COFORMER 1	COFORMER 2	SOURCE	Smiles[1]	Smiles[2]	AM1_dipole[1]	AM1_dipole[2]	AM1_E[1]	AM1_E[2]	AM1_Eele[1]	AM1_Eele[2]	AM1_HF[1]	AM1_HF[2]	AM1_HOMO[1]	AM1_HOMO[2]	AM1_IP[1]	AM1_IP[2]	AM1_LUMO[1]	AM1_LUMO[2]	apol[1]	apol[2]	ASA[1]	ASA[2]	ASA+[1]	ASA+[2]	ASA-[1]	ASA-[2]	ASA_H[1]	ASA_H[2]	ASA_P[1]	ASA_P[2]	ast_fraglike[1]	ast_fraglike[2]	ast_fraglike_ext[1]	ast_fraglike_ext[2]	ast_violation[1]	ast_violation[2]	ast_violation_ext[1]	ast_violation_ext[2]	a_acc[1]	a_acc[2]	a_acid[1]	a_acid[2]	a_aro[1]	a_aro[2]	a_base[1]	a_base[2]	a_count[1]	a_count[2]	a_don[1]	a_don[2]	a_donacc[1]	a_donacc[2]	a_heavy[1]	a_heavy[2]	a_hyd[1]	a_hyd[2]	a_IC[1]	a_IC[2]	a_ICM[1]	a_ICM[2]	a_nB[1]	a_nB[2]	a_nBr[1]	a_nBr[2]	a_nC[1]	a_nC[2]	a_nCl[1]	a_nCl[2]	a_nF[1]	a_nF[2]	a_nH[1]	a_nH[2]	a_nI[1]	a_nI[2]	a_nN[1]	a_nN[2]	a_nO[1]	a_nO[2]	a_nP[1]	a_nP[2]	a_nS[1]	a_nS[2]	balabanJ[1]	balabanJ[2]	BCUT_PEOE_0[1]	BCUT_PEOE_0[2]	BCUT_PEOE_1[1]	BCUT_PEOE_1[2]	BCUT_PEOE_2[1]	BCUT_PEOE_2[2]	BCUT_PEOE_3[1]	BCUT_PEOE_3[2]	BCUT_SLOGP_0[1]	BCUT_SLOGP_0[2]	BCUT_SLOGP_1[1]	BCUT_SLOGP_1[2]	BCUT_SLOGP_2[1]	BCUT_SLOGP_2[2]	BCUT_SLOGP_3[1]	BCUT_SLOGP_3[2]	BCUT_SMR_0[1]	BCUT_SMR_0[2]	BCUT_SMR_1[1]	BCUT_SMR_1[2]	BCUT_SMR_2[1]	BCUT_SMR_2[2]	BCUT_SMR_3[1]	BCUT_SMR_3[2]	bpol[1]	bpol[2]	b_1rotN[1]	b_1rotN[2]	b_1rotR[1]	b_1rotR[2]	b_ar[1]	b_ar[2]	b_count[1]	b_count[2]	b_double[1]	b_double[2]	b_heavy[1]	b_heavy[2]	b_max1len[1]	b_max1len[2]	b_rotN[1]	b_rotN[2]	b_rotR[1]	b_rotR[2]	b_single[1]	b_single[2]	b_triple[1]	b_triple[2]	CASA+[1]	CASA+[2]	CASA-[1]	CASA-[2]	chi0[1]	chi0[2]	chi0v[1]	chi0v[2]	chi0v_C[1]	chi0v_C[2]	chi0_C[1]	chi0_C[2]	chi1[1]	chi1[2]	chi1v[1]	chi1v[2]	chi1v_C[1]	chi1v_C[2]	chi1_C[1]	chi1_C[2]	chiral[1]	chiral[2]	chiral_u[1]	chiral_u[2]	DASA[1]	DASA[2]	DCASA[1]	DCASA[2]	dens[1]	dens[2]	density[1]	density[2]	diameter[1]	diameter[2]	dipole[1]	dipole[2]	dipoleX[1]	dipoleX[2]	dipoleY[1]	dipoleY[2]	dipoleZ[1]	dipoleZ[2]	E[1]	E[2]	E_ang[1]	E_ang[2]	E_ele[1]	E_ele[2]	E_nb[1]	E_nb[2]	E_oop[1]	E_oop[2]	E_rele[1]	E_rele[2]	E_rnb[1]	E_rnb[2]	E_rsol[1]	E_rsol[2]	E_rvdw[1]	E_rvdw[2]	E_sol[1]	E_sol[2]	E_stb[1]	E_stb[2]	E_str[1]	E_str[2]	E_strain[1]	E_strain[2]	E_tor[1]	E_tor[2]	E_vdw[1]	E_vdw[2]	FASA+[1]	FASA+[2]	FASA-[1]	FASA-[2]	FASA_H[1]	FASA_H[2]	FASA_P[1]	FASA_P[2]	FCASA+[1]	FCASA+[2]	FCASA-[1]	FCASA-[2]	FCharge[1]	FCharge[2]	GCUT_PEOE_0[1]	GCUT_PEOE_0[2]	GCUT_PEOE_1[1]	GCUT_PEOE_1[2]	GCUT_PEOE_2[1]	GCUT_PEOE_2[2]	GCUT_PEOE_3[1]	GCUT_PEOE_3[2]	GCUT_SLOGP_0[1]	GCUT_SLOGP_0[2]	GCUT_SLOGP_1[1]	GCUT_SLOGP_1[2]	GCUT_SLOGP_2[1]	GCUT_SLOGP_2[2]	GCUT_SLOGP_3[1]	GCUT_SLOGP_3[2]	GCUT_SMR_0[1]	GCUT_SMR_0[2]	GCUT_SMR_1[1]	GCUT_SMR_1[2]	GCUT_SMR_2[1]	GCUT_SMR_2[2]	GCUT_SMR_3[1]	GCUT_SMR_3[2]	glob[1]	glob[2]	h_ema[1]	h_ema[2]	h_emd[1]	h_emd[2]	h_emd_C[1]	h_emd_C[2]	h_logD[1]	h_logD[2]	h_logP[1]	h_logP[2]	h_logS[1]	h_logS[2]	h_log_dbo[1]	h_log_dbo[2]	h_log_pbo[1]	h_log_pbo[2]	h_mr[1]	h_mr[2]	h_pavgQ[1]	h_pavgQ[2]	h_pKa[1]	h_pKa[2]	h_pKb[1]	h_pKb[2]	h_pstates[1]	h_pstates[2]	h_pstrain[1]	h_pstrain[2]	Kier1[1]	Kier1[2]	Kier2[1]	Kier2[2]	Kier3[1]	Kier3[2]	KierA1[1]	KierA1[2]	KierA2[1]	KierA2[2]	KierA3[1]	KierA3[2]	KierFlex[1]	KierFlex[2]	lip_acc[1]	lip_acc[2]	lip_don[1]	lip_don[2]	lip_druglike[1]	lip_druglike[2]	lip_violation[1]	lip_violation[2]	logP(o/w)[1]	logP(o/w)[2]	logS[1]	logS[2]	MNDO_dipole[1]	MNDO_dipole[2]	MNDO_E[1]	MNDO_E[2]	MNDO_Eele[1]	MNDO_Eele[2]	MNDO_HF[1]	MNDO_HF[2]	MNDO_HOMO[1]	MNDO_HOMO[2]	MNDO_IP[1]	MNDO_IP[2]	MNDO_LUMO[1]	MNDO_LUMO[2]	mr[1]	mr[2]	mutagenic[1]	mutagenic[2]	nmol[1]	nmol[2]	npr1[1]	npr1[2]	npr2[1]	npr2[2]	opr_brigid[1]	opr_brigid[2]	opr_leadlike[1]	opr_leadlike[2]	opr_nring[1]	opr_nring[2]	opr_nrot[1]	opr_nrot[2]	opr_violation[1]	opr_violation[2]	PC+[1]	PC+[2]	PC-[1]	PC-[2]	PEOE_PC+[1]	PEOE_PC+[2]	PEOE_PC-[1]	PEOE_PC-[2]	PEOE_RPC+[1]	PEOE_RPC+[2]	PEOE_RPC-[1]	PEOE_RPC-[2]	PEOE_VSA+0[1]	PEOE_VSA+0[2]	PEOE_VSA+1[1]	PEOE_VSA+1[2]	PEOE_VSA+2[1]	PEOE_VSA+2[2]	PEOE_VSA+3[1]	PEOE_VSA+3[2]	PEOE_VSA+4[1]	PEOE_VSA+4[2]	PEOE_VSA+5[1]	PEOE_VSA+5[2]	PEOE_VSA+6[1]	PEOE_VSA+6[2]	PEOE_VSA-0[1]	PEOE_VSA-0[2]	PEOE_VSA-1[1]	PEOE_VSA-1[2]	PEOE_VSA-2[1]	PEOE_VSA-2[2]	PEOE_VSA-3[1]	PEOE_VSA-3[2]	PEOE_VSA-4[1]	PEOE_VSA-4[2]	PEOE_VSA-5[1]	PEOE_VSA-5[2]	PEOE_VSA-6[1]	PEOE_VSA-6[2]	PEOE_VSA_FHYD[1]	PEOE_VSA_FHYD[2]	PEOE_VSA_FNEG[1]	PEOE_VSA_FNEG[2]	PEOE_VSA_FPNEG[1]	PEOE_VSA_FPNEG[2]	PEOE_VSA_FPOL[1]	PEOE_VSA_FPOL[2]	PEOE_VSA_FPOS[1]	PEOE_VSA_FPOS[2]	PEOE_VSA_FPPOS[1]	PEOE_VSA_FPPOS[2]	PEOE_VSA_HYD[1]	PEOE_VSA_HYD[2]	PEOE_VSA_NEG[1]	PEOE_VSA_NEG[2]	PEOE_VSA_PNEG[1]	PEOE_VSA_PNEG[2]	PEOE_VSA_POL[1]	PEOE_VSA_POL[2]	PEOE_VSA_POS[1]	PEOE_VSA_POS[2]	PEOE_VSA_PPOS[1]	PEOE_VSA_PPOS[2]	petitjean[1]	petitjean[2]	petitjeanSC[1]	petitjeanSC[2]	PM3_dipole[1]	PM3_dipole[2]	PM3_E[1]	PM3_E[2]	PM3_Eele[1]	PM3_Eele[2]	PM3_HF[1]	PM3_HF[2]	PM3_HOMO[1]	PM3_HOMO[2]	PM3_IP[1]	PM3_IP[2]	PM3_LUMO[1]	PM3_LUMO[2]	pmi[1]	pmi[2]	pmi1[1]	pmi1[2]	pmi2[1]	pmi2[2]	pmi3[1]	pmi3[2]	pmiX[1]	pmiX[2]	pmiY[1]	pmiY[2]	pmiZ[1]	pmiZ[2]	pro_app_charge[1]	pro_app_charge[2]	pro_asa_hph[1]	pro_asa_hph[2]	pro_asa_hyd[1]	pro_asa_hyd[2]	pro_asa_vdw[1]	pro_asa_vdw[2]	pro_coeff_280[1]	pro_coeff_280[2]	pro_coeff_diff[1]	pro_coeff_diff[2]	pro_coeff_fric[1]	pro_coeff_fric[2]	pro_debye[1]	pro_debye[2]	pro_dipole_moment[1]	pro_dipole_moment[2]	pro_eccen[1]	pro_eccen[2]	pro_helicity[1]	pro_helicity[2]	pro_henry[1]	pro_henry[2]	pro_hyd_moment[1]	pro_hyd_moment[2]	pro_mass[1]	pro_mass[2]	pro_mobility[1]	pro_mobility[2]	pro_net_charge[1]	pro_net_charge[2]	pro_patch_cdr_hyd[1]	pro_patch_cdr_hyd[2]	pro_patch_cdr_hyd_1[1]	pro_patch_cdr_hyd_1[2]	pro_patch_cdr_hyd_2[1]	pro_patch_cdr_hyd_2[2]	pro_patch_cdr_hyd_3[1]	pro_patch_cdr_hyd_3[2]	pro_patch_cdr_hyd_4[1]	pro_patch_cdr_hyd_4[2]	pro_patch_cdr_hyd_5[1]	pro_patch_cdr_hyd_5[2]	pro_patch_cdr_hyd_n[1]	pro_patch_cdr_hyd_n[2]	pro_patch_cdr_ion[1]	pro_patch_cdr_ion[2]	pro_patch_cdr_ion_1[1]	pro_patch_cdr_ion_1[2]	pro_patch_cdr_ion_2[1]	pro_patch_cdr_ion_2[2]	pro_patch_cdr_ion_3[1]	pro_patch_cdr_ion_3[2]	pro_patch_cdr_ion_4[1]	pro_patch_cdr_ion_4[2]	pro_patch_cdr_ion_5[1]	pro_patch_cdr_ion_5[2]	pro_patch_cdr_ion_n[1]	pro_patch_cdr_ion_n[2]	pro_patch_cdr_neg[1]	pro_patch_cdr_neg[2]	pro_patch_cdr_neg_1[1]	pro_patch_cdr_neg_1[2]	pro_patch_cdr_neg_2[1]	pro_patch_cdr_neg_2[2]	pro_patch_cdr_neg_3[1]	pro_patch_cdr_neg_3[2]	pro_patch_cdr_neg_4[1]	pro_patch_cdr_neg_4[2]	pro_patch_cdr_neg_5[1]	pro_patch_cdr_neg_5[2]	pro_patch_cdr_neg_n[1]	pro_patch_cdr_neg_n[2]	pro_patch_cdr_pos[1]	pro_patch_cdr_pos[2]	pro_patch_cdr_pos_1[1]	pro_patch_cdr_pos_1[2]	pro_patch_cdr_pos_2[1]	pro_patch_cdr_pos_2[2]	pro_patch_cdr_pos_3[1]	pro_patch_cdr_pos_3[2]	pro_patch_cdr_pos_4[1]	pro_patch_cdr_pos_4[2]	pro_patch_cdr_pos_5[1]	pro_patch_cdr_pos_5[2]	pro_patch_cdr_pos_n[1]	pro_patch_cdr_pos_n[2]	pro_patch_hyd[1]	pro_patch_hyd[2]	pro_patch_hyd_1[1]	pro_patch_hyd_1[2]	pro_patch_hyd_2[1]	pro_patch_hyd_2[2]	pro_patch_hyd_3[1]	pro_patch_hyd_3[2]	pro_patch_hyd_4[1]	pro_patch_hyd_4[2]	pro_patch_hyd_5[1]	pro_patch_hyd_5[2]	pro_patch_hyd_n[1]	pro_patch_hyd_n[2]	pro_patch_ion[1]	pro_patch_ion[2]	pro_patch_ion_1[1]	pro_patch_ion_1[2]	pro_patch_ion_2[1]	pro_patch_ion_2[2]	pro_patch_ion_3[1]	pro_patch_ion_3[2]	pro_patch_ion_4[1]	pro_patch_ion_4[2]	pro_patch_ion_5[1]	pro_patch_ion_5[2]	pro_patch_ion_n[1]	pro_patch_ion_n[2]	pro_patch_neg[1]	pro_patch_neg[2]	pro_patch_neg_1[1]	pro_patch_neg_1[2]	pro_patch_neg_2[1]	pro_patch_neg_2[2]	pro_patch_neg_3[1]	pro_patch_neg_3[2]	pro_patch_neg_4[1]	pro_patch_neg_4[2]	pro_patch_neg_5[1]	pro_patch_neg_5[2]	pro_patch_neg_n[1]	pro_patch_neg_n[2]	pro_patch_pos[1]	pro_patch_pos[2]	pro_patch_pos_1[1]	pro_patch_pos_1[2]	pro_patch_pos_2[1]	pro_patch_pos_2[2]	pro_patch_pos_3[1]	pro_patch_pos_3[2]	pro_patch_pos_4[1]	pro_patch_pos_4[2]	pro_patch_pos_5[1]	pro_patch_pos_5[2]	pro_patch_pos_n[1]	pro_patch_pos_n[2]	pro_pI_3D[1]	pro_pI_3D[2]	pro_pI_seq[1]	pro_pI_seq[2]	pro_r_gyr[1]	pro_r_gyr[2]	pro_r_solv[1]	pro_r_solv[2]	pro_sed_const[1]	pro_sed_const[2]	pro_volume[1]	pro_volume[2]	pro_zdipole[1]	pro_zdipole[2]	pro_zeta[1]	pro_zeta[2]	pro_zquadrupole[1]	pro_zquadrupole[2]	Q_PC+[1]	Q_PC+[2]	Q_PC-[1]	Q_PC-[2]	Q_RPC+[1]	Q_RPC+[2]	Q_RPC-[1]	Q_RPC-[2]	Q_VSA_FHYD[1]	Q_VSA_FHYD[2]	Q_VSA_FNEG[1]	Q_VSA_FNEG[2]	Q_VSA_FPNEG[1]	Q_VSA_FPNEG[2]	Q_VSA_FPOL[1]	Q_VSA_FPOL[2]	Q_VSA_FPOS[1]	Q_VSA_FPOS[2]	Q_VSA_FPPOS[1]	Q_VSA_FPPOS[2]	Q_VSA_HYD[1]	Q_VSA_HYD[2]	Q_VSA_NEG[1]	Q_VSA_NEG[2]	Q_VSA_PNEG[1]	Q_VSA_PNEG[2]	Q_VSA_POL[1]	Q_VSA_POL[2]	Q_VSA_POS[1]	Q_VSA_POS[2]	Q_VSA_PPOS[1]	Q_VSA_PPOS[2]	radius[1]	radius[2]	reactive[1]	reactive[2]	rgyr[1]	rgyr[2]	rings[1]	rings[2]	RPC+[1]	RPC+[2]	RPC-[1]	RPC-[2]	rsynth[1]	rsynth[2]	SlogP[1]	SlogP[2]	SlogP_VSA0[1]	SlogP_VSA0[2]	SlogP_VSA1[1]	SlogP_VSA1[2]	SlogP_VSA2[1]	SlogP_VSA2[2]	SlogP_VSA3[1]	SlogP_VSA3[2]	SlogP_VSA4[1]	SlogP_VSA4[2]	SlogP_VSA5[1]	SlogP_VSA5[2]	SlogP_VSA6[1]	SlogP_VSA6[2]	SlogP_VSA7[1]	SlogP_VSA7[2]	SlogP_VSA8[1]	SlogP_VSA8[2]	SlogP_VSA9[1]	SlogP_VSA9[2]	SMR[1]	SMR[2]	SMR_VSA0[1]	SMR_VSA0[2]	SMR_VSA1[1]	SMR_VSA1[2]	SMR_VSA2[1]	SMR_VSA2[2]	SMR_VSA3[1]	SMR_VSA3[2]	SMR_VSA4[1]	SMR_VSA4[2]	SMR_VSA5[1]	SMR_VSA5[2]	SMR_VSA6[1]	SMR_VSA6[2]	SMR_VSA7[1]	SMR_VSA7[2]	std_dim1[1]	std_dim1[2]	std_dim2[1]	std_dim2[2]	std_dim3[1]	std_dim3[2]	TPSA[1]	TPSA[2]	VAdjEq[1]	VAdjEq[2]	VAdjMa[1]	VAdjMa[2]	VDistEq[1]	VDistEq[2]	VDistMa[1]	VDistMa[2]	vdw_area[1]	vdw_area[2]	vdw_vol[1]	vdw_vol[2]	vol[1]	vol[2]	VSA[1]	VSA[2]	vsa_acc[1]	vsa_acc[2]	vsa_acid[1]	vsa_acid[2]	vsa_base[1]	vsa_base[2]	vsa_don[1]	vsa_don[2]	vsa_hyd[1]	vsa_hyd[2]	vsa_other[1]	vsa_other[2]	vsa_pol[1]	vsa_pol[2]	vsurf_A[1]	vsurf_A[2]	vsurf_CP[1]	vsurf_CP[2]	vsurf_CW1[1]	vsurf_CW1[2]	vsurf_CW2[1]	vsurf_CW2[2]	vsurf_CW3[1]	vsurf_CW3[2]	vsurf_CW4[1]	vsurf_CW4[2]	vsurf_CW5[1]	vsurf_CW5[2]	vsurf_CW6[1]	vsurf_CW6[2]	vsurf_CW7[1]	vsurf_CW7[2]	vsurf_CW8[1]	vsurf_CW8[2]	vsurf_D1[1]	vsurf_D1[2]	vsurf_D2[1]	vsurf_D2[2]	vsurf_D3[1]	vsurf_D3[2]	vsurf_D4[1]	vsurf_D4[2]	vsurf_D5[1]	vsurf_D5[2]	vsurf_D6[1]	vsurf_D6[2]	vsurf_D7[1]	vsurf_D7[2]	vsurf_D8[1]	vsurf_D8[2]	vsurf_DD12[1]	vsurf_DD12[2]	vsurf_DD13[1]	vsurf_DD13[2]	vsurf_DD23[1]	vsurf_DD23[2]	vsurf_DW12[1]	vsurf_DW12[2]	vsurf_DW13[1]	vsurf_DW13[2]	vsurf_DW23[1]	vsurf_DW23[2]	vsurf_EDmin1[1]	vsurf_EDmin1[2]	vsurf_EDmin2[1]	vsurf_EDmin2[2]	vsurf_EDmin3[1]	vsurf_EDmin3[2]	vsurf_EWmin1[1]	vsurf_EWmin1[2]	vsurf_EWmin2[1]	vsurf_EWmin2[2]	vsurf_EWmin3[1]	vsurf_EWmin3[2]	vsurf_G[1]	vsurf_G[2]	vsurf_HB1[1]	vsurf_HB1[2]	vsurf_HB2[1]	vsurf_HB2[2]	vsurf_HB3[1]	vsurf_HB3[2]	vsurf_HB4[1]	vsurf_HB4[2]	vsurf_HB5[1]	vsurf_HB5[2]	vsurf_HB6[1]	vsurf_HB6[2]	vsurf_HB7[1]	vsurf_HB7[2]	vsurf_HB8[1]	vsurf_HB8[2]	vsurf_HL1[1]	vsurf_HL1[2]	vsurf_HL2[1]	vsurf_HL2[2]	vsurf_ID1[1]	vsurf_ID1[2]	vsurf_ID2[1]	vsurf_ID2[2]	vsurf_ID3[1]	vsurf_ID3[2]	vsurf_ID4[1]	vsurf_ID4[2]	vsurf_ID5[1]	vsurf_ID5[2]	vsurf_ID6[1]	vsurf_ID6[2]	vsurf_ID7[1]	vsurf_ID7[2]	vsurf_ID8[1]	vsurf_ID8[2]	vsurf_IW1[1]	vsurf_IW1[2]	vsurf_IW2[1]	vsurf_IW2[2]	vsurf_IW3[1]	vsurf_IW3[2]	vsurf_IW4[1]	vsurf_IW4[2]	vsurf_IW5[1]	vsurf_IW5[2]	vsurf_IW6[1]	vsurf_IW6[2]	vsurf_IW7[1]	vsurf_IW7[2]	vsurf_IW8[1]	vsurf_IW8[2]	vsurf_R[1]	vsurf_R[2]	vsurf_S[1]	vsurf_S[2]	vsurf_V[1]	vsurf_V[2]	vsurf_W1[1]	vsurf_W1[2]	vsurf_W2[1]	vsurf_W2[2]	vsurf_W3[1]	vsurf_W3[2]	vsurf_W4[1]	vsurf_W4[2]	vsurf_W5[1]	vsurf_W5[2]	vsurf_W6[1]	vsurf_W6[2]	vsurf_W7[1]	vsurf_W7[2]	vsurf_W8[1]	vsurf_W8[2]	vsurf_Wp1[1]	vsurf_Wp1[2]	vsurf_Wp2[1]	vsurf_Wp2[2]	vsurf_Wp3[1]	vsurf_Wp3[2]	vsurf_Wp4[1]	vsurf_Wp4[2]	vsurf_Wp5[1]	vsurf_Wp5[2]	vsurf_Wp6[1]	vsurf_Wp6[2]	vsurf_Wp7[1]	vsurf_Wp7[2]	vsurf_Wp8[1]	vsurf_Wp8[2]	Weight[1]	Weight[2]	weinerPath[1]	weinerPath[2]	weinerPol[1]	weinerPol[2]	zagreb[1]	zagreb[2]
Artemisinin	Nicotinamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1cnccc1	3.8050928	4.8440557	-88182.25	-36547.211	-667016.75	-151481.92	-154.65057	-5.6299901	-10.56012	-10.21356	10.56012	10.21356	0.87564999	-0.53390002	45.079445	17.562757	456.67719	287.13	0	0	0	0	456.67719	287.13	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	15	0	1	4	3	20	9	12	5	58.156837	25.583809	1.3846866	1.7055873	0	0	0	0	15	6	0	0	0	0	22	6	0	0	0	2	5	1	0	0	0	0	1.8182865	2.2906082	-2.8763011	-2.1589699	-0.46847317	-0.62381202	0.48142555	0.68211764	2.9546874	2.1664906	-2.9138391	-2.4583852	-0.40296918	-0.56439537	0.52481794	0.71842331	2.9398463	2.1893809	-2.6583734	-1.8447622	-0.33618459	-0.46526816	0.60764611	0.83030713	3.1623287	2.4712925	30.756554	8.1772423	0	1	0	0.11111111	0	6	45	15	1	1	23	9	3	2	0	1	0	0.11111111	44	8	0	0	0	0	0	0	14.120955	6.6902347	12.25642	4.7422132	10.215178	3.309401	10.292529	3.9831276	9.4617796	4.3045306	7.713058	2.5032139	6.0543661	1.4940169	6.0990243	2.1498299	7	0	7	0	0	0	0	0	1.0725014	1.0438205	0.76930565	0.76294214	7	5	0	0	0	0	0	0	0	0	67.720932	2.1806922	15.392588	1.8031515	-3.2059937	-15.657108	10.423069	-10.385981	0.004222634	3.56E-14	0	0	2.59E+12	5.67E+13	-9.7782021	-0.86210203	2.59E+12	5.67E+13	-3.9392874	-16.605875	0	0	8.5961571	5.5696397	13.212008	5.1829023	33.304897	5.193882	13.629063	5.2711272	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81681919	-0.38651478	-0.40731949	-0.01928976	0.11174672	3.1303203	1.91699	-0.89714968	-1.3703494	-0.31035468	-0.32095507	-0.002505066	0.17140639	3.1423492	1.9537442	-0.53425395	-0.42865223	-0.21040775	-0.21854979	0.10722204	0.22733672	3.3267074	2.2028608	0.21797732	0	6.1551886	3.9407897	6.7819748	6.7967381	6.7819748	2.1418805	0.72404015	0.27291435	0.72404015	0.2737259	-2.328289	-1.0169427	0	0	0.95388722	4.265945	7.165029	3.4637413	0	0.001891031	14	14	14	9.7224798	1	1.0138421	0	0.001128433	13.648394	7.1111112	4.2631578	3.2396693	1.6952908	2	13.022482	4.2856274	4.0571489	1.8080455	1.6103241	1.0337174	2.6417074	0.86095661	5	3	0	2	1	1	0	0	3.582	-0.384	-3.4716799	-0.37886	3.2725534	4.6365943	-88505.227	-36619.691	-655666.63	-151000.75	-124.02571	-3.0801301	-10.87649	-10.03063	10.87649	10.03063	0.70187002	-0.69957	7.0486565	3.4348791	0	0	1	1	0.54197603	0.23988311	0.76507992	0.76011688	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.98551351	-1.578668	-0.98551351	0.169572	0.25465542	0.19891214	0.37119555	98.274422	33.491833	4.2653861	19.270084	0	0	0	17.238026	12.263453	0	14.708499	12.949531	0	0	44.851616	24.509808	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	19.249496	2.503756	6.6511192	0.78448415	0.70868194	0.47116494	0.37800288	0.10538135	0.19421594	0.21551585	0.29131806	0.52883506	0.62199712	0.1101345	0.097102135	192.12025	94.50975	115.38834	50.410423	25.807903	25.900616	52.779854	38.850147	129.51176	82.949471	26.971952	12.949531	0.42857143	0.40000001	0.75	0.66666669	3.6450274	4.7397022	-82636.43	-32771.039	-653627.19	-145999.69	-158.23212	-6.7729001	-10.78035	-9.90623	10.78035	9.90623	-0.15042999	-0.71257001	2210.6523	542.41687	1038.6576	130.11665	1466.22	412.30026	1916.4272	542.41687	1121.4878	197.73007	776.37323	344.68683	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	133.35989	0	0	0	0	0	0	244.9001	133.35989	0	0	4	3	1	0	2.7981894	2.1074669	4	1	0	0	0	0	0.1	0.55555558	2.3949001	0.1805	0	32.897186	7.7454643	22.044313	81.819725	0	0	0	17.643185	27.047791	0	0	0	0	0	69.71508	75.473625	0	99.978043	0	6.8046999	3.27549	73.293228	23.862217	0	16.78553	17.643185	0	8.5265026	3.185575	0	32.897186	75.473625	69.71508	7.7454643	5.2587838	99.978043	0	2.4099162	2.0420659	1.8617485	1.3025495	1.1251426	0	53.990002	55.98	0.51481563	0.7642045	5.523562	4.1699252	2.5399911	2.1498685	8.4195395	6.0047355	244.9001	133.35989	367.00107	160.07373	263.25	117	281.14902	140.42427	30.537619	19.249496	0	0	0	0	0	17.742489	160.29349	74.424538	33.029301	12.949531	30.537619	36.991985	5.3953252	3.612499	0.23970899	0.12377411	2.6517773	3.1890612	1.7756623	2.6258137	0.80558389	1.7104517	0.39811906	0.82549554	0.18423676	0.39533731	0.050205711	0.1482152	0.004379716	0.046091057	0	0.008380407	578.125	355.625	340.375	204	271.25	144.875	245	123.125	218.5	105.625	157.125	83.875	79.625	55.125	31.75	32.75	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.1149278	-2.2559736	-2.1048591	-2.2545061	-2.0799923	-5.4111814	-6.5161648	-5.3114209	-6.3657374	-5.095974	-6.2265058	1.2020918	1.1464545	230.75	201.25	274.625	234.25	173.75	169.375	66.125	66.875	24.25	29.25	5.75	9.5	0.5	3.125	0	0.75	0.089400925	0.24158758	0.023469388	0.082233503	1.1877036	1.2038836	1.0598711	1.099201	1.0759208	1.2631916	1.2929488	1.4756734	1.5141792	1.5990992	1.8226515	1.5005269	1.5276124	0.68904907	1.2021793	0.50602162	0.81477576	0.5398705	2.2796693	1.2330121	3.7727251	1.7755965	4.1858115	2.220608	4.3511286	2.3615866	4.5800614	2.9910653	5.3393946	4.9012961	0	5.0911222	1.4401109	1.2177508	407.4339	252.72003	586.75	307.75	831.625	743.75	411	462.375	177.75	235	66.125	86.25	24.25	35	5.75	10.125	0.5	3.125	0	0.75	600.875	542.5	136.375	228.125	4	65.625	0	19.375	0	5.75	0	0.625	0	0	0	0	282.336	122.127	627	88	48	9	122	40
Artemisinin	Isonicotinamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1ccncc1	3.8050928	3.1545868	-88182.25	-36546.145	-667016.75	-151345.59	-154.65057	-4.5694799	-10.56012	-10.21976	10.56012	10.21976	0.87564999	-0.51112998	45.079445	17.562757	456.67719	287.94858	0	0	0	0	456.67719	287.94858	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	15	0	1	4	3	20	9	12	5	58.156837	25.583809	1.3846866	1.7055873	0	0	0	0	15	6	0	0	0	0	22	6	0	0	0	2	5	1	0	0	0	0	1.8182865	2.2906082	-2.8763011	-2.1626735	-0.46847317	-0.64675891	0.48142555	0.70923918	2.9546874	2.1680353	-2.9138391	-2.4582243	-0.40296918	-0.58549821	0.52481794	0.73035002	2.9398463	2.1906376	-2.6583734	-1.8471736	-0.33618459	-0.48682365	0.60764611	0.86233366	3.1623287	2.4756575	30.756554	8.1772423	0	1	0	0.11111111	0	6	45	15	1	1	23	9	3	2	0	1	0	0.11111111	44	8	0	0	0	0	0	0	14.120955	6.6902347	12.25642	4.7422132	10.215178	3.309401	10.292529	3.9831276	9.4617796	4.3045306	7.713058	2.5032139	6.0543661	1.4940169	6.0990243	2.1498299	7	0	7	0	0	0	0	0	1.0725014	1.0528189	0.76930565	0.76294214	7	5	0	0	0	0	0	0	0	0	67.720932	-5.13521	15.392588	1.8569208	-3.2059937	-22.490772	10.423069	-17.18115	0.004222634	2.81E-14	0	0	2.59E+12	2.21E+12	-9.7782021	-0.82283026	2.59E+12	2.21E+12	-3.9392874	-17.182325	0	0	8.5961571	5.5511127	13.212008	5.5670547	33.304897	4.6379066	13.629063	5.3096232	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81688458	-0.38651478	-0.41175073	-0.01928976	0.11678357	3.1303203	1.9215317	-0.89714968	-1.3703232	-0.31035468	-0.3335329	-0.002505066	0.17726839	3.1423492	1.9581957	-0.53425395	-0.42887276	-0.21040775	-0.22810394	0.10722204	0.23386315	3.3267074	2.2078826	0.21797732	0	6.1551886	3.9632449	6.7819748	6.7784739	6.7819748	2.127924	0.72404015	0.26833132	0.72404015	0.27069318	-2.328289	-1.0127903	0	0	0.95388722	4.2663474	7.165029	3.4637954	0	0.005501278	14	14	14	9.2571411	1	1.0346963	0	0.003288722	13.648394	7.1111112	4.2631578	3.2396693	1.6952908	2	13.022482	4.2856274	4.0571489	1.8080455	1.6103241	1.0337174	2.6417074	0.86095661	5	3	0	2	1	1	0	0	3.582	-0.38299999	-3.4716799	-0.37886	3.2725534	2.9759419	-88505.227	-36622.426	-655666.63	-150930.77	-124.02571	-5.90412	-10.87649	-10.00198	10.87649	10.00198	0.70187002	-0.50810999	7.0486565	3.4348791	0	0	1	1	0.54197603	0.2379508	0.76507992	0.7620492	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.95946878	-1.578668	-0.95946878	0.169572	0.26013952	0.19891214	0.38131279	98.274422	35.700371	4.2653861	17.061544	0	0	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	24.509808	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	19.249496	2.503756	6.6511192	0.78448415	0.70868194	0.47116494	0.37800288	0.10538135	0.19421594	0.21551585	0.29131806	0.52883506	0.62199712	0.1101345	0.097102135	192.12025	94.50975	115.38834	50.410423	25.807903	25.900616	52.779854	38.850147	129.51176	82.949471	26.971952	12.949531	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.9847274	-82636.43	-32770.703	-653627.19	-145947.98	-158.23212	-6.4352298	-10.78035	-9.9619398	10.78035	9.9619398	-0.15042999	-0.71767998	2210.6523	545.29352	1038.6576	129.75302	1466.22	415.54047	1916.4272	545.29352	1121.4878	414.22763	776.37323	131.06584	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	133.35989	0	0	0	0	0	0	244.9001	133.35989	0	0	4	3	1	0	2.7981894	2.1130478	4	1	0	0	0	0	0.1	0.22222222	2.3949001	0.1805	0	32.897186	7.7454643	22.044313	81.819725	0	0	0	17.643185	27.047791	0	0	0	0	0	69.71508	75.473625	0	99.978043	0	6.8046999	3.27549	73.293228	23.862217	0	16.78553	17.643185	0	8.5265026	3.185575	0	32.897186	75.473625	69.71508	7.7454643	5.2587838	99.978043	0	2.4099162	1.9654809	1.8617485	1.383481	1.1251426	0	53.990002	55.98	0.51481563	0.7642045	5.523562	4.1699252	2.5399911	2.1498685	8.4195395	6.0047355	244.9001	133.35989	367.00107	160.07373	263.25	116	281.14902	141.16335	30.537619	19.249496	0	0	0	0	0	17.742489	160.29349	74.424538	33.029301	12.949531	30.537619	36.991985	5.3953252	1.8363346	0.23970899	0.12389466	2.6517773	3.1951678	1.7756623	2.728617	0.80558389	1.7559854	0.39811906	0.77794498	0.18423676	0.38342059	0.050205711	0.15781385	0.004379716	0.041431524	0	0.005872347	578.125	357.625	340.375	205.5	271.25	147.375	245	122.375	218.5	102.375	157.125	80.5	79.625	56.375	31.75	33.875	7.228416	0.5	7.1763501	2.0615528	0.5	2	0.70710677	0.5	0.70710677	1.2247449	0.70710677	1.118034	-2.2570698	-2.0988441	-2.2559736	-2.0875463	-2.2545061	-2.0758243	-5.4111814	-6.2950196	-5.3114209	-6.1876097	-5.095974	-6.1370187	1.2020918	1.1453547	230.75	200.375	274.625	241.125	173.75	163.25	66.125	63	24.25	27.625	5.75	10.75	0.5	3	0	0.75	0.089400925	0.22561494	0.023469388	0.091930538	1.1877036	0.5360198	1.0598711	0.51857251	1.0759208	0.59486264	1.2929488	0.69166225	1.5141792	0.69911987	1.8226515	0.63890427	1.5276124	0.4563272	1.2021793	0.59152639	0.81477576	0.087374888	2.2796693	0.36282271	3.7727251	0.68349004	4.1858115	0.96321017	4.3511286	1.2623281	4.5800614	2.3495386	5.3393946	4.7665029	0	5.0637331	1.4401109	1.2199094	407.4339	252.88762	586.75	308.5	831.625	745.25	411	469.75	177.75	230.125	66.125	82.875	24.25	33.25	5.75	11.25	0.5	3	0	0.75	600.875	544.875	136.375	228.625	4	66.875	0	19.875	0	5.625	0	0.5	0	0	0	0	282.336	122.127	627	88	48	9	122	40
Artemisinin	4,4'-bipyridine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	c1(-c2ccncc2)ccncc1	3.8050928	0.001	-88182.25	-41582.195	-667016.75	-209023.16	-154.65057	68.084457	-10.56012	-10.07994	10.56012	10.07994	0.87564999	-0.59881002	45.079445	25.134344	456.67719	351.04904	0	0	0	0	456.67719	351.04904	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	12	0	0	42	20	0	0	4	2	20	12	12	10	58.156837	27.21928	1.3846866	1.3609641	0	0	0	0	15	10	0	0	0	0	22	8	0	0	0	2	5	0	0	0	0	0	1.8182865	1.829927	-2.8763011	-2.2026258	-0.46847317	-0.62265533	0.48142555	0.7213912	2.9546874	2.1673689	-2.9138391	-2.0326467	-0.40296918	-0.53807992	0.52481794	0.80591482	2.9398463	2.3599093	-2.6583734	-1.8658352	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.5094316	30.756554	11.385656	0	1	0	0.07692308	0	12	45	21	1	0	23	13	3	1	0	1	0	0.07692308	44	9	0	0	0	0	0	0	14.120955	8.2257681	12.25642	6.5132294	10.215178	5.6188021	10.292529	6.8115549	9.4617796	5.9663267	7.713058	3.7708294	6.0543661	2.7380338	6.0990243	3.9663265	7	0	7	0	0	0	0	0	1.0725014	0.9596805	0.76930565	0.69203836	7	7	0	0	0	0	0	0	0	0	67.720932	10.90208	15.392588	3.0325942	-3.2059937	-9.5322781	10.423069	-1.5757165	0.004222634	6.11E-05	0	0	2.59E+12	1.57E+08	-9.7782021	-0.95088822	2.59E+12	1.57E+08	-3.9392874	-13.650018	0	0	8.5961571	7.4492712	13.212008	5.6036644	33.304897	1.9958699	13.629063	7.9565611	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75213075	-0.38651478	-0.35712081	-0.01928976	0.09636227	3.1303203	2.1152592	-0.89714968	-0.72525668	-0.31035468	-0.26386139	-0.002505066	0.16445385	3.1423492	2.2759559	-0.53425395	-0.40572703	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.4297993	0.21797732	0.045170281	6.1551886	4.1471233	6.7819748	3.3805799	6.7819748	3.3805799	0.72404015	2.0066223	0.72404015	2.033978	-2.328289	-2.5772731	0	0	0.95388722	6.3168888	7.165029	4.8670769	0	0.062249959	14	14	14	8.1810503	1	1.2635957	0	0.038180292	13.648394	8.5917158	4.2631578	4.296875	1.6952908	2.25	13.022482	5.3706241	4.0571489	2.5553384	1.6103241	1.2859687	2.6417074	1.1436468	5	2	0	0	1	1	0	0	3.582	1.402	-3.4716799	-1.29498	3.2725534	0.18914808	-88505.227	-41616.898	-655666.63	-208141.09	-124.02571	62.065578	-10.87649	-9.84128	10.87649	9.84128	0.70187002	-0.48436999	7.0486565	4.9122615	0	0	1	1	0.54197603	0.16444288	0.76507992	0.87169641	19	12	1	1	4	2	1	1	0	0	0	0	0	0	1.578668	0.69979686	-1.578668	-0.69979686	0.169572	0.11853687	0.19891214	0.37613976	98.274422	66.983665	4.2653861	34.123089	0	0	0	0	12.263453	0	14.708499	0	0	0	44.851616	53.436695	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	11.365152	2.503756	0	0.78448415	0.93149751	0.47116494	0.39058763	0.10538135	0.068502493	0.21551585	0.068502493	0.52883506	0.60941237	0.1101345	0	192.12025	154.54344	115.38834	64.801849	25.807903	11.365152	52.779854	11.365152	129.51176	101.10675	26.971952	0	0.42857143	0.42857143	0.75	0.75	3.6450274	0.002	-82636.43	-37620.883	-653627.19	-202740.56	-158.23212	62.247051	-10.78035	-10.05942	10.78035	10.05942	-0.15042999	-0.74511999	2210.6523	1078.6625	1038.6576	174.23009	1466.22	923.57751	1916.4272	1059.5173	1121.4878	903.41425	776.37323	141.15398	312.79126	34.094257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	165.9086	0	0	0	0	0	0	244.9001	165.9086	0	0	4	4	1	0	2.7981894	2.6279612	4	2	0	0	0	0	0.1	0.16666667	2.3949001	2.1436	0	0	7.7454643	33.57106	81.819725	0	0	0	17.643185	0	0	0	0	0	0	145.80132	75.473625	0	99.978043	0	6.8046999	4.7467999	73.293228	0	0	33.57106	17.643185	0	8.5265026	0	0	6.37115	75.473625	139.43016	7.7454643	0	99.978043	0	2.4099162	2.4158883	1.8617485	1.461054	1.1251426	0.51345599	53.990002	25.780001	0.51481563	0.68129086	5.523562	4.7004399	2.5399911	2.5500309	8.4195395	6.8458409	244.9001	165.9086	367.00107	225.69269	263.25	162.75	281.14902	182.66962	30.537619	11.365152	0	0	0	0	0	0	160.29349	148.84908	33.029301	0	30.537619	11.365152	5.3953252	0.19694869	0.23970899	0.27579504	2.6517773	2.9714127	1.7756623	2.3835268	0.80558389	0.9470554	0.39811906	0.38167959	0.18423676	0.20736325	0.050205711	0.068712585	0.004379716	4.79E-05	0	0	578.125	557.875	340.375	325.5	271.25	239.25	245	207.25	218.5	184.625	157.125	166.75	79.625	114	31.75	51.125	7.228416	6.9462218	7.1763501	0.5	0.5	6.7082038	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.1682723	-2.2559736	-2.1621931	-2.2545061	-2.1616476	-5.4111814	-5.0188084	-5.3114209	-4.9200706	-5.095974	-4.888772	1.2020918	1.158955	230.75	246.25	274.625	269.375	173.75	147.5	66.125	52.125	24.25	21.875	5.75	5.625	0.5	0.125	0	0	0.089400925	0.091431558	0.023469388	0.027141133	1.1877036	0.008605279	1.0598711	0.049545467	1.0759208	0.062032763	1.2929488	0.080346845	1.5141792	0.098848365	1.8226515	0.090419061	1.5276124	0.12506706	1.2021793	0.053469729	0.81477576	0.009347295	2.2796693	0.024161747	3.7727251	0.020173574	4.1858115	0.14831692	4.3511286	0.16631973	4.5800614	1.2215909	5.3393946	6.6139822	0	0	1.4401109	1.3267037	407.4339	309.88455	586.75	411.125	831.625	812.125	411	424.25	177.75	152	66.125	52.125	24.25	21.875	5.75	5.625	0.5	0.125	0	0	600.875	565.875	136.375	154.875	4	4.5	0	0	0	0	0	0	0	0	0	0	282.336	156.188	627	198	48	14	122	58
Artemisinin	Fumaric acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)/C=C/C(=O)O	3.8050928	0.055036351	-88182.25	-42649.785	-667016.75	-143274.58	-154.65057	-166.25302	-10.56012	-11.66523	10.56012	11.66523	0.87564999	-1.1843801	45.079445	12.915172	456.67719	274.78268	0	0	0	0	456.67719	274.78268	0	0	0	0	0	0	1	2	1	2	4	4	0	0	0	0	0	0	42	12	0	4	4	8	20	8	12	2	58.156837	19.01955	1.3846866	1.5849625	0	0	0	0	15	4	0	0	0	0	22	4	0	0	0	0	5	4	0	0	0	0	1.8182865	3.01139	-2.8763011	-2.0091348	-0.46847317	-0.60566598	0.48142555	0.57764304	2.9546874	2.1177361	-2.9138391	-2.1234715	-0.40296918	-0.56604773	0.52481794	0.561396	2.9398463	2.0407834	-2.6583734	-1.7405318	-0.33618459	-0.40947881	0.60764611	0.71113151	3.1623287	2.382458	30.756554	6.2888279	0	2	0	0.2857143	0	0	45	11	1	3	23	7	3	1	0	2	0	0.2857143	44	8	0	0	0	0	0	0	14.120955	6.5689139	12.25642	3.8656244	10.215178	2.1547005	10.292529	2.5689142	9.4617796	3.6258976	7.713058	1.7661455	6.0543661	0.91068363	6.0990243	1.3164966	7	0	7	0	0	0	0	0	1.0725014	1.2633687	0.76930565	0.9277361	7	5	0	0	0	0	0	0	0	0	67.720932	-30.074915	15.392588	5.8889399	-3.2059937	-54.848225	10.423069	-52.092785	0.004222634	4.07E-14	0	0	2.59E+12	1.11E+10	-9.7782021	-2.6443949	2.59E+12	1.11E+10	-3.9392874	-15.33504	0	0	8.5961571	1.4133197	13.212008	18.95606	33.304897	14.715611	13.629063	2.7554424	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.69823492	-0.38651478	-0.49323711	-0.01928976	0.14313577	3.1303203	1.6859769	-0.89714968	-0.87643945	-0.31035468	-0.45795456	-0.002505066	0.10976067	3.1423492	1.6225802	-0.53425395	-0.40565348	-0.21040775	-0.25004312	0.10722204	0.24794392	3.3267074	1.9330758	0.21797732	0	6.1551886	4.4198661	6.7819748	7.8035707	6.7819748	2.0023739	0.72404015	-0.62778115	0.72404015	-0.20034125	-2.328289	-0.27674231	0	0	0.95388722	3.0383604	7.165029	2.6062317	0	-1.9896269	14	3.8796387	14	14	1	1.0594369	0	7.0078869	13.648394	8	4.2631578	3.9375	1.6952908	7.1999998	13.022482	5.4933701	4.0571489	2.5346303	1.6103241	4.3750858	2.6417074	1.7404579	5	4	0	2	1	1	0	0	3.582	-0.056000002	-3.4716799	-0.088040002	3.2725534	0.32994092	-88505.227	-42828.902	-655666.63	-142883.44	-124.02571	-164.20073	-10.87649	-11.27348	10.87649	11.27348	0.70187002	-0.98351997	7.0486565	2.4818311	0	0	1	1	0.54197603	0.13791189	0.76507992	0.86208808	19	1	1	1	4	0	1	2	0	0	0	0	0	0	1.578668	1.1760144	-1.578668	-1.1760144	0.169572	0.24165575	0.19891214	0.27884647	98.274422	24.509808	4.2653861	8.5307722	0	0	0	0	12.263453	20.648346	14.708499	29.416998	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	15.535081	0.78448415	0.26269624	0.47116494	0.33924845	0.10538135	0.33924845	0.21551585	0.73730373	0.52883506	0.66075152	0.1101345	0.39805529	192.12025	33.040581	115.38834	42.668922	25.807903	42.668922	52.779854	92.734268	129.51176	83.105927	26.971952	50.065342	0.42857143	0.40000001	0.75	0.66666669	3.6450274	0.004582576	-82636.43	-39450.703	-653627.19	-139651.06	-158.23212	-164.87354	-10.78035	-11.52284	10.78035	11.52284	-0.15042999	-1.14289	2210.6523	609.83728	1038.6576	84.103813	1466.22	525.73346	1916.4272	609.83728	1121.4878	474.52957	776.37323	135.30771	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	125.77485	0	0	0	0	0	0	244.9001	125.77485	0	0	4	3	1	0	2.7981894	2.2921512	4	0	0	0	0	0	0.1	0	2.3949001	-0.28819999	0	0	7.7454643	15.490929	81.819725	47.724434	0	50.770454	17.643185	0	0	0	0	0	0	35.286369	75.473625	0	99.978043	0	6.8046999	2.44116	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	0	0	0	75.473625	35.286369	7.7454643	15.490929	99.978043	0	2.4099162	2.2773123	1.8617485	0.89625216	1.1251426	0	53.990002	74.599998	0.51481563	0.75787848	5.523562	3.8073549	2.5399911	2.2623148	8.4195395	5.6119804	244.9001	125.77485	367.00107	125.11316	263.25	91.875	281.14902	124.47218	30.537619	0	0	0	0	0	0	0	160.29349	31.616989	33.029301	29.416998	30.537619	54.267685	5.3953252	0.15241912	0.23970899	0.042823657	2.6517773	3.2886221	1.7756623	2.919759	0.80558389	2.0118423	0.39811906	1.2028234	0.18423676	0.65328866	0.050205711	0.27129084	0.004379716	0.010629786	0	0	578.125	229.75	340.375	126.375	271.25	90.125	245	71.875	218.5	60.25	157.125	49	79.625	32.125	31.75	16.875	7.228416	2.5	7.1763501	2.1213202	0.5	0.5	0.70710677	10.59481	0.70710677	10.440307	0.70710677	0.5	-2.2570698	-1.8225201	-2.2559736	-1.8166306	-2.2545061	-1.8103366	-5.4111814	-5.2789936	-5.3114209	-5.2685728	-5.095974	-5.2497702	1.2020918	1.1791598	230.75	285.375	274.625	367.625	173.75	257.375	66.125	117.625	24.25	51.75	5.75	17.625	0.5	1.125	0	0	0.089400925	0.58945906	0.023469388	0.24695653	1.1877036	0.037306748	1.0598711	0.063281603	1.0759208	0.069497034	1.2929488	0.1757984	1.5141792	0.13086522	1.8226515	0.048133202	1.5276124	0.25151354	1.2021793	0.2915777	0.81477576	0.011959844	2.2796693	0.011035565	3.7727251	0.025447119	4.1858115	0.047987916	4.3511286	0.1090145	4.5800614	0.20335537	5.3393946	0.59077197	0	0	1.4401109	1.1407374	407.4339	241.29131	586.75	275.25	831.625	739.125	411	513.25	177.75	286	66.125	125.375	24.25	53.125	5.75	17.75	0.5	1.125	0	0	600.875	453.75	136.375	145.625	4	28.625	0	7.75	0	1.375	0	0.125	0	0	0	0	282.336	116.072	627	74	48	5	122	30
Artemisinin	Sailcylic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1c(O)cccc1	3.8050928	2.2092648	-88182.25	-44749.195	-667016.75	-188477.86	-154.65057	-113.93039	-10.56012	-9.4849396	10.56012	9.4849396	0.87564999	-0.57546002	45.079445	18.726757	456.67719	297.78552	0	0	0	0	456.67719	297.78552	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	16	0	3	4	6	20	10	12	6	58.156837	24.083853	1.3846866	1.5052408	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	0	5	3	0	0	0	0	1.8182865	2.4522195	-2.8763011	-2.1709793	-0.46847317	-0.62934113	0.48142555	0.68945879	2.9546874	2.1936312	-2.9138391	-2.1012006	-0.40296918	-0.55085629	0.52481794	0.7430222	2.9398463	2.3323722	-2.6583734	-1.8643987	-0.33618459	-0.4516463	0.60764611	0.82462782	3.1623287	2.4917603	30.756554	7.517242	0	1	0	0.1	0	6	45	16	1	1	23	10	3	1	0	1	0	0.1	44	9	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.1120768	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.7152143	7.713058	2.728688	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.1161374	0.76930565	0.80527097	7	5	0	0	0	0	0	0	0	0	67.720932	9.8512259	15.392588	5.6355033	-3.2059937	-14.146286	10.423069	-8.6827421	0.004222634	9.16E-07	0	0	2.59E+12	2.94E+10	-9.7782021	-2.8619123	2.59E+12	2.94E+10	-3.9392874	-11.879991	0	0	8.5961571	3.4456532	13.212008	17.286829	33.304897	9.4528112	13.629063	5.4635439	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75821775	-0.38651478	-0.48944166	-0.01928976	0.15040919	3.1303203	1.9886007	-0.89714968	-0.85426527	-0.31035468	-0.35058248	-0.002505066	0.1821873	3.1423492	2.1185956	-0.53425395	-0.42783704	-0.21040775	-0.23844305	0.10722204	0.25775439	3.3267074	2.2727766	0.21797732	0.017509794	6.1551886	3.0430934	6.7819748	6.6146646	6.7819748	1.6588919	0.72404015	0.64015943	0.72404015	0.90837193	-2.328289	-1.2585945	0	0	0.95388722	4.4170513	7.165029	3.6347482	0	-1.0069259	14	4.9767804	14	14	1	1.1925596	0	2.792654	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	1.9911112	13.022482	5.5951948	4.0571489	2.2441437	1.6103241	1.2599444	2.6417074	1.2556422	5	3	0	2	1	1	0	0	3.582	1.273	-3.4716799	-0.99233001	3.2725534	1.5429585	-88505.227	-44891.316	-655666.63	-187387.88	-124.02571	-114.00329	-10.87649	-9.2571297	10.87649	9.2571297	0.70187002	-0.34658	7.0486565	3.5745182	0	0	1	1	0.54197603	0.34659702	0.76507992	0.69053531	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1435173	-1.578668	-1.1435173	0.169572	0.25686762	0.19891214	0.31399009	98.274422	0	4.2653861	27.728603	0	0	0	0	12.263453	20.648346	14.708499	14.708499	0	0	44.851616	24.509808	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	15.535081	0.78448415	0.54351544	0.47116494	0.55324155	0.10538135	0.20609452	0.21551585	0.45648456	0.52883506	0.44675845	0.1101345	0.25039005	192.12025	76.748222	115.38834	78.12162	25.807903	29.102001	52.779854	64.458847	129.51176	63.085449	26.971952	35.356846	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.0402913	-82636.43	-41581.129	-653627.19	-184630.39	-158.23212	-112.35474	-10.78035	-9.3831501	10.78035	9.3831501	-0.15042999	-0.57612002	2210.6523	630.51788	1038.6576	214.55222	1466.22	427.45859	1916.4272	619.02496	1121.4878	249.78767	776.37323	367.12866	312.79126	13.601581	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	141.20706	0	0	0	0	0	0	244.9001	141.20706	0	0	4	3	1	0	2.7981894	2.1365707	4	1	0	0	0	0	0.1	0.69999999	2.3949001	1.0904	0	25.385227	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	3.5066099	73.293228	23.862217	0	25.385227	17.643185	25.385227	8.5265026	8.4290028	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	1.9955703	1.8617485	1.4570894	1.1251426	0.264063	53.990002	57.529999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.1508632	8.4195395	6.3392239	244.9001	141.20706	367.00107	171.52238	263.25	123.75	281.14902	146.84282	30.537619	0	0	0	0	0	0	0	160.29349	73.901039	33.029301	14.708499	30.537619	40.700764	5.3953252	4.1316624	0.23970899	0.12891091	2.6517773	3.0399685	1.7756623	2.3863378	0.80558389	1.3811328	0.39811906	0.76460892	0.18423676	0.37496516	0.050205711	0.10444269	0.004379716	0.003713427	0	0	578.125	369.625	340.375	202.75	271.25	151.75	245	131.625	218.5	114	157.125	93.375	79.625	50.625	31.75	21	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.1349969	-2.2559736	-2.1030979	-2.2545061	-2.0548558	-5.4111814	-5.5056005	-5.3114209	-5.1245027	-5.095974	-5.0873437	1.2020918	1.1524351	230.75	216.375	274.625	266	173.75	181.875	66.125	79.125	24.25	29	5.75	7.75	0.5	0.375	0	0	0.089400925	0.19686985	0.023469388	0.05887939	1.1877036	1.4700758	1.0598711	1.4189216	1.0759208	1.5765135	1.2929488	1.8721858	1.5141792	2.0826175	1.8226515	1.9935706	1.5276124	1.0258491	1.2021793	0.1923407	0.81477576	0.5624491	2.2796693	1.5517383	3.7727251	2.2290576	4.1858115	2.5174792	4.3511286	2.5570891	4.5800614	3.3663187	5.3393946	4.9499621	0	0	1.4401109	1.2391664	407.4339	265.80368	586.75	329.375	831.625	701.75	411	412.75	177.75	210.5	66.125	85.375	24.25	29.875	5.75	7.75	0.5	0.375	0	0	600.875	485.375	136.375	146.75	4	28.625	0	6.25	0	0.875	0	0	0	0	0	0	282.336	138.12199	627	114	48	12	122	46
Artemisinin	Urea	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)N	3.8050928	4.1339998	-88182.25	-21170.973	-667016.75	-58085.102	-154.65057	-44.0765	-10.56012	-10.46773	10.56012	10.46773	0.87564999	1.89739	45.079445	7.429172	456.67719	194.19321	0	0	0	0	456.67719	194.19321	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	0	0	0	42	8	0	2	4	3	20	4	12	0	58.156837	14	1.3846866	1.75	0	0	0	0	15	1	0	0	0	0	22	4	0	0	0	2	5	1	0	0	0	0	1.8182865	2.5914834	-2.8763011	-2.1379642	-0.46847317	-0.31579185	0.48142555	0.40320349	2.9546874	2.0384004	-2.9138391	-2.6329503	-0.40296918	-0.17610484	0.52481794	0.56216198	2.9398463	1.6682646	-2.6583734	-1.8067821	-0.33618459	-0.19246057	0.60764611	0.47269744	3.1623287	2.3447669	30.756554	4.010828	0	0	0	0	0	0	45	7	1	1	23	3	3	2	0	0	0	0	44	6	0	0	0	0	0	0	14.120955	3.5773504	12.25642	2.0629489	10.215178	0.5	10.292529	0.57735026	9.4617796	1.7320508	7.713058	0.78147441	6.0543661	0	6.0990243	0	7	0	7	0	0	0	0	0	1.0725014	1.0944146	0.76930565	0.87231392	7	2	0	0	0	0	0	0	0	0	67.720932	-71.78447	15.392588	0.69801503	-3.2059937	-86.894409	10.423069	-87.019417	0.004222634	-9.47E-15	0	0	2.59E+12	1.51E+11	-9.7782021	0.10367411	2.59E+12	1.51E+11	-3.9392874	-15.259111	0	0	8.5961571	2.2395146	13.212008	4.2857537	33.304897	12.297415	13.629063	-0.12500209	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.80921364	-0.38651478	-0.32096618	-0.01928976	0.09475667	3.1303203	1.4200815	-0.89714968	-1.3836591	-0.31035468	-0.28694099	-0.002505066	0.28531954	3.1423492	1.2404913	-0.53425395	-0.43550014	-0.21040775	-0.17033789	0.10722204	0.14837369	3.3267074	1.6667864	0.21797732	0	6.1551886	3.5165505	6.7819748	8.6262703	6.7819748	0	0.72404015	-1.9121016	0.72404015	-1.9121016	-2.328289	1.014544	0	0	0.95388722	1.2915162	7.165029	1.4717567	0	0	14	14	14	14	1	1	0	0	13.648394	4	4.2631578	1.3333334	1.6952908	0	13.022482	2.0793173	4.0571489	0.48500621	1.6103241	0	2.6417074	0.25212047	5	3	0	4	1	1	0	0	3.582	-1.525	-3.4716799	0.18369	3.2725534	3.9290001	-88505.227	-21254.354	-655666.63	-58301.098	-124.02571	-39.593849	-10.87649	-10.52407	10.87649	10.52407	0.70187002	1.9975899	7.0486565	1.3212218	0	0	1	1	0.54197603	0.45691699	0.76507992	0.54308301	19	0	1	1	4	0	1	0	0	0	0	0	0	0	1.578668	0.95232701	-1.578668	-0.95232701	0.169572	0.32661778	0.19891214	0.36982423	98.274422	0	4.2653861	0	0	0	0	34.476051	12.263453	0	14.708499	0	0	17.440542	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	13.566921	16.070677	0	2.503756	13.302238	0.78448415	0.43759245	0.47116494	0.34104085	0.10538135	0.34104085	0.21551585	0.56240755	0.52883506	0.65895915	0.1101345	0.2213667	192.12025	34.476051	115.38834	26.86916	25.807903	26.86916	52.779854	44.309704	129.51176	51.916595	26.971952	17.440542	0.42857143	0.5	0.75	1	3.6450274	4.0690012	-82636.43	-18418.488	-653627.19	-54687.426	-158.23212	-40.958118	-10.78035	-9.6176004	10.78035	9.6176004	-0.15042999	1.06136	2210.6523	92.545364	1038.6576	42.285549	1466.22	50.259815	1916.4272	92.545364	1121.4878	42.285713	776.37323	50.259651	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	78.785751	0	0	0	0	0	0	244.9001	78.785751	0	0	4	1	1	0	2.7981894	1.241364	4	0	0	0	0	0	0.1	0.5	2.3949001	-0.97619998	0	65.794373	7.7454643	4.8299561	81.819725	0	0	0	17.643185	0	0	0	0	0	0	0	75.473625	0	99.978043	23.862217	6.8046999	1.37708	73.293228	23.862217	0	0	17.643185	0	8.5265026	0	0	65.794373	75.473625	0	7.7454643	4.8299561	99.978043	0	2.4099162	1.3233166	1.8617485	0.88300943	1.1251426	0	53.990002	69.110001	0.51481563	0.95443398	5.523562	2.5849626	2.5399911	1	8.4195395	3.5032582	244.9001	78.785751	367.00107	68.846771	263.25	54.875	281.14902	80.598656	30.537619	13.566921	0	0	0	0	0	35.484978	160.29349	0	33.029301	17.440542	30.537619	49.051899	5.3953252	1.0510889	0.23970899	0.058080036	2.6517773	3.6260037	1.7756623	3.24737	0.80558389	2.1177037	0.39811906	1.2700765	0.18423676	0.74530107	0.050205711	0.42319623	0.004379716	0.15753783	0	0.022293493	578.125	160	340.375	88.375	271.25	61.625	245	52.75	218.5	44.25	157.125	35.75	79.625	24.875	31.75	10.125	7.228416	6.0827627	7.1763501	6.1032777	0.5	0.5	0.70710677	0.5	0.70710677	6.0207973	0.70710677	6.041523	-2.2570698	-1.8038125	-2.2559736	-1.7959676	-2.2545061	-1.7723337	-5.4111814	-6.5502734	-5.3114209	-6.4567666	-5.095974	-6.4242721	1.2020918	1.1152741	230.75	103.375	274.625	116.875	173.75	86.375	66.125	47.375	24.25	26.125	5.75	14.5	0.5	5.375	0	1.25	0.089400925	0.75253552	0.023469388	0.42654029	1.1877036	0.71603978	1.0598711	0.68768656	1.0759208	0.69228089	1.2929488	0.70393401	1.5141792	0.66050524	1.8226515	0.64162123	1.5276124	0.59400856	1.2021793	0.58319503	0.81477576	0.029620131	2.2796693	0.13055034	3.7727251	0.27649602	4.1858115	0.41941118	4.3511286	0.36079371	4.5800614	0.35951421	5.3393946	0.73241502	0	1.5174339	1.4401109	1.0341116	407.4339	167.77686	586.75	173.5	831.625	570.75	411	394.125	177.75	217.75	66.125	97.875	24.25	46.375	5.75	22.5	0.5	7.5	0	1.375	600.875	467.375	136.375	277.25	4	131.375	0	50.5	0	20.25	0	8	0	2.125	0	0.125	282.336	60.056	627	9	48	0	122	12
Artemisinin	Benzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1ccccc1	3.8050928	3.5828784	-88182.25	-35048.418	-667016.75	-149249.41	-154.65057	-15.60645	-10.56012	-9.9405003	10.56012	9.9405003	0.87564999	-0.2142	45.079445	18.889551	456.67719	291.79977	0	0	0	0	456.67719	291.79977	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	16	0	1	4	2	20	9	12	6	58.156837	24.697031	1.3846866	1.5435644	0	0	0	0	15	7	0	0	0	0	22	7	0	0	0	1	5	1	0	0	0	0	1.8182865	2.2906082	-2.8763011	-2.1963778	-0.46847317	-0.64762491	0.48142555	0.69884193	2.9546874	2.1785934	-2.9138391	-2.4580374	-0.40296918	-0.53807992	0.52481794	0.76804841	2.9398463	2.265321	-2.6583734	-1.8703184	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.5005538	30.756554	7.950449	0	1	0	0.11111111	0	6	45	16	1	1	23	9	3	2	0	1	0	0.11111111	44	9	0	0	0	0	0	0	14.120955	6.6902347	12.25642	4.8723497	10.215178	3.8867514	10.292529	4.6902347	9.4617796	4.3045306	7.713058	2.6534829	6.0543661	2.1606836	6.0990243	3.1498299	7	0	7	0	0	0	0	0	1.0725014	0.98788172	0.76930565	0.71616614	7	5	0	0	0	0	0	0	0	0	67.720932	4.8845725	15.392588	1.9415036	-3.2059937	-10.977826	10.423069	-5.9625802	0.004222634	3.92E-14	0	0	2.59E+12	1.26E+10	-9.7782021	-1.4759426	2.59E+12	1.26E+10	-3.9392874	-12.139908	0	0	8.5961571	3.935123	13.212008	4.503438	33.304897	4.9705257	13.629063	5.0152464	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.8169657	-0.38651478	-0.3876867	-0.01928976	0.080098078	3.1303203	1.9705637	-0.89714968	-1.3703277	-0.31035468	-0.26386139	-0.002505066	0.16445385	3.1423492	2.0601146	-0.53425395	-0.42881867	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.2698753	0.21797732	0	6.1551886	1.981679	6.7819748	6.3138399	6.7819748	1.7640638	0.72404015	0.98498118	0.72404015	0.98498118	-2.328289	-1.3489712	0	0	0.95388722	4.2678924	7.165029	3.5864575	0	0	14	14	14	14	1	1	0	0	13.648394	7.1111112	4.2631578	3.2396693	1.6952908	2	13.022482	4.359375	4.0571489	1.8443956	1.6103241	1.0576172	2.6417074	0.89337915	5	2	0	2	1	1	0	0	3.582	0.84899998	-3.4716799	-1.637	3.2725534	3.4696252	-88505.227	-35118.898	-655666.63	-148654.45	-124.02571	-10.21253	-10.87649	-9.7223301	10.87649	9.7223301	0.70187002	-0.38657999	7.0486565	3.6122785	0	0	1	1	0.54197603	0.2423071	0.76507992	0.75769293	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.91635817	-1.578668	-0.91635817	0.169572	0.27227566	0.19891214	0.39925298	98.274422	2.2085397	4.2653861	21.326929	0	0	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	24.509808	37.495354	36.764713	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	6.6511192	0.78448415	0.75470603	0.47116494	0.60268617	0.10538135	0.14952448	0.21551585	0.24529399	0.52883506	0.39731386	0.1101345	0.095769517	192.12025	102.04801	115.38834	81.492561	25.807903	20.21804	52.779854	33.167572	129.51176	53.723026	26.971952	12.949531	0.42857143	0.40000001	0.75	0.66666669	3.6450274	3.5363259	-82636.43	-32120.346	-653627.19	-144858.78	-158.23212	-14.24941	-10.78035	-9.7192402	10.78035	9.7192402	-0.15042999	-0.3565	2210.6523	547.414	1038.6576	132.6423	1466.22	414.77173	1916.4272	547.414	1121.4878	187.19283	776.37323	360.22119	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	135.21559	0	0	0	0	0	0	244.9001	135.21559	0	0	4	3	1	0	2.7981894	2.1257684	4	1	0	0	0	0	0.1	0.77777779	2.3949001	0.78549999	0	32.897186	7.7454643	5.2587838	81.819725	0	0	0	17.643185	27.047791	0	0	0	0	0	88.215919	75.473625	0	99.978043	0	6.8046999	3.49599	73.293228	23.862217	0	0	17.643185	0	8.5265026	3.185575	0	32.897186	75.473625	88.215919	7.7454643	5.2587838	99.978043	0	2.4099162	2.0884802	1.8617485	1.3637531	1.1251426	0	53.990002	43.09	0.51481563	0.7642045	5.523562	4.1699252	2.5399911	2.1498685	8.4195395	6.0047355	244.9001	135.21559	367.00107	169.14929	263.25	122.625	281.14902	143.35741	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	81.251015	33.029301	12.949531	30.537619	31.30941	5.3953252	5.5645456	0.23970899	0.22126512	2.6517773	3.0162053	1.7756623	2.225029	0.80558389	1.2399701	0.39811906	0.52600658	0.18423676	0.24951576	0.050205711	0.10494523	0.004379716	0.04138013	0	0.007735466	578.125	407.875	340.375	230.25	271.25	171.125	245	151	218.5	133.125	157.125	106.375	79.625	57.5	31.75	28.625	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.0550275	-2.2559736	-2.0452516	-2.2545061	-2.0176575	-5.4111814	-6.5519905	-5.3114209	-6.4989204	-5.095974	-6.3775163	1.2020918	1.1436747	230.75	138.75	274.625	153	173.75	98.875	66.125	37.875	24.25	17.5	5.75	8.5	0.5	2.75	0	0.625	0.089400925	0.13659605	0.023469388	0.060430463	1.1877036	1.1639383	1.0598711	1.0502779	1.0759208	1.256036	1.2929488	1.5209334	1.5141792	1.7284094	1.8226515	1.6591485	1.5276124	0.48412427	1.2021793	0.57964581	0.81477576	0.84414506	2.2796693	2.2119999	3.7727251	3.129159	4.1858115	3.9019454	4.3511286	4.3117752	4.5800614	4.9433846	5.3393946	5.2311964	0	5.2143526	1.4401109	1.2410296	407.4339	260.56995	586.75	323.375	831.625	663.625	411	360.875	177.75	163.875	66.125	56.25	24.25	23.375	5.75	9.125	0.5	2.75	0	0.625	600.875	524.875	136.375	207.875	4	65	0	18.375	0	5.875	0	0.625	0	0	0	0	282.336	121.139	627	88	48	9	122	40
Artemisinin	Oxalic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)C(=O)O	3.8050928	0.014	-88182.25	-36112.129	-667016.75	-104429.52	-154.65057	-172.35793	-10.56012	-11.96173	10.56012	11.96173	0.87564999	-0.66562003	45.079445	8.0615864	456.67719	217.35225	0	0	0	0	456.67719	217.35225	0	0	0	0	0	0	1	2	1	2	4	4	0	0	0	0	0	0	42	8	0	4	4	8	20	6	12	0	58.156837	12	1.3846866	1.5	0	0	0	0	15	2	0	0	0	0	22	2	0	0	0	0	5	4	0	0	0	0	1.8182865	3.1623106	-2.8763011	-1.8785249	-0.46847317	-0.58676916	0.48142555	0.57905567	2.9546874	2.0981886	-2.9138391	-2.1905646	-0.40296918	-0.58810651	0.52481794	0.52698046	2.9398463	1.7372078	-2.6583734	-1.6478395	-0.33618459	-0.39689478	0.60764611	0.69501513	3.1623287	2.2939186	30.756554	4.1024141	0	1	0	0.2	0	0	45	7	1	2	23	5	3	1	0	1	0	0.2	44	5	0	0	0	0	0	0	14.120955	5.1547008	12.25642	2.7109237	10.215178	1	10.292529	1.1547005	9.4617796	2.6427345	7.713058	1.1054618	6.0543661	0.25	6.0990243	0.33333334	7	0	7	0	0	0	0	0	1.0725014	1.4319522	0.76930565	1.095884	7	3	0	0	0	0	0	0	0	0	67.720932	48.134575	15.392588	3.596736	-3.2059937	28.837526	10.423069	30.595978	0.004222634	1.37E-14	0	0	2.59E+12	3.92E+08	-9.7782021	-6.9710064	2.59E+12	3.92E+08	-3.9392874	-16.842133	0	0	8.5961571	0.49355736	13.212008	19.25811	33.304897	13.448302	13.629063	1.758453	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.68066704	-0.38651478	-0.48390445	-0.01928976	0.18590929	3.1303203	1.4889741	-0.89714968	-0.94746238	-0.31035468	-0.50469357	-0.002505066	0.11814377	3.1423492	1.2112271	-0.53425395	-0.40388164	-0.21040775	-0.25507605	0.10722204	0.25944003	3.3267074	1.6775291	0.21797732	0	6.1551886	3.8660414	6.7819748	6.870471	6.7819748	0	0.72404015	-1.4084355	0.72404015	-0.50860763	-2.328289	0.053779669	0	0	0.95388722	2.1054642	7.165029	1.7420304	0	-1.9974039	14	1.1712672	14	14	1	1.0182132	0	11.550633	13.648394	6	4.2631578	2.2222223	1.6952908	3	13.022482	4.1817598	4.0571489	1.4128889	1.6103241	1.734	2.6417074	0.98472703	5	4	0	2	1	1	0	0	3.582	-0.69999999	-3.4716799	0.41778001	3.2725534	1.8320227	-88505.227	-36290.059	-655666.63	-104409.39	-124.02571	-178.13696	-10.87649	-11.82475	10.87649	11.82475	0.70187002	0.23429	7.0486565	1.5560148	0	0	1	1	0.54197603	0.37059885	0.76507992	0.62940115	19	0	1	1	4	0	1	1	0	0	0	0	0	0	1.578668	1.1538359	-1.578668	-1.1538359	0.169572	0.30870616	0.19891214	0.28033796	98.274422	0	4.2653861	0	0	0	0	0	12.263453	20.648346	14.708499	0	0	29.416998	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	15.535081	0.78448415	0	0.47116494	0.46012035	0.10538135	0.46012035	0.21551585	1	0.52883506	0.53987968	0.1101345	0.53987968	192.12025	0	115.38834	42.668922	25.807903	42.668922	52.779854	92.734268	129.51176	50.065342	26.971952	50.065342	0.42857143	0.33333334	0.75	0.5	3.6450274	1.7401937	-82636.43	-33283.352	-653627.19	-101230.71	-158.23212	-176.51064	-10.78035	-11.69579	10.78035	11.69579	-0.15042999	0.21510001	2210.6523	220.18225	1038.6576	81.599297	1466.22	138.58296	1916.4272	220.18225	1121.4878	137.49469	776.37323	82.687569	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	92.734268	0	0	0	0	0	0	244.9001	92.734268	0	0	4	2	1	0	2.7981894	1.5638241	4	0	0	0	0	0	0.1	0	2.3949001	-0.84439999	0	0	7.7454643	15.490929	81.819725	47.724434	0	50.770454	17.643185	0	0	0	0	0	0	0	75.473625	0	99.978043	0	6.8046999	1.52716	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	0	0	0	75.473625	0	7.7454643	15.490929	99.978043	0	2.4099162	1.6315342	1.8617485	0.82172543	1.1251426	0	53.990002	74.599998	0.51481563	0.85240519	5.523562	3.321928	2.5399911	1.5655962	8.4195395	4.7883415	244.9001	92.734268	367.00107	82.156509	263.25	62.875	281.14902	90.20652	30.537619	0	0	0	0	0	0	0	160.29349	0	33.029301	29.416998	30.537619	54.267685	5.3953252	0.049230091	0.23970899	0.036724582	2.6517773	3.4457548	1.7756623	3.0930762	0.80558389	2.2216396	0.39811906	1.3964902	0.18423676	0.81676239	0.050205711	0.45660728	0.004379716	0.19854119	0	0.11019545	578.125	169	340.375	88.75	271.25	61.25	245	51.375	218.5	42.5	157.125	35	79.625	22.75	31.75	10.5	7.228416	1.8027756	7.1763501	2.236068	0.5	0.5	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-1.8139133	-2.2559736	-1.8040041	-2.2545061	-1.7981727	-5.4111814	-8.6692038	-5.3114209	-8.590024	-5.095974	-8.277813	1.2020918	1.1391755	230.75	244.125	274.625	315.25	173.75	238.375	66.125	115.375	24.25	57.5	5.75	29.625	0.5	13	0	6	0.089400925	0.9653061	0.023469388	0.57664233	1.1877036	0.046273652	1.0598711	0.021907961	1.0759208	0.070161156	1.2929488	0.15811095	1.5141792	0.20075423	1.8226515	0.077731222	1.5276124	0.18263082	1.2021793	0.29335725	0.81477576	0.013258922	2.2796693	0.014451661	3.7727251	0.00421687	4.1858115	0.009519744	4.3511286	0.030032147	4.5800614	0.12230505	5.3393946	0.10340643	0	0.11459297	1.4401109	1.0683491	407.4339	190.83182	586.75	203.875	831.625	604	411	430.125	177.75	266.875	66.125	123.375	24.25	59.125	5.75	29.625	0.5	13	0	6	600.875	359.875	136.375	114.875	4	28.5	0	8	0	1.625	0	0	0	0	0	0	282.336	90.033997	627	29	48	4	122	22
Artemisinin	Hydroquinone	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Oc1ccc(O)cc1	3.8050928	2.2655861	-88182.25	-34394.949	-667016.75	-132538.2	-154.65057	-65.657272	-10.56012	-8.7336998	10.56012	8.7336998	0.87564999	0.23301999	45.079445	16.164759	456.67719	274.88693	0	0	0	0	456.67719	274.88693	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	14	0	2	4	4	20	8	12	6	58.156837	20.283419	1.3846866	1.4488156	0	0	0	0	15	6	0	0	0	0	22	6	0	0	0	0	5	2	0	0	0	0	1.8182865	2.2646422	-2.8763011	-2.1692731	-0.46847317	-0.75684702	0.48142555	0.79791343	2.9546874	2.1309874	-2.9138391	-1.9700137	-0.40296918	-0.70276606	0.52481794	0.79322523	2.9398463	2.3751178	-2.6583734	-1.8550557	-0.33618459	-0.59695941	0.60764611	0.9400999	3.1623287	2.4445145	30.756554	6.5592418	0	0	0	0	0	6	45	14	1	0	23	8	3	1	0	0	0	0	44	8	0	0	0	0	0	0	14.120955	5.9831276	12.25642	4.2038283	10.215178	3.309401	10.292529	3.9831276	9.4617796	3.7876937	7.713058	2.2685809	6.0543661	1.8213673	6.0990243	2.6329932	7	0	7	0	0	0	0	0	1.0725014	1.0499356	0.76930565	0.75463432	7	5	0	0	0	0	0	0	0	0	67.720932	0.53364009	15.392588	5.5413613	-3.2059937	-14.992929	10.423069	-11.889457	0.004222634	8.16E-15	0	0	2.59E+12	3.66E+11	-9.7782021	-2.503916	2.59E+12	3.66E+11	-3.9392874	-13.231646	0	0	8.5961571	3.250742	13.212008	4.6241078	33.304897	3.6309934	13.629063	3.1034725	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76621825	-0.38651478	-0.46372244	-0.01928976	0.18543673	3.1303203	1.8931462	-0.89714968	-0.76267397	-0.31035468	-0.311885	-0.002505066	0.15752824	3.1423492	2.110517	-0.53425395	-0.43245378	-0.21040775	-0.25147852	0.10722204	0.28108415	3.3267074	2.1841278	0.21797732	0	6.1551886	1.7703366	6.7819748	4.9581981	6.7819748	1.4276696	0.72404015	0.85245848	0.72404015	0.85214829	-2.328289	-0.91941267	0	0	0.95388722	3.4274228	7.165029	3.0372181	0	-0.003532042	14	9.4504375	14	14	1	1.0237448	0	0.002109406	13.648394	6.125	4.2631578	2.52	1.6952908	1.8	13.022482	4.3645353	4.0571489	1.6948504	1.6103241	1.1498824	2.6417074	0.9246543	5	2	0	2	1	1	0	0	3.582	1.29	-3.4716799	-0.66097999	3.2725534	2.2433197	-88505.227	-34511.742	-655666.63	-132479.31	-124.02571	-73.92952	-10.87649	-8.5236101	10.87649	8.5236101	0.70187002	0.12799001	7.0486565	3.030412	0	0	1	1	0.54197603	0.21303344	0.76507992	0.78696656	19	6	1	1	4	1	1	0	0	0	0	0	0	0	1.578668	0.8377021	-1.578668	-0.8377021	0.169572	0.25941595	0.19891214	0.42954472	98.274422	0	4.2653861	33.978584	0	0	0	0	12.263453	20.648346	14.708499	0	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	15.535081	0.78448415	0.69640094	0.47116494	0.54164976	0.10538135	0.13034795	0.21551585	0.30359903	0.52883506	0.45835027	0.1101345	0.17325108	192.12025	82.998199	115.38834	64.554695	25.807903	15.535081	52.779854	36.183426	129.51176	54.626926	26.971952	20.648346	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.2192328	-82636.43	-32066.877	-653627.19	-129397.34	-158.23212	-65.979332	-10.78035	-8.7619305	10.78035	8.7619305	-0.15042999	0.17335001	2210.6523	427.53601	1038.6576	91.079468	1466.22	336.45654	1916.4272	427.53601	1121.4878	149.84116	776.37323	277.69485	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	119.18163	0	0	0	0	0	0	244.9001	119.18163	0	0	4	3	1	0	2.7981894	1.9704664	4	1	0	0	0	0	0.1	1	2.3949001	1.0978	0	50.770454	7.7454643	0	81.819725	0	0	0	17.643185	0	0	0	0	0	0	70.572739	75.473625	0	99.978043	10.486856	6.8046999	2.97716	73.293228	0	0	50.770454	17.643185	0	8.5265026	10.486856	0	0	75.473625	70.572739	7.7454643	0	99.978043	0	2.4099162	1.8412997	1.8617485	1.3539026	1.1251426	0	53.990002	40.459999	0.51481563	0.8112781	5.523562	4	2.5399911	1.9905418	8.4195395	5.649457	244.9001	119.18163	367.00107	145.91438	263.25	104.875	281.14902	127.77341	30.537619	0	0	0	0	0	0	0	160.29349	80.151016	33.029301	0	30.537619	27.133842	5.3953252	2.1986532	0.23970899	0.28940561	2.6517773	3.0693126	1.7756623	2.5533705	0.80558389	1.0295597	0.39811906	0.43906951	0.18423676	0.17743479	0.050205711	0.020964067	0.004379716	0	0	0	578.125	367.375	340.375	208.5	271.25	151.375	245	132.5	218.5	113.875	157.125	98.25	79.625	57.875	31.75	22.375	7.228416	6.5	7.1763501	0.5	0.5	6.5192022	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-1.9749132	-2.2559736	-1.949054	-2.2545061	-1.9296148	-5.4111814	-4.4403486	-5.3114209	-4.4254093	-5.095974	-4.3248544	1.2020918	1.1331062	230.75	169.5	274.625	200	173.75	93.375	66.125	32.25	24.25	11.5	5.75	1.25	0.5	0	0	0	0.089400925	0.0867052	0.023469388	0.010377359	1.1877036	0.33929408	1.0598711	0.32038036	1.0759208	0.30413321	1.2929488	0.35941282	1.5141792	0.47265422	1.8226515	0.52830249	1.5276124	0.44361633	1.2021793	0.69890308	0.81477576	0.2438675	2.2796693	0.5475356	3.7727251	0.9750604	4.1858115	1.3431569	4.3511286	1.8991296	4.5800614	2.5391667	5.3393946	0	0	0	1.4401109	1.2089783	407.4339	240.49232	586.75	290.75	831.625	605.5	411	328.875	177.75	121.5	66.125	39.375	24.25	13.125	5.75	1.375	0.5	0	0	0	600.875	436	136.375	128.875	4	28.125	0	7.125	0	1.625	0	0.125	0	0	0	0	282.336	110.112	627	62	48	7	122	36
Artemisinin	Caffeine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1N(C)C(=O)c2n(C)cnc2N1C	3.8050928	3.5541387	-88182.25	-60616.941	-667016.75	-330648.41	-154.65057	9.2007999	-10.56012	-8.96031	10.56012	8.96031	0.87564999	-0.34132001	45.079445	26.75193	456.67719	372.06012	0	0	0	0	456.67719	372.06012	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	5	0	0	42	24	0	0	4	3	20	14	12	4	58.156837	42.81982	1.3846866	1.7841592	0	0	0	0	15	8	0	0	0	0	22	10	0	0	0	4	5	2	0	0	0	0	1.8182865	2.247865	-2.8763011	-2.4536171	-0.46847317	-0.27941167	0.48142555	0.10598757	2.9546874	2.4786618	-2.9138391	-2.6267395	-0.40296918	-0.17823356	0.52481794	0.24075854	2.9398463	2.3914192	-2.6583734	-2.1531734	-0.33618459	0.010782566	0.60764611	0.29583871	3.1623287	2.7730138	30.756554	20.10807	0	0	0	0	0	5	45	25	1	2	23	15	3	2	0	0	0	0	44	18	0	0	0	0	0	0	14.120955	10.455666	12.25642	8.1827011	10.215178	5.5773501	10.292529	6.0165076	9.4617796	6.536581	7.713058	4.1079278	6.0543661	0.5	6.0990243	0.66666669	7	0	7	0	0	0	0	0	1.0725014	1.1018099	0.76930565	0.80527008	7	6	0	0	0	0	0	0	0	0	67.720932	-19.307463	15.392588	41.652439	-3.2059937	-81.687416	10.423069	-76.522942	0.004222634	0.000436039	0	0	2.59E+12	1.36E+12	-9.7782021	-2.7155745	2.59E+12	1.36E+12	-3.9392874	-15.601119	0	0	8.5961571	7.8322568	13.212008	12.189993	33.304897	7.730341	13.629063	5.164475	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.84105462	-0.38651478	-0.43118259	-0.01928976	-0.11418443	3.1303203	2.345499	-0.89714968	-1.0014238	-0.31035468	-0.29680276	-0.002505066	-0.037	3.1423492	2.3107893	-0.53425395	-0.48707736	-0.21040775	-0.12930878	0.10722204	0.007412363	3.3267074	2.616025	0.21797732	0.036673535	6.1551886	5.9740539	6.7819748	6.9794235	6.7819748	6.9794235	0.72404015	0.63815767	0.72404015	0.63823229	-2.328289	-1.938237	0	0	0.95388722	5.0606093	7.165029	5.1533413	0	0.000187805	14	14	14	10.726212	1	1.0018578	0	0.000111973	13.648394	10.515555	4.2631578	3.5387523	1.6952908	1.4545455	13.022482	7.0346155	4.0571489	2.2854667	1.6103241	0.91422778	2.6417074	1.1483842	5	6	0	0	1	1	0	0	3.582	-0.60399997	-3.4716799	-0.68832999	3.2725534	3.9682689	-88505.227	-60812.363	-655666.63	-329817.06	-124.02571	-31.29137	-10.87649	-9.1410704	10.87649	9.1410704	0.70187002	-0.38602	7.0486565	4.8692617	0	0	1	1	0.54197603	0.40492293	0.76507992	0.6030007	19	10	1	1	4	2	1	0	0	0	0	0	0	0	1.578668	1.5985926	-1.578668	-1.5985926	0.169572	0.20835082	0.19891214	0.2050059	98.274422	108.10454	4.2653861	21.236927	0	4.2653861	0	17.890114	12.263453	0	14.708499	12.949531	0	17.440542	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	19.249496	16.070677	13.566921	2.503756	0	0.78448415	0.70561028	0.47116494	0.15284531	0.10538135	0.15284531	0.21551585	0.29438972	0.52883506	0.84715468	0.1101345	0.1415444	192.12025	151.49696	115.38834	32.816418	25.807903	32.816418	52.779854	63.20649	129.51176	181.88704	26.971952	30.390074	0.42857143	0.33333334	0.75	0.5	3.6450274	3.9123623	-82636.43	-53926.449	-653627.19	-319119.19	-158.23212	-47.614262	-10.78035	-8.9703598	10.78035	8.9703598	-0.15042999	-0.53068	2210.6523	1209.5897	1038.6576	487.85779	1466.22	726.50513	1916.4272	1204.8164	1121.4878	622.51453	776.37323	582.22906	312.79126	4.8460689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	214.70346	0	0	0	0	0	0	244.9001	214.70346	0	0	4	4	1	0	2.7981894	2.4957504	4	2	0	0	0	0	0.1	0.42857143	2.3949001	0.42109999	0	3.1243138	7.7454643	31.897676	81.819725	0	0	0	17.643185	26.618963	0	65.794373	0	0	0	16.78553	75.473625	0	99.978043	59.087322	6.8046999	4.9381499	73.293228	47.724434	0	21.808937	17.643185	3.1243138	8.5265026	2.7567475	0	2.3279202	75.473625	16.78553	7.7454643	10.088739	99.978043	98.691559	2.4099162	2.3193624	1.8617485	1.9344759	1.1251426	0.44416571	53.990002	58.439999	0.51481563	0.61744827	5.523562	4.9068904	2.5399911	2.2940331	8.4195395	7.362936	244.9001	214.70346	367.00107	241.15387	263.25	176.25	281.14902	204.73689	30.537619	32.816418	0	0	0	0	0	0	160.29349	108.39793	33.029301	66.371155	30.537619	32.816418	5.3953252	1.8182803	0.23970899	0.23681289	2.6517773	2.8686626	1.7756623	2.4035611	0.80558389	1.5731322	0.39811906	0.55920309	0.18423676	0.21493635	0.050205711	0.047772031	0.004379716	0.000505434	0	0	578.125	487	340.375	294.125	271.25	223.25	245	177.625	218.5	138.125	157.125	114	79.625	78.375	31.75	58.625	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.6971712	-2.2559736	-2.6862466	-2.2545061	-2.6308494	-5.4111814	-5.0812378	-5.3114209	-4.9571161	-5.095974	-4.9015346	1.2020918	1.1927823	230.75	253.125	274.625	357.125	173.75	218.125	66.125	67.75	24.25	21.75	5.75	4.625	0.5	0.125	0	0	0.089400925	0.09742441	0.023469388	0.026038002	1.1877036	0.74118751	1.0598711	0.65735382	1.0759208	0.73542285	1.2929488	0.96832788	1.5141792	1.2738143	1.8226515	1.2781007	1.5276124	0.87271971	1.2021793	0.5578447	0.81477576	0.26508075	2.2796693	0.66608649	3.7727251	0.95081586	4.1858115	1.2040219	4.3511286	1.4012042	4.5800614	3.135484	5.3393946	5.3640709	0	0	1.4401109	1.3115474	407.4339	330.14438	586.75	433	831.625	831	411	522.125	177.75	246	66.125	67.75	24.25	21.75	5.75	4.625	0.5	0.125	0	0	600.875	577.875	136.375	165	4	27.875	0	0	0	0	0	0	0	0	0	0	282.336	194.194	627	258	48	25	122	76
Artemisinin	Capryllic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)CCCCCCC	3.8050928	1.8547434	-88182.25	-43535.641	-667016.75	-206281.64	-154.65057	-143.3098	-10.56012	-11.24267	10.56012	11.24267	0.87564999	1.02966	45.079445	26.352688	456.67719	389.36496	0	0	0	0	456.67719	389.36496	0	0	0	1	0	0	1	0	1	1	4	2	0	0	0	0	0	0	42	26	0	2	4	4	20	10	12	7	58.156837	32.211433	1.3846866	1.2389013	0	0	0	0	15	8	0	0	0	0	22	16	0	0	0	0	5	2	0	0	0	0	1.8182865	2.7821934	-2.8763011	-2.6748424	-0.46847317	-0.33624497	0.48142555	0.31047317	2.9546874	2.6223962	-2.9138391	-2.5192654	-0.40296918	-0.27668977	0.52481794	0.30315164	2.9398463	2.7806473	-2.6583734	-2.4272974	-0.33618459	-0.16735956	0.60764611	0.42282993	3.1623287	2.8692265	30.756554	18.449312	0	6	0	0.66666669	0	0	45	25	1	1	23	9	3	8	0	6	0	0.66666669	44	24	0	0	0	0	0	0	14.120955	7.8199911	12.25642	6.5981026	10.215178	5.7426405	10.292529	5.8199911	9.4617796	4.7700558	7.713058	3.9883912	6.0543661	3.5606601	6.0990243	3.615355	7	0	7	0	0	0	0	0	1.0725014	0.88883817	0.76930565	0.65841961	7	8	0	0	0	0	0	0	0	0	67.720932	-4.9760909	15.392588	7.2025838	-3.2059937	-21.738903	10.423069	-19.700735	0.004222634	1.24E-14	0	7.63E-06	2.59E+12	2.51E+10	-9.7782021	-1.4115689	2.59E+12	2.51E+10	-3.9392874	-6.776505	0	0	8.5961571	0.88616526	13.212008	9.6475105	33.304897	6.6358953	13.629063	2.0381682	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.80122006	-0.38651478	-0.3277933	-0.01928976	0.017137067	3.1303203	2.3294387	-0.89714968	-0.87253428	-0.31035468	-0.20670028	-0.002505066	0.012818459	3.1423492	2.45678	-0.53425395	-0.53177094	-0.21040775	-0.17272645	0.10722204	0.11750613	3.3267074	2.5407503	0.21797732	0.038391538	6.1551886	2.2712932	6.7819748	4.8531961	6.7819748	2.0458338	0.72404015	2.4496663	0.72404015	2.5292358	-2.328289	-2.13416	0	0	0.95388722	0.95450443	7.165029	4.1234407	0	-0.99028146	14	4.9918432	14	14	1	1.0562282	0	2.7624595	13.648394	10	4.2631578	7.1111112	1.6952908	9.1428576	13.022482	9.0641108	4.0571489	6.368185	1.6103241	8.1070004	2.6417074	5.7721939	5	2	0	1	1	1	0	0	3.582	2.6059999	-3.4716799	-2.3716099	3.2725534	1.6460395	-88505.227	-43733.102	-655666.63	-204047.81	-124.02571	-129.21426	-10.87649	-11.47835	10.87649	11.47835	0.70187002	0.89910001	7.0486565	4.2099466	0	0	1	1	0.54197603	0.048308071	0.76507992	0.96906394	19	0	1	1	4	0	1	6	0	0	0	0	0	0	1.578668	0.92064822	-1.578668	-0.92064822	0.169572	0.2819618	0.19891214	0.35981977	98.274422	72.682106	4.2653861	0	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	8.701313	37.495354	53.552929	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.74425679	0.47116494	0.46104303	0.10538135	0.11767265	0.21551585	0.25574321	0.52883506	0.538957	0.1101345	0.13807055	192.12025	134.93634	115.38834	83.588707	25.807903	21.334461	52.779854	46.367134	129.51176	97.714775	26.971952	25.032671	0.42857143	0.5	0.75	1	3.6450274	1.7841542	-82636.43	-41141.918	-653627.19	-202852.2	-158.23212	-133.39392	-10.78035	-11.35174	10.78035	11.35174	-0.15042999	0.95958	2210.6523	1710.5793	1038.6576	81.923203	1466.22	1643.3862	1916.4272	1695.8492	1121.4878	1313.8707	776.37323	294.27228	312.79126	102.43633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	181.30348	0	0	0	0	0	0	244.9001	181.30348	0	0	4	4	1	0	2.7981894	3.4440377	4	0	0	0	0	0	0.1	0	2.3949001	2.4315	0	0	7.7454643	7.7454643	81.819725	23.862217	0	25.385227	17.643185	0	0	0	0	0	0	0	75.473625	113.21043	99.978043	33.326015	6.8046999	4.1011801	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	0	0	0	75.473625	113.21043	7.7454643	7.7454643	99.978043	33.326015	2.4099162	3.3014438	1.8617485	0.89190507	1.1251426	0.64687699	53.990002	37.299999	0.51481563	0.68007702	5.523562	4.1699252	2.5399911	2.8566434	8.4195395	6.2384267	244.9001	181.30348	367.00107	219.03053	263.25	162.25	281.14902	203.33252	30.537619	0	0	0	0	0	0	0	160.29349	124.25941	33.029301	14.708499	30.537619	27.133842	5.3953252	6.9871283	0.23970899	0.19570442	2.6517773	2.8077829	1.7756623	1.880867	0.80558389	0.79850078	0.39811906	0.4044978	0.18423676	0.19088958	0.050205711	0.057455249	0.004379716	0.007605408	0	0	578.125	475.75	340.375	274.5	271.25	226.375	245	216.875	218.5	193.375	157.125	136.5	79.625	62.75	31.75	10.875	7.228416	0.5	7.1763501	0.70710677	0.5	0.5	0.70710677	0.86602539	0.70710677	1.2247449	0.70710677	0.5	-2.2570698	-1.8559061	-2.2559736	-1.8369386	-2.2545061	-1.81178	-5.4111814	-5.4741316	-5.3114209	-5.405292	-5.095974	-5.2808924	1.2020918	1.2388567	230.75	217.75	274.625	239.5	173.75	134.625	66.125	50.375	24.25	20	5.75	5.375	0.5	0.75	0	0	0.089400925	0.092766427	0.023469388	0.024783861	1.1877036	1.4766946	1.0598711	1.652871	1.0759208	2.085839	1.2929488	2.3226569	1.5141792	2.5004926	1.8226515	1.5425847	1.5276124	0.78688467	1.2021793	0.99161464	0.81477576	0.90307957	2.2796693	3.0274031	3.7727251	4.3164988	4.1858115	4.6579075	4.3511286	4.9049001	4.5800614	5.3380637	5.3393946	6.6519485	0	0	1.4401109	1.2645897	407.4339	343.88626	586.75	434.875	831.625	727.875	411	349.625	177.75	148.375	66.125	54.375	24.25	21	5.75	5.375	0.5	0.75	0	0	600.875	510.125	136.375	110.125	4	13.75	0	4	0	1	0	0	0	0	0	0	282.336	144.21399	627	158	48	7	122	36
Artemisinin	L-Glutamic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)C(N)CCC(=O)O	3.8050928	3.3428826	-88182.25	-51995.66	-667016.75	-223294.67	-154.65057	-199.96776	-10.56012	-10.38411	10.56012	10.38411	0.87564999	0.78592998	45.079445	19.109137	456.67719	315.99655	0	0	0	0	456.67719	315.99655	0	0	0	0	0	0	1	2	1	4	4	5	0	0	0	0	0	0	42	19	0	5	4	10	20	10	12	3	58.156837	32.571659	1.3846866	1.7142978	0	0	0	0	15	5	0	0	0	0	22	9	0	0	0	1	5	4	0	0	0	0	1.8182865	3.3270686	-2.8763011	-2.5276494	-0.46847317	-0.51661867	0.48142555	0.44800958	2.9546874	2.5791686	-2.9138391	-2.7298291	-0.40296918	-0.47954121	0.52481794	0.39326218	2.9398463	2.536978	-2.6583734	-2.302597	-0.33618459	-0.30410931	0.60764611	0.58211863	3.1623287	2.7989013	30.756554	11.094863	0	4	0	0.44444445	0	0	45	18	1	2	23	9	3	5	0	4	0	0.44444445	44	16	0	0	0	0	0	0	14.120955	8.1462641	12.25642	5.2798381	10.215178	2.9915638	10.292529	3.1462643	9.4617796	4.536581	7.713058	2.7392721	6.0543661	1.5504768	6.0990243	1.6498299	7	1	7	1	0	0	0	0	1.0725014	1.1619349	0.76930565	0.86488354	7	6	0	0	0	0	0	0	0	0	67.720932	14.942115	15.392588	4.6472468	-3.2059937	-3.9014797	10.423069	-2.9531686	0.004222634	0.00023079	0	0	2.59E+12	1.91E+10	-9.7782021	-3.7073209	2.59E+12	1.91E+10	-3.9392874	-22.375725	0	0	8.5961571	2.1983304	13.212008	14.938221	33.304897	11.049476	13.629063	0.94831109	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81171149	-0.38651478	-0.47793251	-0.01928976	0.089774042	3.1303203	2.1380129	-0.89714968	-1.3635063	-0.31035468	-0.44385099	-0.002505066	0.054200001	3.1423492	2.0707667	-0.53425395	-0.51269746	-0.21040775	-0.23950385	0.10722204	0.20623049	3.3267074	2.3439405	0.21797732	0.38274732	6.1551886	6.3743968	6.7819748	10.205877	6.7819748	2.7650878	0.72404015	-3.9353192	0.72404015	-1.2645046	-2.328289	0.27830032	0	0	0.95388722	1.9090978	7.165029	3.4107523	0	-0.99667877	14	4.8077769	14	11.788505	1	1.0621699	0	8.5977154	13.648394	10	4.2631578	4.7603307	1.6952908	5.5308642	13.022482	8.1884441	4.0571489	3.8015206	1.6103241	4.3267159	2.6417074	3.112854	5	5	0	4	1	1	0	0	3.582	-3.36373	-3.4716799	0.64273	3.2725534	0.97624999	-88505.227	-52217.012	-655666.63	-222191.5	-124.02571	-185.01578	-10.87649	-11.05977	10.87649	11.05977	0.70187002	0.68911999	7.0486565	3.308836	0	0	1	1	0.54197603	0.36866552	0.76507992	0.88493556	19	0	1	1	4	0	1	4	0	0	0	0	0	0	1.578668	1.5287807	-1.578668	-1.5287807	0.169572	0.18089668	0.19891214	0.21668693	98.274422	25.762857	4.2653861	7.4113464	0	17.238026	0	0	12.263453	20.648346	14.708499	29.416998	0	0	44.851616	8.701313	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	22.186199	0.78448415	0.37295863	0.47116494	0.3660678	0.10538135	0.31116956	0.21551585	0.6270414	0.52883506	0.63393217	0.1101345	0.3158718	192.12025	59.113544	115.38834	58.021355	25.807903	49.320042	52.779854	99.385384	129.51176	100.47758	26.971952	50.065342	0.42857143	0.5	0.75	1	3.6450274	1.1180958	-82636.43	-47726.57	-653627.19	-218537.23	-158.23212	-189.25925	-10.78035	-9.9783897	10.78035	9.9783897	-0.15042999	0.722	2210.6523	750.3999	1038.6576	245.51512	1466.22	589.32837	1916.4272	665.95624	1121.4878	260.33844	776.37323	389.70755	312.79126	100.35391	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	158.49893	0	0	0	0	0	0	244.9001	158.49893	0	0	4	3	1	0	2.7981894	2.2583735	4	0	0	0	0	0	0.1	0	2.3949001	-0.73689997	0	32.897186	7.7454643	15.490929	81.819725	51.706402	0	50.770454	17.643185	0	0	0	0	0	0	0	75.473625	37.736813	99.978043	0	6.8046999	3.2481	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	3.9819686	0	32.897186	75.473625	37.736813	7.7454643	15.490929	99.978043	0	2.4099162	1.7454439	1.8617485	1.2053995	1.1251426	1.0798464	53.990002	100.62	0.51481563	0.68007702	5.523562	4.1699252	2.5399911	2.5111432	8.4195395	6.2897353	244.9001	158.49893	367.00107	170.11539	263.25	126.625	281.14902	161.85645	30.537619	0	0	0	0	0	0	0	160.29349	38.31654	33.029301	29.416998	30.537619	72.01017	5.3953252	1.8778496	0.23970899	0.027155692	2.6517773	3.2949085	1.7756623	2.9729669	0.80558389	2.3023713	0.39811906	1.4035535	0.18423676	0.77377725	0.050205711	0.31723797	0.004379716	0.077457294	0	0.031051176	578.125	195.5	340.375	103.375	271.25	70.125	245	52.375	218.5	39.25	157.125	26.25	79.625	11.25	31.75	2.125	7.228416	0.5	7.1763501	7.5828753	0.5	7.5	0.70710677	0.70710677	0.70710677	0.5	0.70710677	1.118034	-2.2570698	-2.0447967	-2.2559736	-1.8003248	-2.2545061	-1.7949545	-5.4111814	-7.8708463	-5.3114209	-7.6972055	-5.095974	-7.5388541	1.2020918	1.1712255	230.75	291.75	274.625	370	173.75	284.75	66.125	136.5	24.25	60.75	5.75	24.75	0.5	6.625	0	2.25	0.089400925	1.0017825	0.023469388	0.49880669	1.1877036	1.4688252	1.0598711	1.375146	1.0759208	1.2909509	1.2929488	1.7982686	1.5141792	2.2258976	1.8226515	2.6284389	1.5276124	3.246686	1.2021793	2.5675299	0.81477576	0.36211377	2.2796693	0.56286919	3.7727251	0.64170009	4.1858115	0.6111635	4.3511286	0.74766243	4.5800614	1.0671606	5.3393946	2.6336448	0	4.2226515	1.4401109	1.212149	407.4339	266.9845	586.75	323.625	831.625	852.75	411	630.75	177.75	381.75	66.125	167.75	24.25	70.25	5.75	26.125	0.5	6.625	0	2.25	600.875	561	136.375	260.75	4	97	0	31.25	0	9.5	0	1.375	0	0	0	0	282.336	147.12999	627	136	48	9	122	40
Artemisinin	Nicotinic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1cnccc1	3.8050928	3.0532367	-88182.25	-38852.559	-667016.75	-153810.73	-154.65057	-57.534939	-10.56012	-10.41899	10.56012	10.41899	0.87564999	-0.82119	45.079445	16.597965	456.67719	283.59033	0	0	0	0	456.67719	283.59033	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	14	0	2	4	5	20	9	12	5	58.156837	24.183554	1.3846866	1.7273967	0	0	0	0	15	6	0	0	0	0	22	5	0	0	0	1	5	2	0	0	0	0	1.8182865	2.2906082	-2.8763011	-2.1082251	-0.46847317	-0.602422	0.48142555	0.67330587	2.9546874	2.1486189	-2.9138391	-2.1069605	-0.40296918	-0.52581239	0.52481794	0.73113877	2.9398463	2.1927481	-2.6583734	-1.8127911	-0.33618459	-0.4437243	0.60764611	0.80172598	3.1623287	2.4353344	30.756554	7.7440348	0	1	0	0.11111111	0	6	45	14	1	1	23	9	3	1	0	1	0	0.11111111	44	7	0	0	0	0	0	0	14.120955	6.6902347	12.25642	4.6120768	10.215178	3.309401	10.292529	3.9831276	9.4617796	4.3045306	7.713058	2.4381456	6.0543661	1.4940169	6.0990243	2.1498299	7	0	7	0	0	0	0	0	1.0725014	1.0943199	0.76930565	0.79981369	7	5	0	0	0	0	0	0	0	0	67.720932	6.8252406	15.392588	3.5588603	-3.2059937	-13.815405	10.423069	-8.2030735	0.004222634	6.43E-15	0	0	2.59E+12	1.75E+13	-9.7782021	-1.757696	2.59E+12	1.75E+13	-3.9392874	-13.577454	0	0	8.5961571	4.8374667	13.212008	11.028571	33.304897	6.6319876	13.629063	5.6123314	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.74393076	-0.38651478	-0.4466292	-0.01928976	0.14464548	3.1303203	1.8860688	-0.89714968	-0.85420048	-0.31035468	-0.35519421	-0.002505066	0.19518203	3.1423492	1.9413732	-0.53425395	-0.40433091	-0.21040775	-0.22745392	0.10722204	0.23895784	3.3267074	2.1641028	0.21797732	0	6.1551886	4.2051477	6.7819748	5.223218	6.7819748	2.3372505	0.72404015	0.36937088	0.72404015	0.66366661	-2.328289	-1.1994917	0	0	0.95388722	4.2110958	7.165029	3.3045428	0	-0.98941857	14	5.0289755	14	10.662715	1	1.0665716	0	3.5724137	13.648394	7.1111112	4.2631578	3.2396693	1.6952908	2	13.022482	4.6048775	4.0571489	1.9658833	1.6103241	1.1377991	2.6417074	1.0058502	5	3	0	1	1	1	0	0	3.582	0.34999999	-3.4716799	-0.096139997	3.2725534	3.0992768	-88505.227	-38954.039	-655666.63	-153417.78	-124.02571	-58.596489	-10.87649	-10.13499	10.87649	10.13499	0.70187002	-0.83222997	7.0486565	3.3054912	0	0	1	1	0.54197603	0.23834459	0.76507992	0.76165539	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.93815309	-1.578668	-0.93815309	0.169572	0.3120023	0.19891214	0.34904024	98.274422	33.491833	4.2653861	19.270084	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	24.509808	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	19.249496	2.503756	7.7675405	0.78448415	0.59751678	0.47116494	0.39844009	0.10538135	0.20891385	0.21551585	0.40248325	0.52883506	0.60155988	0.1101345	0.19356941	192.12025	77.271721	115.38834	51.526844	25.807903	27.017036	52.779854	52.049709	129.51176	77.794586	26.971952	25.032671	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.9759812	-82636.43	-35453.691	-653627.19	-149043	-158.23212	-58.707218	-10.78035	-10.50336	10.78035	10.50336	-0.15042999	-0.86044002	2210.6523	541.60614	1038.6576	129.0889	1466.22	412.51724	1916.4272	541.60614	1121.4878	197.30675	776.37323	344.29938	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	129.32143	0	0	0	0	0	0	244.9001	129.32143	0	0	4	3	1	0	2.7981894	2.0974584	4	1	0	0	0	0	0.1	0.44444445	2.3949001	0.7798	0	0	7.7454643	24.530994	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	69.71508	75.473625	0	99.978043	0	6.8046999	3.1196301	73.293228	23.862217	0	16.78553	17.643185	25.385227	8.5265026	3.185575	0	0	75.473625	69.71508	7.7454643	7.7454643	99.978043	0	2.4099162	2.0112195	1.8617485	1.2804022	1.1251426	0	53.990002	50.189999	0.51481563	0.7642045	5.523562	4.1699252	2.5399911	2.1498685	8.4195395	6.0047355	244.9001	129.32143	367.00107	153.92461	263.25	112.5	281.14902	136.80829	30.537619	5.6825762	0	0	0	0	0	0	160.29349	74.424538	33.029301	14.708499	30.537619	32.816418	5.3953252	3.3070178	0.23970899	0.12466139	2.6517773	3.1530972	1.7756623	2.5719986	0.80558389	1.6554655	0.39811906	0.80170971	0.18423676	0.36061653	0.050205711	0.11177524	0.004379716	0.002333847	0	0	578.125	340.25	340.375	190.875	271.25	139.375	245	117.875	218.5	100.25	157.125	80.375	79.625	47.75	31.75	27.125	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	8.944272	0.70710677	8.9582367	-2.2570698	-2.1003647	-2.2559736	-2.0639584	-2.2545061	-2.0527258	-5.4111814	-5.282989	-5.3114209	-5.1206675	-5.095974	-4.9719095	1.2020918	1.1482617	230.75	243.75	274.625	299.625	173.75	204	66.125	77.5	24.25	27.625	5.75	8.125	0.5	0.25	0	0	0.089400925	0.2044843	0.023469388	0.06892895	1.1877036	1.2223293	1.0598711	1.1438199	1.0759208	1.326102	1.2929488	1.5725712	1.5141792	1.7542367	1.8226515	1.587697	1.5276124	0.66949153	1.2021793	0.64662075	0.81477576	0.58098698	2.2796693	1.1939826	3.7727251	1.6563478	4.1858115	1.9915111	4.3511286	2.0577304	4.5800614	2.5141923	5.3393946	4.991188	0	0	1.4401109	1.2103776	407.4339	250.85149	586.75	303.625	831.625	711.75	411	434.375	177.75	219.75	66.125	81	24.25	28.5	5.75	8.125	0.5	0.25	0	0	600.875	468	136.375	134.75	4	15.75	0	3.5	0	0.875	0	0	0	0	0	0	282.336	123.111	627	88	48	9	122	40
Artemisinin	Pyridoxine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	OCc1c(O)c(C)ncc1CO	3.8050928	0.88575733	-88182.25	-54066.242	-667016.75	-270181.5	-154.65057	-118.81479	-10.56012	-9.3434296	10.56012	9.3434296	0.87564999	-0.18725	45.079445	24.920723	456.67719	350.58551	0	0	0	0	456.67719	350.58551	0	0	0	0	0	0	1	1	1	1	4	4	0	0	0	6	0	0	42	23	0	3	4	7	20	12	12	8	58.156837	37.233288	1.3846866	1.6188387	0	0	0	0	15	8	0	0	0	0	22	11	0	0	0	1	5	3	0	0	0	0	1.8182865	2.6170022	-2.8763011	-2.3676884	-0.46847317	-0.61088532	0.48142555	0.66312599	2.9546874	2.3723109	-2.9138391	-2.2562613	-0.40296918	-0.59132522	0.52481794	0.58089173	2.9398463	2.5084975	-2.6583734	-2.105444	-0.33618459	-0.4126929	0.60764611	0.82390565	3.1623287	2.6349783	30.756554	13.345277	0	2	0	0.16666667	0	6	45	23	1	0	23	12	3	3	0	2	0	0.16666667	44	17	0	0	0	0	0	0	14.120955	9.1378279	12.25642	6.7804184	10.215178	4.9915638	10.292529	5.4307213	9.4617796	5.7019072	7.713058	3.5836499	6.0543661	2.2457819	6.0990243	2.8020952	7	0	7	0	0	0	0	0	1.0725014	1.0707594	0.76930565	0.77375305	7	6	0	0	0	0	0	0	0	0	67.720932	23.565046	15.392588	5.3417959	-3.2059937	2.9748909	10.423069	9.8169193	0.004222634	4.78E-05	0	0	2.59E+12	1.33E+08	-9.7782021	-3.3616962	2.59E+12	1.33E+08	-3.9392874	-25.956884	0	0	8.5961571	4.9049382	13.212008	12.721946	33.304897	3.5013456	13.629063	6.8420281	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.78810817	-0.38651478	-0.42872486	-0.01928976	0.11587641	3.1303203	2.2377346	-0.89714968	-0.78201151	-0.31035468	-0.35701299	-0.002505066	-0.001345697	3.1423492	2.3554318	-0.53425395	-0.4979749	-0.21040775	-0.22535171	0.10722204	0.24783219	3.3267074	2.4945457	0.21797732	0.067569718	6.1551886	5.4339142	6.7819748	7.7051082	6.7819748	3.1154671	0.72404015	-0.12192598	0.72404015	0.090004876	-2.328289	-0.75354165	0	0	0.95388722	3.251416	7.165029	4.4343853	0	0.015961768	14	8.949954	14	8.5558596	1	2.3015025	0	0.33588868	13.648394	10.083333	4.2631578	4.296875	1.6952908	2.0408163	13.022482	8.0459042	4.0571489	3.3511446	1.6103241	1.5631479	2.6417074	2.2469158	5	4	0	3	1	1	0	0	3.582	-0.426	-3.4716799	0.37977999	3.2725534	0.80623198	-88505.227	-54266.457	-655666.63	-267887.47	-124.02571	-121.81	-10.87649	-9.3222303	10.87649	9.3222303	0.70187002	-0.38529	7.0486565	4.4394855	0	0	1	1	0.54197603	0.40250468	0.76507992	0.69389367	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.4154644	-1.578668	-1.4154644	0.169572	0.15358967	0.19891214	0.2757799	98.274422	33.959152	4.2653861	66.387589	0	0	0	0	12.263453	30.972517	14.708499	0	0	0	44.851616	18.747677	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	5.6825762	2.503756	23.30262	0.78448415	0.66513824	0.47116494	0.26658645	0.10538135	0.16188133	0.21551585	0.33486179	0.52883506	0.73341352	0.1101345	0.17298044	192.12025	119.09441	115.38834	47.732876	25.807903	28.985197	52.779854	59.957714	129.51176	131.31926	26.971952	30.972517	0.42857143	0.5	0.75	1	3.6450274	1.2454123	-82636.43	-49833.723	-653627.19	-263663.03	-158.23212	-113.46646	-10.78035	-9.4483995	10.78035	9.4483995	-0.15042999	-0.25266001	2210.6523	995.21667	1038.6576	382.15961	1466.22	658.81995	1916.4272	949.4538	1121.4878	437.95264	776.37323	498.93439	312.79126	58.329647	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	179.05214	0	0	0	0	0	0	244.9001	179.05214	0	0	4	3	1	0	2.7981894	2.4254053	4	1	0	0	0	0	0.1	0.25	2.3949001	0.61302	0	76.155678	7.7454643	16.78553	81.819725	0	0	0	17.643185	9.1278973	0	0	0	0	0	17.214357	75.473625	0	99.978043	80.421959	6.8046999	4.2894402	73.293228	0	0	92.941208	17.643185	0	8.5265026	14.371325	0	0	75.473625	59.066875	7.7454643	0	99.978043	33.326015	2.4099162	2.3420992	1.8617485	1.5739645	1.1251426	0.60880941	53.990002	73.580002	0.51481563	0.65002245	5.523562	4.5849624	2.5399911	2.3217623	8.4195395	6.889935	244.9001	179.05214	367.00107	218.64856	263.25	158	281.14902	189.96201	30.537619	5.6825762	0	0	0	0	0	0	160.29349	113.40005	33.029301	0	30.537619	46.383339	5.3953252	1.2251155	0.23970899	0.057723496	2.6517773	3.0113173	1.7756623	2.5846813	0.80558389	1.9631449	0.39811906	1.0338713	0.18423676	0.516985	0.050205711	0.19090189	0.004379716	0.057490367	0	0.031972136	578.125	283.875	340.375	161.25	271.25	122.75	245	96.25	218.5	70.25	157.125	44.75	79.625	19.625	31.75	9.5	7.228416	6.5383482	7.1763501	0.5	0.5	6.5192022	0.70710677	0.70710677	0.70710677	0.5	0.70710677	0.5	-2.2570698	-2.1787674	-2.2559736	-2.1594098	-2.2545061	-2.1116867	-5.4111814	-8.363677	-5.3114209	-8.2491417	-5.095974	-8.0630493	1.2020918	1.2031541	230.75	253.5	274.625	379.75	173.75	294.75	66.125	126.25	24.25	52.75	5.75	18.875	0.5	6.125	0	2.5	0.089400925	0.45010182	0.023469388	0.1974026	1.1877036	0.912431	1.0598711	1.0025758	1.0759208	1.1460907	1.2929488	1.4731947	1.5141792	1.8733099	1.8226515	1.9684645	1.5276124	2.0627458	1.2021793	2.1545148	0.81477576	0.17249949	2.2796693	0.32487726	3.7727251	0.38027787	4.1858115	0.33808976	4.3511286	0.61877942	4.5800614	1.6623616	5.3393946	3.7460306	0	3.9390244	1.4401109	1.2572989	407.4339	311.38181	586.75	391.5	831.625	835.875	411	597.25	177.75	342.375	66.125	135.875	24.25	55.25	5.75	19	0.5	6.125	0	2.5	600.875	582.375	136.375	217.5	4	47.625	0	9.625	0	2.5	0	0.125	0	0	0	0	282.336	169.17999	627	186	48	18	122	56
Artemisinin	3,3'-thiodipropionic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	S(CCC(=O)O)CCC(=O)O	3.8050928	2.4073458	-88182.25	-54976.996	-667016.75	-238914.28	-154.65057	-202.2048	-10.56012	-9.0167398	10.56012	9.0167398	0.87564999	0.22254001	45.079445	23.33593	456.67719	365.41269	0	0	0	0	456.67719	365.41269	0	0	0	0	0	0	1	2	1	3	4	4	0	0	0	0	0	0	42	21	0	4	4	8	20	11	12	5	58.156837	35.509609	1.3846866	1.6909338	0	0	0	0	15	6	0	0	0	0	22	10	0	0	0	0	5	4	0	0	0	1	1.8182865	2.9224656	-2.8763011	-2.4787278	-0.46847317	-0.51662642	0.48142555	0.4485645	2.9546874	2.5097871	-2.9138391	-2.4773335	-0.40296918	-0.47954595	0.52481794	0.39451656	2.9398463	2.5516443	-2.6583734	-2.2017922	-0.33618459	-0.30412439	0.60764611	0.58353126	3.1623287	2.8067472	30.756554	15.12807	0	6	0	0.60000002	0	0	45	20	1	2	23	10	3	6	0	6	0	0.60000002	44	18	0	0	0	0	0	0	14.120955	8.6902342	12.25642	6.7640958	10.215178	3.8284271	10.292529	3.9831276	9.4617796	5.1258979	7.713058	4.2946196	6.0543661	1.7071068	6.0990243	1.8164966	7	0	7	0	0	0	0	0	1.0725014	1.1562563	0.76930565	0.88110071	7	8	0	0	0	0	0	0	0	0	67.720932	-43.740486	15.392588	6.7277756	-3.2059937	-64.375427	10.423069	-63.985783	0.004222634	0.000232549	0	0	2.59E+12	4.43E+08	-9.7782021	-2.001792	2.59E+12	4.43E+08	-3.9392874	-21.606573	0	0	8.5961571	1.7515563	13.212008	13.116953	33.304897	11.76573	13.629063	0.38964272	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.74953979	-0.38651478	-0.47000799	-0.01928976	0.090191253	3.1303203	2.0966742	-0.89714968	-0.87473977	-0.31035468	-0.39955536	-0.002505066	0.083001055	3.1423492	2.142365	-0.53425395	-0.49396566	-0.21040775	-0.2347647	0.10722204	0.22059856	3.3267074	2.3676488	0.21797732	0.10061351	6.1551886	5.781702	6.7819748	9.1913824	6.7819748	3.5506637	0.72404015	-0.43859327	0.72404015	-0.24895953	-2.328289	-0.6857931	0	0	0.95388722	1.9090322	7.165029	4.184422	0	-1.9831018	14	4.6206975	14	14	1	1.0896726	0	5.7037544	13.648394	11	4.2631578	6.6942148	1.6952908	10	13.022482	10.68309	4.0571489	6.4808183	1.6103241	9.654047	2.6417074	6.2941055	5	4	0	2	1	1	0	0	3.582	0.029999999	-3.4716799	-0.33794001	3.2725534	3.4194822	-88505.227	-56001.145	-655666.63	-239364.28	-124.02571	-198.6937	-10.87649	-9.9994898	10.87649	9.9994898	0.70187002	0.71140999	7.0486565	4.2189078	0	0	1	1	0.54197603	0.16724233	0.76507992	0.93004197	19	0	1	1	4	0	1	6	0	0	0	0	0	0	1.578668	1.3525467	-1.578668	-1.3525467	0.169572	0.19250548	0.19891214	0.24490669	98.274422	72.880463	4.2653861	0	0	0	0	0	12.263453	20.648346	14.708499	29.416998	0	0	44.851616	0	37.495354	0	0	0	7.2334704	19.760618	7.2334704	0	16.070677	27.133842	2.503756	15.535081	0.78448415	0.49974865	0.47116494	0.33677369	0.10538135	0.23017582	0.21551585	0.50025135	0.52883506	0.66322631	0.1101345	0.27007553	192.12025	92.641083	115.38834	62.429539	25.807903	42.668922	52.779854	92.734268	129.51176	122.94581	26.971952	50.065342	0.42857143	0.5	0.75	1	3.6450274	3.3069882	-82636.43	-51366.672	-653627.19	-232533.91	-158.23212	-190.58031	-10.78035	-9.3924198	10.78035	9.3924198	-0.15042999	-0.24436	2210.6523	1554.7273	1038.6576	247.95515	1466.22	1378.8894	1916.4272	1482.61	1121.4878	914.07343	776.37323	232.73378	312.79126	407.92004	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	185.37535	0	0	0	0	0	0	244.9001	185.37535	0	0	4	4	1	0	2.7981894	2.9536805	4	0	0	0	0	0	0.1	0.090909094	2.3949001	0.66900003	0	0	7.7454643	15.490929	81.819725	47.724434	0	85.237579	17.643185	0	0	0	0	0	0	0	75.473625	37.736813	99.978043	32.21954	6.8046999	4.1831598	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	0	0	0	75.473625	37.736813	7.7454643	49.958057	99.978043	32.21954	2.4099162	2.7309811	1.8617485	1.0607556	1.1251426	0.86625725	53.990002	74.599998	0.51481563	0.64681429	5.523562	4.321928	2.5399911	2.9078338	8.4195395	6.526093	244.9001	185.37535	367.00107	202.2561	263.25	154.125	281.14902	193.18199	30.537619	0	0	0	0	0	0	0	160.29349	86.946716	33.029301	29.416998	30.537619	54.267685	5.3953252	2.4366622	0.23970899	0.055872351	2.6517773	3.0084426	1.7756623	2.6627109	0.80558389	1.828123	0.39811906	0.94966197	0.18423676	0.4788653	0.050205711	0.18994801	0.004379716	0.031217277	0	0	578.125	341.375	340.375	185.875	271.25	136.25	245	107.125	218.5	81.875	157.125	60.5	79.625	30	31.75	7.625	7.228416	0.5	7.1763501	1.8708287	0.5	2.2912879	0.70710677	1.5	0.70710677	2.0615528	0.70710677	0.70710677	-2.2570698	-1.9500402	-2.2559736	-1.9458994	-2.2545061	-1.9450972	-5.4111814	-5.6666646	-5.3114209	-5.6168437	-5.095974	-5.5434451	1.2020918	1.2331665	230.75	316.75	274.625	432	173.75	306.375	66.125	127.375	24.25	52.75	5.75	18.25	0.5	3	0	0	0.089400925	0.40000001	0.023469388	0.17036173	1.1877036	0.77455592	1.0598711	0.77486062	1.0759208	0.9028483	1.2929488	1.068365	1.5141792	1.2720863	1.8226515	1.4334673	1.5276124	1.0844188	1.2021793	2.668174	0.81477576	0.50217342	2.2796693	0.70983303	3.7727251	1.0085692	4.1858115	1.4739681	4.3511286	1.6358693	4.5800614	2.195617	5.3393946	2.7215586	0	0	1.4401109	1.2455982	407.4339	329.05875	586.75	409.875	831.625	901.375	411	615	177.75	337.25	66.125	135.75	24.25	54.5	5.75	18.25	0.5	3	0	0	600.875	584.625	136.375	183	4	30.875	0	8.375	0	1.75	0	0	0	0	0	0	282.336	178.20799	627	204	48	8	122	42
Artemisinin	Malic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)C(O)CC(=O)O	3.8050928	1.5393573	-88182.25	-50700.617	-667016.75	-193291.72	-154.65057	-238.26286	-10.56012	-11.52555	10.56012	11.52555	0.87564999	0.55717999	45.079445	15.050758	456.67719	285.18698	0	0	0	0	456.67719	285.18698	0	0	0	0	0	0	1	2	1	3	4	5	0	0	0	0	0	0	42	15	0	5	4	10	20	9	12	2	58.156837	23.483944	1.3846866	1.5655962	0	0	0	0	15	4	0	0	0	0	22	6	0	0	0	0	5	5	0	0	0	0	1.8182865	3.41747	-2.8763011	-2.3750038	-0.46847317	-0.57109618	0.48142555	0.55431527	2.9546874	2.5229843	-2.9138391	-2.5496554	-0.40296918	-0.58060384	0.52481794	0.45514345	2.9398463	2.3725088	-2.6583734	-2.1868501	-0.33618459	-0.38293737	0.60764611	0.67162937	3.1623287	2.7025621	30.756554	8.4752417	0	3	0	0.375	0	0	45	14	1	2	23	8	3	4	0	3	0	0.375	44	12	0	0	0	0	0	0	14.120955	7.4391575	12.25642	4.4425945	10.215178	2.284457	10.292529	2.4391575	9.4617796	4.036581	7.713058	2.1641376	6.0543661	1.0504768	6.0990243	1.1498299	7	1	7	1	0	0	0	0	1.0725014	1.2892981	0.76930565	0.96094167	7	5	0	0	0	0	0	0	0	0	67.720932	-7.3393712	15.392588	5.6087723	-3.2059937	-34.827438	10.423069	-34.088264	0.004222634	7.55E-05	0	0	2.59E+12	1.39E+09	-9.7782021	-4.1429849	2.59E+12	1.39E+09	-3.9392874	-20.837627	0	0	8.5961571	1.744642	13.212008	13.40046	33.304897	19.395401	13.629063	0.73917544	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75970745	-0.38651478	-0.49458456	-0.01928976	0.14522955	3.1303203	1.9724836	-0.89714968	-0.93471968	-0.31035468	-0.49180147	-0.002505066	0.038335163	3.1423492	1.8352696	-0.53425395	-0.50201374	-0.21040775	-0.25396827	0.10722204	0.23831475	3.3267074	2.1572213	0.21797732	0.24445905	6.1551886	5.4944606	6.7819748	10.278439	6.7819748	2.571224	0.72404015	-1.4709896	0.72404015	-1.2413918	-2.328289	0.45312041	0	0	0.95388722	1.9093009	7.165029	2.8045599	0	-1.9946911	14	3.7752619	14	14	1	1.0366744	0	7.5503111	13.648394	9	4.2631578	3.9200001	1.6952908	4.5	13.022482	7.1872501	4.0571489	3.03104	1.6103241	3.3716249	2.6417074	2.4205379	5	5	0	3	1	1	0	0	3.582	-1.1849999	-3.4716799	0.73839998	3.2725534	1.3778665	-88505.227	-50938.016	-655666.63	-194137.05	-124.02571	-230.22131	-10.87649	-11.47347	10.87649	11.47347	0.70187002	0.51165998	7.0486565	2.6438894	0	0	1	1	0.54197603	0.45371258	0.76507992	0.84437102	19	0	1	1	4	0	1	3	0	0	0	0	0	0	1.578668	1.5691146	-1.578668	-1.5691146	0.169572	0.1841308	0.19891214	0.2429779	98.274422	8.5307722	4.2653861	12.9667	0	4.9049287	0	0	12.263453	30.972517	14.708499	29.416998	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	23.30262	0.78448415	0.19239752	0.47116494	0.36753666	0.10538135	0.36753666	0.21551585	0.80760247	0.52883506	0.63246334	0.1101345	0.4400658	192.12025	26.402401	115.38834	50.436462	25.807903	50.436462	52.779854	110.82598	129.51176	86.791916	26.971952	60.389515	0.42857143	0.40000001	0.75	0.66666669	3.6450274	1.5492615	-82636.43	-46954.199	-653627.19	-189909.34	-158.23212	-229.24678	-10.78035	-11.45342	10.78035	11.45342	-0.15042999	0.50256002	2210.6523	560.20123	1038.6576	221.202	1466.22	411.66272	1916.4272	487.53772	1121.4878	241.19333	776.37323	86.162277	312.79126	232.8456	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	137.22838	0	0	0	0	0	0	244.9001	137.22838	0	0	4	3	1	0	2.7981894	2.0439897	4	0	0	0	0	0	0.1	0	2.3949001	-1.0934	0	25.385227	7.7454643	15.490929	81.819725	54.193081	0	50.770454	17.643185	0	0	0	0	0	0	0	75.473625	18.868406	99.978043	0	6.8046999	2.58954	73.293228	47.724434	0	25.385227	17.643185	50.770454	8.5265026	6.4686494	0	0	75.473625	18.868406	7.7454643	15.490929	99.978043	0	2.4099162	1.60786	1.8617485	1.259228	1.1251426	0.79497099	53.990002	94.830002	0.51481563	0.71696228	5.523562	4	2.5399911	2.2607846	8.4195395	5.9966536	244.9001	137.22838	367.00107	139.53708	263.25	104	281.14902	139.07541	30.537619	0	0	0	0	0	0	0	160.29349	24.267014	33.029301	29.416998	30.537619	67.834602	5.3953252	1.0430367	0.23970899	0.021743516	2.6517773	3.2906959	1.7756623	2.9932897	0.80558389	2.3966596	0.39811906	1.5454051	0.18423676	0.83472466	0.050205711	0.3535319	0.004379716	0.087564424	0	0.027780995	578.125	143.5	340.375	77.625	271.25	53.5	245	36.75	218.5	25.125	157.125	16.25	79.625	8.375	31.75	2.375	7.228416	0.86602539	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	1.118034	0.70710677	0.70710677	-2.2570698	-1.9718407	-2.2559736	-1.7751547	-2.2545061	-1.7277142	-5.4111814	-7.1821656	-5.3114209	-7.0984507	-5.095974	-7.0223408	1.2020918	1.1777283	230.75	326.625	274.625	437.375	173.75	328.5	66.125	157	24.25	69.125	5.75	25.5	0.5	6.75	0	1.875	0.089400925	1.3387851	0.023469388	0.70068026	1.1877036	1.143117	1.0598711	1.0764155	1.0759208	1.0433309	1.2929488	1.2477521	1.5141792	1.5378264	1.8226515	2.1036892	1.5276124	2.7932026	1.2021793	1.7735959	0.81477576	0.33276126	2.2796693	0.37042975	3.7727251	0.39267737	4.1858115	0.26916856	4.3511286	0.19140676	4.5800614	0.8138063	5.3393946	2.5497499	0	3.5384538	1.4401109	1.1669935	407.4339	251.60809	586.75	293.625	831.625	794.625	411	603.375	177.75	373.625	66.125	169.25	24.25	71.625	5.75	25.75	0.5	6.75	0	1.875	600.875	468	136.375	166	4	45.125	0	12.25	0	2.5	0	0.25	0	0	0	0	282.336	134.08699	627	96	48	8	122	36
Artemisinin	Trans-Aconitic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)/C(=C/C(=O)O)/CC(=O)O	3.8050928	2.0453002	-88182.25	-63985.156	-667016.75	-275420.91	-154.65057	-259.85785	-10.56012	-11.34053	10.56012	11.34053	0.87564999	-1.35823	45.079445	19.372759	456.67719	321.73376	0	0	0	0	456.67719	321.73376	0	0	0	0	0	0	1	2	1	4	4	6	0	0	0	0	0	0	42	18	0	6	4	12	20	12	12	3	58.156837	28.529325	1.3846866	1.5849625	0	0	0	0	15	6	0	0	0	0	22	6	0	0	0	0	5	6	0	0	0	0	1.8182865	3.9197996	-2.8763011	-2.2422411	-0.46847317	-0.5613867	0.48142555	0.53741032	2.9546874	2.3836627	-2.9138391	-2.3178949	-0.40296918	-0.5392409	0.52481794	0.49192664	2.9398463	2.3437243	-2.6583734	-2.0173466	-0.33618459	-0.35454729	0.60764611	0.66780323	3.1623287	2.6125028	30.756554	9.4332418	0	4	0	0.36363637	0	0	45	17	1	4	23	11	3	2	0	4	0	0.36363637	44	13	0	0	0	0	0	0	14.120955	9.7236147	12.25642	5.8508425	10.215178	3.284457	10.292529	3.7236147	9.4617796	5.430428	7.713058	2.8176498	6.0543661	1.5344571	6.0990243	1.9663265	7	0	7	0	0	0	0	0	1.0725014	1.2743495	0.76930565	0.94792604	7	6	0	0	0	0	0	0	0	0	67.720932	-24.221611	15.392588	7.2038841	-3.2059937	-73.703773	10.423069	-69.147896	0.004222634	0.00013646	0	0	2.59E+12	1.62E+10	-9.7782021	-4.9293208	2.59E+12	1.62E+10	-3.9392874	-25.53043	0	0	8.5961571	2.0414343	13.212008	35.554096	33.304897	35.680828	13.629063	4.5558786	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.70500696	-0.38651478	-0.49468765	-0.01928976	0.13566189	3.1303203	2.0124328	-0.89714968	-0.87723362	-0.31035468	-0.47377303	-0.002505066	0.078926235	3.1423492	1.9564818	-0.53425395	-0.45697552	-0.21040775	-0.24624968	0.10722204	0.23986219	3.3267074	2.243305	0.21797732	0.15643932	6.1551886	6.570302	6.7819748	11.610435	6.7819748	2.818404	0.72404015	-1.219412	0.72404015	-0.56521904	-2.328289	-0.393565	0	0	0.95388722	3.9930258	7.165029	3.8335502	0	-2.985889	14	3.6137271	14	14	1	1.0938377	0	10.724597	13.648394	12	4.2631578	5.6122451	1.6952908	6.25	13.022482	8.6742935	4.0571489	3.923228	1.6103241	4.2545938	2.6417074	2.8359361	5	6	0	3	1	1	0	0	3.582	-0.54500002	-3.4716799	0.02461	3.2725534	1.6756936	-88505.227	-64248.586	-655666.63	-274831.78	-124.02571	-251.58867	-10.87649	-11.20056	10.87649	11.20056	0.70187002	-0.92609	7.0486565	3.605309	0	0	1	1	0.54197603	0.45499974	0.76507992	0.69777441	19	1	1	1	4	0	1	4	0	0	0	0	0	0	1.578668	1.7713014	-1.578668	-1.7713014	0.169572	0.16252932	0.19891214	0.18687959	98.274422	22.994215	4.2653861	12.9667	0	0	0	0	12.263453	30.972517	14.708499	44.125496	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	40.700764	2.503756	23.30262	0.78448415	0.2054178	0.47116494	0.36560345	0.10538135	0.36560345	0.21551585	0.79458219	0.52883506	0.63439655	0.1101345	0.42897877	192.12025	35.960915	115.38834	64.00338	25.807903	64.00338	52.779854	139.10139	129.51176	111.05893	26.971952	75.098015	0.42857143	0.5	0.75	1	3.6450274	1.1672437	-82636.43	-59183.902	-653627.19	-270227.19	-158.23212	-255.15875	-10.78035	-11.26601	10.78035	11.26601	-0.15042999	-0.97039002	2210.6523	986.84802	1038.6576	417.15067	1466.22	639.73016	1916.4272	916.81519	1121.4878	359.41699	776.37323	465.11328	312.79126	162.31772	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	175.06232	0	0	0	0	0	0	244.9001	175.06232	0	0	4	3	1	0	2.7981894	2.3807609	4	0	0	0	0	0	0.1	0	2.3949001	-0.44330001	0	0	7.7454643	23.236393	81.819725	71.586647	0	76.155678	17.643185	0	0	3.185575	0	0	0	17.643185	75.473625	18.868406	99.978043	0	6.8046999	3.56074	73.293228	71.586647	0	0	17.643185	76.155678	8.5265026	3.185575	0	0	75.473625	36.511589	7.7454643	23.236393	99.978043	0	2.4099162	1.9467249	1.8617485	1.4301785	1.1251426	0.76997662	53.990002	111.9	0.51481563	0.61674827	5.523562	4.4594316	2.5399911	2.5064921	8.4195395	6.8707986	244.9001	175.06232	367.00107	183.67255	263.25	136.625	281.14902	170.61348	30.537619	0	0	0	0	0	0	0	160.29349	33.825527	33.029301	44.125496	30.537619	81.401527	5.3953252	0.94215548	0.23970899	0.028355947	2.6517773	3.1534598	1.7756623	2.873714	0.80558389	2.2584941	0.39811906	1.4402676	0.18423676	0.79505074	0.050205711	0.35476294	0.004379716	0.091629967	0	0.022747569	578.125	222.625	340.375	120.625	271.25	85.5	245	66.625	218.5	47.5	157.125	34.375	79.625	16.625	31.75	5.375	7.228416	6.5954528	7.1763501	6.6520672	0.5	0.5	0.70710677	0.70710677	0.70710677	8.0622578	0.70710677	7.5828753	-2.2570698	-1.8011436	-2.2559736	-1.7799757	-2.2545061	-1.7324468	-5.4111814	-6.6392655	-5.3114209	-6.629272	-5.095974	-6.5677686	1.2020918	1.1951046	230.75	319.125	274.625	445.625	173.75	360.125	66.125	174	24.25	79.375	5.75	30	0.5	7.5	0	1.875	0.089400925	0.95175439	0.023469388	0.45403376	1.1877036	0.48148394	1.0598711	0.44644794	1.0759208	0.43213707	1.2929488	0.50404304	1.5141792	0.58622748	1.8226515	0.73445994	1.5276124	1.1762784	1.2021793	1.7639116	0.81477576	0.13036542	2.2796693	0.18297911	3.7727251	0.26332098	4.1858115	0.41619036	4.3511286	0.55330914	4.5800614	1.1712043	5.3393946	2.1106722	0	2.2756336	1.4401109	1.2292969	407.4339	291.73178	586.75	358.625	831.625	883.375	411	661.375	177.75	409.375	66.125	185.75	24.25	81.375	5.75	30.25	0.5	7.5	0	1.875	600.875	564.25	136.375	215.75	4	49.25	0	11.75	0	2	0	0.25	0	0	0	0	282.336	174.108	627	211	48	12	122	50
Artemisinin	L-Ascorbic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1C(O)=C(O)C(C(O)CO)O1	3.8050928	0.96047229	-88182.25	-64592.992	-667016.75	-294290.59	-154.65057	-237.87376	-10.56012	-9.5547304	10.56012	9.5547304	0.87564999	-0.44292	45.079445	20.706345	456.67719	333.16336	0	0	0	0	456.67719	333.16336	0	0	0	0	0	0	1	2	1	3	4	5	0	0	0	0	0	0	42	20	0	4	4	9	20	12	12	5	58.156837	31.419012	1.3846866	1.5709506	0	0	0	0	15	6	0	0	0	0	22	8	0	0	0	0	5	6	0	0	0	0	1.8182865	2.5964684	-2.8763011	-2.5009716	-0.46847317	-0.69562441	0.48142555	0.74367368	2.9546874	2.6227434	-2.9138391	-2.6801896	-0.40296918	-0.82934767	0.52481794	0.55678648	2.9398463	2.4504216	-2.6583734	-2.3007514	-0.33618459	-0.57124507	0.60764611	0.82933503	3.1623287	2.8135939	30.756554	11.619656	0	2	0	0.16666667	0	0	45	20	1	2	23	12	3	5	0	2	0	0.16666667	44	18	0	0	0	0	0	0	14.120955	9.3009653	12.25642	5.9671583	10.215178	3.3618073	10.292529	3.5938582	9.4617796	5.5745859	7.713058	3.1958475	6.0543661	1.5302567	6.0990243	1.7415817	7	2	7	2	0	0	0	0	1.0725014	1.2648042	0.76930565	0.94384623	7	6	0	0	0	0	0	0	0	0	67.720932	84.676659	15.392588	28.339855	-3.2059937	40.22583	10.423069	40.754166	0.004222634	0.000209652	0	0	2.59E+12	2.51E+08	-9.7782021	-6.5535421	2.59E+12	2.51E+08	-3.9392874	-20.836882	0	0	8.5961571	1.3145007	13.212008	10.810195	33.304897	14.267927	13.629063	0.52833647	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.79077744	-0.38651478	-0.45987651	-0.01928976	0.20419729	3.1303203	2.2362881	-0.89714968	-0.93982822	-0.31035468	-0.58208936	-0.002505066	0.06112713	3.1423492	2.1189663	-0.53425395	-0.52164072	-0.21040775	-0.27547947	0.10722204	0.24744362	3.3267074	2.4318523	0.21797732	0.086345121	6.1551886	6.2228479	6.7819748	10.283262	6.7819748	2.6371441	0.72404015	-1.162369	0.72404015	-1.2045313	-2.328289	0.17346713	0	0	0.95388722	2.2486045	7.165029	3.7691567	0	-0.3312684	14	7.3029218	14	9.9075994	1	1.9227129	0	5.4272466	13.648394	10.083333	4.2631578	3.8062284	1.6952908	1.8595041	13.022482	8.6589355	4.0571489	3.2191904	1.6103241	1.5539644	2.6417074	2.322897	5	6	0	4	1	1	0	0	3.582	-1.253	-3.4716799	0.40355	3.2725534	1.9420129	-88505.227	-64900.199	-655666.63	-292748.22	-124.02571	-249.86758	-10.87649	-9.5278902	10.87649	9.5278902	0.70187002	-0.51577997	7.0486565	3.5380616	0	0	1	1	0.54197603	0.30403087	0.76507992	0.75833136	19	5	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	2.0448661	-1.578668	-2.0448661	0.169572	0.15636043	0.19891214	0.19187789	98.274422	0	4.2653861	32.012836	0	18.268377	0	8.458519	12.263453	41.296692	14.708499	0	0	14.708499	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	16.070677	2.503756	31.070162	0.78448415	0.36284682	0.47116494	0.29119816	0.10538135	0.29119816	0.21551585	0.63715321	0.52883506	0.70880181	0.1101345	0.34595501	192.12025	58.739735	115.38834	47.140839	25.807903	47.140839	52.779854	103.14603	129.51176	114.74493	26.971952	56.005188	0.42857143	0.5	0.75	1	3.6450274	1.3534585	-82636.43	-59869.68	-653627.19	-288439.88	-158.23212	-233.77657	-10.78035	-9.4807596	10.78035	9.4807596	-0.15042999	-0.35505	2210.6523	1086.2043	1038.6576	320.25378	1466.22	798.79553	1916.4272	1053.3595	1121.4878	513.74237	776.37323	452.36594	312.79126	120.09608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	161.88576	0	0	0	0	0	0	244.9001	161.88576	0	0	4	3	1	0	2.7981894	2.4833992	4	1	0	0	0	0	0.1	0.58333331	2.3949001	-1.4074	0	50.770454	7.7454643	7.7454643	81.819725	47.799404	0	71.696709	17.643185	0	0	10.486856	0	0	0	0	75.473625	0	99.978043	0	6.8046999	3.52562	73.293228	34.862103	0	50.770454	17.643185	50.770454	8.5265026	23.424154	0	0	75.473625	0	7.7454643	28.671722	99.978043	0	2.4099162	2.2843928	1.8617485	1.2675908	1.1251426	0.67125833	53.990002	107.22	0.51481563	0.65002245	5.523562	4.5849624	2.5399911	2.3822954	8.4195395	6.878418	244.9001	161.88576	367.00107	186.60243	263.25	139.25	281.14902	174.07262	30.537619	13.566921	0	0	0	0	0	0	160.29349	55.892551	33.029301	17.212255	30.537619	67.834602	5.3953252	1.5037235	0.23970899	0.034120392	2.6517773	3.1175654	1.7756623	2.866082	0.80558389	2.1995239	0.39811906	1.2295634	0.18423676	0.70091075	0.050205711	0.35531318	0.004379716	0.11602239	0	0.028843053	578.125	261.125	340.375	145.75	271.25	100.625	245	78.75	218.5	58.5	157.125	42.875	79.625	29.5	31.75	17	7.228416	0.5	7.1763501	1	0.5	0.5	0.70710677	5.1234756	0.70710677	5.0497522	0.70710677	0.5	-2.2570698	-2.1731808	-2.2559736	-2.1653619	-2.2545061	-2.1514442	-5.4111814	-8.1708202	-5.3114209	-7.1400108	-5.095974	-7.037508	1.2020918	1.2019773	230.75	296.25	274.625	412.875	173.75	317.125	66.125	145.875	24.25	70.75	5.75	30.875	0.5	10.125	0	2.875	0.089400925	0.73664594	0.023469388	0.3984127	1.1877036	0.75805932	1.0598711	0.67243654	1.0759208	0.710922	1.2929488	0.82510132	1.5141792	1.0717442	1.8226515	1.4806904	1.5276124	1.8366988	1.2021793	1.9375224	0.81477576	0.29023364	2.2796693	0.40335649	3.7727251	0.59403473	4.1858115	0.67416459	4.3511286	0.89579773	4.5800614	1.23636	5.3393946	2.0253711	0	3.3292043	1.4401109	1.2300291	407.4339	297.14743	586.75	365.5	831.625	865.625	411	638.625	177.75	374.5	66.125	160.5	24.25	74.125	5.75	31.375	0.5	10.125	0	2.875	600.875	569.375	136.375	225.75	4	57.375	0	14.625	0	3.375	0	0.5	0	0	0	0	282.336	176.12399	627	188	48	17	122	58
Artemisinin	Riboflavin	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1N=C2N(CC(O)C(O)C(O)CO)c3c(N=C2C(=O)N1)cc(C)c(C)c3	3.8050928	8.1208982	-88182.25	-119971.64	-667016.75	-893030.75	-154.65057	-188.34644	-10.56012	-9.1690502	10.56012	9.1690502	0.87564999	-1.64407	45.079445	52.467861	456.67719	592.59241	0	0	0	0	456.67719	592.59241	0	0	0	0	0	0	1	3	1	5	4	8	0	0	0	6	0	0	42	47	0	5	4	13	20	27	12	13	58.156837	81.63047	1.3846866	1.7368186	0	0	0	0	15	17	0	0	0	0	22	20	0	0	0	4	5	6	0	0	0	0	1.8182865	1.8318633	-2.8763011	-2.6422694	-0.46847317	-0.62805891	0.48142555	0.63818932	2.9546874	2.6822796	-2.9138391	-2.8361907	-0.40296918	-0.65420026	0.52481794	0.53626537	2.9398463	2.5363755	-2.6583734	-2.419152	-0.33618459	-0.43298697	0.60764611	0.80107641	3.1623287	2.9013417	30.756554	29.060141	0	5	0	0.1724138	0	6	45	49	1	4	23	29	3	7	0	5	0	0.1724138	44	39	0	0	0	0	0	0	14.120955	19.877951	12.25642	14.747956	10.215178	10.300965	10.292529	11.17928	9.4617796	12.722453	7.713058	8.2948055	6.0543661	4.6378636	6.0990243	5.6041903	7	3	7	3	0	0	0	0	1.0725014	1.1439787	0.76930565	0.81937075	7	11	0	0	0	0	0	0	0	0	67.720932	59.136795	15.392588	12.797642	-3.2059937	-9.3618603	10.423069	6.9291735	0.004222634	0.000527827	0	6.10E-05	2.59E+12	4.32E+11	-9.7782021	-4.7135372	2.59E+12	4.32E+11	-3.9392874	-46.284283	0	0	8.5961571	8.4922256	13.212008	38.788399	33.304897	30.917227	13.629063	16.291033	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.82960212	-0.38651478	-0.45778766	-0.01928976	0.11300486	3.1303203	2.7400076	-0.89714968	-1.1704826	-0.31035468	-0.46408653	-0.002505066	0.026157906	3.1423492	2.7364149	-0.53425395	-0.52599502	-0.21040775	-0.23169312	0.10722204	0.22149152	3.3267074	3.0150979	0.21797732	0.12525357	6.1551886	12.165148	6.7819748	14.916709	6.7819748	5.8196797	0.72404015	0.84842765	0.72404015	1.1419178	-2.328289	-3.0876336	0	0	0.95388722	7.9139967	7.165029	9.6670046	0	-0.64043641	14	6.7490888	14	10.719789	1	2.0665627	0	0.64032197	13.648394	21.702734	4.2631578	8.7885342	1.6952908	4.4518433	13.022482	16.455555	4.0571489	6.5876555	1.6103241	3.3085999	2.6417074	4.0149455	5	10	0	5	1	1	0	0	3.582	-1.212	-3.4716799	-3.0825901	3.2725534	7.7066617	-88505.227	-120349.63	-655666.63	-881165.44	-124.02571	-195.36797	-10.87649	-9.2977896	10.87649	9.2977896	0.70187002	-1.75152	7.0486565	9.2935705	0	0	1	1	0.54197603	0.44168156	0.76507992	0.65397364	19	16	1	1	4	3	1	5	0	1	0	0	0	0	1.578668	3.2978964	-1.578668	-3.2978964	0.169572	0.10628451	0.19891214	0.1189777	98.274422	25.592316	4.2653861	79.93119	0	14.714787	0	26.509127	12.263453	41.296692	14.708499	12.949531	0	17.440542	44.851616	66.422241	37.495354	0	0	0	7.2334704	5.6825762	7.2334704	19.249496	16.070677	13.703812	2.503756	31.070162	0.78448415	0.61724591	0.47116494	0.38393316	0.10538135	0.18057035	0.21551585	0.38275409	0.52883506	0.61606687	0.1101345	0.20218372	192.12025	218.85225	115.38834	136.12828	25.807903	64.023468	52.779854	135.71024	129.51176	218.43419	26.971952	71.686768	0.42857143	0.45454547	0.75	0.83333331	3.6450274	6.6955562	-82636.43	-109176.91	-653627.19	-874949.31	-158.23212	-212.30856	-10.78035	-9.0281897	10.78035	9.0281897	-0.15042999	-1.71743	2210.6523	5840.9595	1038.6576	2462.0884	1466.22	3645.4792	1916.4272	5574.3516	1121.4878	2521.3723	776.37323	2872.5801	312.79126	447.00702	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	354.56247	0	0	0	0	0	0	244.9001	354.56247	0	0	4	6	1	0	2.7981894	3.9394462	4	3	0	0	0	0	0.1	0.44444445	2.3949001	-1.08076	0	122.67597	7.7454643	15.173408	81.819725	43.268166	0	39.365837	17.643185	6.37115	0	33.57106	0	0	0	35.286369	75.473625	0	99.978043	96.02774	6.8046999	9.6436901	73.293228	47.724434	0	135.11197	17.643185	21.135065	8.5265026	25.777098	0	5.513495	75.473625	35.286369	7.7454643	54.539246	99.978043	66.652031	2.4099162	2.97527	1.8617485	2.6710107	1.1251426	1.0529832	53.990002	155.05	0.51481563	0.40063059	5.523562	5.8579812	2.5399911	3.218976	8.4195395	9.2616816	244.9001	354.56247	367.00107	459.33908	263.25	329	281.14902	368.4462	30.537619	38.498993	0	0	0	0	0	5.6825762	160.29349	175.98361	33.029301	48.280186	30.537619	98.449257	5.3953252	4.3805156	0.23970899	0.050472707	2.6517773	2.7469614	1.7756623	2.2817206	0.80558389	1.8853104	0.39811906	1.0711942	0.18423676	0.61839294	0.050205711	0.36325467	0.004379716	0.21836501	0	0.10543169	578.125	632.5	340.375	375	271.25	288	245	235.375	218.5	192.875	157.125	149.5	79.625	86.75	31.75	62	7.228416	6.745369	7.1763501	0.5	0.5	6.9462218	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.8824227	-2.2559736	-2.740257	-2.2545061	-2.7167339	-5.4111814	-9.5728979	-5.3114209	-9.1600933	-5.095974	-8.9277639	1.2020918	1.3459841	230.75	388.875	274.625	523.625	173.75	473.5	66.125	245.75	24.25	127.25	5.75	70.5	0.5	36.875	0	15.875	0.089400925	0.4704861	0.023469388	0.30270845	1.1877036	1.9676664	1.0598711	1.9390491	1.0759208	2.2312331	1.2929488	2.6361217	1.5141792	3.0093465	1.8226515	2.9558017	1.5276124	2.0472412	1.2021793	1.9899577	0.81477576	0.60320288	2.2796693	1.4508127	3.7727251	1.81155	4.1858115	2.1157382	4.3511286	2.2063708	4.5800614	2.1661503	5.3393946	1.9928209	0	1.4679941	1.4401109	1.401382	407.4339	541.60822	586.75	759	831.625	1429	411	983.75	177.75	622.125	66.125	278.25	24.25	135.5	5.75	71.25	0.5	36.875	0	15.875	600.875	1040.125	136.375	460.125	4	148.625	0	32.5	0	8.25	0	0.75	0	0	0	0	282.336	376.36899	627	1698	48	49	122	144
Artemisinin	Paracetamol	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(Nc1ccc(O)cc1)C	3.8050928	2.6221473	-88182.25	-46027.703	-667016.75	-211907.94	-154.65057	-59.09457	-10.56012	-8.4655199	10.56012	8.4655199	0.87564999	0.25455999	45.079445	22.785137	456.67719	342.47772	0	0	0	0	456.67719	342.47772	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	20	0	2	4	4	20	11	12	7	58.156837	31.909237	1.3846866	1.5954618	0	0	0	0	15	8	0	0	0	0	22	9	0	0	0	1	5	2	0	0	0	0	1.8182865	2.2054572	-2.8763011	-2.2998581	-0.46847317	-0.61590123	0.48142555	0.62525588	2.9546874	2.2784643	-2.9138391	-2.3489609	-0.40296918	-0.55154735	0.52481794	0.67019856	2.9398463	2.3865898	-2.6583734	-1.9821142	-0.33618459	-0.44730929	0.60764611	0.78438872	3.1623287	2.5906546	30.756554	11.456863	0	1	0	0.090909094	0	6	45	20	1	1	23	11	3	2	0	2	0	0.18181819	44	13	0	0	0	0	0	0	14.120955	8.2675848	12.25642	6.1648631	10.215178	4.809401	10.292529	5.5604777	9.4617796	5.1815405	7.713058	3.2490981	6.0543661	2.3213673	6.0990243	3.2103434	7	0	7	0	0	0	0	0	1.0725014	1.0283333	0.76930565	0.74203622	7	7	0	0	0	0	0	0	0	0	67.720932	-13.880193	15.392588	5.5964031	-3.2059937	-42.233067	10.423069	-31.804945	0.004222634	0.000179171	0	0	2.59E+12	2.58E+11	-9.7782021	-3.8982153	2.59E+12	2.58E+11	-3.9392874	-16.360397	0	0	8.5961571	3.7313185	13.212008	10.004702	33.304897	8.5968523	13.629063	10.428119	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81409049	-0.38651478	-0.45780459	-0.01928976	0.082701199	3.1303203	2.0724747	-0.89714968	-0.99736053	-0.31035468	-0.31261334	-0.002505066	0.12389528	3.1423492	2.2220063	-0.53425395	-0.46823248	-0.21040775	-0.23143777	0.10722204	0.20670979	3.3267074	2.373507	0.21797732	0.025435461	6.1551886	2.8072677	6.7819748	7.0392466	6.7819748	2.7336121	0.72404015	1.0882716	0.72404015	1.0881463	-2.328289	-1.4732229	0	0	0.95388722	4.4597535	7.165029	4.2467012	0	-0.001280073	14	9.8922091	14	14	1	1.0098538	0	0.000763623	13.648394	9.090909	4.2631578	4.1326532	1.6952908	3.2653062	13.022482	6.1692924	4.0571489	2.6813617	1.6103241	2.0340402	2.6417074	1.5038276	5	3	0	2	1	1	0	0	3.582	0.889	-3.4716799	-1.23238	3.2725534	3.1528637	-88505.227	-46165.371	-655666.63	-211401.44	-124.02571	-63.83979	-10.87649	-8.8845196	10.87649	8.8845196	0.70187002	0.086259998	7.0486565	4.2307181	0	0	1	1	0.54197603	0.14663438	0.76507992	0.88946933	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.091136	-1.578668	-1.091136	0.169572	0.20358108	0.19891214	0.32977641	98.274422	38.243385	4.2653861	25.520063	0	0	0	8.6190128	12.263453	23.273705	14.708499	0	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	7.9044313	0.78448415	0.73069018	0.47116494	0.42426834	0.10538135	0.12923095	0.21551585	0.26930982	0.52883506	0.57573169	0.1101345	0.14007887	192.12025	121.40208	115.38834	70.490967	25.807903	21.471352	52.779854	44.745056	129.51176	95.656166	26.971952	23.273705	0.42857143	0.42857143	0.75	0.75	3.6450274	2.3593779	-82636.43	-42345.938	-653627.19	-206280.09	-158.23212	-64.435822	-10.78035	-8.5842695	10.78035	8.5842695	-0.15042999	0.14544	2210.6523	998.0589	1038.6576	143.75471	1466.22	872.00146	1916.4272	980.36157	1121.4878	158.908	776.37323	746.61365	312.79126	92.537231	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	166.14714	0	0	0	0	0	0	244.9001	166.14714	0	0	4	4	1	0	2.7981894	2.5695226	4	1	0	0	0	0	0.1	0.72727275	2.3949001	1.3506	0	25.385227	7.7454643	23.269535	81.819725	23.862217	0	0	17.643185	0	0	0	0	0	0	70.572739	75.473625	0	99.978043	41.326191	6.8046999	4.2410498	73.293228	23.862217	0	25.385227	17.643185	0	8.5265026	5.2434282	0	20.767498	75.473625	70.572739	7.7454643	5.2587838	99.978043	33.326015	2.4099162	2.6814387	1.8617485	1.2461143	1.1251426	0.4276492	53.990002	49.330002	0.51481563	0.68403846	5.523562	4.4594316	2.5399911	2.5872664	8.4195395	6.5690522	244.9001	166.14714	367.00107	203.71646	263.25	147	281.14902	175.56148	30.537619	13.566921	0	0	0	0	0	5.6825762	160.29349	107.8005	33.029301	12.949531	30.537619	32.816418	5.3953252	1.42339	0.23970899	0.20253021	2.6517773	2.9295132	1.7756623	2.310179	0.80558389	1.2408469	0.39811906	0.53220707	0.18423676	0.21274824	0.050205711	0.03194708	0.004379716	0	0	0	578.125	441.375	340.375	257	271.25	191.875	245	162.5	218.5	137.25	157.125	101.25	79.625	62	31.75	29.375	7.228416	6.5383482	7.1763501	0.86602539	0.5	6.4031243	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.86602539	-2.2570698	-2.1081312	-2.2559736	-2.0949643	-2.2545061	-2.0442076	-5.4111814	-4.6884875	-5.3114209	-4.546155	-5.095974	-4.4195576	1.2020918	1.1931926	230.75	184.875	274.625	225.125	173.75	134.25	66.125	45.25	24.25	15.5	5.75	2.75	0.5	0	0	0	0.089400925	0.1009772	0.023469388	0.016923077	1.1877036	0.38018149	1.0598711	0.45126364	1.0759208	0.6897828	1.2929488	0.80959594	1.5141792	0.90600407	1.8226515	0.64773017	1.5276124	0.93258959	1.2021793	1.2423031	0.81477576	0.20847005	2.2796693	0.54942191	3.7727251	0.76547641	4.1858115	0.86720431	4.3511286	0.870175	4.5800614	1.7265495	5.3393946	0	0	0	1.4401109	1.2569081	407.4339	303.52258	586.75	381.5	831.625	744.75	411	430.25	177.75	186.5	66.125	61.25	24.25	19.375	5.75	2.75	0.5	0	0	0	600.875	559.875	136.375	205.125	4	52.25	0	16	0	3.875	0	0	0	0	0	0	282.336	151.16499	627	166	48	11	122	50
Artemisinin	Carbamazepine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)N1c2c(cccc2)C=Cc2c1cccc2	3.8050928	3.6029067	-88182.25	-64991.828	-667016.75	-418019.56	-154.65057	51.984119	-10.56012	-8.5718603	10.56012	8.5718603	0.87564999	-0.45278999	45.079445	37.403515	456.67719	435.47382	0	0	0	0	456.67719	435.47382	0	0	0	0	0	0	1	1	1	1	4	1	0	0	0	12	0	0	42	30	0	1	4	2	20	18	12	14	58.156837	43.583809	1.3846866	1.4527936	0	0	0	0	15	15	0	0	0	0	22	12	0	0	0	2	5	1	0	0	0	0	1.8182865	1.8639469	-2.8763011	-2.3351021	-0.46847317	-0.62030143	0.48142555	0.66835022	2.9546874	2.3282804	-2.9138391	-2.5334697	-0.40296918	-0.49475202	0.52481794	0.7985543	2.9398463	2.4928625	-2.6583734	-1.9638009	-0.33618459	-0.45955586	0.60764611	0.82997555	3.1623287	2.6986876	30.756554	15.396484	0	1	0	0.050000001	0	12	45	32	1	2	23	20	3	2	0	1	0	0.050000001	44	18	0	0	0	0	0	0	14.120955	12.53517	12.25642	9.706315	10.215178	8.2735023	10.292529	9.957819	9.4617796	8.7708569	7.713058	5.7290039	6.0543661	4.5653839	6.0990243	6.6161566	7	0	7	0	0	0	0	0	1.0725014	1.0145957	0.76930565	0.71363193	7	7	0	0	0	0	0	0	0	0	67.720932	12.841904	15.392588	11.892279	-3.2059937	-38.271225	10.423069	-26.970699	0.004222634	0.16020091	0	0	2.59E+12	3.30E+09	-9.7782021	-1.8160406	2.59E+12	3.30E+09	-3.9392874	-11.093653	0	0	8.5961571	11.743747	13.212008	15.882102	33.304897	16.016376	13.629063	11.300524	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.80043483	-0.38651478	-0.44129482	-0.01928976	0.079760909	3.1303203	2.4710379	-0.89714968	-1.3705581	-0.31035468	-0.30042276	-0.002505066	0.18579361	3.1423492	2.6344945	-0.53425395	-0.42910278	-0.21040775	-0.20166165	0.10722204	0.21277213	3.3267074	2.8066838	0.21797732	0.17014733	6.1551886	2.6745439	6.7819748	7.5157447	6.7819748	2.7772198	0.72404015	3.00559	0.72404015	3.00559	-2.328289	-3.8209569	0	0	0.95388722	8.9176388	7.165029	7.1588149	0	0	14	14	14	14	1	1	0	0	13.648394	13.005	4.2631578	5.5510206	1.6952908	2.5246549	13.022482	8.2133408	4.0571489	3.4000528	1.6103241	1.5114913	2.6417074	1.551433	5	3	0	2	1	1	0	0	3.582	2.9679999	-3.4716799	-3.8538301	3.2725534	3.6411116	-88505.227	-65081.387	-655666.63	-417586.06	-124.02571	42.557941	-10.87649	-8.7637997	10.87649	8.7637997	0.70187002	-0.55374998	7.0486565	7.0657024	0	0	1	1	0.54197603	0.42218304	0.76507992	0.78278381	19	17	1	1	4	3	1	0	0	0	0	0	0	0	1.578668	1.3874395	-1.578668	-1.3874395	0.169572	0.23431435	0.19891214	0.25320071	98.274422	0	4.2653861	56.052963	0	0	0	17.238026	12.263453	0	14.708499	0	0	17.440542	44.851616	28.926888	37.495354	98.03923	0	0	7.2334704	0	7.2334704	13.566921	16.070677	0	2.503756	6.6511192	0.78448415	0.84171456	0.47116494	0.61864001	0.10538135	0.084979855	0.21551585	0.15828541	0.52883506	0.38136002	0.1101345	0.073305562	192.12025	200.25711	115.38834	147.18416	25.807903	20.21804	52.779854	37.658585	129.51176	90.731529	26.971952	17.440542	0.42857143	0.42857143	0.75	0.75	3.6450274	3.7156763	-82636.43	-59471.367	-653627.19	-407983.56	-158.23212	37.642639	-10.78035	-8.7239103	10.78035	8.7239103	-0.15042999	-0.56158	2210.6523	1889.2758	1038.6576	723.47589	1466.22	1341.421	1916.4272	1713.6545	1121.4878	1141.2633	776.37323	494.06476	312.79126	253.94768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	237.9157	0	0	0	0	0	0	244.9001	237.9157	0	0	4	4	1	0	2.7981894	2.8277416	4	3	0	0	0	0	0.1	0.11111111	2.3949001	3.3872001	0	36.0215	7.7454643	4.8299561	81.819725	0	0	0	17.643185	6.37115	0	0	0	0	0	141.14548	75.473625	35.286369	99.978043	29.375711	6.8046999	7.3534398	73.293228	23.862217	0	0	17.643185	3.1243138	8.5265026	6.37115	0	38.410683	75.473625	141.14548	7.7454643	40.116325	99.978043	0	2.4099162	2.5822725	1.8617485	1.7727836	1.1251426	1.0651596	53.990002	46.330002	0.51481563	0.53921634	5.523562	5.321928	2.5399911	2.6019619	8.4195395	8.0982037	244.9001	237.9157	367.00107	331.08664	263.25	232.875	281.14902	252.29761	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	175.90112	33.029301	17.440542	30.537619	31.30941	5.3953252	5.849525	0.23970899	0.33102742	2.6517773	2.7090204	1.7756623	1.9725392	0.80558389	0.8746174	0.39811906	0.33404166	0.18423676	0.16118184	0.050205711	0.070642032	0.004379716	0.032229763	0	0.008338152	578.125	719.75	340.375	414.875	271.25	316	245	279.25	218.5	251.75	157.125	209.25	79.625	115.875	31.75	55.375	7.228416	0.5	7.1763501	6.5954528	0.5	6.5383482	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.8179173	-2.2559736	-2.7322943	-2.2545061	-2.7063537	-5.4111814	-6.5693431	-5.3114209	-6.358521	-5.095974	-6.2274756	1.2020918	1.203371	230.75	158	274.625	150.875	173.75	94.625	66.125	34.375	24.25	15.625	5.75	8.25	0.5	3.625	0	1.125	0.089400925	0.070411392	0.023469388	0.032676812	1.1877036	0.82103795	1.0598711	0.827133	1.0759208	0.87881768	1.2929488	0.98898399	1.5141792	1.097579	1.8226515	1.2021351	1.5276124	0.90959895	1.2021793	0.57287675	0.81477576	0.5113402	2.2796693	1.7120566	3.7727251	3.3330162	4.1858115	4.5734715	4.3511286	4.9795012	4.5800614	5.4765005	5.3393946	5.6107955	0	5.538301	1.4401109	1.4103448	407.4339	392.01404	586.75	552.875	831.625	900.875	411	429.625	177.75	174.75	66.125	54.125	24.25	22.25	5.75	9.125	0.5	3.625	0	1.125	600.875	742.875	136.375	278.75	4	80.125	0	19.75	0	6.625	0	0.875	0	0	0	0	282.336	236.274	627	521	48	33	122	96
Artemisinin	1,4-benzenedicarbaldehyde	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=Cc1ccc(C=O)cc1	3.8050928	3.533762	-88182.25	-40281.918	-667016.75	-167442.64	-154.65057	-38.682041	-10.56012	-10.31561	10.56012	10.31561	0.87564999	-1.1225899	45.079445	19.684757	456.67719	312.078	0	0	0	0	456.67719	312.078	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	16	0	0	4	2	20	10	12	6	58.156837	22.490225	1.3846866	1.4056391	0	0	0	0	15	8	0	0	0	0	22	6	0	0	0	0	5	2	0	0	0	0	1.8182865	2.2231824	-2.8763011	-2.16871	-0.46847317	-0.64596766	0.48142555	0.70033097	2.9546874	2.17799	-2.9138391	-2.0948031	-0.40296918	-0.53807992	0.52481794	0.80591482	2.9398463	2.2736068	-2.6583734	-1.8475702	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.5023139	30.756554	8.4752417	0	2	0	0.2	0	6	45	16	1	2	23	10	3	1	0	2	0	0.2	44	8	0	0	0	0	0	0	14.120955	7.3973413	12.25642	5.2805982	10.215178	4.4641018	10.292529	5.3973413	9.4617796	4.8637033	7.713058	2.870122	6.0543661	2.3987174	6.0990243	3.4494898	7	0	7	0	0	0	0	0	1.0725014	1.0268631	0.76930565	0.74483323	7	7	0	0	0	0	0	0	0	0	67.720932	28.348551	15.392588	1.9139485	-3.2059937	16.990047	10.423069	21.432398	0.004222634	-7.20E-15	0	0	2.59E+12	3.88E+10	-9.7782021	-2.5783787	2.59E+12	3.88E+10	-3.9392874	-14.674345	0	0	8.5961571	4.0324459	13.212008	3.3883617	33.304897	0.96975738	13.629063	4.4423504	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.72935349	-0.38651478	-0.38560137	-0.01928976	0.080937393	3.1303203	1.994832	-0.89714968	-0.77697551	-0.31035468	-0.26386139	-0.002505066	0.16445385	3.1423492	2.0891037	-0.53425395	-0.39215502	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.2990174	0.21797732	0	6.1551886	3.2466474	6.7819748	3.9771218	6.7819748	3.9771218	0.72404015	1.7887726	0.72404015	1.7887726	-2.328289	-1.9720407	0	0	0.95388722	4.8741617	7.165029	3.8005829	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	4	1.6952908	2.2857144	13.022482	5.0051513	4.0571489	2.3190413	1.6103241	1.2565976	2.6417074	1.1607152	5	2	0	0	1	1	0	0	3.582	1.76	-3.4716799	-1.3971	3.2725534	2.833204	-88505.227	-40377.371	-655666.63	-166553.08	-124.02571	-40.149849	-10.87649	-10.00651	10.87649	10.00651	0.70187002	-0.84457999	7.0486565	3.8883467	0	0	1	1	0.54197603	0.14505775	0.76507992	0.85494226	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	0.79494727	-1.578668	-0.79494727	0.169572	0.18894202	0.19891214	0.37197432	98.274422	4.4170794	4.2653861	17.061544	0	8.5307722	0	37.009766	12.263453	0	14.708499	0	0	0	44.851616	0	37.495354	49.019615	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	0	0.78448415	0.81048161	0.47116494	0.53189957	0.10538135	0.18951838	0.21551585	0.18951838	0.52883506	0.46810043	0.1101345	0	192.12025	116.03878	115.38834	76.153458	25.807903	27.133842	52.779854	27.133842	129.51176	67.019165	26.971952	0	0.42857143	0.42857143	0.75	0.75	3.6450274	3.3655007	-82636.43	-37516.617	-653627.19	-163310.95	-158.23212	-43.888241	-10.78035	-10.3217	10.78035	10.3217	-0.15042999	-1.10039	2210.6523	819.01306	1038.6576	118.8042	1466.22	700.20892	1916.4272	819.01306	1121.4878	316.67197	776.37323	502.34113	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	143.17262	0	0	0	0	0	0	244.9001	143.17262	0	0	4	4	1	1	2.7981894	2.4710186	4	1	0	0	0	0	0.1	0	2.3949001	1.3116	0	0	7.7454643	0	81.819725	40.29044	0	0	17.643185	54.095581	0	0	0	0	0	70.572739	75.473625	0	99.978043	0	6.8046999	3.7217	73.293228	47.724434	0	0	17.643185	0	8.5265026	6.37115	0	0	75.473625	70.572739	7.7454643	0	99.978043	40.29044	2.4099162	2.1923392	1.8617485	1.3345941	1.1251426	0	53.990002	34.139999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.4572477	8.4195395	6.2873545	244.9001	143.17262	367.00107	180.08595	263.25	130.625	281.14902	156.01314	30.537619	27.133842	0	0	0	0	0	0	160.29349	67.651054	33.029301	44.116947	30.537619	27.133842	5.3953252	2.7122443	0.23970899	0.1944993	2.6517773	3.0986266	1.7756623	2.6313956	0.80558389	1.3835344	0.39811906	0.62283057	0.18423676	0.25120291	0.050205711	0.027764283	0.004379716	0	0	0	578.125	408.375	340.375	231.875	271.25	164.75	245	136.5	218.5	118.75	157.125	104	79.625	68.125	31.75	33.125	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.0611031	-2.2559736	-2.0351572	-2.2545061	-2.0261385	-5.4111814	-4.5428815	-5.3114209	-4.5035915	-5.095974	-4.4592929	1.2020918	1.1586503	230.75	283.5	274.625	348.75	173.75	195	66.125	65.375	24.25	20.375	5.75	2.375	0.5	0	0	0	0.089400925	0.12367223	0.023469388	0.017399268	1.1877036	1.0707383	1.0598711	0.97801799	1.0759208	1.0384026	1.2929488	1.3649005	1.5141792	1.617811	1.8226515	1.7674118	1.5276124	1.2660742	1.2021793	0.66860586	0.81477576	0.43618608	2.2796693	1.1621354	3.7727251	1.9937401	4.1858115	1.9357623	4.3511286	1.6745712	4.5800614	2.5704939	5.3393946	0	0	0	1.4401109	1.2504979	407.4339	275.09042	586.75	344	831.625	754.125	411	446.75	177.75	195.25	66.125	65.375	24.25	20.375	5.75	2.375	0.5	0	0	0	600.875	470.625	136.375	98	4	0.25	0	0	0	0	0	0	0	0	0	0	282.336	134.134	627	125	48	11	122	44
Artemisinin	1,2,4,5-tetracyanobenzene	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	N#Cc1c(C#N)cc(C#N)c(C#N)c1	3.8050928	0.00509902	-88182.25	-49164.059	-667016.75	-228502.66	-154.65057	158.04962	-10.56012	-10.93788	10.56012	10.93788	0.87564999	-2.1608	45.079445	23.333586	456.67719	379.0137	0	0	0	0	456.67719	379.0137	0	0	0	0	0	0	1	1	1	3	4	4	0	0	0	6	0	0	42	16	0	0	4	4	20	14	12	6	58.156837	20.78072	1.3846866	1.298795	0	0	0	0	15	10	0	0	0	0	22	2	0	0	0	4	5	0	0	0	0	0	1.8182865	2.6310091	-2.8763011	-2.0821424	-0.46847317	-0.74252331	0.48142555	0.74775904	2.9546874	2.1759241	-2.9138391	-2.0081573	-0.40296918	-0.68064344	0.52481794	0.77888596	2.9398463	2.2505565	-2.6583734	-1.7941428	-0.33618459	-0.46454442	0.60764611	1.0080804	3.1623287	2.4659894	30.756554	4.8264141	0	0	0	0	0	6	45	16	1	0	23	14	3	1	0	4	0	0.2857143	44	6	0	4	0	0	0	0	14.120955	10.552042	12.25642	6.9435549	10.215178	5.1547008	10.292529	6.5520415	9.4617796	6.7610803	7.713058	3.5491278	6.0543661	2.6547005	6.0990243	3.932653	7	0	7	0	0	0	0	0	1.0725014	1.0691913	0.76930565	0.77259958	7	7	0	0	0	0	0	0	0	0	67.720932	26.871737	15.392588	1.4978369	-3.2059937	16.872526	10.423069	20.765669	0.004222634	0.000831552	0	0	2.59E+12	5.10E+11	-9.7782021	-2.1865375	2.59E+12	5.10E+11	-3.9392874	-33.541103	0	0	8.5961571	3.3300879	13.212008	2.5460737	33.304897	1.2773124	13.629063	3.893141	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.671197	-0.38651478	-0.52704108	-0.01928976	0.22837125	3.1303203	2.0114162	-0.89714968	-0.59537596	-0.31035468	-0.43580806	-0.002505066	0.30415604	3.1423492	2.0799284	-0.53425395	-0.37879828	-0.21040775	-0.21859838	0.10722204	0.50032318	3.3267074	2.2991884	0.21797732	5.88E-07	6.1551886	6.8587499	6.7819748	2.1294961	6.7819748	2.1294961	0.72404015	2.8732231	0.72404015	2.8732231	-2.328289	-3.8823061	0	0	0.95388722	8.1494026	7.165029	5.0976706	0	0	14	14	14	14	1	1	0	0	13.648394	12.071428	4.2631578	5.7777777	1.6952908	2.75	13.022482	6.1164131	4.0571489	2.7495277	1.6103241	1.2462969	2.6417074	1.201232	5	4	0	0	1	1	0	0	3.582	0.616	-3.4716799	-2.7886	3.2725534	0.014491376	-88505.227	-49133.785	-655666.63	-227625.88	-124.02571	153.76994	-10.87649	-10.80275	10.87649	10.80275	0.70187002	-2.22648	7.0486565	5.0219121	0	0	1	1	0.54197603	0.29315546	0.76507992	0.70684516	19	6	1	1	4	1	1	4	0	0	0	0	0	0	1.578668	0.81222069	-1.578668	-0.81222069	0.169572	0.12371282	0.19891214	0.23494793	98.274422	0	4.2653861	17.364931	0	81.198021	0	0	12.263453	0	14.708499	0	0	0	44.851616	24.509808	37.495354	0	0	0	7.2334704	70.969955	7.2334704	0	16.070677	0	2.503756	0	0.78448415	1	0.47116494	0.49205539	0.10538135	0	0.21551585	0	0.52883506	0.50794464	0.1101345	0	192.12025	194.04272	115.38834	95.479767	25.807903	0	52.779854	0	129.51176	98.562958	26.971952	0	0.42857143	0.42857143	0.75	0.75	3.6450274	0.008306623	-82636.43	-42882.563	-653627.19	-219066.22	-158.23212	174.44823	-10.78035	-10.94501	10.78035	10.94501	-0.15042999	-2.3295901	2210.6523	1448.9419	1038.6576	424.76508	1466.22	1024.1772	1916.4272	1448.9414	1121.4878	764.67126	776.37323	657.82397	312.79126	26.446545	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	194.04272	0	0	0	0	0	0	244.9001	194.04272	0	0	4	4	1	0	2.7981894	2.8518567	4	1	0	0	0	0	0.1	0.5714286	2.3949001	1.173336	0	0	7.7454643	0	81.819725	0	0	190.64441	17.643185	12.7423	0	0	0	0	0	35.286369	75.473625	0	99.978043	0	6.8046999	4.5302	73.293228	0	0	124.23743	17.643185	0	8.5265026	79.149284	0	0	75.473625	35.286369	7.7454643	0	99.978043	0	2.4099162	2.1993461	1.8617485	1.6572895	1.1251426	0.001686108	53.990002	95.160004	0.51481563	0.59167278	5.523562	4.8073549	2.5399911	2.5936379	8.4195395	7.3349781	244.9001	194.04272	367.00107	230.59033	263.25	166.625	281.14902	195.19624	30.537619	70.969955	0	0	0	0	0	0	160.29349	40.451149	33.029301	81.198021	30.537619	70.969955	5.3953252	0.2175325	0.23970899	0.20944817	2.6517773	3.2086256	1.7756623	2.8893149	0.80558389	2.350771	0.39811906	0.71865314	0.18423676	0.33769551	0.050205711	0.092686057	0.004379716	0	0	0	578.125	678.25	340.375	443.375	271.25	324.375	245	250.75	218.5	203.5	157.125	169.125	79.625	145.125	31.75	127.875	7.228416	6.5	7.1763501	8.9022465	0.5	5.5226803	0.70710677	0.5	0.70710677	12.5	0.70710677	12.509996	-2.2570698	-2.694324	-2.2559736	-2.6927569	-2.2545061	-2.654356	-5.4111814	-4.7100897	-5.3114209	-4.6542802	-5.095974	-4.6243377	1.2020918	1.2157022	230.75	397.375	274.625	444.25	173.75	332.375	66.125	104.625	24.25	37.875	5.75	8.125	0.5	0	0	0	0.089400925	0.116763	0.023469388	0.032402791	1.1877036	0.031923611	1.0598711	0.041711494	1.0759208	0.085109182	1.2929488	0.16350387	1.5141792	0.058087338	1.8226515	0.089551896	1.5276124	0.16076967	1.2021793	0.057671171	0.81477576	0.013947424	2.2796693	0.024588868	3.7727251	0.054116234	4.1858115	0.14980718	4.3511286	0.20077631	4.5800614	0.40188095	5.3393946	0	0	0	1.4401109	1.3089737	407.4339	348.17355	586.75	455.75	831.625	1200.25	411	786.625	177.75	395.875	66.125	104.625	24.25	37.875	5.75	8.125	0.5	0	0	0	600.875	802.875	136.375	342.375	4	63.5	0	0	0	0	0	0	0	0	0	0	282.336	178.15399	627	295	48	21	122	64
Artemisinin	1,2-bis-4-pyridyl-ethane	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	C(Cc1ccncc1)c1ccncc1	3.8050928	0.006082763	-88182.25	-48769.27	-667016.75	-269244.69	-154.65057	54.85321	-10.56012	-10.02016	10.56012	10.02016	0.87564999	-0.01902	45.079445	31.321516	456.67719	408.23474	0	0	0	0	456.67719	408.23474	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	12	0	0	42	26	0	0	4	2	20	14	12	12	58.156837	34.172333	1.3846866	1.3143204	0	0	0	0	15	12	0	0	0	0	22	12	0	0	0	2	5	0	0	0	0	0	1.8182865	1.6127447	-2.8763011	-2.4616861	-0.46847317	-0.62351507	0.48142555	0.72050589	2.9546874	2.4251778	-2.9138391	-2.4063599	-0.40296918	-0.53807992	0.52481794	0.80591482	2.9398463	2.4908464	-2.6583734	-2.1943829	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.699939	30.756554	15.758484	0	3	0	0.2	0	12	45	27	1	0	23	15	3	3	0	3	0	0.2	44	15	0	0	0	0	0	0	14.120955	9.6399822	12.25642	7.927443	10.215178	7.0330157	10.292529	8.2257681	9.4617796	6.9494896	7.713058	4.7279363	6.0543661	3.6951406	6.0990243	4.9494896	7	0	7	0	0	0	0	0	1.0725014	0.93051511	0.76930565	0.67106646	7	9	0	0	0	0	0	0	0	0	67.720932	20.351707	15.392588	5.7641325	-3.2059937	-2.3407717	10.423069	4.7765789	0.004222634	0.00019698	0	0	2.59E+12	3.47E+11	-9.7782021	-1.6754962	2.59E+12	3.47E+11	-3.9392874	-13.955813	0	0	8.5961571	8.0799065	13.212008	7.4417591	33.304897	1.7308931	13.629063	7.1173506	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76855087	-0.38651478	-0.35806134	-0.01928976	0.095838927	3.1303203	2.2872593	-0.89714968	-0.74905616	-0.31035468	-0.26386139	-0.002505066	0.16445385	3.1423492	2.3880432	-0.53425395	-0.50632656	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.5641932	0.21797732	0.034576222	6.1551886	4.1832666	6.7819748	3.9053054	6.7819748	3.9053054	0.72404015	2.8123059	0.72404015	2.8342218	-2.328289	-3.0860138	0	0	0.95388722	6.1260319	7.165029	5.7502217	0	0.050434195	14	14	14	8.2857456	1	1.2229816	0	0.030467819	13.648394	10.515555	4.2631578	5.7777777	1.6952908	3.5918367	13.022482	7.0891247	4.0571489	3.7631612	1.6103241	2.2780161	2.6417074	1.9055371	5	2	0	0	1	1	0	0	3.582	1.9198	-3.4716799	-1.3599	3.2725534	0.003741657	-88505.227	-48832.629	-655666.63	-267225.09	-124.02571	52.4095	-10.87649	-9.7821798	10.87649	9.7821798	0.70187002	-0.21087	7.0486565	5.8516583	0	0	1	1	0.54197603	0.09848357	0.76507992	0.92429763	19	12	1	1	4	2	1	3	0	0	0	0	0	0	1.578668	0.82367849	-1.578668	-0.82367849	0.169572	0.10069679	0.19891214	0.31959236	98.274422	84.045204	4.2653861	34.123089	0	0	0	0	12.263453	0	14.708499	0	0	0	44.851616	70.839325	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	11.365152	2.503756	0	0.78448415	0.94327998	0.47116494	0.41025773	0.10538135	0.056720044	0.21551585	0.056720044	0.52883506	0.5897423	0.1101345	0	192.12025	189.00761	115.38834	82.204475	25.807903	11.365152	52.779854	11.365152	129.51176	118.1683	26.971952	0	0.42857143	0.44444445	0.75	0.80000001	3.6450274	0.003	-82636.43	-44518.523	-653627.19	-262625.63	-158.23212	50.756199	-10.78035	-10.19049	10.78035	10.19049	-0.15042999	-0.25465	2210.6523	2056.7539	1038.6576	200.27521	1466.22	1879.6426	1916.4272	2033.5901	1121.4878	749.84155	776.37323	280.13718	312.79126	1026.7753	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	200.37277	0	0	0	0	0	0	244.9001	200.37277	0	0	4	5	1	0	2.7981894	3.3411567	4	2	0	0	0	0	0.1	0.71428573	2.3949001	2.26174	0	0	7.7454643	33.57106	81.819725	0	0	0	17.643185	6.37115	0	37.736813	0	0	0	139.43016	75.473625	0	99.978043	0	6.8046999	5.5882001	73.293228	0	0	33.57106	17.643185	0	8.5265026	6.37115	0	0	75.473625	177.16698	7.7454643	0	99.978043	0	2.4099162	3.0198841	1.8617485	1.3983306	1.1251426	0.56153786	53.990002	25.780001	0.51481563	0.61744827	5.523562	4.9068904	2.5399911	2.948199	8.4195395	7.2638764	244.9001	200.37277	367.00107	274.55106	263.25	198	281.14902	224.36105	30.537619	11.365152	0	0	0	0	0	0	160.29349	180.46606	33.029301	0	30.537619	11.365152	5.3953252	0.059657261	0.23970899	0.2839179	2.6517773	2.8590102	1.7756623	2.2821503	0.80558389	0.71644348	0.39811906	0.32438365	0.18423676	0.17019954	0.050205711	0.070309483	0.004379716	7.51E-05	0	0	578.125	661.875	340.375	386	271.25	278.75	245	246.625	218.5	228.5	157.125	203.75	79.625	135	31.75	60.875	7.228416	0.5	7.1763501	7.2111025	0.5	7.5	0.70710677	15.132746	0.70710677	15.141004	0.70710677	0.5	-2.2570698	-2.2453773	-2.2559736	-2.2265613	-2.2545061	-2.205745	-5.4111814	-5.0300102	-5.3114209	-4.907742	-5.095974	-4.8975406	1.2020918	1.2123108	230.75	266.375	274.625	283.125	173.75	141.75	66.125	52.375	24.25	21.125	5.75	6.375	0.5	0.125	0	0	0.089400925	0.07578475	0.023469388	0.025848961	1.1877036	0.021988478	1.0598711	0.016796164	1.0759208	0.032373689	1.2929488	0.084240481	1.5141792	0.068884879	1.8226515	0.057665076	1.5276124	0.044184089	1.2021793	0.21423055	0.81477576	0.008546283	2.2796693	0.012913525	3.7727251	0.006370555	4.1858115	0.18236168	4.3511286	0.035417702	4.5800614	0.15571167	5.3393946	7.6066484	0	0	1.4401109	1.3509864	407.4339	367.78683	586.75	496.875	831.625	915.375	411	455.375	177.75	144.75	66.125	52.375	24.25	21.125	5.75	6.375	0.5	0.125	0	0	600.875	649	136.375	172.25	4	3	0	0	0	0	0	0	0	0	0	0	282.336	184.24199	627	343	48	15	122	66
Artemisinin	2,3-dichloro-1,4-naphthoquinone	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	ClC1=C(Cl)C(=O)c2c(C1=O)cccc2	3.8050928	2.8921733	-88182.25	-62774.668	-667016.75	-293676.5	-154.65057	-23.09153	-10.56012	-10.35434	10.56012	10.35434	0.87564999	-1.89048	45.079445	26.231173	456.67719	373.81885	0	0	0	0	456.67719	373.81885	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	18	0	0	4	2	20	14	12	10	58.156837	29.839369	1.3846866	1.6577427	0	0	0	0	15	10	0	2	0	0	22	4	0	0	0	0	5	2	0	0	0	0	1.8182865	2.1958582	-2.8763011	-2.220098	-0.46847317	-0.6224103	0.48142555	0.63420272	2.9546874	2.3281124	-2.9138391	-2.2136819	-0.40296918	-0.46419379	0.52481794	0.82986182	2.9398463	2.3594604	-2.6583734	-1.9041125	-0.33618459	-0.41606301	0.60764611	0.9400484	3.1623287	2.6416464	30.756554	7.128828	0	0	0	0	0	6	45	19	1	3	23	15	3	1	0	0	0	0	44	10	0	0	0	0	0	0	14.120955	10.292529	12.25642	8.3936844	10.215178	5.309401	10.292529	6.2925286	9.4617796	6.6258979	7.713058	4.6194921	6.0543661	3.0773504	6.0990243	4.3164964	7	0	7	0	0	0	0	0	1.0725014	1.2613666	0.76930565	0.94187135	7	6	0	0	0	0	0	0	0	0	67.720932	27.402718	15.392588	3.656322	-3.2059937	7.6686797	10.423069	13.7737	0.004222634	0.000464047	0	0	2.59E+12	5.61E+11	-9.7782021	-3.1780725	2.59E+12	5.61E+11	-3.9392874	-13.265644	0	0	8.5961571	7.6401811	13.212008	7.5068107	33.304897	2.332051	13.629063	6.10502	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.74063367	-0.38651478	-0.44473815	-0.01928976	0.068676718	3.1303203	2.1769319	-0.89714968	-0.78763705	-0.31035468	-0.25545737	-0.002505066	0.28864998	3.1423492	2.2644584	-0.53425395	-0.39935684	-0.21040775	-0.19404459	0.10722204	0.39217466	3.3267074	2.4918265	0.21797732	1.79E-05	6.1551886	3.6489775	6.7819748	1.8708584	6.7819748	1.8708584	0.72404015	4.1325054	0.72404015	4.1325054	-2.328289	-4.4041533	0	0	0.95388722	6.5131931	7.165029	5.3990183	0	0	14	14	14	14	1	1	0	0	13.648394	10.515555	4.2631578	3.8677685	1.6952908	1.648283	13.022482	8.8830109	4.0571489	3.2214062	1.6103241	1.3580179	2.6417074	2.0439847	5	2	0	0	1	1	0	0	3.582	2.9920001	-3.4716799	-4.3110199	3.2725534	3.8516078	-88505.227	-61956.551	-655666.63	-290577.72	-124.02571	-29.06773	-10.87649	-10.27776	10.87649	10.27776	0.70187002	-1.8507	7.0486565	5.4484997	0	0	1	1	0.54197603	0.32444063	0.76507992	0.6755901	19	11	1	1	4	2	1	0	0	0	0	0	0	0	1.578668	0.94964397	-1.578668	-0.94964397	0.169572	0.21739902	0.19891214	0.30080426	98.274422	4.4170794	4.2653861	17.061544	0	9.0394926	0	0	12.263453	16.917038	14.708499	0	0	0	44.851616	0	37.495354	108.18351	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	0	0.78448415	0.75895882	0.47116494	0.74044049	0.10538135	0.14847316	0.21551585	0.24104118	0.52883506	0.25955954	0.1101345	0.092568025	192.12025	138.70163	115.38834	135.31735	25.807903	27.133842	52.779854	44.05088	129.51176	47.435154	26.971952	16.917038	0.42857143	0.33333334	0.75	0.5	3.6450274	1.8871688	-82636.43	-56865.332	-653627.19	-286072.09	-158.23212	-32.785179	-10.78035	-9.6920404	10.78035	9.6920404	-0.15042999	-1.7740999	2210.6523	1718.547	1038.6576	557.55792	1466.22	1161.0155	1916.4272	1718.5206	1121.4878	1159.0123	776.37323	534.6756	312.79126	24.859049	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	182.7525	0	0	0	0	0	0	244.9001	182.7525	0	0	4	4	1	0	2.7981894	2.7512102	4	2	0	0	0	0	0.1	0	2.3949001	2.7548001	0	0	7.7454643	11.375222	81.819725	0	0	0	17.643185	54.095581	0	7.0012131	0	0	0	70.572739	75.473625	0	99.978043	78.297287	6.8046999	5.3835001	73.293228	47.724434	0	0	17.643185	0	8.5265026	13.372363	0	0	75.473625	70.572739	7.7454643	11.375222	99.978043	78.297287	2.4099162	2.2846739	1.8617485	1.5993034	1.1251426	0.009671255	53.990002	34.139999	0.51481563	0.61744827	5.523562	4.9068904	2.5399911	2.3496053	8.4195395	7.3568716	244.9001	182.7525	367.00107	241.0584	263.25	180	281.14902	201.49763	30.537619	27.133842	0	0	0	0	0	0	160.29349	135.85445	33.029301	16.917038	30.537619	27.133842	5.3953252	0.31930393	0.23970899	0.31862634	2.6517773	2.8536823	1.7756623	2.2327995	0.80558389	1.3356698	0.39811906	0.44285771	0.18423676	0.16186917	0.050205711	0.018880501	0.004379716	0	0	0	578.125	595.875	340.375	345.625	271.25	256	245	216.625	218.5	181.125	157.125	154.875	79.625	94.625	31.75	58.75	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	9	0.70710677	0.5	0.70710677	9.0138779	-2.2570698	-2.5471029	-2.2559736	-2.4946833	-2.2545061	-2.4830308	-5.4111814	-4.4070692	-5.3114209	-4.3925991	-5.095974	-4.3573446	1.2020918	1.1816741	230.75	212.25	274.625	289.5	173.75	187.125	66.125	52.375	24.25	16.125	5.75	2.5	0.5	0	0	0	0.089400925	0.062988281	0.023469388	0.011540681	1.1877036	0.31902504	1.0598711	0.32908216	1.0759208	0.43718508	1.2929488	0.59332532	1.5141792	0.6971041	1.8226515	0.4341985	1.5276124	0.11541062	1.2021793	0.23654434	0.81477576	0.25975657	2.2796693	0.065322861	3.7727251	0.14601906	4.1858115	0.108808	4.3511286	0.3441481	4.5800614	1.4893621	5.3393946	0	0	0	1.4401109	1.343335	407.4339	336.75516	586.75	452.375	831.625	848.875	411	468.75	177.75	205.625	66.125	52.375	24.25	16.125	5.75	2.5	0.5	0	0	0	600.875	636.625	136.375	179.25	4	18.5	0	0	0	0	0	0	0	0	0	0	282.336	227.04599	627	263	48	25	122	74
Artemisinin	Androsta-1,4-diene-3,17-dione	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1C=C2C(C)(C=C1)C1C(C3C(C)(C(=O)CC3)CC1)CC2	3.8050928	3.1919332	-88182.25	-78511.781	-667016.75	-612741.44	-154.65057	-73.484947	-10.56012	-10.10881	10.56012	10.10881	0.87564999	-0.44273999	45.079445	51.047031	456.67719	485.11914	0	0	0	0	456.67719	485.11914	0	0	0	0	0	0	1	1	1	1	4	2	0	0	0	0	0	0	42	45	0	0	4	2	20	21	12	17	58.156837	54.383667	1.3846866	1.2085259	0	0	0	0	15	19	0	0	0	0	22	24	0	0	0	0	5	2	0	0	0	0	1.8182865	1.6262485	-2.8763011	-2.9170282	-0.46847317	-0.50178558	0.48142555	0.42547914	2.9546874	2.9305866	-2.9138391	-2.8370478	-0.40296918	-0.41887712	0.52481794	0.49546823	2.9398463	3.0044143	-2.6583734	-2.6628633	-0.33618459	-0.31239513	0.60764611	0.59026545	3.1623287	3.1855919	30.756554	28.152967	0	0	0	0	0	0	45	48	1	4	23	24	3	2	0	0	0	0	44	44	0	0	0	0	0	0	14.120955	14.828063	12.25642	13.023239	10.215178	12.206742	10.292529	12.828063	9.4617796	9.9491606	7.713058	8.425704	6.0543661	8.0174561	6.0990243	8.7944603	7	5	7	5	0	0	0	0	1.0725014	0.97438627	0.76930565	0.68858343	7	10	0	0	0	0	0	0	0	0	67.720932	53.788456	15.392588	15.243717	-3.2059937	10.896874	10.423069	21.694653	0.004222634	0.009744693	0	0	2.59E+12	1.44E+12	-9.7782021	-2.1283362	2.59E+12	1.44E+12	-3.9392874	-15.490518	0	0	8.5961571	2.2886946	13.212008	8.0734205	33.304897	14.551649	13.629063	10.797777	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.78906435	-0.38651478	-0.39238006	-0.01928976	0.008902565	3.1303203	3.1662917	-0.89714968	-0.83789784	-0.31035468	-0.29625261	-0.002505066	0.034999654	3.1423492	3.2507765	-0.53425395	-0.53639644	-0.21040775	-0.21228777	0.10722204	0.13875079	3.3267074	3.4015443	0.21797732	0.25896764	6.1551886	3.3714838	6.7819748	5.4477711	6.7819748	5.4477711	0.72404015	4.1052427	0.72404015	4.1052427	-2.328289	-4.313798	0	0	0.95388722	3.205883	7.165029	8.2351656	0	0	14	14	14	14	1	1	0	0	13.648394	14.583333	4.2631578	4.7468772	1.6952908	1.9262782	13.022482	12.302628	4.0571489	3.9683301	1.6103241	1.5991563	2.6417074	2.3248043	5	2	0	0	1	1	0	0	3.582	3.2550001	-3.4716799	-4.7803898	3.2725534	2.6006267	-88505.227	-78710.852	-655666.63	-602917.88	-124.02571	-46.886169	-10.87649	-10.21109	10.87649	10.21109	0.70187002	-0.54277998	7.0486565	8.2325001	0	0	1	1	0.54197603	0.26584777	0.76507992	0.96937388	19	20	1	1	4	4	1	0	0	0	0	0	0	0	1.578668	1.1392725	-1.578668	-1.1392725	0.169572	0.15685263	0.19891214	0.26053482	98.274422	98.274422	4.2653861	12.796158	0	8.458519	0	8.458519	12.263453	0	14.708499	0	0	0	44.851616	68.016373	37.495354	51.958797	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	0	0.78448415	0.90136611	0.47116494	0.53475398	0.10538135	0.098633856	0.21551585	0.098633856	0.52883506	0.46524602	0.1101345	0	192.12025	247.96278	115.38834	147.10901	25.807903	27.133842	52.779854	27.133842	129.51176	127.98762	26.971952	0	0.42857143	0.5	0.75	1	3.6450274	2.8319402	-82636.43	-74010.898	-653627.19	-604585.19	-158.23212	-77.432472	-10.78035	-10.24147	10.78035	10.24147	-0.15042999	-0.53145999	2210.6523	3121.9536	1038.6576	742.62378	1466.22	2707.866	1916.4272	2793.4175	1121.4878	2342.2415	776.37323	434.26172	312.79126	345.45035	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	275.09662	0	0	0	0	0	0	244.9001	275.09662	0	0	4	5	1	1	2.7981894	3.3132117	4	4	0	0	0	0	0.1	0.33333334	2.3949001	3.8634	0	0	7.7454643	11.375222	81.819725	47.724434	0	0	17.643185	13.232388	0	3.185575	0	0	0	52.929554	75.473625	113.21043	99.978043	66.652031	6.8046999	8.1623001	73.293228	47.724434	0	0	17.643185	13.232388	8.5265026	3.185575	0	0	75.473625	166.13998	7.7454643	11.375222	99.978043	66.652031	2.4099162	2.6306453	1.8617485	1.5745373	1.1251426	1.3387054	53.990002	34.139999	0.51481563	0.49641782	5.523562	5.5849624	2.5399911	2.9431849	8.4195395	8.50912	244.9001	275.09662	367.00107	413.02036	263.25	291.875	281.14902	298.73837	30.537619	27.133842	0	0	0	0	0	0	160.29349	209.92751	33.029301	16.917038	30.537619	27.133842	5.3953252	2.3386514	0.23970899	0.22531556	2.6517773	2.7499545	1.7756623	2.2757788	0.80558389	0.95993525	0.39811906	0.41234609	0.18423676	0.19136433	0.050205711	0.054827761	0.004379716	0	0	0	578.125	686.25	340.375	409	271.25	305.5	245	263.375	218.5	232.25	157.125	204.875	79.625	129.75	31.75	62.625	7.228416	0.5	7.1763501	1.2247449	0.5	1.118034	0.70710677	4.8989797	0.70710677	4.9497476	0.70710677	0.70710677	-2.2570698	-2.6334515	-2.2559736	-2.5990782	-2.2545061	-2.5824709	-5.4111814	-4.8097453	-5.3114209	-4.6876488	-5.095974	-4.6866937	1.2020918	1.1973459	230.75	314.25	274.625	373.875	173.75	202.125	66.125	71	24.25	26	5.75	6	0.5	0	0	0	0.089400925	0.08510638	0.023469388	0.022781206	1.1877036	0.43183237	1.0598711	0.3609834	1.0759208	0.38380596	1.2929488	0.47394881	1.5141792	0.6160683	1.8226515	0.70229983	1.5276124	0.39340147	1.2021793	0.31075186	0.81477576	0.55610371	2.2796693	1.1227655	3.7727251	1.8641855	4.1858115	2.025687	4.3511286	1.9691664	4.5800614	1.9444865	5.3393946	0	0	0	1.4401109	1.4980196	407.4339	435.65851	586.75	652.625	831.625	1026.375	411	559	177.75	210.75	66.125	71	24.25	26	5.75	6	0.5	0	0	0	600.875	712.125	136.375	185.125	4	8.625	0	0	0	0	0	0	0	0	0	0	282.336	284.39899	627	802	48	44	122	126
Artemisinin	Benzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1ccccc1	3.8050928	2.4179432	-88182.25	-37354.219	-667016.75	-151621.02	-154.65057	-67.955673	-10.56012	-10.08378	10.56012	10.08378	0.87564999	-0.46843001	45.079445	17.924759	456.67719	289.05814	0	0	0	0	456.67719	289.05814	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	15	0	2	4	4	20	9	12	6	58.156837	21.442099	1.3846866	1.4294733	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	0	5	2	0	0	0	0	1.8182865	2.2906082	-2.8763011	-2.1609256	-0.46847317	-0.63632387	0.48142555	0.6890161	2.9546874	2.1639042	-2.9138391	-2.1051879	-0.40296918	-0.54315341	0.52481794	0.76243216	2.9398463	2.2676179	-2.6583734	-1.8467311	-0.33618459	-0.46584502	0.60764611	0.83215487	3.1623287	2.4730387	30.756554	7.517242	0	1	0	0.11111111	0	6	45	15	1	1	23	9	3	1	0	1	0	0.11111111	44	8	0	0	0	0	0	0	14.120955	6.6902347	12.25642	4.7422132	10.215178	3.8867514	10.292529	4.6902347	9.4617796	4.3045306	7.713058	2.5884144	6.0543661	2.1606836	6.0990243	3.1498299	7	0	7	0	0	0	0	0	1.0725014	1.0251669	0.76930565	0.74922007	7	5	0	0	0	0	0	0	0	0	67.720932	10.974861	15.392588	3.7383287	-3.2059937	-7.2143283	10.423069	-1.7968237	0.004222634	2.81E-14	0	0	2.59E+12	4.41E+10	-9.7782021	-2.1266143	2.59E+12	4.41E+10	-3.9392874	-9.3024273	0	0	8.5961571	3.0067604	13.212008	10.603499	33.304897	6.0265961	13.629063	5.4175043	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.74657285	-0.38651478	-0.42395213	-0.01928976	0.1107562	3.1303203	1.9421742	-0.89714968	-0.85410458	-0.31035468	-0.3109673	-0.002505066	0.18222699	3.1423492	2.0490565	-0.53425395	-0.40451828	-0.21040775	-0.22441636	0.10722204	0.21903294	3.3267074	2.2351949	0.21797732	0	6.1551886	2.2947249	6.7819748	4.812336	6.7819748	1.98517	0.72404015	1.0787467	0.72404015	1.3375965	-2.328289	-1.5128956	0	0	0.95388722	4.2130013	7.165029	3.4272532	0	-0.99534768	14	4.669693	14	14	1	1.0300694	0	3.2016389	13.648394	7.1111112	4.2631578	3.2396693	1.6952908	2	13.022482	4.6822257	4.0571489	2.0043066	1.6103241	1.163252	2.6417074	1.0427351	5	2	0	1	1	1	0	0	3.582	1.5829999	-3.4716799	-1.35428	3.2725534	2.2786722	-88505.227	-37453.254	-655666.63	-151074.63	-124.02571	-65.738998	-10.87649	-9.7634802	10.87649	9.7634802	0.70187002	-0.52048999	7.0486565	3.4539573	0	0	1	1	0.54197603	0.24081214	0.76507992	0.75918788	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.86843967	-1.578668	-0.86843967	0.169572	0.33535516	0.19891214	0.37710103	98.274422	2.2085397	4.2653861	21.326929	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	24.509808	37.495354	36.764713	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.64653033	0.47116494	0.62975144	0.10538135	0.16263857	0.21551585	0.35346967	0.52883506	0.37024856	0.1101345	0.19083108	192.12025	84.80999	115.38834	82.608978	25.807903	21.334461	52.779854	46.367134	129.51176	48.568142	26.971952	25.032671	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.2523966	-82636.43	-34802.977	-653627.19	-147909.92	-158.23212	-66.16375	-10.78035	-10.13341	10.78035	10.13341	-0.15042999	-0.53333998	2210.6523	546.25262	1038.6576	131.54427	1466.22	414.70837	1916.4272	546.25262	1121.4878	186.17635	776.37323	360.07629	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	131.17712	0	0	0	0	0	0	244.9001	131.17712	0	0	4	3	1	0	2.7981894	2.1149399	4	1	0	0	0	0	0.1	0.66666669	2.3949001	1.3848	0	0	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	88.215919	75.473625	0	99.978043	0	6.8046999	3.3401301	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	3.185575	0	0	75.473625	88.215919	7.7454643	7.7454643	99.978043	0	2.4099162	2.0357063	1.8617485	1.3603938	1.1251426	0	53.990002	37.299999	0.51481563	0.7642045	5.523562	4.1699252	2.5399911	2.1498685	8.4195395	6.0047355	244.9001	131.17712	367.00107	163.00017	263.25	119.125	281.14902	140.922	30.537619	0	0	0	0	0	0	0	160.29349	81.251015	33.029301	14.708499	30.537619	27.133842	5.3953252	5.1870356	0.23970899	0.24457401	2.6517773	2.9850645	1.7756623	2.1763763	0.80558389	1.1845843	0.39811906	0.50616491	0.18423676	0.21275362	0.050205711	0.053081296	0.004379716	0.008875222	0	0	578.125	390.75	340.375	216.25	271.25	162.5	245	141.5	218.5	126.375	157.125	99.5	79.625	49.125	31.75	23.375	7.228416	6.5192022	7.1763501	6.5	0.5	0.5	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-1.9857337	-2.2559736	-1.9747437	-2.2545061	-1.965909	-5.4111814	-5.3330188	-5.3114209	-5.2645407	-5.095974	-5.2019258	1.2020918	1.1461706	230.75	178.25	274.625	220.375	173.75	134.625	66.125	47.625	24.25	16.75	5.75	3.875	0.5	0.75	0	0	0.089400925	0.10692307	0.023469388	0.027385158	1.1877036	1.2909263	1.0598711	1.1777029	1.0759208	1.3776584	1.2929488	1.7136083	1.5141792	1.8850405	1.8226515	1.8234909	1.5276124	0.69628382	1.2021793	0.45777273	0.81477576	0.63568568	2.2796693	1.9806424	3.7727251	2.8348019	4.1858115	3.443589	4.3511286	3.8107338	4.5800614	4.7928071	5.3393946	5.0870528	0	0	1.4401109	1.2314278	407.4339	258.23682	586.75	318	831.625	629.875	411	333.875	177.75	148.875	66.125	51	24.25	17.375	5.75	3.875	0.5	0.75	0	0	600.875	451.625	136.375	113.5	4	14.25	0	3.375	0	0.625	0	0	0	0	0	0	282.336	122.12299	627	88	48	9	122	40
Artemisinin	rac-1,1'-Bi(naphth-2-ol)	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Oc1c(-c2c(O)ccc3c2cccc3)c2c(cc1)cccc2	3.8050928	2.4892926	-88182.25	-78243.125	-667016.75	-554319.88	-154.65057	8.7902603	-10.56012	-8.3809299	10.56012	8.3809299	0.87564999	-0.55160999	45.079445	46.139103	456.67719	500.3681	0	0	0	0	456.67719	500.3681	0	0	0	0	0	0	1	1	1	1	4	2	0	0	0	20	0	0	42	36	0	2	4	4	20	22	12	20	58.156837	44.375771	1.3846866	1.2326603	0	0	0	0	15	20	0	0	0	0	22	14	0	0	0	0	5	2	0	0	0	0	1.8182865	1.6155021	-2.8763011	-2.2803404	-0.46847317	-0.72669649	0.48142555	0.77277195	2.9546874	2.25634	-2.9138391	-2.0443127	-0.40296918	-0.61900836	0.52481794	0.83149064	2.9398463	2.5198784	-2.6583734	-1.9222252	-0.33618459	-0.55959219	0.60764611	0.9403258	3.1623287	2.6219697	30.756554	15.304898	0	1	0	0.039999999	0	22	45	39	1	0	23	25	3	1	0	1	0	0.039999999	44	17	0	0	0	0	0	0	14.120955	15.104083	12.25642	11.822631	10.215178	10.928204	10.292529	13.104083	9.4617796	10.75402	7.713058	7.1732812	6.0543661	6.7260675	6.0990243	9.5993195	7	0	7	0	0	0	0	0	1.0725014	1.0113201	0.76930565	0.70712262	7	9	0	0	0	0	0	0	0	0	67.720932	38.335182	15.392588	8.706974	-3.2059937	-1.3894982	10.423069	7.9901328	0.004222634	0.001093781	0	0	2.59E+12	7.03E+09	-9.7782021	-3.805409	2.59E+12	7.03E+09	-3.9392874	-12.834581	0	0	8.5961571	12.255863	13.212008	13.545888	33.304897	9.3811178	13.629063	9.379631	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76322502	-0.38651478	-0.44299573	-0.01928976	0.11928786	3.1303203	2.5651078	-0.89714968	-0.76275831	-0.31035468	-0.29218093	-0.002505066	0.16487803	3.1423492	2.7971456	-0.53425395	-0.43047214	-0.21040775	-0.2298311	0.10722204	0.25179464	3.3267074	2.9071045	0.21797732	0.27199498	6.1551886	1.6095146	6.7819748	7.3203869	6.7819748	3.4206734	0.72404015	4.9496412	0.72404015	4.8208418	-2.328289	-5.1689649	0	0	0.95388722	11.181719	7.165029	8.7414865	0	-0.26430652	14	7.4478726	14	14	1	1.7902256	0	0.18230359	13.648394	15.5232	4.2631578	6.4814816	1.6952908	2.8106508	13.022482	10.508903	4.0571489	4.2984443	1.6103241	1.8362663	2.6417074	2.0532696	5	2	0	2	1	1	0	1	3.582	5.6859999	-3.4716799	-6.8431201	3.2725534	2.4089129	-88505.227	-78354.789	-655666.63	-549683.94	-124.02571	-7.7951002	-10.87649	-8.27318	10.87649	8.27318	0.70187002	-0.56888998	7.0486565	8.7307806	0	0	1	1	0.54197603	0.44504094	0.76507992	0.96618235	19	22	1	1	4	4	1	1	0	1	0	0	0	0	1.578668	1.391929	-1.578668	-1.391929	0.169572	0.15614173	0.19891214	0.25806317	98.274422	4.4170794	4.2653861	68.101669	0	0	0	0	12.263453	20.648346	14.708499	0	0	0	44.851616	33.343967	37.495354	122.54904	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	15.535081	0.78448415	0.8632499	0.47116494	0.64788818	0.10538135	0.058712635	0.21551585	0.13675013	0.52883506	0.35211185	0.1101345	0.078037493	192.12025	228.41176	115.38834	171.42809	25.807903	15.535081	52.779854	36.183426	129.51176	93.167099	26.971952	20.648346	0.42857143	0.44444445	0.75	0.80000001	3.6450274	2.3959169	-82636.43	-73134.32	-653627.19	-544881.94	-158.23212	19.079359	-10.78035	-8.4782305	10.78035	8.4782305	-0.15042999	-0.64985001	2210.6523	2913.1982	1038.6576	1075.3815	1466.22	2334.6494	1916.4272	2416.3652	1121.4878	810.78595	776.37323	1465.2217	312.79126	637.19043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	264.59518	0	0	0	0	0	0	244.9001	264.59518	0	0	4	5	1	0	2.7981894	3.1897128	4	4	0	0	0	0	0.1	0	2.3949001	5.0711999	0	50.770454	7.7454643	0	81.819725	0	0	0	17.643185	0	0	0	0	0	0	228.38123	75.473625	0	99.978043	10.486856	6.8046999	9.0219603	73.293228	0	0	50.770454	17.643185	0	8.5265026	10.486856	0	16.663008	75.473625	211.71822	7.7454643	0	99.978043	0	2.4099162	2.8681507	1.8617485	1.706655	1.1251426	1.4958305	53.990002	40.459999	0.51481563	0.47938794	5.523562	5.643856	2.5399911	2.8901184	8.4195395	8.6745024	244.9001	264.59518	367.00107	404.9227	263.25	283.125	281.14902	300.33694	30.537619	0	0	0	0	0	0	0	160.29349	219.87021	33.029301	0	30.537619	27.133842	5.3953252	4.3512502	0.23970899	0.55672663	2.6517773	2.6107004	1.7756623	1.8864751	0.80558389	0.73524123	0.39811906	0.22474602	0.18423676	0.092195876	0.050205711	0.023467401	0.004379716	0.000494281	0	0	578.125	843.875	340.375	494.75	271.25	373.625	245	324.875	218.5	290	157.125	248.625	79.625	127.875	31.75	59.75	7.228416	4.2720017	7.1763501	5	0.5	1.118034	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-2.5915418	-2.2559736	-2.5822763	-2.2545061	-2.5599437	-5.4111814	-5.2292562	-5.3114209	-5.0084205	-5.095974	-4.8718753	1.2020918	1.2369397	230.75	174.625	274.625	184.625	173.75	101	66.125	30.375	24.25	10.625	5.75	2.875	0.5	0.25	0	0	0.089400925	0.033456005	0.023469388	0.008849558	1.1877036	0.57285005	1.0598711	0.63639963	1.0759208	0.7706238	1.2929488	0.89639837	1.5141792	0.98259252	1.8226515	0.94605953	1.5276124	0.63391429	1.2021793	0.95376444	0.81477576	0.18305671	2.2796693	1.0844452	3.7727251	2.3388834	4.1858115	3.4811327	4.3511286	3.6023502	4.5800614	3.7608738	5.3393946	4.1647735	0	0	1.4401109	1.4586281	407.4339	455.39371	586.75	664.25	831.625	975.875	411	438	177.75	149.75	66.125	38	24.25	12.5	5.75	2.875	0.5	0.25	0	0	600.875	801.25	136.375	253.375	4	48.75	0	7.625	0	1.875	0	0	0	0	0	0	282.336	286.32999	627	915	48	40	122	122
Artemisinin	4-Sulfamoylbenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	S(=O)(=O)(N)c1ccc(C(=O)O)cc1	3.8050928	2.8441513	-88182.25	-61700.012	-667016.75	-290815.5	-154.65057	-132.33337	-10.56012	-10.50452	10.56012	10.50452	0.87564999	-1.2626899	45.079445	24.195551	456.67719	360.02237	0	0	0	0	456.67719	360.02237	0	0	0	0	0	0	1	1	1	2	4	4	0	0	0	6	0	0	42	20	0	3	4	7	20	13	12	6	58.156837	39.135593	1.3846866	1.9567796	0	0	0	0	15	7	0	0	0	0	22	7	0	0	0	1	5	4	0	0	0	1	1.8182865	2.4191444	-2.8763011	-2.3195469	-0.46847317	-0.61251605	0.48142555	0.68933892	2.9546874	2.3596344	-2.9138391	-2.5722895	-0.40296918	-0.52673388	0.52481794	0.75672847	2.9398463	2.3403172	-2.6583734	-1.9677126	-0.33618459	-0.46462914	0.60764611	0.82149166	3.1623287	2.7198923	30.756554	14.426449	0	2	0	0.15384616	0	6	45	20	1	1	23	13	3	3	0	2	0	0.15384616	44	13	0	0	0	0	0	0	14.120955	10.060478	12.25642	7.2834549	10.215178	3.809401	10.292529	4.5604777	9.4617796	5.9097023	7.713058	4.8185773	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.266417	0.76930565	0.93009853	7	7	0	0	0	0	0	0	0	0	67.720932	62.107719	15.392588	29.483534	-3.2059937	-47.238388	10.423069	-42.442135	0.004222634	0.00010288	0	0	2.59E+12	1.48E+08	-9.7782021	-4.1389642	2.59E+12	1.48E+08	-3.9392874	-24.187559	0	0	8.5961571	6.6108232	13.212008	45.012409	33.304897	68.455399	13.629063	4.7962546	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.77408785	-0.38651478	-0.45465073	-0.01928976	0.12558208	3.1303203	2.1664312	-0.89714968	-1.3482645	-0.31035468	-0.45900047	-0.002505066	0.18036607	3.1423492	2.1836724	-0.53425395	-0.41724101	-0.21040775	-0.21201409	0.10722204	0.23814498	3.3267074	2.4425225	0.21797732	0.02368265	6.1551886	6.3080993	6.7819748	12.530806	6.7819748	3.0925136	0.72404015	-0.62094891	0.72404015	-0.36015394	-2.328289	-1.1612014	0	1.4239553	0.95388722	4.2128758	7.165029	4.770586	0	-0.99772382	14	4.4475589	14	14	1	1.0239505	0	3.505764	13.648394	11.076923	4.2631578	4.0221605	1.6952908	3	13.022482	9.5844479	4.0571489	3.4347436	1.6103241	2.5334241	2.6417074	2.5323169	5	5	0	3	1	1	0	0	3.582	0.011	-3.4716799	-1.5808901	3.2725534	3.6591473	-88505.227	-62550.684	-655666.63	-287021.16	-124.02571	15.04426	-10.87649	-10.52147	10.87649	10.52147	0.70187002	-1.7642	7.0486565	4.6463799	0	0	1	1	0.54197603	0.14016812	0.76507992	0.91720325	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.330281	-1.578668	-1.330281	0.169572	0.21893433	0.19891214	0.24618068	98.274422	54.061981	4.2653861	17.061544	0	0	0	0	12.263453	10.324173	14.708499	18.893101	0	0	44.851616	24.509808	37.495354	0	0	0	7.2334704	9.0437498	7.2334704	32.016521	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.55903703	0.47116494	0.46412125	0.10538135	0.28492555	0.21551585	0.44096294	0.52883506	0.53587878	0.1101345	0.15603739	192.12025	104.67709	115.38834	86.904541	25.807903	53.350983	52.779854	82.56826	129.51176	100.3408	26.971952	29.217274	0.42857143	0.42857143	0.75	0.75	3.6450274	2.0135264	-82636.43	-56729.418	-653627.19	-279127.06	-158.23212	-130.48372	-10.78035	-10.55751	10.78035	10.55751	-0.15042999	-1.12925	2210.6523	1715.5967	1038.6576	233.7662	1466.22	1529.6711	1916.4272	1667.756	1121.4878	347.30719	776.37323	1195.0044	312.79126	173.28503	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	187.24535	0	0	0	0	0	0	244.9001	187.24535	0	0	4	4	1	0	2.7981894	2.9200578	4	1	0	0	0	0	0.1	0.07692308	2.3949001	0.032200001	0	31.291433	7.7454643	55.917152	81.819725	6.6407428	0	25.385227	17.643185	27.047791	0	1.5507339	0	0	0	70.572739	75.473625	0	99.978043	0	6.8046999	4.4774499	73.293228	72.033905	0	0	17.643185	26.935961	8.5265026	3.185575	0	31.291433	75.473625	70.572739	7.7454643	7.7454643	99.978043	6.6407428	2.4099162	2.757529	1.8617485	1.3095587	1.1251426	0.42436078	53.990002	97.459999	0.51481563	0.6193822	5.523562	4.7004399	2.5399911	2.6449926	8.4195395	7.0727215	244.9001	187.24535	367.00107	216.32332	263.25	158.875	281.14902	193.19525	30.537619	32.016521	0	0	0	0	0	20.13512	160.29349	69.627121	33.029301	24.814108	30.537619	79.285484	5.3953252	2.1653106	0.23970899	0.059955403	2.6517773	3.0651176	1.7756623	2.8220084	0.80558389	2.3557425	0.39811906	1.1609776	0.18423676	0.51481497	0.050205711	0.19791611	0.004379716	0.045946606	0	0.006731858	578.125	390.875	340.375	211.25	271.25	147.25	245	107.25	218.5	74.75	157.125	53.375	79.625	35	31.75	21.75	7.228416	0.5	7.1763501	0.5	0.5	1	0.70710677	0.86602539	0.70710677	0.5	0.70710677	1.2247449	-2.2570698	-2.2733696	-2.2559736	-2.2229733	-2.2545061	-2.1878552	-5.4111814	-6.4866881	-5.3114209	-6.2635908	-5.095974	-6.2364984	1.2020918	1.2194208	230.75	228.125	274.625	358.625	173.75	312.375	66.125	123.375	24.25	48.125	5.75	18.875	0.5	4	0	0.75	0.089400925	0.39473686	0.023469388	0.19114219	1.1877036	0.73283905	1.0598711	0.85506845	1.0759208	0.90375453	1.2929488	1.2034961	1.5141792	1.6930825	1.8226515	2.0329645	1.5276124	2.1130576	1.2021793	2.0700655	0.81477576	0.30466273	2.2796693	0.43179819	3.7727251	0.56249905	4.1858115	0.952393	4.3511286	1.2904843	4.5800614	1.7139558	5.3393946	3.547998	0	4.1720243	1.4401109	1.2651213	407.4339	328.2294	586.75	415.25	831.625	975.875	411	717.25	177.75	420.625	66.125	154	24.25	58.125	5.75	20.5	0.5	4	0	0.75	600.875	747.75	136.375	358.625	4	108.25	0	30.625	0	10	0	1.625	0	0	0	0	282.336	201.202	627	252	48	17	122	64
Artemisinin	5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1c2c(O)c(O)c(O)cc2OC(c2ccccc2)=C1	3.8050928	6.0915136	-88182.25	-84372.18	-667016.75	-501321.09	-154.65057	-123.49501	-10.56012	-8.7958899	10.56012	8.7958899	0.87564999	-0.94455999	45.079445	37.07793	456.67719	455.93848	0	0	0	0	456.67719	455.93848	0	0	0	0	0	0	1	1	1	1	4	4	0	0	0	12	0	0	42	30	0	3	4	7	20	20	12	14	58.156837	43.774437	1.3846866	1.4591479	0	0	0	0	15	15	0	0	0	0	22	10	0	0	0	0	5	5	0	0	0	0	1.8182865	1.7079234	-2.8763011	-2.2858312	-0.46847317	-0.72014797	0.48142555	0.76429504	2.9546874	2.331049	-2.9138391	-2.1881914	-0.40296918	-0.62941462	0.52481794	0.83027208	2.9398463	2.5166032	-2.6583734	-1.9697075	-0.33618459	-0.55530232	0.60764611	0.92843354	3.1623287	2.6372492	30.756554	13.80607	0	1	0	0.045454547	0	12	45	32	1	2	23	22	3	1	0	1	0	0.045454547	44	18	0	0	0	0	0	0	14.120955	14.275657	12.25642	10.199589	10.215178	8.0414515	10.292529	9.5685492	9.4617796	9.575387	7.713058	5.848577	6.0543661	4.5653839	6.0990243	6.4494896	7	0	7	0	0	0	0	0	1.0725014	1.1265868	0.76930565	0.80731207	7	10	0	0	0	0	0	0	0	0	67.720932	37.838398	15.392588	14.62504	-3.2059937	-8.889864	10.423069	3.429883	0.004222634	0.001163948	0	0	2.59E+12	1.32E+12	-9.7782021	-3.1671288	2.59E+12	1.32E+12	-3.9392874	-17.140461	0	0	8.5961571	8.1200666	13.212008	18.577126	33.304897	11.662244	13.629063	12.319747	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75501138	-0.38651478	-0.47143266	-0.01928976	0.15986584	3.1303203	2.3861563	-0.89714968	-0.78342253	-0.31035468	-0.30751243	-0.002505066	0.1676802	3.1423492	2.5497563	-0.53425395	-0.43270329	-0.21040775	-0.23448788	0.10722204	0.26409283	3.3267074	2.6823909	0.21797732	0.009170658	6.1551886	4.6762629	6.7819748	9.3787088	6.7819748	2.8978434	0.72404015	2.6754704	0.72404015	2.6283963	-2.328289	-3.5340788	0	0	0.95388722	9.1906033	7.165029	7.2519922	0	-0.86820054	14	6.2324133	14	14	1	2.8844259	0	1.155073	13.648394	14.917356	4.2631578	6.0117188	1.6952908	2.8450413	13.022482	10.526089	4.0571489	4.1569376	1.6103241	1.9381999	2.6417074	2.1878147	5	5	0	3	1	1	0	0	3.582	2.493	-3.4716799	-3.46264	3.2725534	5.0386653	-88505.227	-84610.203	-655666.63	-498296.75	-124.02571	-149.00079	-10.87649	-8.9742899	10.87649	8.9742899	0.70187002	-0.67417002	7.0486565	7.0110474	0	0	1	1	0.54197603	0.18153007	0.76507992	0.82709229	19	17	1	1	4	3	1	1	0	0	0	0	0	0	1.578668	1.9520426	-1.578668	-1.9520426	0.169572	0.11142263	0.19891214	0.18296482	98.274422	26.718348	4.2653861	48.98328	0	25.375559	0	8.458519	12.263453	30.972517	14.708499	0	0	0	44.851616	0	37.495354	61.274521	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	25.806377	0.78448415	0.70829749	0.47116494	0.41735557	0.10538135	0.16326897	0.21551585	0.29170248	0.52883506	0.5826444	0.1101345	0.12843351	192.12025	170.81023	115.38834	100.64782	25.807903	39.373299	52.779854	70.345818	129.51176	140.50822	26.971952	30.972517	0.42857143	0.5	0.75	1	3.6450274	5.8958054	-82636.43	-78369.047	-653627.19	-492758.22	-158.23212	-134.19418	-10.78035	-8.8243599	10.78035	8.8243599	-0.15042999	-1.07648	2210.6523	3473.3225	1038.6576	627.80591	1466.22	2860.4265	1916.4272	3458.4126	1121.4878	2347.2217	776.37323	1079.2861	312.79126	46.814651	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	241.15604	0	0	0	0	0	0	244.9001	241.15604	0	0	4	5	1	0	2.7981894	3.5850708	4	3	0	0	0	0	0.1	0.85000002	2.3949001	2.4196	0	87.155563	7.7454643	5.6876111	81.819725	0	0	0	17.643185	30.233366	0	0	0	0	0	128.74571	75.473625	0	99.978043	20.973713	6.8046999	7.0813899	73.293228	23.862217	0	87.155563	17.643185	0	8.5265026	27.344862	0	5.2434282	75.473625	123.50229	7.7454643	5.6876111	99.978043	0	2.4099162	3.5468733	1.8617485	1.7345639	1.1251426	0.33966118	53.990002	86.989998	0.51481563	0.49991596	5.523562	5.4594316	2.5399911	3.0326366	8.4195395	8.356739	244.9001	241.15604	367.00107	334.74042	263.25	239.875	281.14902	261.02597	30.537619	13.566921	0	0	0	0	0	0	160.29349	157.36914	33.029301	10.962276	30.537619	54.267685	5.3953252	6.8810577	0.23970899	0.07562577	2.6517773	2.8501112	1.7756623	2.3095176	0.80558389	1.5867399	0.39811906	0.82360953	0.18423676	0.46463993	0.050205711	0.24239339	0.004379716	0.10721622	0	0.04461154	578.125	612.875	340.375	363.125	271.25	267.25	245	225.125	218.5	191.375	157.125	160.875	79.625	98.5	31.75	59.875	7.228416	6.0827627	7.1763501	0.5	0.5	6.1846585	0.70710677	4.8476801	0.70710677	0.5	0.70710677	4.974937	-2.2570698	-2.444262	-2.2559736	-2.4434369	-2.2545061	-2.4219866	-5.4111814	-7.9360104	-5.3114209	-7.8445654	-5.095974	-7.8413315	1.2020918	1.2573216	230.75	287.375	274.625	369.625	173.75	321	66.125	151.125	24.25	72.875	5.75	33	0.5	12.25	0	5.125	0.089400925	0.2787652	0.023469388	0.14714047	1.1877036	2.3533068	1.0598711	2.1529005	1.0759208	2.3658543	1.2929488	2.7402463	1.5141792	3.1278961	1.8226515	2.9958231	1.5276124	1.7978985	1.2021793	0.80799782	0.81477576	0.51411712	2.2796693	1.9853361	3.7727251	3.0299454	4.1858115	4.1070275	4.3511286	4.5242605	4.5800614	4.9918232	5.3393946	5.3376436	0	5.4739599	1.4401109	1.3634239	407.4339	417.88174	586.75	569.75	831.625	1103.75	411	688	177.75	384.375	66.125	159.375	24.25	74.5	5.75	33.125	0.5	12.25	0	5.125	600.875	816.375	136.375	318.375	4	63.375	0	8.25	0	1.625	0	0.125	0	0	0	0	282.336	270.23999	627	767	48	35	122	108
Artemisinin	Azelaic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)CCCCCCCC(=O)O	3.8050928	3.1718261	-88182.25	-61281.648	-667016.75	-295859.31	-154.65057	-234.25713	-10.56012	-11.43281	10.56012	11.43281	0.87564999	0.97457999	45.079445	29.716688	456.67719	432.55893	0	0	0	0	456.67719	432.55893	0	0	0	0	0	0	1	2	1	3	4	4	0	0	0	0	0	0	42	29	0	4	4	8	20	13	12	7	58.156837	40.352123	1.3846866	1.3914526	0	0	0	0	15	9	0	0	0	0	22	16	0	0	0	0	5	4	0	0	0	0	1.8182865	2.9234202	-2.8763011	-2.6724265	-0.46847317	-0.51587284	0.48142555	0.44741347	2.9546874	2.6361172	-2.9138391	-2.5324523	-0.40296918	-0.47662503	0.52481794	0.39322752	2.9398463	2.781621	-2.6583734	-2.4295337	-0.33618459	-0.30389115	0.60764611	0.58140266	3.1623287	2.8784723	30.756554	19.407312	0	8	0	0.66666669	0	0	45	28	1	2	23	12	3	8	0	8	0	0.66666669	44	26	0	0	0	0	0	0	14.120955	10.104448	12.25642	7.6606712	10.215178	5.9497476	10.292529	6.1044478	9.4617796	6.1258979	7.713058	4.5625687	6.0543661	3.7071068	6.0990243	3.8164966	7	0	7	0	0	0	0	0	1.0725014	1.011272	0.76930565	0.74349201	7	10	0	0	0	0	0	0	0	0	67.720932	-20.71036	15.392588	8.9530926	-3.2059937	-45.90559	10.423069	-42.926788	0.004222634	3.00E-05	0	-3.05E-05	2.59E+12	2.64E+11	-9.7782021	-1.2528658	2.59E+12	2.64E+11	-3.9392874	-17.586561	0	0	8.5961571	1.786379	13.212008	14.594814	33.304897	11.476929	13.629063	2.9787993	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.79703099	-0.38651478	-0.44278243	-0.01928976	0.087471008	3.1303203	2.3869991	-0.89714968	-0.87297088	-0.31035468	-0.32201064	-0.002505066	0.037794679	3.1423492	2.4921341	-0.53425395	-0.53128481	-0.21040775	-0.23408756	0.10722204	0.20343894	3.3267074	2.5962691	0.21797732	0.027651539	6.1551886	4.5423274	6.7819748	9.2556219	6.7819748	3.6405339	0.72404015	1.018858	0.72404015	1.1779352	-2.328289	-1.2474104	0	0	0.95388722	1.9090091	7.165029	4.8963523	0	-1.9805794	14	4.6898322	14	14	1	1.1007608	0	5.5267568	13.648394	13	4.2631578	8.5917158	1.6952908	12	13.022482	11.191	4.0571489	7.296	1.6103241	10.07304	2.6417074	6.2807336	5	4	0	2	1	1	0	0	3.582	1.686	-3.4716799	-1.29526	3.2725534	2.7168746	-88505.227	-61547.629	-655666.63	-292730.34	-124.02571	-214.44582	-10.87649	-11.48639	10.87649	11.48639	0.70187002	0.85101998	7.0486565	4.9104071	0	0	1	1	0.54197603	0.036503632	0.76507992	0.97626847	19	0	1	1	4	0	1	8	0	0	0	0	0	0	1.578668	1.4392362	-1.578668	-1.4392362	0.169572	0.18036486	0.19891214	0.23016891	98.274422	77.118034	4.2653861	0	0	0	0	0	12.263453	20.648346	14.708499	29.416998	0	0	44.851616	17.402626	37.495354	26.103939	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	15.535081	0.78448415	0.56536013	0.47116494	0.40389928	0.10538135	0.19998664	0.21551585	0.43463987	0.52883506	0.59610075	0.1101345	0.23465322	192.12025	120.6246	115.38834	86.175491	25.807903	42.668922	52.779854	92.734268	129.51176	127.18337	26.971952	50.065342	0.42857143	0.5	0.75	1	3.6450274	3.2133288	-82636.43	-57429.277	-653627.19	-290418.31	-158.23212	-220.91299	-10.78035	-11.38145	10.78035	11.38145	-0.15042999	0.91485	2210.6523	3504.5645	1038.6576	127.11755	1466.22	3399.6853	1916.4272	3482.3262	1121.4878	2553.6548	776.37323	731.50269	312.79126	219.407	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	213.35886	0	0	0	0	0	0	244.9001	213.35886	0	0	4	5	1	0	2.7981894	4.3149986	4	0	0	0	0	0	0.1	0	2.3949001	1.8863	0	0	7.7454643	15.490929	81.819725	47.724434	0	50.770454	17.643185	0	0	0	0	0	0	0	75.473625	132.07884	99.978043	0	6.8046999	4.7590599	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	0	0	0	75.473625	132.07884	7.7454643	15.490929	99.978043	0	2.4099162	3.7645473	1.8617485	0.90374827	1.1251426	0.62599725	53.990002	74.599998	0.51481563	0.5894835	5.523562	4.5849624	2.5399911	3.2130334	8.4195395	7.0079575	244.9001	213.35886	367.00107	253.16075	263.25	186.125	281.14902	234.58328	30.537619	0	0	0	0	0	0	0	160.29349	110.65946	33.029301	29.416998	30.537619	54.267685	5.3953252	1.6502469	0.23970899	0.080604002	2.6517773	2.9587986	1.7756623	2.6615946	0.80558389	1.4154072	0.39811906	0.72055495	0.18423676	0.33142298	0.050205711	0.097942583	0.004379716	0.00472792	0	0	578.125	482.125	340.375	277	271.25	203.75	245	182.125	218.5	155.375	157.125	127.125	79.625	78.875	31.75	20.25	7.228416	0.5	7.1763501	10.452272	0.5	10.416333	0.70710677	16.007811	0.70710677	16.015617	0.70710677	0.5	-2.2570698	-1.8536423	-2.2559736	-1.8427422	-2.2545061	-1.8128748	-5.4111814	-5.268003	-5.3114209	-5.2607737	-5.095974	-5.095767	1.2020918	1.2838272	230.75	335.25	274.625	442.375	173.75	269.5	66.125	103.375	24.25	39.5	5.75	10.5	0.5	0.875	0	0	0.089400925	0.2	0.023469388	0.057652712	1.1877036	0.54938316	1.0598711	0.5592854	1.0759208	0.57343245	1.2929488	0.64600217	1.5141792	0.7339685	1.8226515	0.89658064	1.5276124	0.67159534	1.2021793	0.41334799	0.81477576	0.26165169	2.2796693	0.52175581	3.7727251	0.91337723	4.1858115	1.0262114	4.3511286	1.0825723	4.5800614	1.2411897	5.3393946	4.0205226	0	0	1.4401109	1.2750865	407.4339	389.09125	586.75	496.125	831.625	1005.375	411	634.625	177.75	297.5	66.125	110.875	24.25	40.75	5.75	10.5	0.5	0.875	0	0	600.875	670.125	136.375	192.25	4	28	0	7.5	0	1.25	0	0	0	0	0	0	282.336	188.22299	627	344	48	10	122	50
Artemisinin	Cyclopropanecarboxylic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)C1CC1	3.8050928	1.8475296	-88182.25	-28488.246	-667016.75	-96951.219	-154.65057	-72.897598	-10.56012	-11.51363	10.56012	11.51363	0.87564999	0.87568998	45.079445	12.644758	456.67719	247.90071	0	0	0	0	456.67719	247.90071	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	0	0	0	42	12	0	2	4	4	20	6	12	3	58.156837	17.509775	1.3846866	1.4591479	0	0	0	0	15	4	0	0	0	0	22	6	0	0	0	0	5	2	0	0	0	0	1.8182865	2.1798108	-2.8763011	-2.103857	-0.46847317	-0.52650517	0.48142555	0.54282504	2.9546874	2.7692685	-2.9138391	-2.2065072	-0.40296918	-0.46567929	0.52481794	0.5414995	2.9398463	2.8396504	-2.6583734	-1.8865303	-0.33618459	-0.35504577	0.60764611	0.67050111	3.1623287	2.9980202	30.756554	7.517242	0	1	0	0.16666667	0	0	45	12	1	1	23	6	3	2	0	1	0	0.16666667	44	11	0	0	0	0	0	0	14.120955	4.5689139	12.25642	3.3470256	10.215178	2.4915638	10.292529	2.5689142	9.4617796	2.8045304	7.713058	2.0329027	6.0543661	1.6051717	6.0990243	1.6498299	7	0	7	0	0	0	0	0	1.0725014	0.99670041	0.76930565	0.80145043	7	3	0	0	0	0	0	0	0	0	67.720932	86.339836	15.392588	78.607887	-3.2059937	-8.7197466	10.423069	-8.7195234	0.004222634	1.39E-06	0	0	2.59E+12	8.36E+10	-9.7782021	-2.6673071	2.59E+12	8.36E+10	-3.9392874	-8.5760851	0	0	8.5961571	0.43215165	13.212008	9.3578777	33.304897	16.01932	13.629063	0.000223548	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.70364869	-0.38651478	-0.42805469	-0.01928976	0.10629492	3.1303203	1.9292973	-0.89714968	-0.88226694	-0.31035468	-0.36023095	-0.002505066	0.10811567	3.1423492	1.9638919	-0.53425395	-0.46444634	-0.21040775	-0.23977651	0.10722204	0.20979398	3.3267074	2.1374412	0.21797732	0.20978805	6.1551886	2.273221	6.7819748	4.5581918	6.7819748	1.7430649	0.72404015	-0.43292245	0.72404015	-0.29219908	-2.328289	-0.1683463	0	0	0.95388722	0.95451134	7.165029	2.1360691	0	-0.99106997	14	4.9547477	14	14	1	1.052349	0	2.8129065	13.648394	4.1666665	4.2631578	1.25	1.6952908	0.5925926	13.022482	3.4975834	4.0571489	1.0053594	1.6103241	0.45633334	2.6417074	0.58605468	5	2	0	1	1	1	0	0	3.582	0.27200001	-3.4716799	0.10476	3.2725534	1.8043793	-88505.227	-28615.455	-655666.63	-96517.313	-124.02571	-77.0485	-10.87649	-11.41974	10.87649	11.41974	0.70187002	0.92469001	7.0486565	2.1305146	0	0	1	1	0.54197603	0.32626653	0.76507992	0.77408051	19	3	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.67688119	-1.578668	-0.67688119	0.169572	0.38810492	0.19891214	0.48909512	98.274422	21.326929	4.2653861	0	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	17.402626	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.45512414	0.47116494	0.45521262	0.10538135	0.25070846	0.21551585	0.54487586	0.52883506	0.54478735	0.1101345	0.2941674	192.12025	38.729557	115.38834	38.737087	25.807903	21.334461	52.779854	46.367134	129.51176	46.3596	26.971952	25.032671	0.42857143	0.33333334	0.75	0.5	3.6450274	1.8428638	-82636.43	-26601.746	-653627.19	-94590.156	-158.23212	-72.681236	-10.78035	-11.34738	10.78035	11.34738	-0.15042999	0.94775999	2210.6523	235.23476	1038.6576	73.08242	1466.22	173.39101	1916.4272	223.99608	1121.4878	75.703941	776.37323	93.209534	312.79126	66.321281	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	85.096687	0	0	0	0	0	0	244.9001	85.096687	0	0	4	2	1	0	2.7981894	1.6530058	4	1	0	0	0	0	0.1	0	2.3949001	0.48100001	0	0	7.7454643	7.7454643	81.819725	23.862217	0	25.385227	17.643185	4.4107962	0	0	0	0	0	0	75.473625	37.736813	99.978043	0	6.8046999	2.03598	73.293228	23.862217	0	0	17.643185	29.796022	8.5265026	0	0	0	75.473625	37.736813	7.7454643	7.7454643	99.978043	0	2.4099162	1.5559189	1.8617485	0.94635361	1.1251426	0.71265173	53.990002	37.299999	0.51481563	0.91829586	5.523562	3.5849626	2.5399911	1.5655962	8.4195395	4.7709422	244.9001	85.096687	367.00107	107.41775	263.25	86.375	281.14902	111.60416	30.537619	0	0	0	0	0	0	0	160.29349	33.825527	33.029301	14.708499	30.537619	27.133842	5.3953252	3.7148633	0.23970899	0.14611425	2.6517773	3.046062	1.7756623	1.9969224	0.80558389	1.1867414	0.39811906	0.6563257	0.18423676	0.31852841	0.050205711	0.10780579	0.004379716	0.003128502	0	0	578.125	242.125	340.375	135.25	271.25	113.875	245	102.5	218.5	87	157.125	55.25	79.625	16	31.75	3.5	7.228416	0.5	7.1763501	0.70710677	0.5	0.5	0.70710677	0.86602539	0.70710677	0.5	0.70710677	1.2247449	-2.2570698	-1.8939614	-2.2559736	-1.8920618	-2.2545061	-1.8272662	-5.4111814	-5.2774892	-5.3114209	-5.1354127	-5.095974	-5.0828848	1.2020918	1.1419158	230.75	192.125	274.625	222.5	173.75	129.25	66.125	54.5	24.25	21.5	5.75	6.25	0.5	0.5	0	0	0.089400925	0.19648738	0.023469388	0.062195122	1.1877036	1.1463915	1.0598711	1.2165612	1.0759208	1.5124989	1.2929488	1.7003803	1.5141792	1.9012035	1.8226515	1.4677576	1.5276124	0.56996077	1.2021793	1.9484094	0.81477576	0.7193228	2.2796693	1.7146953	3.7727251	2.0075655	4.1858115	2.1458375	4.3511286	2.2108579	4.5800614	2.5054646	5.3393946	4.1272573	0	0	1.4401109	1.136564	407.4339	217.54164	586.75	247.25	831.625	511.75	411	285.875	177.75	143.5	66.125	58.125	24.25	22.375	5.75	6.375	0.5	0.5	0	0	600.875	319.625	136.375	63.375	4	14.25	0	3.625	0	0.875	0	0.125	0	0	0	0	282.336	86.089996	627	28	48	4	122	28
Artemisinin	phenylacetic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)Cc1ccccc1	3.8050928	1.8777074	-88182.25	-40948.223	-667016.75	-180362.34	-154.65057	-75.167183	-10.56012	-9.7311697	10.56012	9.7311697	0.87564999	0.12933999	45.079445	21.018345	456.67719	322.75378	0	0	0	0	456.67719	322.75378	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	18	0	2	4	4	20	10	12	7	58.156837	25.058651	1.3846866	1.3921472	0	0	0	0	15	8	0	0	0	0	22	8	0	0	0	0	5	2	0	0	0	0	1.8182865	2.1712205	-2.8763011	-2.2902071	-0.46847317	-0.57334173	0.48142555	0.62157416	2.9546874	2.3324616	-2.9138391	-2.3189237	-0.40296918	-0.51115608	0.52481794	0.72193432	2.9398463	2.3587546	-2.6583734	-2.0223064	-0.33618459	-0.4279027	0.60764611	0.76381689	3.1623287	2.5934532	30.756554	9.7036562	0	2	0	0.2	0	6	45	18	1	1	23	10	3	2	0	2	0	0.2	44	11	0	0	0	0	0	0	14.120955	7.3973413	12.25642	5.4493198	10.215178	4.5938582	10.292529	5.3973413	9.4617796	4.7876935	7.713058	3.0455213	6.0543661	2.6177905	6.0990243	3.6329932	7	0	7	0	0	0	0	0	1.0725014	1.003871	0.76930565	0.72640705	7	6	0	0	0	0	0	0	0	0	67.720932	0.70672971	15.392588	4.729876	-3.2059937	-19.763672	10.423069	-16.666254	0.004222634	0.00014585	0	0	2.59E+12	4.68E+11	-9.7782021	-2.4982708	2.59E+12	4.68E+11	-3.9392874	-11.752954	0	0	8.5961571	3.2317297	13.212008	9.0749302	33.304897	9.4112329	13.629063	3.0974169	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75554788	-0.38651478	-0.42216799	-0.01928976	0.086499557	3.1303203	2.0656898	-0.89714968	-0.88939762	-0.31035468	-0.3243171	-0.002505066	0.14717452	3.1423492	2.1604326	-0.53425395	-0.45924628	-0.21040775	-0.22406054	0.10722204	0.20072894	3.3267074	2.3462136	0.21797732	0.11326244	6.1551886	2.2445757	6.7819748	5.3217788	6.7819748	2.4709828	0.72404015	1.2818877	0.72404015	1.3912972	-2.328289	-1.5708199	0	0	0.95388722	4.0194964	7.165029	3.8556571	0	-0.99423033	14	4.7636628	14	14	1	1.0361339	0	3.0733142	13.648394	8.1000004	4.2631578	4	1.6952908	3.1111112	13.022482	5.5951948	4.0571489	2.6337521	1.6103241	1.9686631	2.6417074	1.4736356	5	2	0	1	1	1	0	0	3.582	1.671	-3.4716799	-1.41575	3.2725534	1.791211	-88505.227	-41063.082	-655666.63	-179625.66	-124.02571	-72.528664	-10.87649	-9.56042	10.87649	9.56042	0.70187002	-0.043260001	7.0486565	3.9250708	0	0	1	1	0.54197603	0.2450031	0.76507992	0.86384445	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	0.93460506	-1.578668	-0.93460506	0.169572	0.28241095	0.19891214	0.35418376	98.274422	8.5307722	4.2653861	30.028244	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	2.2085397	37.495354	61.274521	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.68757242	0.47116494	0.57151115	0.10538135	0.14375429	0.21551585	0.31242761	0.52883506	0.42848882	0.1101345	0.16867331	192.12025	102.04208	115.38834	84.81752	25.807903	21.334461	52.779854	46.367134	129.51176	63.591686	26.971952	25.032671	0.42857143	0.5	0.75	1	3.6450274	1.7745366	-82636.43	-38252.777	-653627.19	-176641.84	-158.23212	-72.890839	-10.78035	-9.7976599	10.78035	9.7976599	-0.15042999	0.034320001	2210.6523	737.50873	1038.6576	171.36557	1466.22	604.20947	1916.4272	699.44244	1121.4878	236.95851	776.37323	401.45395	312.79126	99.096283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	148.40921	0	0	0	0	0	0	244.9001	148.40921	0	0	4	3	1	0	2.7981894	2.32742	4	1	0	0	0	0	0.1	0.60000002	2.3949001	1.31367	0	0	7.7454643	7.7454643	81.819725	23.862217	0	25.385227	17.643185	3.185575	0	18.868406	0	0	0	88.215919	75.473625	0	99.978043	0	6.8046999	3.7781799	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	3.185575	0	0	75.473625	107.08433	7.7454643	7.7454643	99.978043	0	2.4099162	2.1401031	1.8617485	1.2981997	1.1251426	0.72024077	53.990002	37.299999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.4245358	8.4195395	6.2958374	244.9001	148.40921	367.00107	187.42935	263.25	135.625	281.14902	162.72157	30.537619	0	0	0	0	0	0	0	160.29349	97.059509	33.029301	14.708499	30.537619	27.133842	5.3953252	4.6928687	0.23970899	0.20329314	2.6517773	2.9034634	1.7756623	2.1576729	0.80558389	0.99751115	0.39811906	0.48249298	0.18423676	0.23888551	0.050205711	0.081561692	0.004379716	0.002918209	0	0	578.125	429.125	340.375	238.375	271.25	180.5	245	163.5	218.5	145.625	157.125	115.875	79.625	55	31.75	19	7.228416	0.5	7.1763501	0.70710677	0.5	0.5	0.70710677	1	0.70710677	0.5	0.70710677	0.5	-2.2570698	-2.3196263	-2.2559736	-2.3189597	-2.2545061	-2.3041344	-5.4111814	-5.1970835	-5.3114209	-5.1292062	-5.095974	-5.0991936	1.2020918	1.1595566	230.75	192.875	274.625	231.875	173.75	133.5	66.125	51.625	24.25	21	5.75	6.375	0.5	0.375	0	0	0.089400925	0.12049861	0.023469388	0.038990825	1.1877036	1.2619267	1.0598711	1.1798797	1.0759208	1.3127451	1.2929488	1.5637907	1.5141792	1.7876066	1.8226515	1.7080528	1.5276124	1.117664	1.2021793	0.86707133	0.81477576	0.60837513	2.2796693	1.9704818	3.7727251	3.0954971	4.1858115	3.4048965	4.3511286	3.4149778	4.5800614	3.6568975	5.3393946	5.1369557	0	0	1.4401109	1.2724062	407.4339	285.48273	586.75	363.25	831.625	675.375	411	349.75	177.75	150.625	66.125	55.625	24.25	21.75	5.75	6.375	0.5	0.375	0	0	600.875	482.5	136.375	117.875	4	17.125	0	4	0	0.75	0	0	0	0	0	0	282.336	136.14999	627	126	48	9	122	44
Artemisinin	Pimelic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)CCCCCC(=O)O	3.8050928	5.6141243	-88182.25	-54087.723	-667016.75	-249032.34	-154.65057	-214.0014	-10.56012	-11.21522	10.56012	11.21522	0.87564999	0.84619999	45.079445	23.529516	456.67719	355.90234	0	0	0	0	456.67719	355.90234	0	0	0	0	0	0	1	2	1	3	4	4	0	0	0	0	0	0	42	23	0	4	4	8	20	11	12	5	58.156837	33.370892	1.3846866	1.4509083	0	0	0	0	15	7	0	0	0	0	22	12	0	0	0	0	5	4	0	0	0	0	1.8182865	2.9224656	-2.8763011	-2.6129882	-0.46847317	-0.51599663	0.48142555	0.44747376	2.9546874	2.6059616	-2.9138391	-2.5041676	-0.40296918	-0.47703934	0.52481794	0.39323181	2.9398463	2.7263839	-2.6583734	-2.3801417	-0.33618459	-0.30391979	0.60764611	0.58149636	3.1623287	2.8388274	30.756554	15.034484	0	6	0	0.60000002	0	0	45	22	1	2	23	10	3	6	0	6	0	0.60000002	44	20	0	0	0	0	0	0	14.120955	8.6902342	12.25642	6.2464576	10.215178	4.5355339	10.292529	4.6902347	9.4617796	5.1258979	7.713058	3.5625687	6.0543661	2.7071068	6.0990243	2.8164966	7	0	7	0	0	0	0	0	1.0725014	1.0598445	0.76930565	0.78398001	7	8	0	0	0	0	0	0	0	0	67.720932	-19.914518	15.392588	6.9091659	-3.2059937	-38.167355	10.423069	-36.873447	0.004222634	0.000193996	0	0	2.59E+12	3.00E+09	-9.7782021	-4.9418855	2.59E+12	3.00E+09	-3.9392874	-23.791813	0	0	8.5961571	1.7619772	13.212008	9.7160482	33.304897	8.2875919	13.629063	1.2939062	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.78365338	-0.38651478	-0.45564494	-0.01928976	0.087611467	3.1303203	2.2497284	-0.89714968	-0.8736636	-0.31035468	-0.34767339	-0.002505066	0.03785703	3.1423492	2.3270669	-0.53425395	-0.52867013	-0.21040775	-0.23529914	0.10722204	0.20380591	3.3267074	2.455806	0.21797732	0.13328408	6.1551886	4.5399952	6.7819748	9.113555	6.7819748	3.4953141	0.72404015	0.003439111	0.72404015	0.16161667	-2.328289	-0.58805877	0	0	0.95388722	1.909012	7.165029	3.9875813	0	-1.9807074	14	4.6812687	14	14	1	1.1002024	0	5.5423441	13.648394	11	4.2631578	6.6942148	1.6952908	10	13.022482	9.1894398	4.0571489	5.4815207	1.6103241	8.0428753	2.6417074	4.5792823	5	4	0	2	1	1	0	0	3.582	0.80199999	-3.4716799	-0.26482001	3.2725534	5.3822293	-88505.227	-54327.402	-655666.63	-243740.3	-124.02571	-199.50612	-10.87649	-11.28402	10.87649	11.28402	0.70187002	0.78899997	7.0486565	3.9690318	0	0	1	1	0.54197603	0.25861317	0.76507992	0.88403028	19	0	1	1	4	0	1	6	0	0	0	0	0	0	1.578668	1.3331226	-1.578668	-1.3331226	0.169572	0.19472149	0.19891214	0.24848984	98.274422	60.056488	4.2653861	0	0	0	0	0	12.263453	20.648346	14.708499	29.416998	0	0	44.851616	17.402626	37.495354	8.701313	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	15.535081	0.78448415	0.48162651	0.47116494	0.38443211	0.10538135	0.23851418	0.21551585	0.51837349	0.52883506	0.61556792	0.1101345	0.2798593	192.12025	86.160423	115.38834	68.772865	25.807903	42.668922	52.779854	92.734268	129.51176	110.12183	26.971952	50.065342	0.42857143	0.5	0.75	1	3.6450274	5.3942971	-82636.43	-50529.168	-653627.19	-243477.3	-158.23212	-206.95335	-10.78035	-11.16966	10.78035	11.16966	-0.15042999	0.78376001	2210.6523	1210.7023	1038.6576	292.25916	1466.22	999.04395	1916.4272	1130.1016	1121.4878	205.94328	776.37323	752.69397	312.79126	252.06506	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	178.8947	0	0	0	0	0	0	244.9001	178.8947	0	0	4	4	1	0	2.7981894	2.7493465	4	0	0	0	0	0	0.1	0	2.3949001	1.1061	0	0	7.7454643	15.490929	81.819725	47.724434	0	50.770454	17.643185	0	0	0	0	0	0	0	75.473625	94.342026	99.978043	0	6.8046999	3.83566	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	0	0	0	75.473625	94.342026	7.7454643	15.490929	99.978043	0	2.4099162	2.2203875	1.8617485	1.343745	1.1251426	0.81062114	53.990002	74.599998	0.51481563	0.64681429	5.523562	4.321928	2.5399911	2.9078338	8.4195395	6.526093	244.9001	178.8947	367.00107	204.3024	263.25	151.125	281.14902	190.39529	30.537619	0	0	0	0	0	0	0	160.29349	79.042473	33.029301	29.416998	30.537619	54.267685	5.3953252	3.7599204	0.23970899	0.066607378	2.6517773	2.9806864	1.7756623	2.4715443	0.80558389	1.5676342	0.39811906	0.91976064	0.18423676	0.48387682	0.050205711	0.22862287	0.004379716	0.055724051	0	0.015220625	578.125	325.75	340.375	180.625	271.25	139.375	245	122.75	218.5	101.125	157.125	83	79.625	36.25	31.75	7.125	7.228416	1.118034	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-2.505091	-2.2559736	-2.4939563	-2.2545061	-2.460614	-5.4111814	-7.0136681	-5.3114209	-6.9403124	-5.095974	-6.8456521	1.2020918	1.2069527	230.75	325.625	274.625	405	173.75	264.75	66.125	120.5	24.25	51.125	5.75	22.125	0.5	5.75	0	1.125	0.089400925	0.38206279	0.023469388	0.18126273	1.1877036	1.5737039	1.0598711	1.4243778	1.0759208	1.5220444	1.2929488	1.7264435	1.5141792	1.9522493	1.8226515	2.0656197	1.5276124	1.4143913	1.2021793	0.87220198	0.81477576	0.82517463	2.2796693	1.4859238	3.7727251	1.9891523	4.1858115	2.1276457	4.3511286	2.2550154	4.5800614	2.5771585	5.3393946	4.1975379	0	4.9030237	1.4401109	1.2657572	407.4339	318.58398	586.75	403.25	831.625	843.25	411	543	177.75	298.5	66.125	128.25	24.25	53.25	5.75	22.25	0.5	5.75	0	1.125	600.875	517.625	136.375	138	4	33.75	0	7.75	0	2.125	0	0.125	0	0	0	0	282.336	160.16899	627	204	48	8	122	42
Artemisinin	Propionic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)CC	3.8050928	1.8531889	-88182.25	-25567.391	-667016.75	-79783.758	-154.65057	-109.01485	-10.56012	-11.46923	10.56012	11.46923	0.87564999	1.0276999	45.079445	10.884758	456.67719	231.95219	0	0	0	0	456.67719	231.95219	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	0	0	0	42	11	0	2	4	4	20	5	12	2	58.156837	15.789085	1.3846866	1.4353714	0	0	0	0	15	3	0	0	0	0	22	6	0	0	0	0	5	2	0	0	0	0	1.8182865	2.6693285	-2.8763011	-2.3495605	-0.46847317	-0.33723	0.48142555	0.31112719	2.9546874	2.3916647	-2.9138391	-2.3181624	-0.40296918	-0.2794365	0.52481794	0.30330601	2.9398463	2.4544773	-2.6583734	-2.1368117	-0.33618459	-0.16777936	0.60764611	0.42393002	3.1623287	2.607275	30.756554	7.517242	0	1	0	0.25	0	0	45	10	1	1	23	4	3	3	0	1	0	0.25	44	9	0	0	0	0	0	0	14.120955	4.2844572	12.25642	3.0625687	10.215178	2.2071068	10.292529	2.284457	9.4617796	2.2700555	7.713058	1.4883912	6.0543661	1.0606601	6.0990243	1.115355	7	0	7	0	0	0	0	0	1.0725014	0.98936892	0.76930565	0.76461029	7	3	0	0	0	0	0	0	0	0	67.720932	-11.13887	15.392588	2.0012672	-3.2059937	-20.020538	10.423069	-19.690332	0.004222634	6.14E-05	0	0	2.59E+12	29438434	-9.7782021	-3.3315966	2.59E+12	29438438	-3.9392874	-8.6559486	0	0	8.5961571	0.93021905	13.212008	4.5254283	33.304897	5.619915	13.629063	0.33020559	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.73384768	-0.38651478	-0.36203444	-0.01928976	0.019231545	3.1303203	1.7418233	-0.89714968	-0.87241584	-0.31035468	-0.26847681	-0.002505066	0.01285101	3.1423492	1.7760719	-0.53425395	-0.50876606	-0.21040775	-0.17559813	0.10722204	0.120438	3.3267074	1.9419647	0.21797732	0.22438827	6.1551886	2.2736804	6.7819748	4.615222	6.7819748	1.8110875	0.72404015	-0.11269251	0.72404015	-0.046348535	-2.328289	-0.079685599	0	0	0.95388722	0.95450151	7.165029	1.8515122	0	-0.98985577	14	5.0106473	14	14	1	1.0582994	0	2.7369025	13.648394	5	4.2631578	2.25	1.6952908	4	13.022482	4.0214376	4.0571489	1.6858125	1.6103241	2.67325	2.6417074	1.3558779	5	2	0	1	1	1	0	0	3.582	0.396	-3.4716799	0.20449001	3.2725534	1.7067287	-88505.227	-25695.012	-655666.63	-79641.359	-124.02571	-106.30974	-10.87649	-11.49759	10.87649	11.49759	0.70187002	0.89793998	7.0486565	1.8725882	0	0	1	1	0.54197603	0.36528856	0.76507992	0.80581939	19	0	1	1	4	0	1	1	0	0	0	0	0	0	1.578668	0.65272015	-1.578668	-0.65272015	0.169572	0.39729658	0.19891214	0.50752872	98.274422	30.028244	4.2653861	0	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	0	37.495354	18.747677	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.51265877	0.47116494	0.42128286	0.10538135	0.22423561	0.21551585	0.48734123	0.52883506	0.57871711	0.1101345	0.26310563	192.12025	48.775921	115.38834	40.082138	25.807903	21.334461	52.779854	46.367134	129.51176	55.060917	26.971952	25.032671	0.42857143	0.33333334	0.75	0.5	3.6450274	1.8201365	-82636.43	-23899.525	-653627.19	-78010.656	-158.23212	-106.35299	-10.78035	-11.33519	10.78035	11.33519	-0.15042999	0.95297003	2210.6523	174.6833	1038.6576	58.780872	1466.22	129.66945	1916.4272	160.91628	1121.4878	63.688419	776.37323	45.671169	312.79126	65.323708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	95.143051	0	0	0	0	0	0	244.9001	95.143051	0	0	4	2	1	0	2.7981894	1.5356001	4	0	0	0	0	0	0.1	0	2.3949001	0.48100001	0	0	7.7454643	7.7454643	81.819725	23.862217	0	25.385227	17.643185	0	0	0	0	0	0	0	75.473625	18.868406	99.978043	33.326015	6.8046999	1.79268	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	0	0	0	75.473625	18.868406	7.7454643	7.7454643	99.978043	33.326015	2.4099162	1.4929206	1.8617485	0.82531875	1.1251426	0.70719111	53.990002	37.299999	0.51481563	0.90438145	5.523562	3	2.5399911	1.5219281	8.4195395	4.1971598	244.9001	95.143051	367.00107	96.884651	263.25	74.875	281.14902	101.35618	30.537619	0	0	0	0	0	0	0	160.29349	45.216946	33.029301	14.708499	30.537619	27.133842	5.3953252	3.2343917	0.23970899	0.13249059	2.6517773	3.1218104	1.7756623	2.07986	0.80558389	1.2854198	0.39811906	0.70607042	0.18423676	0.35506019	0.050205711	0.11901175	0.004379716	0.007444948	0	0	578.125	209.125	340.375	121.375	271.25	100.375	245	87.5	218.5	69.75	157.125	36.5	79.625	10.5	31.75	1.5	7.228416	0.5	7.1763501	0.70710677	0.5	0.86602539	0.70710677	0.70710677	0.70710677	1.118034	0.70710677	0.5	-2.2570698	-1.7253104	-2.2559736	-1.7172896	-2.2545061	-1.7169501	-5.4111814	-5.2105527	-5.3114209	-5.1839557	-5.095974	-5.1043296	1.2020918	1.127503	230.75	197.5	274.625	227.625	173.75	130.375	66.125	53.625	24.25	23	5.75	6	0.5	0.5	0	0	0.089400925	0.23412204	0.023469388	0.068571426	1.1877036	1.0519073	1.0598711	1.1448145	1.0759208	1.5176041	1.2929488	1.7823143	1.5141792	1.9132771	1.8226515	0.97820091	1.5276124	0.91399163	1.2021793	3.2711668	0.81477576	0.66230398	2.2796693	1.4049137	3.7727251	1.6305755	4.1858115	1.7258947	4.3511286	1.7396208	4.5800614	2.1241941	5.3393946	3.8848572	0	0	1.4401109	1.1183574	407.4339	202.75272	586.75	226.75	831.625	487.125	411	282.875	177.75	143.875	66.125	56.625	24.25	23.5	5.75	6	0.5	0.5	0	0	600.875	289.625	136.375	55.25	4	13.5	0	3	0	0.5	0	0	0	0	0	0	282.336	74.078995	627	18	48	2	122	16
Artemisinin	Pyrazine-2-carboxylic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1nccnc1	3.8050928	2.0988913	-88182.25	-40344.207	-667016.75	-155990.17	-154.65057	-40.420528	-10.56012	-10.68805	10.56012	10.68805	0.87564999	-1.17023	45.079445	15.271172	456.67719	276.95578	0	0	0	0	456.67719	276.95578	0	0	0	0	0	0	1	1	1	1	4	4	0	0	0	6	0	0	42	13	0	2	4	6	20	9	12	4	58.156837	24.496077	1.3846866	1.8843136	0	0	0	0	15	5	0	0	0	0	22	4	0	0	0	2	5	2	0	0	0	0	1.8182865	2.2906082	-2.8763011	-2.0402689	-0.46847317	-0.61000419	0.48142555	0.71371728	2.9546874	2.1181526	-2.9138391	-2.1101241	-0.40296918	-0.55101347	0.52481794	0.73905945	2.9398463	2.0740614	-2.6583734	-1.7644296	-0.33618459	-0.45043477	0.60764611	0.82466894	3.1623287	2.3728392	30.756554	7.9708281	0	1	0	0.11111111	0	6	45	13	1	1	23	9	3	1	0	1	0	0.11111111	44	6	0	0	0	0	0	0	14.120955	6.6902347	12.25642	4.4819398	10.215178	2.7320509	10.292529	3.2760208	9.4617796	4.3045306	7.713058	2.2979429	6.0543661	0.87200844	6.0990243	1.2415817	7	0	7	0	0	0	0	0	1.0725014	1.1490648	0.76930565	0.85674715	7	5	0	0	0	0	0	0	0	0	67.720932	56.823799	15.392588	2.472296	-3.2059937	34.371948	10.423069	40.003777	0.004222634	-2.42E-14	0	0	2.59E+12	6.67E+11	-9.7782021	-2.2102683	2.59E+12	6.67E+11	-3.9392874	-17.17985	0	0	8.5961571	6.171875	13.212008	11.40138	33.304897	8.1758537	13.629063	5.6318259	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.73037618	-0.38651478	-0.48772186	-0.01928976	0.16730216	3.1303203	1.8158604	-0.89714968	-0.85560018	-0.31035468	-0.41777161	-0.002505066	0.20590104	3.1423492	1.8029237	-0.53425395	-0.40404394	-0.21040775	-0.23748967	0.10722204	0.26189652	3.3267074	2.075356	0.21797732	0	6.1551886	5.7778649	6.7819748	5.237504	6.7819748	2.2168343	0.72404015	-0.15404357	0.72404015	0.22170009	-2.328289	-1.0277227	0	0	0.95388722	4.2113557	7.165029	3.1821232	0	-0.9994961	14	3.7025692	14	14	1	1.0045544	0	4.6063318	13.648394	7.1111112	4.2631578	3.2396693	1.6952908	2	13.022482	4.5283842	4.0571489	1.9279529	1.6103241	1.112716	2.6417074	0.97005677	5	4	0	1	1	1	0	0	3.582	-0.72547001	-3.4716799	1.0090801	3.2725534	2.1003361	-88505.227	-40452.547	-655666.63	-156074.36	-124.02571	-49.176941	-10.87649	-10.43607	10.87649	10.43607	0.70187002	-1.15482	7.0486565	3.1185336	0	0	1	1	0.54197603	0.23771255	0.76507992	0.76228744	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.0900003	-1.578668	-1.0900003	0.169572	0.28548527	0.19891214	0.29936427	98.274422	33.491833	4.2653861	29.542074	0	0	0	6.6995511	12.263453	10.324173	14.708499	0	0	14.708499	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	5.6825762	16.070677	19.249496	2.503756	7.7675405	0.78448415	0.54707605	0.47116494	0.25653648	0.10538135	0.25653648	0.21551585	0.45292392	0.52883506	0.74346352	0.1101345	0.19638745	192.12025	69.733452	115.38834	32.699612	25.807903	32.699612	52.779854	57.732285	129.51176	94.766129	26.971952	25.032671	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.0606897	-82636.43	-36100.695	-653627.19	-150178.44	-158.23212	-47.54211	-10.78035	-10.47204	10.78035	10.47204	-0.15042999	-1.22426	2210.6523	531.73407	1038.6576	126.39986	1466.22	405.3342	1916.4272	531.73407	1121.4878	199.72884	776.37323	332.00525	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	127.46574	0	0	0	0	0	0	244.9001	127.46574	0	0	4	3	1	0	2.7981894	2.0699656	4	1	0	0	0	0	0.1	0.33333334	2.3949001	0.17479999	0	0	7.7454643	41.316525	81.819725	0	0	25.385227	17.643185	26.618963	0	0	0	0	0	51.64307	75.473625	0	99.978043	0	6.8046999	2.8991301	73.293228	23.862217	0	33.57106	17.643185	25.385227	8.5265026	2.7567475	0	0	75.473625	51.64307	7.7454643	7.7454643	99.978043	0	2.4099162	2.0640135	1.8617485	1.2074102	1.1251426	0	53.990002	63.080002	0.51481563	0.7642045	5.523562	4.1699252	2.5399911	2.1498685	8.4195395	6.0047355	244.9001	127.46574	367.00107	144.84903	263.25	108	281.14902	131.81161	30.537619	11.365152	0	0	0	0	0	0	160.29349	67.598068	33.029301	14.708499	30.537619	38.498993	5.3953252	1.9162284	0.23970899	0.077265881	2.6517773	3.2207096	1.7756623	2.7134511	0.80558389	1.8781011	0.39811906	1.0105826	0.18423676	0.54196292	0.050205711	0.25195679	0.004379716	0.10107654	0	0.056956496	578.125	320.375	340.375	180	271.25	127.625	245	107.5	218.5	92	157.125	73.5	79.625	46.125	31.75	28.375	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.2297592	-2.2559736	-2.1829157	-2.2545061	-2.1724632	-5.4111814	-8.6320133	-5.3114209	-8.4668779	-5.095974	-8.2593575	1.2020918	1.1549281	230.75	261.5	274.625	326.5	173.75	247.75	66.125	106.5	24.25	48.5	5.75	20.875	0.5	8	0	3.875	0.089400925	0.38883448	0.023469388	0.19534884	1.1877036	1.1093574	1.0598711	1.0611935	1.0759208	1.241124	1.2929488	1.4798428	1.5141792	1.6356307	1.8226515	1.5625303	1.5276124	0.86462152	1.2021793	0.63631535	0.81477576	0.40262401	2.2796693	0.81892133	3.7727251	0.99190336	4.1858115	0.9245795	4.3511286	0.93781549	4.5800614	2.1946373	5.3393946	3.7188118	0	3.8683825	1.4401109	1.189694	407.4339	246.59702	586.75	293.375	831.625	742.875	411	478.75	177.75	265.25	66.125	110.25	24.25	49.625	5.75	21	0.5	8	0	3.875	600.875	481.375	136.375	152.25	4	17.5	0	3.75	0	1.125	0	0.125	0	0	0	0	282.336	124.099	627	88	48	9	122	40
Artemisinin	Indomethacin	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Clc1ccc(C(=O)n2c(C)c(CC(=O)O)c3c2ccc(OC)c3)cc1	3.8050928	3.326875	-88182.25	-104096.48	-667016.75	-724362.94	-154.65057	-86.703789	-10.56012	-8.6513004	10.56012	8.6513004	0.87564999	-0.87204999	45.079445	50.596687	456.67719	584.83423	0	0	0	0	456.67719	584.83423	0	0	0	0	0	0	1	3	1	4	4	4	0	0	0	15	0	0	42	41	0	2	4	6	20	25	12	18	58.156837	66.949013	1.3846866	1.6329026	0	0	0	0	15	19	0	1	0	0	22	16	0	0	0	1	5	4	0	0	0	0	1.8182865	1.7641709	-2.8763011	-2.2999675	-0.46847317	-0.58252817	0.48142555	0.52326465	2.9546874	2.4086096	-2.9138391	-2.3327489	-0.40296918	-0.5117023	0.52481794	0.73138279	2.9398463	2.4775817	-2.6583734	-2.0439348	-0.33618459	-0.34700221	0.60764611	0.80520219	3.1623287	2.7026448	30.756554	23.723312	0	5	0	0.18518518	0	16	45	43	1	2	23	27	3	2	0	5	0	0.18518518	44	25	0	0	0	0	0	0	14.120955	18.137465	12.25642	14.501624	10.215178	11.248559	10.292529	12.853006	9.4617796	11.917923	7.713058	7.9985023	6.0543661	5.5165076	6.0990243	7.4931664	7	0	7	0	0	0	0	0	1.0725014	1.1128864	0.76930565	0.79430062	7	12	0	0	0	0	0	0	0	0	67.720932	84.224701	15.392588	44.877377	-3.2059937	-0.4362883	10.423069	10.318436	0.004222634	0.001653049	0	0	2.59E+12	1.34E+08	-9.7782021	-3.9071481	2.59E+12	1.34E+08	-3.9392874	-19.480558	0	0	8.5961571	11.874786	13.212008	24.331238	33.304897	17.152449	13.629063	10.754724	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.80848604	-0.38651478	-0.43479782	-0.01928976	0.057437699	3.1303203	2.6132295	-0.89714968	-0.89829993	-0.31035468	-0.33647203	-0.002505066	0.14762172	3.1423492	2.7169464	-0.53425395	-0.48363942	-0.21040775	-0.20941971	0.10722204	0.20714541	3.3267074	2.9171443	0.21797732	0.16908388	6.1551886	5.2361569	6.7819748	8.8532238	6.7819748	5.9992685	0.72404015	4.4329481	0.72404015	4.5640535	-2.328289	-5.4424944	0	0	0.95388722	10.154632	7.165029	9.5856047	0	-0.99436605	14	4.7532668	14	14	1	1.0354084	0	3.0875039	13.648394	19.753086	4.2631578	8.3471403	1.6952908	4.1352797	13.022482	14.996656	4.0571489	6.2590914	1.6103241	3.0720692	2.6417074	3.7546179	5	5	0	1	1	1	0	0	3.582	4.3730001	-3.4716799	-4.8529301	3.2725534	2.6766078	-88505.227	-103888.8	-655666.63	-719821.81	-124.02571	-102.19534	-10.87649	-8.54037	10.87649	8.54037	0.70187002	-1.16082	7.0486565	9.6372404	0	0	1	1	0.54197603	0.39477712	0.76507992	0.81443447	19	16	1	1	4	3	1	5	0	0	0	0	0	0	1.578668	1.8747717	-1.578668	-1.8747717	0.169572	0.14082786	0.19891214	0.18556502	98.274422	61.960964	4.2653861	66.513245	0	0	0	0	12.263453	10.324173	14.708499	27.65803	0	0	44.851616	106.74055	37.495354	29.581947	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	10.271297	0.78448415	0.77839249	0.47116494	0.51068717	0.10538135	0.10995559	0.21551585	0.22160752	0.52883506	0.48931283	0.1101345	0.11165193	192.12025	264.79669	115.38834	173.72763	25.807903	37.40514	52.779854	75.387344	129.51176	166.45641	26.971952	37.982204	0.42857143	0.5	0.75	1	3.6450274	2.9031916	-82636.43	-95723.164	-653627.19	-713288.5	-158.23212	-110.40083	-10.78035	-8.5935001	10.78035	8.5935001	-0.15042999	-0.92352998	2210.6523	5529.6006	1038.6576	1976.2344	1466.22	4077.0178	1916.4272	5005.9497	1121.4878	1452.6461	776.37323	3397.7163	312.79126	679.2384	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	340.18405	0	0	0	0	0	0	244.9001	340.18405	0	0	4	6	1	0	2.7981894	3.9312527	4	3	0	0	0	0	0.1	0.75999999	2.3949001	3.92729	0	10.999887	7.7454643	14.90334	81.819725	23.862217	0	25.385227	17.643185	32.990112	0	54.252274	0	3.5006065	0	128.21939	75.473625	0	99.978043	77.718086	6.8046999	9.5747299	73.293228	47.724434	0	12.898981	17.643185	25.385227	8.5265026	17.871933	0	4.7171016	75.473625	142.3707	7.7454643	13.004248	99.978043	107.85853	2.4099162	2.899081	1.8617485	2.4714913	1.1251426	1.1920966	53.990002	68.529999	0.51481563	0.42433795	5.523562	5.7548876	2.5399911	3.2664471	8.4195395	9.0199146	244.9001	340.18405	367.00107	450.45035	263.25	321.5	281.14902	356.23563	30.537619	16.070677	0	0	0	0	0	0	160.29349	254.11977	33.029301	27.65803	30.537619	43.204517	5.3953252	4.4580908	0.23970899	0.20440799	2.6517773	2.6311908	1.7756623	2.0431135	0.80558389	1.1597047	0.39811906	0.47009596	0.18423676	0.20820615	0.050205711	0.071714222	0.004379716	0.006934302	0	0	578.125	859.625	340.375	521.875	271.25	392.875	245	332.5	218.5	286.25	157.125	232.375	79.625	149.5	31.75	89.625	7.228416	0.5	7.1763501	0.5	0.5	1	0.70710677	5.8523498	0.70710677	5.5226803	0.70710677	0.5	-2.2570698	-3.1331143	-2.2559736	-3.0882459	-2.2545061	-3.0460954	-5.4111814	-5.3014808	-5.3114209	-5.2416139	-5.095974	-5.2401133	1.2020918	1.3118452	230.75	290.75	274.625	373.125	173.75	261.875	66.125	96.75	24.25	34.625	5.75	10.5	0.5	1.5	0	0	0.089400925	0.090995863	0.023469388	0.031954888	1.1877036	1.1128654	1.0598711	1.0083268	1.0759208	1.1655575	1.2929488	1.3531487	1.5141792	1.5535359	1.8226515	1.6472132	1.5276124	0.95626724	1.2021793	0.91850591	0.81477576	0.37464035	2.2796693	1.4263322	3.7727251	2.361825	4.1858115	3.1529281	4.3511286	3.4126577	4.5800614	3.7264984	5.3393946	5.8633523	0	0	1.4401109	1.4432769	407.4339	531.86261	586.75	767.625	831.625	1226	411	689.5	177.75	314.5	66.125	100.75	24.25	35.75	5.75	10.625	0.5	1.5	0	0	600.875	935.25	136.375	316.375	4	52.625	0	4	0	1.125	0	0.125	0	0	0	0	282.336	357.793	627	1424	48	42	122	132
Artemisinin	2-nitrobenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=[N+]([O-])c1c(C(=O)O)cccc1	3.8050928	6.3540125	-88182.25	-56506.293	-667016.75	-253935.31	-154.65057	-56.293678	-10.56012	-10.89665	10.56012	10.89665	0.87564999	-1.31308	45.079445	19.961966	456.67719	315.18402	0	0	0	0	456.67719	315.18402	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	17	0	2	4	4	20	12	12	7	58.156837	30.225744	1.3846866	1.7779849	0	0	0	0	15	7	0	0	0	0	22	5	0	0	0	1	5	4	0	0	0	0	1.8182865	2.5854459	-2.8763011	-2.1301708	-0.46847317	-0.58933073	0.48142555	0.65857124	2.9546874	2.2703171	-2.9138391	-2.1223109	-0.40296918	-0.50704771	0.52481794	0.7210108	2.9398463	2.3255181	-2.6583734	-1.8805166	-0.33618459	-0.43030608	0.60764611	0.7895571	3.1623287	2.5042048	30.756554	7.6800351	0	2	0	0.16666667	0	6	45	17	1	2	23	12	3	1	0	2	0	0.16666667	44	9	0	0	0	0	0	0	14.120955	9.1378279	12.25642	5.9285731	10.215178	3.809401	10.292529	4.5604777	9.4617796	5.6258979	7.713058	3.0938363	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.2310865	0.76930565	0.89415747	7	5	0	0	0	0	0	0	0	0	67.720932	20.702192	15.392588	7.2294078	-3.2059937	-14.847375	10.423069	-1.4736782	0.004222634	0.000189208	0	0	2.59E+12	1.69E+12	-9.7782021	-4.4527168	2.59E+12	1.69E+12	-3.9392874	-14.593345	0	0	8.5961571	3.2006845	13.212008	18.743385	33.304897	11.745589	13.629063	13.373696	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.72897232	-0.38651478	-0.46389544	-0.01928976	0.12072768	3.1303203	2.0788631	-0.89714968	-0.85474324	-0.31035468	-0.31031492	-0.002505066	0.18724751	3.1423492	2.1476982	-0.53425395	-0.49113667	-0.21040775	-0.21994182	0.10722204	0.23353656	3.3267074	2.3203974	0.21797732	0.030673778	6.1551886	5.0317793	6.7819748	5.4978933	6.7819748	2.5286608	0.72404015	1.2734691	0.72404015	1.5423065	-2.328289	-2.0915129	0	0	0.95388722	5.4038501	7.165029	4.1094437	0	-0.99922603	14	3.8890491	14	14	1	1.0063382	0	4.2709265	13.648394	10.083333	4.2631578	4.296875	1.6952908	2.4930749	13.022482	6.7430162	4.0571489	2.7548637	1.6103241	1.5457405	2.6417074	1.5480075	5	5	0	1	1	1	0	0	3.582	1.516	-3.4716799	-2.14451	3.2725534	5.8332024	-88505.227	-56673.402	-655666.63	-252318.98	-124.02571	-48.662449	-10.87649	-10.63893	10.87649	10.63893	0.70187002	-1.2446899	7.0486565	3.9593544	0	1	1	1	0.54197603	0.50363976	0.76507992	0.56691289	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.2613411	-1.578668	-1.2613411	0.169572	0.23611037	0.19891214	0.25950474	98.274422	12.254904	4.2653861	21.089579	0	2.2085397	0	0	12.263453	10.324173	14.708499	21.408051	0	0	44.851616	12.254904	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	47.497971	2.503756	7.7675405	0.78448415	0.4539279	0.47116494	0.57766032	0.10538135	0.34689355	0.21551585	0.54607213	0.52883506	0.42233968	0.1101345	0.19917855	192.12025	72.317734	115.38834	92.03022	25.807903	55.265511	52.779854	86.997734	129.51176	67.285248	26.971952	31.732224	0.42857143	0.40000001	0.75	0.66666669	3.6450274	6.0714993	-82636.43	-51663.715	-653627.19	-246172.5	-158.23212	-68.8899	-10.78035	-10.9046	10.78035	10.9046	-0.15042999	-1.28169	2210.6523	852.42932	1038.6576	414.6886	1466.22	466.78662	1916.4272	823.38336	1121.4878	384.44003	776.37323	436.20477	312.79126	31.784515	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	159.31546	0	0	0	0	0	0	244.9001	159.31546	0	0	4	3	1	1	2.7981894	2.2584734	4	1	0	0	0	0	0.1	0	2.3949001	1.293	0	0	7.7454643	14.83108	81.819725	0	0	76.320236	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	4.0055699	73.293228	30.947832	0	0	17.643185	76.320236	8.5265026	3.185575	0	2.7567475	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	1.9347379	1.8617485	1.6330873	1.1251426	0.33884865	53.990002	83.120003	0.51481563	0.65002245	5.523562	4.5849624	2.5399911	2.2819316	8.4195395	6.8899331	244.9001	159.31546	367.00107	186.90221	263.25	135.75	281.14902	162.56578	30.537619	0	0	0	0	0	0	0	160.29349	76.170105	33.029301	48.639549	30.537619	27.133842	5.3953252	4.733634	0.23970899	0.14361867	2.6517773	2.9683447	1.7756623	2.4274874	0.80558389	1.6398383	0.39811906	0.84196991	0.18423676	0.32915705	0.050205711	0.073528334	0.004379716	0.003252617	0	0	578.125	418.5	340.375	226.25	271.25	163.375	245	132.375	218.5	111.625	157.125	85.75	79.625	47.625	31.75	24.125	7.228416	7.0887237	7.1763501	6.8738637	0.5	0.70710677	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-2.2728889	-2.2559736	-2.2499936	-2.2545061	-2.2314031	-5.4111814	-5.4909844	-5.3114209	-5.2129159	-5.095974	-4.9392242	1.2020918	1.1661441	230.75	191.625	274.625	283	173.75	231.875	66.125	91.5	24.25	28.25	5.75	7	0.5	0.25	0	0	0.089400925	0.17750573	0.023469388	0.052880075	1.1877036	1.4815019	1.0598711	1.5059248	1.0759208	1.6592076	1.2929488	2.1005094	1.5141792	2.3891401	1.8226515	2.4459577	1.5276124	1.637305	1.2021793	0.90588033	0.81477576	0.45692596	2.2796693	1.4336166	3.7727251	2.0111544	4.1858115	2.5311062	4.3511286	3.0805688	4.5800614	4.1225567	5.3393946	4.9418616	0	0	1.4401109	1.2744392	407.4339	291.3046	586.75	371.25	831.625	769.375	411	482.625	177.75	260	66.125	95.375	24.25	29	5.75	7	0.5	0.25	0	0	600.875	577.75	136.375	199.625	4	28.125	0	3.875	0	0.75	0	0	0	0	0	0	282.336	167.12	627	188	48	16	122	56
Artemisinin	3-nitrobenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=[N+]([O-])c1cc(C(=O)O)ccc1	3.8050928	3.3179007	-88182.25	-56512.535	-667016.75	-246337.03	-154.65057	-62.5326	-10.56012	-10.97054	10.56012	10.97054	0.87564999	-1.46244	45.079445	19.961966	456.67719	319.88965	0	0	0	0	456.67719	319.88965	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	17	0	2	4	4	20	12	12	7	58.156837	30.225744	1.3846866	1.7779849	0	0	0	0	15	7	0	0	0	0	22	5	0	0	0	1	5	4	0	0	0	0	1.8182865	2.4419808	-2.8763011	-2.1325345	-0.46847317	-0.60297489	0.48142555	0.66774911	2.9546874	2.246711	-2.9138391	-2.1157587	-0.40296918	-0.52026588	0.52481794	0.73094034	2.9398463	2.3240469	-2.6583734	-1.8773893	-0.33618459	-0.44095275	0.60764611	0.80073094	3.1623287	2.4975996	30.756554	7.6800351	0	2	0	0.16666667	0	6	45	17	1	2	23	12	3	1	0	2	0	0.16666667	44	9	0	0	0	0	0	0	14.120955	9.1378279	12.25642	5.9285731	10.215178	3.809401	10.292529	4.5604777	9.4617796	5.6090608	7.713058	3.0878534	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.2276951	0.76930565	0.89415747	7	6	0	0	0	0	0	0	0	0	67.720932	30.820707	15.392588	7.124001	-3.2059937	2.9053838	10.423069	12.996028	0.004222634	-1.11E-14	0	0	2.59E+12	5.45E+11	-9.7782021	-3.4078498	2.59E+12	5.45E+11	-3.9392874	-12.262068	0	0	8.5961571	3.0656977	13.212008	13.737476	33.304897	7.6349802	13.629063	10.090644	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.71262687	-0.38651478	-0.46935239	-0.01928976	0.14153688	3.1303203	2.0649443	-0.89714968	-0.85437024	-0.31035468	-0.35036027	-0.002505066	0.19577299	3.1423492	2.1428103	-0.53425395	-0.49121353	-0.21040775	-0.22698547	0.10722204	0.23925696	3.3267074	2.3130014	0.21797732	0	6.1551886	5.1219287	6.7819748	5.8744531	6.7819748	2.9842839	0.72404015	1.1375784	0.72404015	1.4041466	-2.328289	-2.000941	0	0	0.95388722	5.3978744	7.165029	4.1086416	0	-0.99786597	14	4.3301258	14	14	1	1.0153724	0	3.6662633	13.648394	10.083333	4.2631578	4.296875	1.6952908	2.7777777	13.022482	6.7430162	4.0571489	2.7548637	1.6103241	1.7222602	2.6417074	1.5480075	5	5	0	1	1	1	0	0	3.582	1.5549999	-3.4716799	-2.14451	3.2725534	4.4463406	-88505.227	-56674.18	-655666.63	-244828.23	-124.02571	-49.441441	-10.87649	-10.68432	10.87649	10.68432	0.70187002	-1.50894	7.0486565	3.955616	0	1	1	1	0.54197603	0.24543263	0.76507992	0.75456738	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.2066463	-1.578668	-1.2066463	0.169572	0.2415372	0.19891214	0.27140298	98.274422	24.509808	4.2653861	23.298119	0	0	0	0	12.263453	10.324173	14.708499	21.408051	0	0	44.851616	12.254904	37.495354	12.254904	0	0	7.2334704	0	7.2334704	0	16.070677	47.497971	2.503756	7.7675405	0.78448415	0.4539279	0.47116494	0.50073808	0.10538135	0.34689355	0.21551585	0.54607213	0.52883506	0.49926195	0.1101345	0.19917855	192.12025	72.317734	115.38834	79.775314	25.807903	55.265511	52.779854	86.997734	129.51176	79.540146	26.971952	31.732224	0.42857143	0.5	0.75	1	3.6450274	3.3706806	-82636.43	-51668.234	-653627.19	-239102.72	-158.23212	-73.060822	-10.78035	-10.94373	10.78035	10.94373	-0.15042999	-1.4852	2210.6523	1093.5754	1038.6576	268.39908	1466.22	825.17633	1916.4272	1093.5754	1121.4878	271.76022	776.37323	821.81525	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	159.31546	0	0	0	0	0	0	244.9001	159.31546	0	0	4	3	1	1	2.7981894	2.5580566	4	1	0	0	0	0	0.1	0.75	2.3949001	1.293	0	0	7.7454643	14.83108	81.819725	0	0	76.320236	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	4.0055699	73.293228	30.947832	0	0	17.643185	76.320236	8.5265026	3.185575	0	2.7567475	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	2.1152375	1.8617485	1.5793339	1.1251426	0	53.990002	83.120003	0.51481563	0.65002245	5.523562	4.5849624	2.5399911	2.4735358	8.4195395	6.8644905	244.9001	159.31546	367.00107	186.90221	263.25	136.125	281.14902	163.06297	30.537619	0	0	0	0	0	0	0	160.29349	76.170105	33.029301	48.639549	30.537619	27.133842	5.3953252	3.2753377	0.23970899	0.15226351	2.6517773	3.0238528	1.7756623	2.639766	0.80558389	1.9439275	0.39811906	0.7341072	0.18423676	0.31604984	0.050205711	0.10906146	0.004379716	0.020932784	0	0	578.125	460.25	340.375	262.625	271.25	185	245	146.25	218.5	118.5	157.125	93.625	79.625	66.875	31.75	44.75	7.228416	0.5	7.1763501	0.70710677	0.5	0.5	0.70710677	0.5	0.70710677	1	0.70710677	0.5	-2.2570698	-2.3460646	-2.2559736	-2.3408315	-2.2545061	-2.3273988	-5.4111814	-5.8162389	-5.3114209	-5.7057824	-5.095974	-5.6180167	1.2020918	1.1805353	230.75	219	274.625	314.375	173.75	246.375	66.125	82.875	24.25	28.75	5.75	10	0.5	1.875	0	0	0.089400925	0.15945946	0.023469388	0.068376072	1.1877036	0.70992792	1.0598711	0.65453178	1.0759208	0.68254882	1.2929488	0.78135705	1.5141792	0.88077247	1.8226515	0.78107303	1.5276124	0.51429343	1.2021793	0.61047041	0.81477576	0.27809304	2.2796693	0.56661576	3.7727251	0.93701535	4.1858115	1.9095407	4.3511286	2.6019382	4.5800614	3.4157531	5.3393946	3.7768512	0	0	1.4401109	1.2615823	407.4339	296.15588	586.75	373.625	831.625	822.75	411	529.125	177.75	276.5	66.125	86.75	24.25	29.5	5.75	10	0.5	1.875	0	0	600.875	603.75	136.375	214.75	4	30.125	0	3.875	0	0.75	0	0	0	0	0	0	282.336	167.12	627	197	48	15	122	56
Artemisinin	4-nitrobenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=[N+]([O-])c1ccc(C(=O)O)cc1	3.8050928	3.4239056	-88182.25	-56511.996	-667016.75	-244269.45	-154.65057	-61.994289	-10.56012	-10.89753	10.56012	10.89753	0.87564999	-1.73095	45.079445	19.961966	456.67719	321.18588	0	0	0	0	456.67719	321.18588	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	17	0	2	4	4	20	12	12	7	58.156837	30.225744	1.3846866	1.7779849	0	0	0	0	15	7	0	0	0	0	22	5	0	0	0	1	5	4	0	0	0	0	1.8182865	2.3313606	-2.8763011	-2.1332881	-0.46847317	-0.61680239	0.48142555	0.68517178	2.9546874	2.2399044	-2.9138391	-2.1139612	-0.40296918	-0.52472401	0.52481794	0.75765908	2.9398463	2.3236077	-2.6583734	-1.8764277	-0.33618459	-0.4641057	0.60764611	0.82216877	3.1623287	2.4956498	30.756554	7.6800351	0	2	0	0.16666667	0	6	45	17	1	2	23	12	3	1	0	2	0	0.16666667	44	9	0	0	0	0	0	0	14.120955	9.1378279	12.25642	5.9285731	10.215178	3.809401	10.292529	4.5604777	9.4617796	5.6090608	7.713058	3.0878534	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.2154181	0.76930565	0.89415747	7	7	0	0	0	0	0	0	0	0	67.720932	36.625065	15.392588	7.1043973	-3.2059937	9.0390482	10.423069	19.180468	0.004222634	-2.77E-14	0	0	2.59E+12	1.97E+12	-9.7782021	-4.0104113	2.59E+12	1.97E+12	-3.9392874	-12.274323	0	0	8.5961571	3.1228781	13.212008	13.744118	33.304897	7.2173209	13.629063	10.14142	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.69639415	-0.38651478	-0.46420157	-0.01928976	0.13456658	3.1303203	2.0592437	-0.89714968	-0.85413015	-0.31035468	-0.32735738	-0.002505066	0.19468829	3.1423492	2.1402073	-0.53425395	-0.49112451	-0.21040775	-0.23003867	0.10722204	0.24034032	3.3267074	2.3093266	0.21797732	0	6.1551886	5.1395617	6.7819748	5.9470911	6.7819748	3.0759397	0.72404015	1.1095557	0.72404015	1.3800148	-2.328289	-1.9843236	0	0	0.95388722	5.401701	7.165029	4.1091552	0	-0.99738365	14	4.4188299	14	14	1	1.0183356	0	3.5447857	13.648394	10.083333	4.2631578	4.296875	1.6952908	2.7777777	13.022482	6.7430162	4.0571489	2.7548637	1.6103241	1.7222602	2.6417074	1.5480075	5	5	0	1	1	1	0	0	3.582	1.518	-3.4716799	-2.14451	3.2725534	3.910464	-88505.227	-56675.496	-655666.63	-242876.14	-124.02571	-50.748821	-10.87649	-10.61972	10.87649	10.61972	0.70187002	-1.43768	7.0486565	3.955616	0	1	1	1	0.54197603	0.13843702	0.76507992	0.86156297	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.1885309	-1.578668	-1.1885309	0.169572	0.24504295	0.19891214	0.27554139	98.274422	26.718348	4.2653861	21.089579	0	0	0	0	12.263453	10.324173	14.708499	21.408051	0	0	44.851616	24.509808	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	47.497971	2.503756	7.7675405	0.78448415	0.4539279	0.47116494	0.50073808	0.10538135	0.34689355	0.21551585	0.54607213	0.52883506	0.49926195	0.1101345	0.19917855	192.12025	72.317734	115.38834	79.775314	25.807903	55.265511	52.779854	86.997734	129.51176	79.540146	26.971952	31.732224	0.42857143	0.42857143	0.75	0.75	3.6450274	3.7504435	-82636.43	-51667.707	-653627.19	-236947.09	-158.23212	-72.882149	-10.78035	-10.89008	10.78035	10.89008	-0.15042999	-1.69427	2210.6523	1226.1533	1038.6576	169.74501	1466.22	1056.4083	1916.4272	1226.1533	1121.4878	351.8157	776.37323	874.33759	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	159.31546	0	0	0	0	0	0	244.9001	159.31546	0	0	4	4	1	0	2.7981894	2.708683	4	1	0	0	0	0	0.1	0	2.3949001	1.293	0	0	7.7454643	14.83108	81.819725	0	0	76.320236	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	4.0055699	73.293228	30.947832	0	0	17.643185	76.320236	8.5265026	3.185575	0	2.7567475	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	2.3501408	1.8617485	1.33769	1.1251426	0	53.990002	83.120003	0.51481563	0.65002245	5.523562	4.5849624	2.5399911	2.6133058	8.4195395	6.8320513	244.9001	159.31546	367.00107	186.90221	263.25	137.5	281.14902	162.22215	30.537619	0	0	0	0	0	0	0	160.29349	76.170105	33.029301	48.639549	30.537619	27.133842	5.3953252	2.8021433	0.23970899	0.17614825	2.6517773	3.0802639	1.7756623	2.7987235	0.80558389	2.2440007	0.39811906	0.69288176	0.18423676	0.25789443	0.050205711	0.047577064	0.004379716	0.005552572	0	0	578.125	448.5	340.375	259.125	271.25	182.75	245	138	218.5	103.375	157.125	81.375	79.625	62.375	31.75	46.625	7.228416	0.5	7.1763501	0.5	0.5	1	0.70710677	1	0.70710677	1.118034	0.70710677	0.5	-2.2570698	-2.3162749	-2.2559736	-2.3135495	-2.2545061	-2.3052547	-5.4111814	-5.3163619	-5.3114209	-5.2465367	-5.095974	-5.1376472	1.2020918	1.1819232	230.75	232.875	274.625	346.875	173.75	270.875	66.125	72.125	24.25	22.5	5.75	3.375	0.5	0.625	0	0	0.089400925	0.12859097	0.023469388	0.025362318	1.1877036	0.52892375	1.0598711	0.50073993	1.0759208	0.42470616	1.2929488	0.30174422	1.5141792	0.28244919	1.8226515	0.24912761	1.5276124	0.41721895	1.2021793	0.64258498	0.81477576	0.1815457	2.2796693	0.15522556	3.7727251	0.24244481	4.1858115	1.3889649	4.3511286	2.397295	4.5800614	4.231811	5.3393946	6.3769078	0	0	1.4401109	1.2547381	407.4339	293.98566	586.75	368.875	831.625	843.625	411	569.875	177.75	295.5	66.125	76	24.25	23.5	5.75	3.5	0.5	0.625	0	0	600.875	610.75	136.375	223	4	24.625	0	3.875	0	1	0	0.125	0	0	0	0	282.336	167.12	627	206	48	15	122	56
Artemisinin	2-hydroxybenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1c(O)cccc1	3.8050928	2.2092648	-88182.25	-44749.195	-667016.75	-188477.86	-154.65057	-113.93039	-10.56012	-9.4849396	10.56012	9.4849396	0.87564999	-0.57546002	45.079445	18.726757	456.67719	297.78552	0	0	0	0	456.67719	297.78552	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	16	0	3	4	6	20	10	12	6	58.156837	24.083853	1.3846866	1.5052408	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	0	5	3	0	0	0	0	1.8182865	2.4522195	-2.8763011	-2.1709793	-0.46847317	-0.62934113	0.48142555	0.68945879	2.9546874	2.1936312	-2.9138391	-2.1012006	-0.40296918	-0.55085629	0.52481794	0.7430222	2.9398463	2.3323722	-2.6583734	-1.8643987	-0.33618459	-0.4516463	0.60764611	0.82462782	3.1623287	2.4917603	30.756554	7.517242	0	1	0	0.1	0	6	45	16	1	1	23	10	3	1	0	1	0	0.1	44	9	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.1120768	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.7152143	7.713058	2.728688	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.1161374	0.76930565	0.80527097	7	5	0	0	0	0	0	0	0	0	67.720932	9.8512259	15.392588	5.6355033	-3.2059937	-14.146286	10.423069	-8.6827421	0.004222634	9.16E-07	0	0	2.59E+12	2.94E+10	-9.7782021	-2.8619123	2.59E+12	2.94E+10	-3.9392874	-11.879991	0	0	8.5961571	3.4456532	13.212008	17.286829	33.304897	9.4528112	13.629063	5.4635439	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75821775	-0.38651478	-0.48944166	-0.01928976	0.15040919	3.1303203	1.9886007	-0.89714968	-0.85426527	-0.31035468	-0.35058248	-0.002505066	0.1821873	3.1423492	2.1185956	-0.53425395	-0.42783704	-0.21040775	-0.23844305	0.10722204	0.25775439	3.3267074	2.2727766	0.21797732	0.017509794	6.1551886	3.0430934	6.7819748	6.6146646	6.7819748	1.6588919	0.72404015	0.64015943	0.72404015	0.90837193	-2.328289	-1.2585945	0	0	0.95388722	4.4170513	7.165029	3.6347482	0	-1.0069259	14	4.9767804	14	14	1	1.1925596	0	2.792654	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	1.9911112	13.022482	5.5951948	4.0571489	2.2441437	1.6103241	1.2599444	2.6417074	1.2556422	5	3	0	2	1	1	0	0	3.582	1.273	-3.4716799	-0.99233001	3.2725534	1.5429585	-88505.227	-44891.316	-655666.63	-187387.88	-124.02571	-114.00329	-10.87649	-9.2571297	10.87649	9.2571297	0.70187002	-0.34658	7.0486565	3.5745182	0	0	1	1	0.54197603	0.34659702	0.76507992	0.69053531	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1435173	-1.578668	-1.1435173	0.169572	0.25686762	0.19891214	0.31399009	98.274422	0	4.2653861	27.728603	0	0	0	0	12.263453	20.648346	14.708499	14.708499	0	0	44.851616	24.509808	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	15.535081	0.78448415	0.54351544	0.47116494	0.55324155	0.10538135	0.20609452	0.21551585	0.45648456	0.52883506	0.44675845	0.1101345	0.25039005	192.12025	76.748222	115.38834	78.12162	25.807903	29.102001	52.779854	64.458847	129.51176	63.085449	26.971952	35.356846	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.0402913	-82636.43	-41581.129	-653627.19	-184630.39	-158.23212	-112.35474	-10.78035	-9.3831501	10.78035	9.3831501	-0.15042999	-0.57612002	2210.6523	630.51788	1038.6576	214.55222	1466.22	427.45859	1916.4272	619.02496	1121.4878	249.78767	776.37323	367.12866	312.79126	13.601581	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	141.20706	0	0	0	0	0	0	244.9001	141.20706	0	0	4	3	1	0	2.7981894	2.1365707	4	1	0	0	0	0	0.1	0.69999999	2.3949001	1.0904	0	25.385227	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	3.5066099	73.293228	23.862217	0	25.385227	17.643185	25.385227	8.5265026	8.4290028	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	1.9955703	1.8617485	1.4570894	1.1251426	0.264063	53.990002	57.529999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.1508632	8.4195395	6.3392239	244.9001	141.20706	367.00107	171.52238	263.25	123.75	281.14902	146.84282	30.537619	0	0	0	0	0	0	0	160.29349	73.901039	33.029301	14.708499	30.537619	40.700764	5.3953252	4.1316624	0.23970899	0.12891091	2.6517773	3.0399685	1.7756623	2.3863378	0.80558389	1.3811328	0.39811906	0.76460892	0.18423676	0.37496516	0.050205711	0.10444269	0.004379716	0.003713427	0	0	578.125	369.625	340.375	202.75	271.25	151.75	245	131.625	218.5	114	157.125	93.375	79.625	50.625	31.75	21	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.1349969	-2.2559736	-2.1030979	-2.2545061	-2.0548558	-5.4111814	-5.5056005	-5.3114209	-5.1245027	-5.095974	-5.0873437	1.2020918	1.1524351	230.75	216.375	274.625	266	173.75	181.875	66.125	79.125	24.25	29	5.75	7.75	0.5	0.375	0	0	0.089400925	0.19686985	0.023469388	0.05887939	1.1877036	1.4700758	1.0598711	1.4189216	1.0759208	1.5765135	1.2929488	1.8721858	1.5141792	2.0826175	1.8226515	1.9935706	1.5276124	1.0258491	1.2021793	0.1923407	0.81477576	0.5624491	2.2796693	1.5517383	3.7727251	2.2290576	4.1858115	2.5174792	4.3511286	2.5570891	4.5800614	3.3663187	5.3393946	4.9499621	0	0	1.4401109	1.2391664	407.4339	265.80368	586.75	329.375	831.625	701.75	411	412.75	177.75	210.5	66.125	85.375	24.25	29.875	5.75	7.75	0.5	0.375	0	0	600.875	485.375	136.375	146.75	4	28.625	0	6.25	0	0.875	0	0	0	0	0	0	282.336	138.12199	627	114	48	12	122	46
Artemisinin	3-hydroxybenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1cc(O)ccc1	3.8050928	2.8390241	-88182.25	-44746.445	-667016.75	-185038.89	-154.65057	-111.17833	-10.56012	-9.5076303	10.56012	9.5076303	0.87564999	-0.58082002	45.079445	18.726757	456.67719	299.6662	0	0	0	0	456.67719	299.6662	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	16	0	3	4	6	20	10	12	6	58.156837	24.083853	1.3846866	1.5052408	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	0	5	3	0	0	0	0	1.8182865	2.3725212	-2.8763011	-2.1706212	-0.46847317	-0.63017851	0.48142555	0.6902262	2.9546874	2.1850998	-2.9138391	-2.1028779	-0.40296918	-0.55156702	0.52481794	0.75999343	2.9398463	2.3307672	-2.6583734	-1.8625317	-0.33618459	-0.46554083	0.60764611	0.82842892	3.1623287	2.4875474	30.756554	7.517242	0	1	0	0.1	0	6	45	16	1	1	23	10	3	1	0	1	0	0.1	44	9	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.1120768	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.7227049	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.0994786	0.76930565	0.80527097	7	5	0	0	0	0	0	0	0	0	67.720932	2.8016026	15.392588	5.4474435	-3.2059937	-19.48101	10.423069	-14.115073	0.004222634	5.48E-15	0	0	2.59E+12	9.16E+09	-9.7782021	-3.4495621	2.59E+12	9.16E+09	-3.9392874	-14.33236	0	0	8.5961571	3.3937416	13.212008	11.861645	33.304897	8.075491	13.629063	5.3659377	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76410663	-0.38651478	-0.49608746	-0.01928976	0.1732516	3.1303203	1.9832846	-0.89714968	-0.85417759	-0.31035468	-0.40398043	-0.002505066	0.19417298	3.1423492	2.1149628	-0.53425395	-0.4296048	-0.21040775	-0.24104726	0.10722204	0.27034467	3.3267074	2.269201	0.21797732	0	6.1551886	3.1215293	6.7819748	6.6013584	6.7819748	1.8601425	0.72404015	0.6070686	0.72404015	0.87450016	-2.328289	-1.2297851	0	0	0.95388722	4.4001555	7.165029	3.6324797	0	-0.99912733	14	4.6395445	14	14	1	1.0527486	0	3.2449009	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.5951948	4.0571489	2.2441437	1.6103241	1.4463648	2.6417074	1.2556422	5	3	0	2	1	1	0	0	3.582	1.312	-3.4716799	-0.99233001	3.2725534	2.723069	-88505.227	-44890.02	-655666.63	-184430.08	-124.02571	-112.70806	-10.87649	-9.2323599	10.87649	9.2323599	0.70187002	-0.60861999	7.0486565	3.5707798	0	0	1	1	0.54197603	0.26277322	0.76507992	0.73722678	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1050156	-1.578668	-1.1050156	0.169572	0.26363117	0.19891214	0.32561678	98.274422	2.2085397	4.2653861	25.520063	0	0	0	0	12.263453	20.648346	14.708499	14.708499	0	0	44.851616	36.764713	37.495354	12.254904	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	15.535081	0.78448415	0.54351544	0.47116494	0.55324155	0.10538135	0.20609452	0.21551585	0.45648456	0.52883506	0.44675845	0.1101345	0.25039005	192.12025	76.748222	115.38834	78.12162	25.807903	29.102001	52.779854	64.458847	129.51176	63.085449	26.971952	35.356846	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.7731206	-82636.43	-41579.406	-653627.19	-180683.84	-158.23212	-110.63077	-10.78035	-9.5241804	10.78035	9.5241804	-0.15042999	-0.59915	2210.6523	723.80609	1038.6576	190.19685	1466.22	533.60925	1916.4272	723.80609	1121.4878	208.28195	776.37323	515.52417	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	141.20706	0	0	0	0	0	0	244.9001	141.20706	0	0	4	3	1	0	2.7981894	2.2891786	4	1	0	0	0	0	0.1	0	2.3949001	1.0904	0	25.385227	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	3.5066099	73.293228	23.862217	0	25.385227	17.643185	25.385227	8.5265026	8.4290028	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	2.1080084	1.8617485	1.4566977	1.1251426	0	53.990002	57.529999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.2245147	8.4195395	6.3255587	244.9001	141.20706	367.00107	171.52238	263.25	125.625	281.14902	149.19888	30.537619	0	0	0	0	0	0	0	160.29349	73.901039	33.029301	14.708499	30.537619	40.700764	5.3953252	3.5663154	0.23970899	0.13785452	2.6517773	3.062412	1.7756623	2.5383334	0.80558389	1.494061	0.39811906	0.70181119	0.18423676	0.34213299	0.050205711	0.10855518	0.004379716	0.005017896	0	0	578.125	377.75	340.375	215	271.25	155	245	130.5	218.5	110.5	157.125	90.875	79.625	56.125	31.75	29.125	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.0596762	-2.2559736	-2.0423212	-2.2545061	-2.0259612	-5.4111814	-5.46488	-5.3114209	-5.2530823	-5.095974	-5.2429376	1.2020918	1.1661102	230.75	213	274.625	269.25	173.75	182.5	66.125	68.875	24.25	28	5.75	7.875	0.5	0.5	0	0	0.089400925	0.1967742	0.023469388	0.062260535	1.1877036	1.049677	1.0598711	0.97983366	1.0759208	1.0842074	1.2929488	1.2758275	1.5141792	1.4623747	1.8226515	1.4710184	1.5276124	0.8534463	1.2021793	0.56801653	0.81477576	0.44627661	2.2796693	1.108584	3.7727251	1.7599983	4.1858115	2.2664952	4.3511286	2.4883437	4.5800614	3.1609869	5.3393946	5.3158832	0	0	1.4401109	1.2267995	407.4339	269.90964	586.75	331.125	831.625	721.125	411	435.125	177.75	210.125	66.125	76.5	24.25	30.5	5.75	8.125	0.5	0.5	0	0	600.875	508.125	136.375	165.875	4	27.625	0	7.625	0	2.5	0	0.25	0	0	0	0	282.336	138.12199	627	117	48	11	122	46
Artemisinin	4-hydroxybenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1ccc(O)cc1	3.8050928	1.9462641	-88182.25	-44748.18	-667016.75	-184306.38	-154.65057	-112.91412	-10.56012	-9.60781	10.56012	9.60781	0.87564999	-0.48146999	45.079445	18.726757	456.67719	301.81879	0	0	0	0	456.67719	301.81879	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	16	0	3	4	6	20	10	12	6	58.156837	24.083853	1.3846866	1.5052408	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	0	5	3	0	0	0	0	1.8182865	2.3101141	-2.8763011	-2.1704814	-0.46847317	-0.64125836	0.48142555	0.70453465	2.9546874	2.1825616	-2.9138391	-2.103312	-0.40296918	-0.53807992	0.52481794	0.80591482	2.9398463	2.3302937	-2.6583734	-1.8619499	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.4863067	30.756554	7.517242	0	1	0	0.1	0	6	45	16	1	1	23	10	3	1	0	1	0	0.1	44	9	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.1120768	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.7227049	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.0983857	0.76930565	0.80527097	7	6	0	0	0	0	0	0	0	0	67.720932	6.2560349	15.392588	5.5695858	-3.2059937	-16.003515	10.423069	-10.624135	0.004222634	7.13E-14	0	0	2.59E+12	1.45E+09	-9.7782021	-2.6427453	2.59E+12	1.45E+09	-3.9392874	-14.307468	0	0	8.5961571	3.3848412	13.212008	11.998507	33.304897	7.9257431	13.629063	5.3793807	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76520085	-0.38651478	-0.49077448	-0.01928976	0.15806064	3.1303203	1.9810377	-0.89714968	-0.85407144	-0.31035468	-0.3547875	-0.002505066	0.16445385	3.1423492	2.1131144	-0.53425395	-0.4296844	-0.21040775	-0.23703328	0.10722204	0.25962123	3.3267074	2.2674515	0.21797732	0	6.1551886	3.1222901	6.7819748	6.7117357	6.7819748	1.9519131	0.72404015	0.58162862	0.72404015	0.85147381	-2.328289	-1.2127537	0	0	0.95388722	4.4138756	7.165029	3.6343219	0	-0.99062496	14	5.2714386	14	14	1	1.1828648	0	2.3891377	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.5951948	4.0571489	2.2441437	1.6103241	1.4463648	2.6417074	1.2556422	5	3	0	2	1	1	0	0	3.582	1.275	-3.4716799	-0.99233001	3.2725534	1.9109356	-88505.227	-44891.781	-655666.63	-183665.55	-124.02571	-114.46594	-10.87649	-9.3487902	10.87649	9.3487902	0.70187002	-0.53271002	7.0486565	3.5707798	0	0	1	1	0.54197603	0.17094104	0.76507992	0.82905895	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1020565	-1.578668	-1.1020565	0.169572	0.26426756	0.19891214	0.32650965	98.274422	2.2085397	4.2653861	25.520063	0	0	0	0	12.263453	20.648346	14.708499	14.708499	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	15.535081	0.78448415	0.54351544	0.47116494	0.55324155	0.10538135	0.20609452	0.21551585	0.45648456	0.52883506	0.44675845	0.1101345	0.25039005	192.12025	76.748222	115.38834	78.12162	25.807903	29.102001	52.779854	64.458847	129.51176	63.085449	26.971952	35.356846	0.42857143	0.5	0.75	1	3.6450274	1.9509354	-82636.43	-41580.711	-653627.19	-179973.73	-158.23212	-111.9367	-10.78035	-9.5935497	10.78035	9.5935497	-0.15042999	-0.49816	2210.6523	772.58942	1038.6576	132.06725	1466.22	640.52216	1916.4272	772.58942	1121.4878	231.91406	776.37323	540.67535	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	141.20706	0	0	0	0	0	0	244.9001	141.20706	0	0	4	3	1	0	2.7981894	2.3650644	4	1	0	0	0	0	0.1	0.69999999	2.3949001	1.0904	0	25.385227	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	3.5066099	73.293228	23.862217	0	25.385227	17.643185	25.385227	8.5265026	8.4290028	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	2.2261798	1.8617485	1.3198532	1.1251426	0	53.990002	57.529999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.3442218	8.4195395	6.3056221	244.9001	141.20706	367.00107	171.52238	263.25	125.75	281.14902	149.03252	30.537619	0	0	0	0	0	0	0	160.29349	73.901039	33.029301	14.708499	30.537619	40.700764	5.3953252	2.4117165	0.23970899	0.15394704	2.6517773	3.1048694	1.7756623	2.7387249	0.80558389	1.6164911	0.39811906	0.68607146	0.18423676	0.28325644	0.050205711	0.068641849	0.004379716	0.004217042	0	0	578.125	368.75	340.375	213.5	271.25	153.625	245	125.25	218.5	101.625	157.125	81.25	79.625	55.25	31.75	31	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	1.118034	0.70710677	1	0.70710677	0.5	-2.2570698	-2.0457997	-2.2559736	-2.0325243	-2.2545061	-2.0230308	-5.4111814	-5.2618818	-5.3114209	-5.1788659	-5.095974	-5.0612154	1.2020918	1.1655921	230.75	221.625	274.625	297.75	173.75	186	66.125	62.625	24.25	23	5.75	5.125	0.5	0.5	0	0	0.089400925	0.15947925	0.023469388	0.041916169	1.1877036	0.52295333	1.0598711	0.56555277	1.0759208	0.60903949	1.2929488	0.61203992	1.5141792	0.68574673	1.8226515	0.67236489	1.5276124	0.55517715	1.2021793	0.67586619	0.81477576	0.17141619	2.2796693	0.43332669	3.7727251	0.93094522	4.1858115	1.3895357	4.3511286	1.8079216	4.5800614	2.7622209	5.3393946	5.6503105	0	0	1.4401109	1.2242482	407.4339	268.43005	586.75	328.625	831.625	732.625	411	462.625	177.75	214.125	66.125	70	24.25	24.5	5.75	5.25	0.5	0.5	0	0	600.875	511	136.375	164.875	4	28.125	0	7.375	0	1.5	0	0.125	0	0	0	0	282.336	138.12199	627	120	48	11	122	46
Artemisinin	2-fluorobenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Fc1c(C(=O)O)cccc1	3.8050928	3.5717735	-88182.25	-48221.813	-667016.75	-191094.77	-154.65057	-109.65884	-10.56012	-9.9384804	10.56012	9.9384804	0.87564999	-0.72428	45.079445	17.814964	456.67719	292.99442	0	0	0	0	456.67719	292.99442	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	15	0	2	4	4	20	10	12	7	58.156837	25.342234	1.3846866	1.6894822	0	0	0	0	15	7	0	0	0	1	22	5	0	0	0	0	5	2	0	0	0	0	1.8182865	2.4522195	-2.8763011	-2.1363075	-0.46847317	-0.64855653	0.48142555	0.67737442	2.9546874	2.1923816	-2.9138391	-2.115344	-0.40296918	-0.52190381	0.52481794	0.78134865	2.9398463	2.2570982	-2.6583734	-1.8477132	-0.33618459	-0.46572989	0.60764611	0.83215553	3.1623287	2.4719689	30.756554	7.6270351	0	1	0	0.1	0	6	45	15	1	1	23	10	3	1	0	1	0	0.1	44	8	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.0428276	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.7152143	7.713058	2.6940634	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.1449479	0.76930565	0.84333068	7	5	0	0	0	0	0	0	0	0	67.720932	9.7888842	15.392588	5.6225281	-3.2059937	-13.546141	10.423069	-5.9350109	0.004222634	0.000302362	0	0	2.59E+12	1.16E+12	-9.7782021	-2.1986952	2.59E+12	1.16E+12	-3.9392874	-9.9654894	0	0	8.5961571	3.0358975	13.212008	13.035922	33.304897	7.0651665	13.629063	7.6111298	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.73418385	-0.38651478	-0.45513391	-0.01928976	0.098670796	3.1303203	1.9634243	-0.89714968	-0.85425341	-0.31035468	-0.30614787	-0.002505066	0.22882183	3.1423492	2.0450544	-0.53425395	-0.40479973	-0.21040775	-0.22427261	0.10722204	0.21918669	3.3267074	2.2342744	0.21797732	4.38E-08	6.1551886	2.5859711	6.7819748	4.9909692	6.7819748	2.0728431	0.72404015	1.258094	0.72404015	1.5438982	-2.328289	-1.7199037	0	0	0.95388722	4.3627906	7.165029	3.4875305	0	-0.99850035	14	4.1766448	14	14	1	1.0113137	0	3.8765707	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	1.9911112	13.022482	5.4760385	4.0571489	2.1897676	1.6103241	1.2263077	2.6417074	1.1991251	5	2	0	1	1	1	0	0	3.582	1.734	-3.4716799	-1.64926	3.2725534	3.7041655	-88505.227	-48182.938	-655666.63	-190225.47	-124.02571	-110.5838	-10.87649	-9.8157701	10.87649	9.8157701	0.70187002	-0.76341999	7.0486565	3.5022712	0	0	1	1	0.54197603	0.35098252	0.76507992	0.64901757	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.98304206	-1.578668	-0.98304206	0.169572	0.29909348	0.19891214	0.33306968	98.274422	0	4.2653861	19.270084	0	9.0208454	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	24.509808	37.495354	24.509808	0	0	7.2334704	0	7.2334704	11.908636	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.5701943	0.47116494	0.60671842	0.10538135	0.24518032	0.21551585	0.4298057	0.52883506	0.39328158	0.1101345	0.18462536	192.12025	77.310547	115.38834	82.262711	25.807903	33.243095	52.779854	58.275768	129.51176	53.323601	26.971952	25.032671	0.42857143	0.40000001	0.75	0.66666669	3.6450274	3.5102615	-82636.43	-44598.461	-653627.19	-184929.5	-158.23212	-106.93041	-10.78035	-10.14955	10.78035	10.14955	-0.15042999	-0.79751003	2210.6523	639.79236	1038.6576	224.55592	1466.22	415.23648	1916.4272	639.79236	1121.4878	248.80649	776.37323	388.52008	312.79126	2.4658139	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	135.58632	0	0	0	0	0	0	244.9001	135.58632	0	0	4	3	1	0	2.7981894	2.1368809	4	1	0	0	0	0	0.1	0.69999999	2.3949001	1.5239	0	0	7.7454643	7.7454643	81.819725	9.1210184	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	14.960114	6.8046999	3.3359301	73.293228	23.862217	0	14.960114	17.643185	34.506245	8.5265026	3.185575	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	2.0368905	1.8617485	1.3882616	1.1251426	0.000426387	53.990002	37.299999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.1508632	8.4195395	6.3392239	244.9001	135.58632	367.00107	166.14241	263.25	122.375	281.14902	145.16074	30.537619	0	0	0	0	0	0	0	160.29349	86.372002	33.029301	14.708499	30.537619	27.133842	5.3953252	5.1482549	0.23970899	0.18801424	2.6517773	3.005841	1.7756623	2.3081424	0.80558389	1.4474674	0.39811906	0.71343935	0.18423676	0.24446034	0.050205711	0.061988842	0.004379716	0.00883751	0	0	578.125	364.125	340.375	197.875	271.25	147.5	245	127.75	218.5	110.625	157.125	87.5	79.625	43.875	31.75	21.75	7.228416	0.5	7.1763501	6.5192022	0.5	6.5383482	0.70710677	1.118034	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-2.025424	-2.2559736	-2.0213542	-2.2545061	-2.0208437	-5.4111814	-5.3025527	-5.3114209	-5.250453	-5.095974	-5.1961884	1.2020918	1.1511935	230.75	192.75	274.625	256.875	173.75	178.25	66.125	66	24.25	19.5	5.75	4.625	0.5	0.75	0	0	0.089400925	0.13559322	0.023469388	0.036203522	1.1877036	1.5293995	1.0598711	1.4493333	1.0759208	1.6374543	1.2929488	1.9597934	1.5141792	2.1422534	1.8226515	2.0369756	1.5276124	0.94104624	1.2021793	0.77318722	0.81477576	0.54732639	2.2796693	1.6216826	3.7727251	2.2356074	4.1858115	2.8066139	4.3511286	3.5671251	4.5800614	4.6777091	5.3393946	5.0500412	0	0	1.4401109	1.2318112	407.4339	261.80963	586.75	322.5	831.625	662.25	411	380.875	177.75	194.125	66.125	69.625	24.25	20	5.75	4.625	0.5	0.75	0	0	600.875	469.5	136.375	124	4	15.875	0	3.625	0	0.5	0	0	0	0	0	0	282.336	140.11299	627	114	48	12	122	46
Artemisinin	3-fluorobenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Fc1cc(C(=O)O)ccc1	3.8050928	2.7588096	-88182.25	-48224.105	-667016.75	-187610.88	-154.65057	-111.95262	-10.56012	-9.9506302	10.56012	9.9506302	0.87564999	-0.75435001	45.079445	17.814964	456.67719	296.91403	0	0	0	0	456.67719	296.91403	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	15	0	2	4	4	20	10	12	7	58.156837	25.342234	1.3846866	1.6894822	0	0	0	0	15	7	0	0	0	1	22	5	0	0	0	0	5	2	0	0	0	0	1.8182865	2.3725212	-2.8763011	-2.1381588	-0.46847317	-0.65131921	0.48142555	0.67745996	2.9546874	2.1840715	-2.9138391	-2.1111095	-0.40296918	-0.52545899	0.52481794	0.79445976	2.9398463	2.2575018	-2.6583734	-1.8475949	-0.33618459	-0.4656294	0.60764611	0.83216125	3.1623287	2.4722297	30.756554	7.6270351	0	1	0	0.1	0	6	45	15	1	1	23	10	3	1	0	1	0	0.1	44	8	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.0428276	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.6880803	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.1472917	0.76930565	0.84333068	7	5	0	0	0	0	0	0	0	0	67.720932	7.71557	15.392588	5.5147858	-3.2059937	-14.059291	10.423069	-8.6335773	0.004222634	0.000625788	0	0	2.59E+12	7.35E+09	-9.7782021	-2.6109505	2.59E+12	7.35E+09	-3.9392874	-8.1731081	0	0	8.5961571	2.8957577	13.212008	10.782965	33.304897	7.9379778	13.629063	5.4257135	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.72163403	-0.38651478	-0.46268457	-0.01928976	0.10673767	3.1303203	1.9602948	-0.89714968	-0.85412097	-0.31035468	-0.30538699	-0.002505066	0.24338162	3.1423492	2.0452645	-0.53425395	-0.40541816	-0.21040775	-0.22428694	0.10722204	0.21918418	3.3267074	2.2343802	0.21797732	1.13E-07	6.1551886	2.6463332	6.7819748	5.2190413	6.7819748	2.3515117	0.72404015	1.1821883	0.72404015	1.4543204	-2.328289	-1.6537409	0	0	0.95388722	4.3519249	7.165029	3.4860716	0	-0.99716264	14	4.4541459	14	14	1	1.0196649	0	3.4964387	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.4760385	4.0571489	2.1897676	1.6103241	1.4077512	2.6417074	1.1991251	5	2	0	1	1	1	0	0	3.582	1.773	-3.4716799	-1.64926	3.2725534	2.5570166	-88505.227	-48185.258	-655666.63	-186910.69	-124.02571	-112.90647	-10.87649	-9.8275404	10.87649	9.8275404	0.70187002	-0.65065002	7.0486565	3.4985328	0	0	1	1	0.54197603	0.25354403	0.76507992	0.74645615	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.93940121	-1.578668	-0.93940121	0.169572	0.31011641	0.19891214	0.34861428	98.274422	2.2085397	4.2653861	17.061544	0	9.0208454	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	36.764713	37.495354	12.254904	0	0	7.2334704	0	7.2334704	11.908636	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.5701943	0.47116494	0.60671842	0.10538135	0.24518032	0.21551585	0.4298057	0.52883506	0.39328158	0.1101345	0.18462536	192.12025	77.310547	115.38834	82.262711	25.807903	33.243095	52.779854	58.275768	129.51176	53.323601	26.971952	25.032671	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.734513	-82636.43	-44600.344	-653627.19	-181687.03	-158.23212	-108.81251	-10.78035	-10.16468	10.78035	10.16468	-0.15042999	-0.82251	2210.6523	743.23785	1038.6576	188.4435	1466.22	554.79443	1916.4272	743.23779	1121.4878	343.15234	776.37323	398.17014	312.79126	1.9153807	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	135.58632	0	0	0	0	0	0	244.9001	135.58632	0	0	4	3	1	0	2.7981894	2.3031631	4	1	0	0	0	0	0.1	0	2.3949001	1.5239	0	0	7.7454643	7.7454643	81.819725	9.1210184	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	14.960114	6.8046999	3.3359301	73.293228	23.862217	0	14.960114	17.643185	34.506245	8.5265026	3.185575	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	2.0484056	1.8617485	1.3794743	1.1251426	0.000688231	53.990002	37.299999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.2245147	8.4195395	6.3255587	244.9001	135.58632	367.00107	166.14241	263.25	122.125	281.14902	146.39922	30.537619	0	0	0	0	0	0	0	160.29349	86.372002	33.029301	14.708499	30.537619	27.133842	5.3953252	4.8538713	0.23970899	0.17197098	2.6517773	3.0586987	1.7756623	2.540555	0.80558389	1.7358768	0.39811906	0.68097872	0.18423676	0.22886795	0.050205711	0.065369934	0.004379716	0.000932172	0	0	578.125	337.125	340.375	185	271.25	133.125	245	111.875	218.5	92	157.125	73.5	79.625	41.125	31.75	23.625	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	0.5	0.70710677	1	0.70710677	1.118034	-2.2570698	-2.0117712	-2.2559736	-2.0055261	-2.2545061	-2.0019245	-5.4111814	-5.2233052	-5.3114209	-4.9830217	-5.095974	-4.9325185	1.2020918	1.1562792	230.75	221.625	274.625	309.375	173.75	207.75	66.125	63.625	24.25	17.75	5.75	5.125	0.5	0.125	0	0	0.089400925	0.14178404	0.023469388	0.046927374	1.1877036	1.2022094	1.0598711	1.1247599	1.0759208	1.3050123	1.2929488	1.5460664	1.5141792	1.6596867	1.8226515	1.5717483	1.5276124	0.84843987	1.2021793	0.82332677	0.81477576	0.56060904	2.2796693	1.1239061	3.7727251	1.5259557	4.1858115	2.6362422	4.3511286	4.0091686	4.5800614	4.8239865	5.3393946	5.6107435	0	0	1.4401109	1.2286075	407.4339	263.91666	586.75	324.25	831.625	693	411	436.25	177.75	221.625	66.125	67.625	24.25	18.875	5.75	5.25	0.5	0.125	0	0	600.875	471.375	136.375	126.875	4	13.875	0	4	0	1.125	0	0.125	0	0	0	0	282.336	140.11299	627	117	48	11	122	46
Artemisinin	4-fluorobenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Fc1ccc(C(=O)O)cc1	3.8050928	1.2798125	-88182.25	-48225.148	-667016.75	-186939	-154.65057	-112.99735	-10.56012	-10.03742	10.56012	10.03742	0.87564999	-0.77661997	45.079445	17.814964	456.67719	296.60992	0	0	0	0	456.67719	296.60992	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	15	0	2	4	4	20	10	12	7	58.156837	25.342234	1.3846866	1.6894822	0	0	0	0	15	7	0	0	0	1	22	5	0	0	0	0	5	2	0	0	0	0	1.8182865	2.3101141	-2.8763011	-2.1387479	-0.46847317	-0.64731956	0.48142555	0.68122798	2.9546874	2.1815917	-2.9138391	-2.1100173	-0.40296918	-0.53844631	0.52481794	0.8084963	2.9398463	2.2576365	-2.6583734	-1.8475577	-0.33618459	-0.46555173	0.60764611	0.83218861	3.1623287	2.472306	30.756554	7.6270351	0	1	0	0.1	0	6	45	15	1	1	23	10	3	1	0	1	0	0.1	44	8	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.0428276	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.6880803	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.154381	0.76930565	0.84333068	7	6	0	0	0	0	0	0	0	0	67.720932	13.501907	15.392588	5.5992026	-3.2059937	-8.1875992	10.423069	-2.7631946	0.004222634	7.51E-05	0	0	2.59E+12	1.95E+10	-9.7782021	-2.413111	2.59E+12	1.95E+10	-3.9392874	-8.1007566	0	0	8.5961571	2.9608829	13.212008	10.824347	33.304897	7.7049408	13.629063	5.4244051	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.70597446	-0.38651478	-0.44709918	-0.01928976	0.11224816	3.1303203	1.959313	-0.89714968	-0.85415035	-0.31035468	-0.31214628	-0.002505066	0.22895479	3.1423492	2.0453751	-0.53425395	-0.40573141	-0.21040775	-0.22442247	0.10722204	0.21901943	3.3267074	2.2344239	0.21797732	1.48E-08	6.1551886	2.6693251	6.7819748	5.285675	6.7819748	2.4476423	0.72404015	1.151463	0.72404015	1.4324014	-2.328289	-1.6386769	0	0	0.95388722	4.3606024	7.165029	3.4872365	0	-0.9959709	14	4.6069608	14	14	1	1.0265855	0	3.2873797	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.4760385	4.0571489	2.1897676	1.6103241	1.4077512	2.6417074	1.1991251	5	2	0	1	1	1	0	0	3.582	1.7359999	-3.4716799	-1.64926	3.2725534	1.2538329	-88505.227	-48184.191	-655666.63	-186299.98	-124.02571	-111.83905	-10.87649	-9.9239998	10.87649	9.9239998	0.70187002	-0.90851998	7.0486565	3.4985328	0	0	1	1	0.54197603	0.16581666	0.76507992	0.83418334	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.93617487	-1.578668	-0.93617487	0.169572	0.31109351	0.19891214	0.34981659	98.274422	2.2085397	4.2653861	17.061544	0	9.0208454	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	11.908636	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.5701943	0.47116494	0.60671842	0.10538135	0.24518032	0.21551585	0.4298057	0.52883506	0.39328158	0.1101345	0.18462536	192.12025	77.310547	115.38834	82.262711	25.807903	33.243095	52.779854	58.275768	129.51176	53.323601	26.971952	25.032671	0.42857143	0.5	0.75	1	3.6450274	1.2300187	-82636.43	-44600.992	-653627.19	-181037.22	-158.23212	-109.4613	-10.78035	-10.21745	10.78035	10.21745	-0.15042999	-0.82739002	2210.6523	793.34906	1038.6576	131.55049	1466.22	661.79858	1916.4272	793.34906	1121.4878	654.57642	776.37323	137.09248	312.79126	1.6801511	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	135.58632	0	0	0	0	0	0	244.9001	135.58632	0	0	4	3	1	0	2.7981894	2.3795397	4	1	0	0	0	0	0.1	0.69999999	2.3949001	1.5239	0	0	7.7454643	7.7454643	81.819725	9.1210184	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	14.960114	6.8046999	3.3359301	73.293228	23.862217	0	14.960114	17.643185	34.506245	8.5265026	3.185575	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	2.062712	1.8617485	1.3615068	1.1251426	0.000251138	53.990002	37.299999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.3442218	8.4195395	6.3056221	244.9001	135.58632	367.00107	166.14241	263.25	121.375	281.14902	146.41153	30.537619	0	0	0	0	0	0	0	160.29349	86.372002	33.029301	14.708499	30.537619	27.133842	5.3953252	4.5199099	0.23970899	0.18479002	2.6517773	3.0801761	1.7756623	2.6882861	0.80558389	1.8111663	0.39811906	0.62099952	0.18423676	0.21466331	0.050205711	0.059320621	0.004379716	0.002844139	0	0	578.125	333.5	340.375	187.875	271.25	133.125	245	108	218.5	86	157.125	66.25	79.625	42.375	31.75	23.875	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	1.118034	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-2.0114191	-2.2559736	-2.0016785	-2.2545061	-1.9963641	-5.4111814	-5.1852365	-5.3114209	-5.075253	-5.095974	-5.0715823	1.2020918	1.1588001	230.75	226.875	274.625	324.625	173.75	209.125	66.125	54.625	24.25	15.875	5.75	4.375	0.5	0.375	0	0	0.089400925	0.12769952	0.023469388	0.041666668	1.1877036	0.1317993	1.0598711	0.10576729	1.0759208	0.16802034	1.2929488	0.12198638	1.5141792	0.1343191	1.8226515	0.21387638	1.5276124	0.53024578	1.2021793	0.9152056	0.81477576	0.52898407	2.2796693	0.60130906	3.7727251	0.93889904	4.1858115	2.8003414	4.3511286	4.4373584	4.5800614	5.1800461	5.3393946	5.7185602	0	0	1.4401109	1.2230924	407.4339	263.26709	586.75	322	831.625	701.25	411	453.625	177.75	223	66.125	58.375	24.25	17	5.75	4.5	0.5	0.375	0	0	600.875	474.375	136.375	129	4	13.875	0	3.75	0	1.125	0	0.125	0	0	0	0	282.336	140.11299	627	120	48	11	122	46
Artemisinin	2-aminobenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1c(N)cccc1	3.8050928	1.8702676	-88182.25	-42454.48	-667016.75	-185919.45	-154.65057	-72.664513	-10.56012	-8.6809797	10.56012	8.6809797	0.87564999	-0.24627	45.079445	19.691551	456.67719	305.10773	0	0	0	0	456.67719	305.10773	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	17	0	3	4	5	20	10	12	6	58.156837	28.183899	1.3846866	1.6578765	0	0	0	0	15	7	0	0	0	0	22	7	0	0	0	1	5	2	0	0	0	0	1.8182865	2.4522195	-2.8763011	-2.2257819	-0.46847317	-0.59424585	0.48142555	0.65435815	2.9546874	2.2051375	-2.9138391	-2.3451076	-0.40296918	-0.50715613	0.52481794	0.72391689	2.9398463	2.3097734	-2.6583734	-1.8886629	-0.33618459	-0.43132955	0.60764611	0.78920317	3.1623287	2.5302718	30.756554	7.950449	0	1	0	0.1	0	6	45	17	1	1	23	10	3	2	0	1	0	0.1	44	10	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.2422132	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.7152143	7.713058	2.7937562	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.0713906	0.76930565	0.77186263	7	5	0	0	0	0	0	0	0	0	67.720932	11.882461	15.392588	5.2541871	-3.2059937	-12.142561	10.423069	-7.1354923	0.004222634	7.66E-05	0	0	2.59E+12	1.76E+12	-9.7782021	-1.5653607	2.59E+12	1.76E+12	-3.9392874	-13.181899	0	0	8.5961571	4.1367579	13.212008	15.999376	33.304897	9.6269312	13.629063	5.0070691	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.80815661	-0.38651478	-0.44099873	-0.01928976	0.11981144	3.1303203	2.0233982	-0.89714968	-1.3344121	-0.31035468	-0.31003183	-0.002505066	0.18864295	3.1423492	2.1306241	-0.53425395	-0.40645686	-0.21040775	-0.22021709	0.10722204	0.22727992	3.3267074	2.3249345	0.21797732	0.018886067	6.1551886	3.1770711	6.7819748	7.2799649	6.7819748	1.1760571	0.72404015	0.36359277	0.72404015	0.62380129	-2.328289	-1.1724628	0	0	0.95388722	4.4804263	7.165029	3.7950916	0	-0.98924792	14	5.0361872	14	14	1	1.061231	0	2.7022099	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	1.9911112	13.022482	5.2554688	4.0571489	2.0894046	1.6103241	1.1643749	2.6417074	1.09808	5	3	0	3	1	1	0	0	3.582	0.90899998	-3.4716799	-1.07516	3.2725534	1.8446927	-88505.227	-42564.742	-655666.63	-184861.63	-124.02571	-66.260918	-10.87649	-9.1402903	10.87649	9.1402903	0.70187002	-0.21468	7.0486565	3.7460229	0	0	1	1	0.54197603	0.35185105	0.76507992	0.68967968	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1003499	-1.578668	-1.1003499	0.169572	0.26604795	0.19891214	0.29758841	98.274422	6.6995511	4.2653861	19.270084	0	17.238026	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	24.509808	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	14.418659	0.78448415	0.63497496	0.47116494	0.53017259	0.10538135	0.19267774	0.21551585	0.36502501	0.52883506	0.46982741	0.1101345	0.17234728	192.12025	92.22728	115.38834	77.005196	25.807903	27.98558	52.779854	53.018253	129.51176	68.240334	26.971952	25.032671	0.42857143	0.40000001	0.75	0.66666669	3.6450274	1.567044	-82636.43	-38905.734	-653627.19	-180499.42	-158.23212	-67.67437	-10.78035	-8.8607302	10.78035	8.8607302	-0.15042999	-0.31031001	2210.6523	637.51495	1038.6576	219.74718	1466.22	430.73666	1916.4272	624.54602	1121.4878	270.51535	776.37323	351.68195	312.79126	15.31763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	145.24553	0	0	0	0	0	0	244.9001	145.24553	0	0	4	3	1	0	2.7981894	2.1560869	4	1	0	0	0	0	0.1	0.69999999	2.3949001	0.96700001	0	32.897186	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	3.7813699	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	3.185575	0	2.7567475	75.473625	103.46992	7.7454643	7.7454643	99.978043	0	2.4099162	1.9412261	1.8617485	1.6122683	1.1251426	0.26677608	53.990002	63.32	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.1508632	8.4195395	6.3392239	244.9001	145.24553	367.00107	177.67151	263.25	128	281.14902	152.8701	30.537619	0	0	0	0	0	0	17.742489	160.29349	72.142067	33.029301	14.708499	30.537619	44.876331	5.3953252	4.5642428	0.23970899	0.1270265	2.6517773	3.0349832	1.7756623	2.4157138	0.80558389	1.4106352	0.39811906	0.73106235	0.18423676	0.38597935	0.050205711	0.11208623	0.004379716	0.003856244	0	0	578.125	381.5	340.375	213.125	271.25	156.25	245	133.625	218.5	114.875	157.125	93	79.625	49.5	31.75	21.625	7.228416	0.5	7.1763501	1.8708287	0.5	1.6583124	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.1963334	-2.2559736	-2.1713998	-2.2545061	-2.1259847	-5.4111814	-5.2711887	-5.3114209	-5.0976734	-5.095974	-5.0094485	1.2020918	1.1555315	230.75	150	274.625	182.75	173.75	131.5	66.125	60.5	24.25	25.75	5.75	7.375	0.5	0.375	0	0	0.089400925	0.2032	0.023469388	0.061739944	1.1877036	1.4094908	1.0598711	1.2912601	1.0759208	1.4732922	1.2929488	1.7919354	1.5141792	2.0148771	1.8226515	1.9865204	1.5276124	1.0077485	1.2021793	0.26915452	0.81477576	0.61110789	2.2796693	1.5868884	3.7727251	2.2980375	4.1858115	2.7796276	4.3511286	3.0924757	4.5800614	3.7266517	5.3393946	4.9489498	0	0	1.4401109	1.2451557	407.4339	270.54849	586.75	336.875	831.625	713.125	411	425.5	177.75	210.625	66.125	82.625	24.25	31.75	5.75	8.25	0.5	0.375	0	0	600.875	563.125	136.375	242.75	4	79.125	0	22.125	0	6	0	0.875	0	0	0	0	282.336	137.138	627	114	48	12	122	46
Artemisinin	3-aminobenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1cc(N)ccc1	3.8050928	2.8235953	-88182.25	-42450.945	-667016.75	-182610.55	-154.65057	-69.129768	-10.56012	-8.8744297	10.56012	8.8744297	0.87564999	-0.37266001	45.079445	19.691551	456.67719	307.95233	0	0	0	0	456.67719	307.95233	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	17	0	3	4	5	20	10	12	6	58.156837	28.183899	1.3846866	1.6578765	0	0	0	0	15	7	0	0	0	0	22	7	0	0	0	1	5	2	0	0	0	0	1.8182865	2.3725212	-2.8763011	-2.2243841	-0.46847317	-0.60842574	0.48142555	0.6635344	2.9546874	2.194077	-2.9138391	-2.3323245	-0.40296918	-0.52041966	0.52481794	0.7329824	2.9398463	2.3085787	-2.6583734	-1.8851075	-0.33618459	-0.44178835	0.60764611	0.80050927	3.1623287	2.5197377	30.756554	7.950449	0	1	0	0.1	0	6	45	17	1	1	23	10	3	2	0	1	0	0.1	44	10	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.2422132	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.7877734	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.0630852	0.76930565	0.77186263	7	5	0	0	0	0	0	0	0	0	67.720932	-3.5188699	15.392588	5.1283588	-3.2059937	-25.130825	10.423069	-19.734068	0.004222634	-1.07E-14	0	0	2.59E+12	3.93E+11	-9.7782021	-2.1319139	2.59E+12	3.93E+11	-3.9392874	-13.772816	0	0	8.5961571	3.9759228	13.212008	13.154058	33.304897	7.1109176	13.629063	5.3967566	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81248587	-0.38651478	-0.45185375	-0.01928976	0.13860972	3.1303203	2.0153043	-0.89714968	-1.334286	-0.31035468	-0.35029814	-0.002505066	0.19603482	3.1423492	2.1265452	-0.53425395	-0.40850979	-0.21040775	-0.2271615	0.10722204	0.23892207	3.3267074	2.3171277	0.21797732	0	6.1551886	3.269845	6.7819748	6.923811	6.7819748	1.3208628	0.72404015	0.40784252	0.72404015	0.67444617	-2.328289	-1.1955163	0	0	0.95388722	4.4573636	7.165029	3.7919948	0	-0.99421871	14	4.7645416	14	14	1	1.0361959	0	3.0721152	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.2554688	4.0571489	2.0894046	1.6103241	1.336655	2.6417074	1.09808	5	3	0	3	1	1	0	0	3.582	0.94800001	-3.4716799	-1.07516	3.2725534	1.6595087	-88505.227	-42565.363	-655666.63	-181809.77	-124.02571	-66.88147	-10.87649	-9.0825996	10.87649	9.0825996	0.70187002	-0.25091001	7.0486565	3.7422845	0	0	1	1	0.54197603	0.25764006	0.76507992	0.74235994	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.0728149	-1.578668	-1.0728149	0.169572	0.27151474	0.19891214	0.30526143	98.274422	8.9080906	4.2653861	17.061544	0	17.238026	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	36.764713	37.495354	12.254904	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	14.418659	0.78448415	0.63497496	0.47116494	0.53017259	0.10538135	0.19267774	0.21551585	0.36502501	0.52883506	0.46982741	0.1101345	0.17234728	192.12025	92.22728	115.38834	77.005196	25.807903	27.98558	52.779854	53.018253	129.51176	68.240334	26.971952	25.032671	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.4577556	-82636.43	-38906.242	-653627.19	-177505.06	-158.23212	-68.182098	-10.78035	-8.90376	10.78035	8.90376	-0.15042999	-0.47222999	2210.6523	726.69794	1038.6576	187.2265	1466.22	539.47144	1916.4272	726.69794	1121.4878	211.38631	776.37323	515.31165	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	145.24553	0	0	0	0	0	0	244.9001	145.24553	0	0	4	3	1	0	2.7981894	2.3019617	4	1	0	0	0	0	0.1	0	2.3949001	0.96700001	0	32.897186	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	3.7813699	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	3.185575	0	2.7567475	75.473625	103.46992	7.7454643	7.7454643	99.978043	0	2.4099162	2.1958089	1.8617485	1.4683417	1.1251426	0	53.990002	63.32	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.2245147	8.4195395	6.3255587	244.9001	145.24553	367.00107	177.67151	263.25	129	281.14902	156.02254	30.537619	0	0	0	0	0	0	17.742489	160.29349	72.142067	33.029301	14.708499	30.537619	44.876331	5.3953252	3.5392623	0.23970899	0.1304931	2.6517773	3.0948782	1.7756623	2.6385663	0.80558389	1.6105855	0.39811906	0.72747195	0.18423676	0.33414441	0.050205711	0.088530593	0.004379716	0.007518175	0	0	578.125	387.375	340.375	222	271.25	156.75	245	130.75	218.5	111.5	157.125	90.375	79.625	60.875	31.75	34.5	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	1.118034	0.70710677	0.5	0.70710677	1.2247449	-2.2570698	-2.1110818	-2.2559736	-2.084789	-2.2545061	-2.0673547	-5.4111814	-5.3455315	-5.3114209	-5.1439247	-5.095974	-5.1188793	1.2020918	1.1644319	230.75	161.375	274.625	195.375	173.75	140.375	66.125	53	24.25	20.375	5.75	6	0.5	0.625	0	0	0.089400925	0.18181819	0.023469388	0.052581262	1.1877036	1.0307541	1.0598711	0.97279978	1.0759208	1.031307	1.2929488	1.2106674	1.5141792	1.3224846	1.8226515	1.2855564	1.5276124	0.8422876	1.2021793	0.79268152	0.81477576	0.50145614	2.2796693	1.0152763	3.7727251	1.606954	4.1858115	2.1374953	4.3511286	2.5181036	4.5800614	3.5447412	5.3393946	5.3354154	0	0	1.4401109	1.2380788	407.4339	273.71036	586.75	338.875	831.625	758.625	411	464.875	177.75	224.125	66.125	79.875	24.25	28.5	5.75	6.875	0.5	0.625	0	0	600.875	597.25	136.375	269.5	4	83.75	0	26.875	0	8.125	0	0.875	0	0	0	0	282.336	137.138	627	117	48	11	122	46
Artemisinin	4-aminobenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1ccc(N)cc1	3.8050928	4.0504847	-88182.25	-42452.867	-667016.75	-181920.14	-154.65057	-70.638008	-10.56012	-8.9059801	10.56012	8.9059801	0.87564999	-0.25279999	45.079445	19.691551	456.67719	308.88821	0	0	0	0	456.67719	308.88821	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	17	0	3	4	5	20	10	12	6	58.156837	28.183899	1.3846866	1.6578765	0	0	0	0	15	7	0	0	0	0	22	7	0	0	0	1	5	2	0	0	0	0	1.8182865	2.3101141	-2.8763011	-2.223964	-0.46847317	-0.62573951	0.48142555	0.67825997	2.9546874	2.1908302	-2.9138391	-2.3297117	-0.40296918	-0.52494848	0.52481794	0.75860375	2.9398463	2.308213	-2.6583734	-1.8840221	-0.33618459	-0.46451047	0.60764611	0.82201415	3.1623287	2.5166364	30.756554	7.950449	0	1	0	0.1	0	6	45	17	1	1	23	10	3	2	0	1	0	0.1	44	10	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.2422132	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.7877734	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.045857	0.76930565	0.77186263	7	6	0	0	0	0	0	0	0	0	67.720932	0.019747263	15.392588	5.1323423	-3.2059937	-21.753401	10.423069	-16.358482	0.004222634	-1.91E-14	0	0	2.59E+12	2.09E+12	-9.7782021	-2.5087388	2.59E+12	2.09E+12	-3.9392874	-13.870193	0	0	8.5961571	3.9932096	13.212008	12.997119	33.304897	7.2526774	13.629063	5.3949175	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81289911	-0.38651478	-0.45636684	-0.01928976	0.13205342	3.1303203	2.0114808	-0.89714968	-1.3342681	-0.31035468	-0.32696947	-0.002505066	0.19589595	3.1423492	2.1242905	-0.53425395	-0.40779942	-0.21040775	-0.23028746	0.10722204	0.2393512	3.3267074	2.3133037	0.21797732	0	6.1551886	3.2420282	6.7819748	7.2391391	6.7819748	1.4276567	0.72404015	0.33934745	0.72404015	0.60905409	-2.328289	-1.1538885	0	0	0.95388722	4.4764018	7.165029	3.7945511	0	-0.98533946	14	5.172564	14	14	1	1.0794569	0	2.5173626	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.2554688	4.0571489	2.0894046	1.6103241	1.336655	2.6417074	1.09808	5	3	0	3	1	1	0	0	3.582	0.91100001	-3.4716799	-1.07516	3.2725534	3.0173845	-88505.227	-42564.711	-655666.63	-181238.53	-124.02571	-66.230087	-10.87649	-9.1469202	10.87649	9.1469202	0.70187002	-0.47637001	7.0486565	3.7422845	0	1	1	1	0.54197603	0.17291833	0.76507992	0.82708168	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.0707543	-1.578668	-1.0707543	0.169572	0.27199236	0.19891214	0.30584934	98.274422	8.9080906	4.2653861	17.061544	0	17.238026	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	14.418659	0.78448415	0.63497496	0.47116494	0.53017259	0.10538135	0.19267774	0.21551585	0.36502501	0.52883506	0.46982741	0.1101345	0.17234728	192.12025	92.22728	115.38834	77.005196	25.807903	27.98558	52.779854	53.018253	129.51176	68.240334	26.971952	25.032671	0.42857143	0.5	0.75	1	3.6450274	3.2461085	-82636.43	-38907.234	-653627.19	-176835.44	-158.23212	-69.177269	-10.78035	-8.9711599	10.78035	8.9711599	-0.15042999	-0.45027	2210.6523	770.69543	1038.6576	133.26738	1466.22	637.42804	1916.4272	770.69543	1121.4878	234.86349	776.37323	535.83197	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	145.24553	0	0	0	0	0	0	244.9001	145.24553	0	0	4	3	1	0	2.7981894	2.3706229	4	1	0	0	0	0	0.1	0.69999999	2.3949001	0.96700001	0	32.897186	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	3.7813699	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	3.185575	0	2.7567475	75.473625	103.46992	7.7454643	7.7454643	99.978043	0	2.4099162	2.3353014	1.8617485	1.3196912	1.1251426	0	53.990002	63.32	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.3442218	8.4195395	6.3056221	244.9001	145.24553	367.00107	177.67151	263.25	131.125	281.14902	155.002	30.537619	0	0	0	0	0	0	17.742489	160.29349	72.142067	33.029301	14.708499	30.537619	44.876331	5.3953252	2.3384914	0.23970899	0.150443	2.6517773	3.1309018	1.7756623	2.8100748	0.80558389	1.6948563	0.39811906	0.69907188	0.18423676	0.2994253	0.050205711	0.047826093	0.004379716	0.005983073	0	0	578.125	383.625	340.375	223	271.25	158.25	245	128.125	218.5	103.25	157.125	85.625	79.625	60.75	31.75	36.5	7.228416	0.5	7.1763501	6.5192022	0.5	6.5	0.70710677	1	0.70710677	1.118034	0.70710677	0.5	-2.2570698	-2.0921612	-2.2559736	-2.0799642	-2.2545061	-2.0517123	-5.4111814	-5.3155527	-5.3114209	-5.2474322	-5.095974	-5.1388597	1.2020918	1.1727194	230.75	165.875	274.625	216.5	173.75	146.125	66.125	46.875	24.25	17	5.75	2.25	0.5	0.625	0	0	0.089400925	0.16192733	0.023469388	0.027317073	1.1877036	0.69692993	1.0598711	0.73060381	1.0759208	0.748124	1.2929488	0.79286695	1.5141792	0.80904996	1.8226515	0.83284754	1.5276124	0.77597016	1.2021793	0.7875818	0.81477576	0.17122865	2.2796693	0.14983687	3.7727251	0.59652144	4.1858115	1.2198519	4.3511286	1.5963459	4.5800614	3.8181264	5.3393946	5.6351671	0	0	1.4401109	1.2235585	407.4339	273.07642	586.75	334.125	831.625	771.875	411	490.125	177.75	226.875	66.125	73.25	24.25	25.625	5.75	3.5	0.5	0.625	0	0	600.875	606	136.375	273.625	4	80.75	0	26.375	0	8.625	0	1.25	0	0	0	0	282.336	137.138	627	120	48	11	122	46
Artemisinin	2-methoxybenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1c(OC)cccc1	3.8050928	3.1574333	-88182.25	-48324.402	-667016.75	-221177.33	-154.65057	-102.34621	-10.56012	-9.3670101	10.56012	9.3670101	0.87564999	-0.38256001	45.079445	21.820345	456.67719	327.28217	0	0	0	0	456.67719	327.28217	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	19	0	2	4	5	20	11	12	7	58.156837	27.955736	1.3846866	1.4713545	0	0	0	0	15	8	0	0	0	0	22	8	0	0	0	0	5	3	0	0	0	0	1.8182865	2.4881821	-2.8763011	-2.2511232	-0.46847317	-0.62891197	0.48142555	0.63345999	2.9546874	2.2366581	-2.9138391	-2.2597575	-0.40296918	-0.55017483	0.52481794	0.73633301	2.9398463	2.3484578	-2.6583734	-1.9703829	-0.33618459	-0.44316489	0.60764611	0.81056511	3.1623287	2.5265718	30.756554	11.619656	0	2	0	0.18181819	0	6	45	19	1	1	23	11	3	2	0	2	0	0.18181819	44	12	0	0	0	0	0	0	14.120955	8.2675848	12.25642	6.0731111	10.215178	4.809401	10.292529	5.5604777	9.4617796	5.2532187	7.713058	3.1174536	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.063979	0.76930565	0.76807731	7	5	0	0	0	0	0	0	0	0	67.720932	23.69462	15.392588	5.4289856	-3.2059937	-6.9940023	10.423069	7.835784	0.004222634	3.23E-14	0	0	2.59E+12	3.05E+09	-9.7782021	-4.1448755	2.59E+12	3.05E+09	-3.9392874	-12.710287	0	0	8.5961571	3.426358	13.212008	20.13913	33.304897	7.0034924	13.629063	14.829786	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.78573012	-0.38651478	-0.45487303	-0.01928976	0.062414531	3.1303203	2.0656576	-0.89714968	-0.88776058	-0.31035468	-0.34250471	-0.002505066	0.15613264	3.1423492	2.1825528	-0.53425395	-0.48360059	-0.21040775	-0.21768676	0.10722204	0.17267431	3.3267074	2.3459651	0.21797732	0.019303005	6.1551886	3.1315875	6.7819748	5.8998499	6.7819748	3.0536287	0.72404015	1.0414505	0.72404015	1.3450027	-2.328289	-1.6396352	0	0	0.95388722	4.4173875	7.165029	4.089179	0	-0.99641997	14	4.5554442	14	14	1	1.0240217	0	3.3578286	13.648394	9.090909	4.2631578	4.1326532	1.6952908	2.2145329	13.022482	6.5231295	4.0571489	2.8546913	1.6103241	1.4780163	2.6417074	1.6928656	5	3	0	1	1	1	0	0	3.582	1.5369999	-3.4716799	-1.40466	3.2725534	2.7926965	-88505.227	-48481.934	-655666.63	-220130.25	-124.02571	-101.58044	-10.87649	-9.2286301	10.87649	9.2286301	0.70187002	-0.48047	7.0486565	4.0857267	0	0	1	1	0.54197603	0.44416329	0.76507992	0.56017053	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.1313336	-1.578668	-1.1313336	0.169572	0.25964084	0.19891214	0.30683586	98.274422	24.997658	4.2653861	40.524761	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	24.509808	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	10.271297	0.78448415	0.7009362	0.47116494	0.44585112	0.10538135	0.14587718	0.21551585	0.2990638	0.52883506	0.55414891	0.1101345	0.1531866	192.12025	114.54204	115.38834	72.857834	25.807903	23.838217	52.779854	48.870888	129.51176	90.555092	26.971952	25.032671	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.856827	-82636.43	-45012.008	-653627.19	-216300.42	-158.23212	-100.15726	-10.78035	-9.4291296	10.78035	9.4291296	-0.15042999	-0.45504001	2210.6523	791.20441	1038.6576	350.66409	1466.22	442.25107	1916.4272	789.49365	1121.4878	415.52991	776.37323	373.84937	312.79126	1.8251319	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	163.41292	0	0	0	0	0	0	244.9001	163.41292	0	0	4	3	1	0	2.7981894	2.2803936	4	1	0	0	0	0	0.1	0.72727275	2.3949001	1.3934	0	10.999887	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	35.383869	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	3.9953301	73.293228	23.862217	0	10.999887	17.643185	25.385227	8.5265026	8.4290028	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	35.383869	2.4099162	2.0663366	1.8617485	1.7645204	1.1251426	0.28708699	53.990002	46.529999	0.51481563	0.68403846	5.523562	4.4594316	2.5399911	2.2482128	8.4195395	6.6247077	244.9001	163.41292	367.00107	198.09073	263.25	143	281.14902	167.94308	30.537619	2.503756	0	0	0	0	0	0	160.29349	109.55946	33.029301	14.708499	30.537619	29.637598	5.3953252	5.1111073	0.23970899	0.23003766	2.6517773	2.86061	1.7756623	2.0033534	0.80558389	1.1049311	0.39811906	0.47816193	0.18423676	0.23604259	0.050205711	0.089371555	0.004379716	0.009937301	0	0	578.125	464.25	340.375	261.25	271.25	199.75	245	179.25	218.5	160.375	157.125	122	79.625	64.25	31.75	31.75	7.228416	0.5	7.1763501	2	0.5	1.5	0.70710677	0.5	0.70710677	0.70710677	0.70710677	1.118034	-2.2570698	-2.1626208	-2.2559736	-2.1466377	-2.2545061	-2.1210837	-5.4111814	-5.4193163	-5.3114209	-5.3647571	-5.095974	-5.3303561	1.2020918	1.1698717	230.75	170.875	274.625	198.875	173.75	141.75	66.125	54.875	24.25	21.375	5.75	7.75	0.5	0.75	0	0	0.089400925	0.11138923	0.023469388	0.043235704	1.1877036	1.1539232	1.0598711	1.1115481	1.0759208	1.2038478	1.2929488	1.4218197	1.5141792	1.6339142	1.8226515	1.7205881	1.5276124	1.1415124	1.2021793	0.51193792	0.81477576	0.57301962	2.2796693	1.9471911	3.7727251	3.0087571	4.1858115	3.6416967	4.3511286	3.9495811	4.5800614	4.3131318	5.3393946	5.1684556	0	0	1.4401109	1.2708062	407.4339	292.4325	586.75	371.625	831.625	679.375	411	343.25	177.75	160.625	66.125	58.375	24.25	22.25	5.75	7.75	0.5	0.75	0	0	600.875	508.5	136.375	144.375	4	18.875	0	3.5	0	0.875	0	0	0	0	0	0	282.336	152.149	627	150	48	14	122	50
Artemisinin	3-methoxybenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1cc(OC)ccc1	3.8050928	2.1607454	-88182.25	-48327.379	-667016.75	-217159.03	-154.65057	-105.00012	-10.56012	-9.3951397	10.56012	9.3951397	0.87564999	-0.50316	45.079445	21.820345	456.67719	332.83936	0	0	0	0	456.67719	332.83936	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	19	0	2	4	5	20	11	12	7	58.156837	27.955736	1.3846866	1.4713545	0	0	0	0	15	8	0	0	0	0	22	8	0	0	0	0	5	3	0	0	0	0	1.8182865	2.3716021	-2.8763011	-2.2502959	-0.46847317	-0.62943429	0.48142555	0.64335066	2.9546874	2.2220354	-2.9138391	-2.2509913	-0.40296918	-0.55103028	0.52481794	0.71053165	2.9398463	2.3467748	-2.6583734	-1.9672123	-0.33618459	-0.42657	0.60764611	0.80596524	3.1623287	2.5173752	30.756554	11.619656	0	2	0	0.18181819	0	6	45	19	1	1	23	11	3	2	0	2	0	0.18181819	44	12	0	0	0	0	0	0	14.120955	8.2675848	12.25642	6.0731111	10.215178	4.809401	10.292529	5.5604777	9.4617796	5.236382	7.713058	3.1114707	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.0630498	0.76930565	0.76807731	7	6	0	0	0	0	0	0	0	0	67.720932	12.824686	15.392588	5.3133817	-3.2059937	-15.592318	10.423069	-3.8112648	0.004222634	0.000249591	0	0	2.59E+12	5.04E+11	-9.7782021	-4.885263	2.59E+12	5.04E+11	-3.9392874	-9.6909275	0	0	8.5961571	3.3902967	13.212008	16.627472	33.304897	7.932023	13.629063	11.781053	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.78871047	-0.38651478	-0.46836436	-0.01928976	0.071942084	3.1303203	2.054704	-0.89714968	-0.88700759	-0.31035468	-0.39612186	-0.002505066	0.15877338	3.1423492	2.1763473	-0.53425395	-0.48330703	-0.21040775	-0.21785948	0.10722204	0.18108861	3.3267074	2.3372076	0.21797732	0.019178271	6.1551886	3.2094586	6.7819748	5.9829812	6.7819748	3.1417384	0.72404015	1.0063033	0.72404015	1.2851322	-2.328289	-1.5992471	0	0	0.95388722	4.400394	7.165029	4.0868974	0	-0.99604809	14	4.5985265	14	14	1	1.0261482	0	3.2989113	13.648394	9.090909	4.2631578	4.1326532	1.6952908	2.5	13.022482	6.5231295	4.0571489	2.8546913	1.6103241	1.6685418	2.6417074	1.6928656	5	3	0	1	1	1	0	0	3.582	1.576	-3.4716799	-1.40466	3.2725534	2.1354787	-88505.227	-48484.105	-655666.63	-215672.8	-124.02571	-103.76401	-10.87649	-9.2091799	10.87649	9.2091799	0.70187002	-0.56172001	7.0486565	4.0819883	0	0	1	1	0.54197603	0.31464759	0.76507992	0.68898523	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.0925919	-1.578668	-1.0925919	0.169572	0.26662898	0.19891214	0.31840932	98.274422	27.206198	4.2653861	38.316223	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	36.764713	37.495354	12.254904	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	10.271297	0.78448415	0.7009362	0.47116494	0.44585112	0.10538135	0.14587718	0.21551585	0.2990638	0.52883506	0.55414891	0.1101345	0.1531866	192.12025	114.54204	115.38834	72.857834	25.807903	23.838217	52.779854	48.870888	129.51176	90.555092	26.971952	25.032671	0.42857143	0.5	0.75	1	3.6450274	2.1592958	-82636.43	-45015.559	-653627.19	-212287.98	-158.23212	-103.70963	-10.78035	-9.4424	10.78035	9.4424	-0.15042999	-0.53454	2210.6523	893.9718	1038.6576	280.77606	1466.22	614.81659	1916.4272	892.35095	1121.4878	292.03146	776.37323	600.23785	312.79126	1.7024596	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	163.41292	0	0	0	0	0	0	244.9001	163.41292	0	0	4	3	1	0	2.7981894	2.4239707	4	1	0	0	0	0	0.1	0.090909094	2.3949001	1.3934	0	10.999887	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	35.383869	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	3.9953301	73.293228	23.862217	0	10.999887	17.643185	25.385227	8.5265026	8.4290028	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	35.383869	2.4099162	2.067975	1.8617485	1.7646123	1.1251426	0.28638485	53.990002	46.529999	0.51481563	0.68403846	5.523562	4.4594316	2.5399911	2.4086046	8.4195395	6.6027679	244.9001	163.41292	367.00107	198.09073	263.25	143.125	281.14902	169.26813	30.537619	2.503756	0	0	0	0	0	0	160.29349	109.55946	33.029301	14.708499	30.537619	29.637598	5.3953252	4.6526527	0.23970899	0.24250837	2.6517773	2.9091244	1.7756623	2.2161102	0.80558389	1.3343885	0.39811906	0.53487939	0.18423676	0.20117687	0.050205711	0.053149614	0.004379716	0.002084447	0	0	578.125	423.875	340.375	243.25	271.25	182.875	245	156.125	218.5	125.75	157.125	93	79.625	51.5	31.75	28.5	7.228416	6.5192022	7.1763501	0.5	0.5	6.5	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.86602539	-2.2570698	-2.1148362	-2.2559736	-2.1107414	-2.2545061	-2.1074567	-5.4111814	-5.2262897	-5.3114209	-5.2119718	-5.095974	-4.9579058	1.2020918	1.1783911	230.75	196.75	274.625	261.125	173.75	170.75	66.125	56.25	24.25	17.25	5.75	4.5	0.5	0.25	0	0	0.089400925	0.099111415	0.023469388	0.028823059	1.1877036	0.71256977	1.0598711	0.6711812	1.0759208	0.85984683	1.2929488	0.99331605	1.5141792	1.0828745	1.8226515	0.97747338	1.5276124	0.56085849	1.2021793	0.28942308	0.81477576	0.50524002	2.2796693	1.1552228	3.7727251	1.7107339	4.1858115	2.5303166	4.3511286	3.8264737	4.5800614	5.054924	5.3393946	5.6704912	0	0	1.4401109	1.2664098	407.4339	296.80362	586.75	375.875	831.625	713	411	403.375	177.75	187.375	66.125	59.875	24.25	18.125	5.75	4.5	0.5	0.25	0	0	600.875	516.25	136.375	142.25	4	16.625	0	3.625	0	0.875	0	0	0	0	0	0	282.336	152.149	627	156	48	13	122	50
Artemisinin	4-methoxybenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1ccc(OC)cc1	3.8050928	3.5508871	-88182.25	-48328.68	-667016.75	-215069.89	-154.65057	-106.62489	-10.56012	-9.4773397	10.56012	9.4773397	0.87564999	-0.40463999	45.079445	21.820345	456.67719	333.41901	0	0	0	0	456.67719	333.41901	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	19	0	2	4	5	20	11	12	7	58.156837	27.955736	1.3846866	1.4713545	0	0	0	0	15	8	0	0	0	0	22	8	0	0	0	0	5	3	0	0	0	0	1.8182865	2.2813592	-2.8763011	-2.2500479	-0.46847317	-0.63945007	0.48142555	0.65272903	2.9546874	2.2176831	-2.9138391	-2.2489605	-0.40296918	-0.53807992	0.52481794	0.69683492	2.9398463	2.3462913	-2.6583734	-1.9663763	-0.33618459	-0.41864678	0.60764611	0.80024457	3.1623287	2.5146284	30.756554	11.619656	0	2	0	0.18181819	0	6	45	19	1	1	23	11	3	2	0	2	0	0.18181819	44	12	0	0	0	0	0	0	14.120955	8.2675848	12.25642	6.0731111	10.215178	4.809401	10.292529	5.5604777	9.4617796	5.236382	7.713058	3.1114707	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.0584278	0.76930565	0.76807731	7	7	0	0	0	0	0	0	0	0	67.720932	16.575975	15.392588	5.4562054	-3.2059937	-11.712344	10.423069	0.070090547	0.004222634	0.000192666	0	0	2.59E+12	1.32E+09	-9.7782021	-6.1862235	2.59E+12	1.32E+09	-3.9392874	-9.4307775	0	0	8.5961571	3.3286722	13.212008	16.637571	33.304897	7.7208147	13.629063	11.782434	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.78913039	-0.38651478	-0.45096987	-0.01928976	0.083411135	3.1303203	2.0495265	-0.89714968	-0.88680965	-0.31035468	-0.34336516	-0.002505066	0.16445385	3.1423492	2.1731272	-0.53425395	-0.48339725	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.3327622	0.21797732	0.012564219	6.1551886	3.2090039	6.7819748	6.0659175	6.7819748	3.267777	0.72404015	0.97750384	0.72404015	1.2700218	-2.328289	-1.586045	0	0	0.95388722	4.4141722	7.165029	4.0887475	0	-0.99350101	14	4.8156781	14	14	1	1.0399863	0	3.0023496	13.648394	9.090909	4.2631578	4.1326532	1.6952908	2.5	13.022482	6.5231295	4.0571489	2.8546913	1.6103241	1.6685418	2.6417074	1.6928656	5	3	0	1	1	1	0	0	3.582	1.539	-3.4716799	-1.40466	3.2725534	3.3272574	-88505.227	-48485.883	-655666.63	-213863.75	-124.02571	-105.30401	-10.87649	-9.2849903	10.87649	9.2849903	0.70187002	-0.49022999	7.0486565	4.0819883	0	0	1	1	0.54197603	0.14800239	0.76507992	0.85513669	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.0896252	-1.578668	-1.0896252	0.169572	0.26728249	0.19891214	0.31929502	98.274422	27.206198	4.2653861	38.316223	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	10.271297	0.78448415	0.7009362	0.47116494	0.44585112	0.10538135	0.14587718	0.21551585	0.2990638	0.52883506	0.55414891	0.1101345	0.1531866	192.12025	114.54204	115.38834	72.857834	25.807903	23.838217	52.779854	48.870888	129.51176	90.555092	26.971952	25.032671	0.42857143	0.42857143	0.75	0.75	3.6450274	3.3044326	-82636.43	-45016.66	-653627.19	-210358.31	-158.23212	-104.63957	-10.78035	-9.5180998	10.78035	9.5180998	-0.15042999	-0.45664001	2210.6523	1021.3279	1038.6576	150.92209	1466.22	872.00629	1916.4272	1019.7274	1121.4878	251.43427	776.37323	768.27417	312.79126	1.6194813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	163.41292	0	0	0	0	0	0	244.9001	163.41292	0	0	4	4	1	0	2.7981894	2.5908844	4	1	0	0	0	0	0.1	0.72727275	2.3949001	1.3934	0	10.999887	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	35.383869	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	3.9953301	73.293228	23.862217	0	10.999887	17.643185	25.385227	8.5265026	8.4290028	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	35.383869	2.4099162	2.554352	1.8617485	1.3203362	1.1251426	0.28631788	53.990002	46.529999	0.51481563	0.68403846	5.523562	4.4594316	2.5399911	2.5410447	8.4195395	6.5738969	244.9001	163.41292	367.00107	198.09073	263.25	143.75	281.14902	168.82259	30.537619	2.503756	0	0	0	0	0	0	160.29349	109.55946	33.029301	14.708499	30.537619	29.637598	5.3953252	5.2732921	0.23970899	0.23011217	2.6517773	2.9489603	1.7756623	2.304764	0.80558389	1.3859372	0.39811906	0.54140872	0.18423676	0.19918504	0.050205711	0.055058561	0.004379716	0.002110697	0	0	578.125	426.75	340.375	246.25	271.25	185.25	245	157.5	218.5	131	157.125	95	79.625	59.75	31.75	34.375	7.228416	6.5	7.1763501	0.5	0.5	6.5192022	0.70710677	0.5	0.70710677	1.118034	0.70710677	1.2247449	-2.2570698	-2.1016572	-2.2559736	-2.0780852	-2.2545061	-2.0722976	-5.4111814	-5.3577099	-5.3114209	-5.27703	-5.095974	-4.9581866	1.2020918	1.1770983	230.75	212.125	274.625	273.875	173.75	179.5	66.125	55.375	24.25	16.875	5.75	4.875	0.5	0.25	0	0	0.089400925	0.096491225	0.023469388	0.031746034	1.1877036	0.92673951	1.0598711	0.93176979	1.0759208	1.1992441	1.2929488	1.4596764	1.5141792	1.7185616	1.8226515	1.2064549	1.5276124	0.53066885	1.2021793	0.41722259	0.81477576	0.61663437	2.2796693	1.4657971	3.7727251	2.1147196	4.1858115	3.1490932	4.3511286	4.119379	4.5800614	5.5440536	5.3393946	5.786396	0	0	1.4401109	1.265407	407.4339	295.35953	586.75	373.75	831.625	733	411	425.375	177.75	194.5	66.125	59.5	24.25	17.875	5.75	5	0.5	0.25	0	0	600.875	520.875	136.375	151.5	4	15	0	4.125	0	1	0	0.125	0	0	0	0	282.336	152.149	627	162	48	13	122	50
Artemisinin	2-methylbenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1c(C)cccc1	3.8050928	2.0754995	-88182.25	-40947.34	-667016.75	-183842.44	-154.65057	-74.286819	-10.56012	-9.7182503	10.56012	9.7182503	0.87564999	-0.42807001	45.079445	21.018345	456.67719	310.29349	0	0	0	0	456.67719	310.29349	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	18	0	2	4	4	20	10	12	7	58.156837	25.058651	1.3846866	1.3921472	0	0	0	0	15	8	0	0	0	0	22	8	0	0	0	0	5	2	0	0	0	0	1.8182865	2.4522195	-2.8763011	-2.2797725	-0.46847317	-0.56033242	0.48142555	0.61995232	2.9546874	2.2670164	-2.9138391	-2.1894598	-0.40296918	-0.46596941	0.52481794	0.70075631	2.9398463	2.3782842	-2.6583734	-1.9935818	-0.33618459	-0.41206786	0.60764611	0.75466013	3.1623287	2.5643148	30.756554	9.7036562	0	1	0	0.1	0	6	45	18	1	1	23	10	3	2	0	1	0	0.1	44	11	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.6648631	10.215178	4.809401	10.292529	5.5604777	9.4617796	4.7152143	7.713058	3.0050812	6.0543661	2.5773504	6.0990243	3.5605135	7	0	7	0	0	0	0	0	1.0725014	1.0085185	0.76930565	0.72640705	7	5	0	0	0	0	0	0	0	0	67.720932	19.987438	15.392588	4.0141187	-3.2059937	-7.3988876	10.423069	6.5214858	0.004222634	2.79E-05	0	0	2.59E+12	3.45E+11	-9.7782021	-2.6635847	2.59E+12	3.45E+11	-3.9392874	-8.4712286	0	0	8.5961571	3.1056345	13.212008	16.3368	33.304897	6.3461704	13.629063	13.920373	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75107515	-0.38651478	-0.3916522	-0.01928976	0.089873739	3.1303203	2.0788174	-0.89714968	-0.85420024	-0.31035468	-0.27715388	-0.002505066	0.16344237	3.1423492	2.1849043	-0.53425395	-0.47890645	-0.21040775	-0.20201433	0.10722204	0.19390401	3.3267074	2.3655367	0.21797732	0.024352735	6.1551886	2.2959795	6.7819748	4.9241247	6.7819748	2.0987177	0.72404015	1.5691592	0.72404015	1.8346711	-2.328289	-1.8587286	0	0	0.95388722	4.2130008	7.165029	3.881639	0	-0.99526489	14	4.6773944	14	14	1	1.0305265	0	3.191117	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	1.9911112	13.022482	5.5951948	4.0571489	2.2441437	1.6103241	1.2599444	2.6417074	1.2556422	5	2	0	1	1	1	0	0	3.582	1.8789999	-3.4716799	-1.8282	3.2725534	2.0656672	-88505.227	-41061.328	-655666.63	-182549.69	-124.02571	-70.775902	-10.87649	-9.61905	10.87649	9.61905	0.70187002	-0.42188999	7.0486565	3.9064074	0	0	1	1	0.54197603	0.34902626	0.76507992	0.65637058	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.8926658	-1.578668	-0.8926658	0.169572	0.32653949	0.19891214	0.36685961	98.274422	15.004698	4.2653861	17.061544	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	33.211121	37.495354	36.764713	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.68757242	0.47116494	0.6152603	0.10538135	0.14375429	0.21551585	0.31242761	0.52883506	0.3847397	0.1101345	0.16867331	192.12025	102.04208	115.38834	91.310295	25.807903	21.334461	52.779854	46.367134	129.51176	57.098915	26.971952	25.032671	0.42857143	0.40000001	0.75	0.66666669	3.6450274	1.8891366	-82636.43	-38253.258	-653627.19	-179469.69	-158.23212	-73.368767	-10.78035	-9.7938099	10.78035	9.7938099	-0.15042999	-0.37024	2210.6523	639.83118	1038.6576	222.7169	1466.22	418.83618	1916.4272	638.10931	1121.4878	279.03186	776.37323	359.04367	312.79126	1.7556747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	148.40921	0	0	0	0	0	0	244.9001	148.40921	0	0	4	3	1	0	2.7981894	2.1678233	4	1	0	0	0	0	0.1	0	2.3949001	1.69322	0	0	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	30.233366	0	0	0	0	0	70.572739	75.473625	0	99.978043	33.326015	6.8046999	3.8138299	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	6.37115	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	33.326015	2.4099162	1.8932508	1.8617485	1.6978197	1.1251426	0.29544866	53.990002	37.299999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.1508632	8.4195395	6.3392239	244.9001	148.40921	367.00107	187.42935	263.25	135	281.14902	157.06467	30.537619	0	0	0	0	0	0	0	160.29349	97.059509	33.029301	14.708499	30.537619	27.133842	5.3953252	5.5805168	0.23970899	0.35614181	2.6517773	2.9065828	1.7756623	2.1691134	0.80558389	1.0694467	0.39811906	0.3900691	0.18423676	0.15779102	0.050205711	0.047549129	0.004379716	0.004625205	0	0	578.125	435.875	340.375	246	271.25	183.125	245	158.75	218.5	128.25	157.125	100.75	79.625	51.875	31.75	24.625	7.228416	6.5954528	7.1763501	1.118034	0.5	6.5	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-2.0997777	-2.2559736	-2.0973504	-2.2545061	-2.0967	-5.4111814	-5.3786516	-5.3114209	-5.3726673	-5.095974	-5.1760702	1.2020918	1.1370149	230.75	156.375	274.625	206.625	173.75	118.625	66.125	37.875	24.25	13.375	5.75	4.125	0.5	0.5	0	0	0.089400925	0.079180889	0.023469388	0.026771653	1.1877036	1.176206	1.0598711	1.0688057	1.0759208	1.1692849	1.2929488	1.4372983	1.5141792	1.7653873	1.8226515	1.8103273	1.5276124	0.85320377	1.2021793	0.083212785	0.81477576	0.55269569	2.2796693	1.9401083	3.7727251	3.12429	4.1858115	4.0044117	4.3511286	4.4140959	4.5800614	5.0327959	5.3393946	4.9722948	0	0	1.4401109	1.2842474	407.4339	274.18784	586.75	352.125	831.625	636.875	411	327.375	177.75	135.25	66.125	41.625	24.25	14.5	5.75	4.25	0.5	0.5	0	0	600.875	480.5	136.375	120.75	4	16.625	0	3.75	0	1.125	0	0.125	0	0	0	0	282.336	136.14999	627	114	48	12	122	46
Artemisinin	3-methylbenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1cc(C)ccc1	3.8050928	2.3457303	-88182.25	-40948.426	-667016.75	-180549.94	-154.65057	-75.372688	-10.56012	-9.7344103	10.56012	9.7344103	0.87564999	-0.41685	45.079445	21.018345	456.67719	317.61407	0	0	0	0	456.67719	317.61407	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	18	0	2	4	4	20	10	12	7	58.156837	25.058651	1.3846866	1.3921472	0	0	0	0	15	8	0	0	0	0	22	8	0	0	0	0	5	2	0	0	0	0	1.8182865	2.3725212	-2.8763011	-2.2788603	-0.46847317	-0.58781713	0.48142555	0.63755804	2.9546874	2.2490211	-2.9138391	-2.1679499	-0.40296918	-0.49177468	0.52481794	0.69904935	2.9398463	2.3768134	-2.6583734	-1.9890242	-0.33618459	-0.41819134	0.60764611	0.77312249	3.1623287	2.5513504	30.756554	9.7036562	0	1	0	0.1	0	6	45	18	1	1	23	10	3	2	0	1	0	0.1	44	11	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.6648631	10.215178	4.809401	10.292529	5.5604777	9.4617796	4.6983771	7.713058	2.9990981	6.0543661	2.5713673	6.0990243	3.5436769	7	0	7	0	0	0	0	0	1.0725014	0.9928897	0.76930565	0.72640705	7	5	0	0	0	0	0	0	0	0	67.720932	7.792253	15.392588	3.9879444	-3.2059937	-11.523096	10.423069	-5.6796594	0.004222634	-1.23E-14	0	0	2.59E+12	8.05E+10	-9.7782021	-2.7728186	2.59E+12	8.05E+10	-3.9392874	-9.4918451	0	0	8.5961571	3.0237281	13.212008	11.097814	33.304897	6.4602399	13.629063	5.8434367	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75899488	-0.38651478	-0.41007844	-0.01928976	0.10367339	3.1303203	2.0669293	-0.89714968	-0.85414499	-0.31035468	-0.29831246	-0.002505066	0.1732959	3.1423492	2.1786354	-0.53425395	-0.47910434	-0.21040775	-0.21368495	0.10722204	0.20724915	3.3267074	2.3551476	0.21797732	0.017204659	6.1551886	2.2947936	6.7819748	4.9187646	6.7819748	2.0916965	0.72404015	1.5755579	0.72404015	1.8365581	-2.328289	-1.85755	0	0	0.95388722	4.2130013	7.165029	3.881639	0	-0.99534577	14	4.6698728	14	14	1	1.03008	0	3.2013936	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.5951948	4.0571489	2.2441437	1.6103241	1.4463648	2.6417074	1.2556422	5	2	0	1	1	1	0	0	3.582	1.918	-3.4716799	-1.8282	3.2725534	2.2537937	-88505.227	-41063.898	-655666.63	-179690.89	-124.02571	-73.346039	-10.87649	-9.6451597	10.87649	9.6451597	0.70187002	-0.52237999	7.0486565	3.902669	0	0	1	1	0.54197603	0.26179397	0.76507992	0.74254757	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.89071107	-1.578668	-0.89071107	0.169572	0.32697934	0.19891214	0.36767191	98.274422	15.004698	4.2653861	17.061544	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	45.466026	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.68757242	0.47116494	0.6152603	0.10538135	0.14375429	0.21551585	0.31242761	0.52883506	0.3847397	0.1101345	0.16867331	192.12025	102.04208	115.38834	91.310295	25.807903	21.334461	52.779854	46.367134	129.51176	57.098915	26.971952	25.032671	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.2536807	-82636.43	-38255.441	-653627.19	-176494	-158.23212	-75.553513	-10.78035	-9.8126602	10.78035	9.8126602	-0.15042999	-0.49136001	2210.6523	729.58112	1038.6576	190.58623	1466.22	540.57526	1916.4272	728.00079	1121.4878	212.19759	776.37323	515.80316	312.79126	1.5804119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	148.40921	0	0	0	0	0	0	244.9001	148.40921	0	0	4	3	1	0	2.7981894	2.3148773	4	1	0	0	0	0	0.1	0	2.3949001	1.69322	0	0	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	30.233366	0	0	0	0	0	70.572739	75.473625	0	99.978043	33.326015	6.8046999	3.8138299	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	6.37115	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	33.326015	2.4099162	2.249748	1.8617485	1.4591824	1.1251426	0.29509166	53.990002	37.299999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.2245147	8.4195395	6.3255587	244.9001	148.40921	367.00107	187.42935	263.25	137.125	281.14902	160.46295	30.537619	0	0	0	0	0	0	0	160.29349	97.059509	33.029301	14.708499	30.537619	27.133842	5.3953252	5.4185605	0.23970899	0.24381192	2.6517773	2.8977411	1.7756623	2.0171468	0.80558389	1.1084774	0.39811906	0.46454155	0.18423676	0.19880664	0.050205711	0.048538003	0.004379716	0.005392788	0	0	578.125	426.125	340.375	243.125	271.25	188.125	245	166.625	218.5	148	157.125	105.625	79.625	55.625	31.75	28.5	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	1.118034	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.0585947	-2.2559736	-2.0443769	-2.2545061	-2.033746	-5.4111814	-5.2037349	-5.3114209	-5.1845617	-5.095974	-5.1748896	1.2020918	1.1645131	230.75	179	274.625	214.125	173.75	140.375	66.125	46.75	24.25	17.25	5.75	3.875	0.5	0.625	0	0	0.089400925	0.095016614	0.023469388	0.023255814	1.1877036	1.2504904	1.0598711	1.1990354	1.0759208	1.3696629	1.2929488	1.6648248	1.5141792	1.8764578	1.8226515	1.6103327	1.5276124	0.91204768	1.2021793	0.55457705	0.81477576	0.66302377	2.2796693	2.1146455	3.7727251	3.0531223	4.1858115	3.6885462	4.3511286	4.0723929	4.5800614	5.2195187	5.3393946	5.391602	0	0	1.4401109	1.2614437	407.4339	284.19815	586.75	358.5	831.625	662.5	411	344	177.75	155.25	66.125	50.625	24.25	17.875	5.75	3.875	0.5	0.625	0	0	600.875	483.5	136.375	129.875	4	14.875	0	3.875	0	0.625	0	0	0	0	0	0	282.336	136.14999	627	117	48	11	122	46
Artemisinin	4-methylbenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1ccc(C)cc1	3.8050928	2.7964301	-88182.25	-40948.895	-667016.75	-179797.78	-154.65057	-75.838829	-10.56012	-9.8258801	10.56012	9.8258801	0.87564999	-0.46404999	45.079445	21.018345	456.67719	320.60037	0	0	0	0	456.67719	320.60037	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	18	0	2	4	4	20	10	12	7	58.156837	25.058651	1.3846866	1.3921472	0	0	0	0	15	8	0	0	0	0	22	8	0	0	0	0	5	2	0	0	0	0	1.8182865	2.3101141	-2.8763011	-2.27864	-0.46847317	-0.60994148	0.48142555	0.6534192	2.9546874	2.2438807	-2.9138391	-2.1616442	-0.40296918	-0.51458442	0.52481794	0.71033216	2.9398463	2.3764119	-2.6583734	-1.9878585	-0.33618459	-0.42967278	0.60764611	0.79046726	3.1623287	2.5476093	30.756554	9.7036562	0	1	0	0.1	0	6	45	18	1	1	23	10	3	2	0	1	0	0.1	44	11	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.6648631	10.215178	4.809401	10.292529	5.5604777	9.4617796	4.6983771	7.713058	2.9990981	6.0543661	2.5713673	6.0990243	3.5436769	7	0	7	0	0	0	0	0	1.0725014	0.99926603	0.76930565	0.72640705	7	6	0	0	0	0	0	0	0	0	67.720932	7.6625547	15.392588	4.0178943	-3.2059937	-11.703471	10.423069	-5.8218293	0.004222634	4.68E-14	0	0	2.59E+12	1.30E+10	-9.7782021	-2.8278949	2.59E+12	1.30E+10	-3.9392874	-9.5515213	0	0	8.5961571	2.993613	13.212008	11.088458	33.304897	6.4728765	13.629063	5.8816419	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76092237	-0.38651478	-0.42253673	-0.01928976	0.10562832	3.1303203	2.061069	-0.89714968	-0.8541218	-0.31035468	-0.30489099	-0.002505066	0.17916173	3.1423492	2.1751938	-0.53425395	-0.47876453	-0.21040775	-0.22336918	0.10722204	0.21619597	3.3267074	2.349946	0.21797732	0.014920024	6.1551886	2.2947257	6.7819748	4.9204535	6.7819748	2.0932884	0.72404015	1.5752028	0.72404015	1.8361248	-2.328289	-1.8569556	0	0	0.95388722	4.2130013	7.165029	3.881639	0	-0.99534994	14	4.6694822	14	14	1	1.030057	0	3.2019267	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.5951948	4.0571489	2.2441437	1.6103241	1.4463648	2.6417074	1.2556422	5	2	0	1	1	1	0	0	3.582	1.881	-3.4716799	-1.8282	3.2725534	2.3255525	-88505.227	-41064.078	-655666.63	-178928.86	-124.02571	-73.524628	-10.87649	-9.7383804	10.87649	9.7383804	0.70187002	-0.59603	7.0486565	3.902669	0	0	1	1	0.54197603	0.17459813	0.76507992	0.8294971	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.89049762	-1.578668	-0.89049762	0.169572	0.32704854	0.19891214	0.36776012	98.274422	15.004698	4.2653861	17.061544	0	0	0	0	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	43.257484	37.495354	26.718348	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.68757242	0.47116494	0.6152603	0.10538135	0.14375429	0.21551585	0.31242761	0.52883506	0.3847397	0.1101345	0.16867331	192.12025	102.04208	115.38834	91.310295	25.807903	21.334461	52.779854	46.367134	129.51176	57.098915	26.971952	25.032671	0.42857143	0.5	0.75	1	3.6450274	2.6035209	-82636.43	-38255.641	-653627.19	-175803.05	-158.23212	-75.754318	-10.78035	-9.8654499	10.78035	9.8654499	-0.15042999	-0.52181	2210.6523	773.37054	1038.6576	134.75313	1466.22	640.19769	1916.4272	771.79022	1121.4878	252.89268	776.37323	518.8974	312.79126	1.5804119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	148.40921	0	0	0	0	0	0	244.9001	148.40921	0	0	4	3	1	0	2.7981894	2.3833344	4	1	0	0	0	0	0.1	0	2.3949001	1.69322	0	0	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	30.233366	0	0	0	0	0	70.572739	75.473625	0	99.978043	33.326015	6.8046999	3.8138299	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	6.37115	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	33.326015	2.4099162	2.4158368	1.8617485	1.2841228	1.1251426	0.29508856	53.990002	37.299999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.3442218	8.4195395	6.3056221	244.9001	148.40921	367.00107	187.42935	263.25	136.25	281.14902	159.22061	30.537619	0	0	0	0	0	0	0	160.29349	97.059509	33.029301	14.708499	30.537619	27.133842	5.3953252	5.8408322	0.23970899	0.2500667	2.6517773	2.9188821	1.7756623	2.0845656	0.80558389	1.1145234	0.39811906	0.45748779	0.18423676	0.19994889	0.050205711	0.043704011	0.004379716	0.007484135	0	0	578.125	432.375	340.375	246.25	271.25	187.75	245	165.625	218.5	146.875	157.125	107.5	79.625	59.75	31.75	30.25	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	1	0.70710677	0.5	0.70710677	1.118034	-2.2570698	-2.0467517	-2.2559736	-2.0392938	-2.2545061	-2.0254707	-5.4111814	-5.25459	-5.3114209	-5.2545552	-5.095974	-5.1517811	1.2020918	1.1657606	230.75	186.75	274.625	220.75	173.75	140.5	66.125	46.625	24.25	16.875	5.75	3.25	0.5	0.875	0	0	0.089400925	0.095872171	0.023469388	0.020377358	1.1877036	1.2561911	1.0598711	1.2327484	1.0759208	1.5230179	1.2929488	1.818468	1.5141792	2.0462432	1.8226515	1.5046934	1.5276124	0.83231711	1.2021793	0.59155208	0.81477576	0.71614516	2.2796693	2.1535623	3.7727251	3.2272201	4.1858115	3.9904416	4.3511286	4.3184867	4.5800614	5.2282104	5.3393946	5.6099572	0	0	1.4401109	1.2577461	407.4339	283.44354	586.75	356.5	831.625	671.125	411	351.5	177.75	154.625	66.125	50.375	24.25	18	5.75	3.375	0.5	0.875	0	0	600.875	484.375	136.375	130.75	4	14.125	0	3.75	0	1.125	0	0.125	0	0	0	0	282.336	136.14999	627	120	48	11	122	46
Artemisinin	2-nitrobenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=[N+]([O-])c1c(C(=O)N)cccc1	3.8050928	6.6256027	-88182.25	-54203.668	-667016.75	-251577.67	-154.65057	-6.9549298	-10.56012	-10.74602	10.56012	10.74602	0.87564999	-1.1318901	45.079445	20.926758	456.67719	322.53464	0	0	0	0	456.67719	322.53464	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	18	0	1	4	2	20	12	12	7	58.156837	33.142502	1.3846866	1.8412502	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	2	5	3	0	0	0	0	1.8182865	2.5854459	-2.8763011	-2.1676178	-0.46847317	-0.58470666	0.48142555	0.64413494	2.9546874	2.2776952	-2.9138391	-2.4576108	-0.40296918	-0.50321871	0.52481794	0.70968896	2.9398463	2.3234222	-2.6583734	-1.8986244	-0.33618459	-0.43669635	0.60764611	0.78885633	3.1623287	2.5275078	30.756554	8.1132421	0	2	0	0.16666667	0	6	45	18	1	2	23	12	3	2	0	2	0	0.16666667	44	10	0	0	0	0	0	0	14.120955	9.1378279	12.25642	6.0587096	10.215178	3.809401	10.292529	4.5604777	9.4617796	5.6258979	7.713058	3.1589048	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.1898729	0.76930565	0.86057937	7	5	0	0	0	0	0	0	0	0	67.720932	14.293278	15.392588	5.4124789	-3.2059937	-16.835554	10.423069	-5.8081474	0.004222634	0.000129204	0	0	2.59E+12	2.29E+09	-9.7782021	-3.4751968	2.59E+12	2.29E+09	-3.9392874	-17.98315	0	0	8.5961571	3.9738874	13.212008	12.146917	33.304897	10.71493	13.629063	11.027407	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.8160646	-0.38651478	-0.44559866	-0.01928976	0.090237387	3.1303203	2.1032467	-0.89714968	-1.3703469	-0.31035468	-0.27061343	-0.002505066	0.16303998	3.1423492	2.1583867	-0.53425395	-0.49122706	-0.21040775	-0.20506467	0.10722204	0.22058716	3.3267074	2.3523178	0.21797732	0.044073656	6.1551886	4.7687407	6.7819748	7.1835566	6.7819748	2.3787475	0.72404015	1.1213793	0.72404015	1.1213793	-2.328289	-1.890115	0	0	0.95388722	5.4585238	7.165029	4.2686186	0	0	14	14	14	14	1	1	0	0	13.648394	10.083333	4.2631578	4.296875	1.6952908	2.4930749	13.022482	6.4012899	4.0571489	2.5998101	1.6103241	1.4517874	2.6417074	1.3868449	5	5	0	2	1	1	0	0	3.582	0.78200001	-3.4716799	-2.4272299	3.2725534	6.4592452	-88505.227	-54342.645	-655666.63	-249873.31	-124.02571	3.5044701	-10.87649	-10.57882	10.87649	10.57882	0.70187002	-1.26643	7.0486565	4.1123996	0	1	1	1	0.54197603	0.49915338	0.76507992	0.57900065	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.308681	-1.578668	-1.308681	0.169572	0.21652886	0.19891214	0.27942193	98.274422	12.254904	4.2653861	21.089579	0	2.2085397	0	17.238026	12.263453	0	14.708499	19.649082	0	0	44.851616	12.254904	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	47.497971	2.503756	6.6511192	0.78448415	0.54823142	0.47116494	0.5565449	0.10538135	0.33148324	0.21551585	0.45176858	0.52883506	0.44345507	0.1101345	0.12028533	192.12025	89.555756	115.38834	90.913803	25.807903	54.14909	52.779854	73.798172	129.51176	72.440132	26.971952	19.649082	0.42857143	0.40000001	0.75	0.66666669	3.6450274	6.2563767	-82636.43	-48984.035	-653627.19	-243008.92	-158.23212	-19.508221	-10.78035	-10.04003	10.78035	10.04003	-0.15042999	-1.21279	2210.6523	851.1109	1038.6576	408.85794	1466.22	474.26108	1916.4272	819.10278	1121.4878	407.45297	776.37323	407.30618	312.79126	36.351753	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	163.35393	0	0	0	0	0	0	244.9001	163.35393	0	0	4	3	1	1	2.7981894	2.2633994	4	1	0	0	0	0	0.1	0.083333336	2.3949001	0.69370002	0	32.897186	7.7454643	12.344399	81.819725	0	0	50.935009	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	4.1614299	73.293228	30.947832	0	0	17.643185	50.935009	8.5265026	3.185575	0	35.653934	75.473625	70.572739	7.7454643	5.2587838	99.978043	0	2.4099162	1.9847109	1.8617485	1.6159436	1.1251426	0.41666481	53.990002	88.910004	0.51481563	0.65002245	5.523562	4.5849624	2.5399911	2.2819316	8.4195395	6.8899331	244.9001	163.35393	367.00107	193.05133	263.25	139.625	281.14902	166.9099	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	76.170105	33.029301	46.880581	30.537619	31.30941	5.3953252	5.0558538	0.23970899	0.123343	2.6517773	2.9921572	1.7756623	2.4681861	0.80558389	1.6658821	0.39811906	0.87965935	0.18423676	0.38592207	0.050205711	0.1280261	0.004379716	0.044424273	0	0.010351541	578.125	428.5	340.375	229.875	271.25	165.25	245	140	218.5	117.25	157.125	91.75	79.625	54	31.75	27.625	7.228416	1.8708287	7.1763501	0.5	0.5	1.5	0.70710677	0.70710677	0.70710677	0.5	0.70710677	0.5	-2.2570698	-2.2940843	-2.2559736	-2.2879503	-2.2545061	-2.2837274	-5.4111814	-6.5603542	-5.3114209	-6.4750438	-5.095974	-6.4028258	1.2020918	1.168588	230.75	160.875	274.625	221.625	173.75	192.75	66.125	84.375	24.25	29.5	5.75	10.25	0.5	3.75	0	0.875	0.089400925	0.22163388	0.023469388	0.08392857	1.1877036	1.5142655	1.0598711	1.5502462	1.0759208	1.7583662	1.2929488	2.0697594	1.5141792	2.3855202	1.8226515	2.4948964	1.5276124	1.5629469	1.2021793	0.85627556	0.81477576	0.60167998	2.2796693	1.5141116	3.7727251	2.1461599	4.1858115	2.6936998	4.3511286	3.3766644	4.5800614	4.0972476	5.3393946	5.150949	0	4.9618278	1.4401109	1.2784475	407.4339	294.98669	586.75	377.125	831.625	801.875	411	509.625	177.75	278	66.125	108.25	24.25	36.625	5.75	11.75	0.5	3.75	0	0.875	600.875	641	136.375	288	4	85.25	0	23.875	0	7.125	0	1.5	0	0	0	0	282.336	166.136	627	188	48	16	122	56
Artemisinin	3-nitrobenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=[N+]([O-])c1cc(C(=O)N)ccc1	3.8050928	1.6988782	-88182.25	-54207.766	-667016.75	-243884.5	-154.65057	-11.21342	-10.56012	-10.84908	10.56012	10.84908	0.87564999	-1.3331	45.079445	20.926758	456.67719	323.77954	0	0	0	0	456.67719	323.77954	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	18	0	1	4	2	20	12	12	7	58.156837	33.142502	1.3846866	1.8412502	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	2	5	3	0	0	0	0	1.8182865	2.4419808	-2.8763011	-2.173847	-0.46847317	-0.62150639	0.48142555	0.67570043	2.9546874	2.25317	-2.9138391	-2.4579301	-0.40296918	-0.55475259	0.52481794	0.71831417	2.9398463	2.3223822	-2.6583734	-1.8940754	-0.33618459	-0.46047983	0.60764611	0.82815611	3.1623287	2.5200059	30.756554	8.1132421	0	2	0	0.16666667	0	6	45	18	1	2	23	12	3	2	0	2	0	0.16666667	44	10	0	0	0	0	0	0	14.120955	9.1378279	12.25642	6.0587096	10.215178	3.809401	10.292529	4.5604777	9.4617796	5.6090608	7.713058	3.1529217	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.1782695	0.76930565	0.86057937	7	6	0	0	0	0	0	0	0	0	67.720932	24.679375	15.392588	5.3885832	-3.2059937	-0.70969123	10.423069	8.9730453	0.004222634	4.72E-14	0	0	2.59E+12	2.36E+12	-9.7782021	-2.6661816	2.59E+12	2.36E+12	-3.9392874	-14.872872	0	0	8.5961571	3.9061027	13.212008	7.9298868	33.304897	6.411644	13.629063	9.6827364	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81673664	-0.38651478	-0.45229775	-0.01928976	0.10782415	3.1303203	2.0880406	-0.89714968	-1.3703321	-0.31035468	-0.30003044	-0.002505066	0.17246847	3.1423492	2.1528516	-0.53425395	-0.49124217	-0.21040775	-0.21768905	0.10722204	0.22797954	3.3267074	2.3436308	0.21797732	0	6.1551886	4.8324347	6.7819748	7.4588933	6.7819748	2.7959349	0.72404015	1.0204688	0.72404015	1.0204688	-2.328289	-1.8200525	0	0	0.95388722	5.452817	7.165029	4.2678523	0	0	14	14	14	14	1	1	0	0	13.648394	10.083333	4.2631578	4.296875	1.6952908	2.7777777	13.022482	6.4012899	4.0571489	2.5998101	1.6103241	1.6175778	2.6417074	1.3868449	5	5	0	2	1	1	0	0	3.582	0.82099998	-3.4716799	-2.4272299	3.2725534	4.3118911	-88505.227	-54342.438	-655666.63	-242604.73	-124.02571	3.4693201	-10.87649	-10.63514	10.87649	10.63514	0.70187002	-1.46163	7.0486565	4.1086617	0	1	1	1	0.54197603	0.24669982	0.76507992	0.75330019	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.2539902	-1.578668	-1.2539902	0.169572	0.21679081	0.19891214	0.2917538	98.274422	26.718348	4.2653861	21.089579	0	0	0	17.238026	12.263453	12.949531	14.708499	6.6995511	0	0	44.851616	12.254904	37.495354	12.254904	0	0	7.2334704	0	7.2334704	0	16.070677	47.497971	2.503756	6.6511192	0.78448415	0.54823142	0.47116494	0.48152435	0.10538135	0.33148324	0.21551585	0.45176858	0.52883506	0.51847565	0.1101345	0.12028533	192.12025	89.555756	115.38834	78.658897	25.807903	54.14909	52.779854	73.798172	129.51176	84.69503	26.971952	19.649082	0.42857143	0.5	0.75	1	3.6450274	1.7068863	-82636.43	-48986.438	-653627.19	-236079.95	-158.23212	-22.33033	-10.78035	-10.13313	10.78035	10.13313	-0.15042999	-1.4018	2210.6523	1092.3618	1038.6576	269.48547	1466.22	822.8764	1916.4272	1092.3618	1121.4878	646.61633	776.37323	445.74557	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	163.35393	0	0	0	0	0	0	244.9001	163.35393	0	0	4	3	1	1	2.7981894	2.5641971	4	1	0	0	0	0	0.1	0.83333331	2.3949001	0.69370002	0	32.897186	7.7454643	12.344399	81.819725	0	0	50.935009	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	4.1614299	73.293228	30.947832	0	0	17.643185	50.935009	8.5265026	3.185575	0	35.653934	75.473625	70.572739	7.7454643	5.2587838	99.978043	0	2.4099162	2.1412246	1.8617485	1.5986793	1.1251426	0	53.990002	88.910004	0.51481563	0.65002245	5.523562	4.5849624	2.5399911	2.4735358	8.4195395	6.8644905	244.9001	163.35393	367.00107	193.05133	263.25	141	281.14902	166.01479	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	76.170105	33.029301	46.880581	30.537619	31.30941	5.3953252	3.694813	0.23970899	0.1511718	2.6517773	3.0448763	1.7756623	2.6669593	0.80558389	1.9885854	0.39811906	0.75326246	0.18423676	0.33807263	0.050205711	0.13816914	0.004379716	0.053839933	0	0.010915558	578.125	475.625	340.375	274.75	271.25	193.25	245	153	218.5	122.875	157.125	99.375	79.625	74.375	31.75	50.125	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-2.3575728	-2.2559736	-2.3566287	-2.2545061	-2.3411868	-5.4111814	-6.4468808	-5.3114209	-6.4282165	-5.095974	-6.37819	1.2020918	1.1805631	230.75	194.25	274.625	262.125	173.75	204.875	66.125	71.375	24.25	27.5	5.75	10.875	0.5	4.125	0	0.875	0.089400925	0.17464425	0.023469388	0.080065362	1.1877036	0.57567871	1.0598711	0.5267629	1.0759208	0.5408482	1.2929488	0.61664093	1.5141792	0.73467475	1.8226515	0.62274456	1.5276124	0.22062442	1.2021793	0.32326806	0.81477576	0.50560689	2.2796693	0.78861183	3.7727251	1.1112779	4.1858115	2.2359369	4.3511286	3.1721296	4.5800614	4.4620953	5.3393946	4.9775376	0	5.9688025	1.4401109	1.2664576	407.4339	298.47034	586.75	378	831.625	851.875	411	552.25	177.75	288	66.125	93.125	24.25	33.75	5.75	12.25	0.5	4.125	0	0.875	600.875	657.625	136.375	290.125	4	83.125	0	21.75	0	6.25	0	1.375	0	0	0	0	282.336	166.136	627	197	48	15	122	56
Artemisinin	4-nitrobenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=[N+]([O-])c1ccc(C(=O)N)cc1	3.8050928	4.8000274	-88182.25	-54207.488	-667016.75	-241813.5	-154.65057	-10.93392	-10.56012	-10.79514	10.56012	10.79514	0.87564999	-1.4876699	45.079445	20.926758	456.67719	324.35437	0	0	0	0	456.67719	324.35437	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	18	0	1	4	2	20	12	12	7	58.156837	33.142502	1.3846866	1.8412502	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	2	5	3	0	0	0	0	1.8182865	2.3313606	-2.8763011	-2.1757815	-0.46847317	-0.64740723	0.48142555	0.69959992	2.9546874	2.2460606	-2.9138391	-2.4579799	-0.40296918	-0.56862271	0.52481794	0.73025155	2.9398463	2.3220718	-2.6583734	-1.8926876	-0.33618459	-0.48018011	0.60764611	0.85949534	3.1623287	2.5178497	30.756554	8.1132421	0	2	0	0.16666667	0	6	45	18	1	2	23	12	3	2	0	2	0	0.16666667	44	10	0	0	0	0	0	0	14.120955	9.1378279	12.25642	6.0587096	10.215178	3.809401	10.292529	4.5604777	9.4617796	5.6090608	7.713058	3.1529217	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.1761841	0.76930565	0.86057937	7	7	0	0	0	0	0	0	0	0	67.720932	30.504381	15.392588	5.3559251	-3.2059937	5.5444455	10.423069	15.26415	0.004222634	9.53E-15	0	0	2.59E+12	7.41E+09	-9.7782021	-2.7887733	2.59E+12	7.41E+09	-3.9392874	-15.445604	0	0	8.5961571	3.9600785	13.212008	7.9010439	33.304897	5.9242277	13.629063	9.7197046	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81670791	-0.38651478	-0.4464919	-0.01928976	0.11016829	3.1303203	2.0816998	-0.89714968	-1.37033	-0.31035468	-0.30069253	-0.002505066	0.17799145	3.1423492	2.1499765	-0.53425395	-0.49113113	-0.21040775	-0.22696163	0.10722204	0.23406	3.3267074	2.3393211	0.21797732	0	6.1551886	4.8434176	6.7819748	7.5103564	6.7819748	2.8808727	0.72404015	1.0043944	0.72404015	1.0043944	-2.328289	-1.8078282	0	0	0.95388722	5.4564285	7.165029	4.2683372	0	0	14	14	14	14	1	1	0	0	13.648394	10.083333	4.2631578	4.296875	1.6952908	2.7777777	13.022482	6.4012899	4.0571489	2.5998101	1.6103241	1.6175778	2.6417074	1.3868449	5	5	0	2	1	1	0	0	3.582	0.78399998	-3.4716799	-2.4272299	3.2725534	4.4349551	-88505.227	-54344.547	-655666.63	-240511.95	-124.02571	1.3591599	-10.87649	-10.57996	10.87649	10.57996	0.70187002	-1.35111	7.0486565	4.1086617	0	1	1	1	0.54197603	0.13974147	0.76507992	0.86025852	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.2364148	-1.578668	-1.2364148	0.169572	0.21931531	0.19891214	0.29590288	98.274422	26.718348	4.2653861	21.089579	0	0	0	17.238026	12.263453	12.949531	14.708499	6.6995511	0	0	44.851616	24.509808	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	47.497971	2.503756	6.6511192	0.78448415	0.54823142	0.47116494	0.48152435	0.10538135	0.33148324	0.21551585	0.45176858	0.52883506	0.51847565	0.1101345	0.12028533	192.12025	89.555756	115.38834	78.658897	25.807903	54.14909	52.779854	73.798172	129.51176	84.69503	26.971952	19.649082	0.42857143	0.42857143	0.75	0.75	3.6450274	4.4665523	-82636.43	-48985.449	-653627.19	-233897.09	-158.23212	-21.339161	-10.78035	-10.20824	10.78035	10.20824	-0.15042999	-1.60325	2210.6523	1222.7729	1038.6576	170.87209	1466.22	1051.9009	1916.4272	1222.7729	1121.4878	352.40723	776.37323	870.36572	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	163.35393	0	0	0	0	0	0	244.9001	163.35393	0	0	4	4	1	1	2.7981894	2.7129455	4	1	0	0	0	0	0.1	0.083333336	2.3949001	0.69370002	0	32.897186	7.7454643	12.344399	81.819725	0	0	50.935009	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	4.1614299	73.293228	30.947832	0	0	17.643185	50.935009	8.5265026	3.185575	0	35.653934	75.473625	70.572739	7.7454643	5.2587838	99.978043	0	2.4099162	2.401618	1.8617485	1.3493451	1.1251426	0	53.990002	88.910004	0.51481563	0.65002245	5.523562	4.5849624	2.5399911	2.6133058	8.4195395	6.8320513	244.9001	163.35393	367.00107	193.05133	263.25	141.25	281.14902	164.69667	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	76.170105	33.029301	46.880581	30.537619	31.30941	5.3953252	3.5784836	0.23970899	0.16889441	2.6517773	3.1004405	1.7756623	2.827431	0.80558389	2.2697856	0.39811906	0.70395321	0.18423676	0.27885354	0.050205711	0.09179344	0.004379716	0.040896963	0	0.007388825	578.125	465.875	340.375	272.5	271.25	188.875	245	143.25	218.5	110.375	157.125	86.625	79.625	71.375	31.75	52.5	7.228416	0.5	7.1763501	0.5	0.5	1	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.3218033	-2.2559736	-2.3133585	-2.2545061	-2.3071356	-5.4111814	-6.5177035	-5.3114209	-6.3663292	-5.095974	-6.2670679	1.2020918	1.180208	230.75	196.25	274.625	284.5	173.75	231.75	66.125	61.625	24.25	22.25	5.75	7	0.5	2.875	0	0.75	0.089400925	0.1482462	0.023469388	0.05322862	1.1877036	0.46934873	1.0598711	0.40426195	1.0759208	0.34260961	1.2929488	0.26820734	1.5141792	0.24410039	1.8226515	0.33411768	1.5276124	0.30066925	1.2021793	0.34473112	0.81477576	0.38709337	2.2796693	0.38656434	3.7727251	0.47702849	4.1858115	1.8248966	4.3511286	3.3124638	4.5800614	5.7887697	5.3393946	6.4371548	0	6.2822728	1.4401109	1.2640395	407.4339	297.06348	586.75	375.5	831.625	879	411	598.375	177.75	310.875	66.125	80.875	24.25	28	5.75	7.625	0.5	2.875	0	0.75	600.875	682.75	136.375	313.875	4	79.125	0	19.25	0	5.75	0	0.625	0	0	0	0	282.336	166.136	627	206	48	15	122	56
Artemisinin	2-hydroxybenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1c(O)cccc1	3.8050928	3.8896804	-88182.25	-42444.27	-667016.75	-186099.22	-154.65057	-62.451	-10.56012	-9.2981997	10.56012	9.2981997	0.87564999	-0.26249	45.079445	19.691551	456.67719	304.73099	0	0	0	0	456.67719	304.73099	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	17	0	2	4	4	20	10	12	6	58.156837	28.183899	1.3846866	1.6578765	0	0	0	0	15	7	0	0	0	0	22	7	0	0	0	1	5	2	0	0	0	0	1.8182865	2.4522195	-2.8763011	-2.2027767	-0.46847317	-0.65055907	0.48142555	0.69603491	2.9546874	2.2059813	-2.9138391	-2.4557157	-0.40296918	-0.58408511	0.52481794	0.73457515	2.9398463	2.3302615	-2.6583734	-1.8849934	-0.33618459	-0.47917178	0.60764611	0.85186768	3.1623287	2.5167747	30.756554	7.950449	0	1	0	0.1	0	6	45	17	1	1	23	10	3	2	0	1	0	0.1	44	10	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.2422132	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.7152143	7.713058	2.7937562	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.0745387	0.76930565	0.77186263	7	5	0	0	0	0	0	0	0	0	67.720932	2.1701744	15.392588	3.8158994	-3.2059937	-18.695351	10.423069	-14.114732	0.004222634	-9.68E-08	0	0	2.59E+12	6.13E+11	-9.7782021	-1.8096623	2.59E+12	6.13E+11	-3.9392874	-14.03807	0	0	8.5961571	4.2734489	13.212008	10.281421	33.304897	8.1955576	13.629063	4.5806184	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81692779	-0.38651478	-0.45078516	-0.01928976	0.11772886	3.1303203	2.0157318	-0.89714968	-1.3703424	-0.31035468	-0.31586617	-0.002505066	0.16726157	3.1423492	2.1292465	-0.53425395	-0.43142635	-0.21040775	-0.22720179	0.10722204	0.24721609	3.3267074	2.3062906	0.21797732	0.033031844	6.1551886	2.7533557	6.7819748	8.1365528	6.7819748	1.5079808	0.72404015	0.55775636	0.72404015	0.54074097	-2.328289	-1.0849361	0	0	0.95388722	4.4700727	7.165029	3.7937014	0	-0.17911328	14	7.6611552	14	14	1	1.6000682	0	0.11766513	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	1.9911112	13.022482	5.2554688	4.0571489	2.0894046	1.6103241	1.1643749	2.6417074	1.09808	5	3	0	3	1	1	0	0	3.582	0.53899997	-3.4716799	-1.27505	3.2725534	3.0096235	-88505.227	-42560.477	-655666.63	-185013.75	-124.02571	-61.48032	-10.87649	-9.22682	10.87649	9.22682	0.70187002	-0.25106999	7.0486565	3.7460229	0	0	1	1	0.54197603	0.34968573	0.76507992	0.70147949	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1908956	-1.578668	-1.1908956	0.169572	0.21159612	0.19891214	0.3071546	98.274422	0	4.2653861	27.728603	0	0	0	17.238026	12.263453	10.324173	14.708499	12.949531	0	0	44.851616	24.509808	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	14.418659	0.78448415	0.64708531	0.47116494	0.53017259	0.10538135	0.19267774	0.21551585	0.35291472	0.52883506	0.46982741	0.1101345	0.16023697	192.12025	93.986244	115.38834	77.005196	25.807903	27.98558	52.779854	51.259285	129.51176	68.240334	26.971952	23.273705	0.42857143	0.40000001	0.75	0.66666669	3.6450274	3.7320609	-82636.43	-38898.391	-653627.19	-181160.22	-158.23212	-60.322788	-10.78035	-9.3098297	10.78035	9.3098297	-0.15042999	-0.30709001	2210.6523	631.0509	1038.6576	215.16501	1466.22	431.62714	1916.4272	615.30969	1121.4878	245.57936	776.37323	367.08542	312.79126	18.386112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	145.24553	0	0	0	0	0	0	244.9001	145.24553	0	0	4	3	1	0	2.7981894	2.1451285	4	1	0	0	0	0	0.1	0.80000001	2.3949001	0.49110001	0	58.282413	7.7454643	5.2587838	81.819725	0	0	0	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	3.6624701	73.293228	23.862217	0	25.385227	17.643185	0	8.5265026	8.4290028	0	32.897186	75.473625	70.572739	7.7454643	5.2587838	99.978043	0	2.4099162	2.0326231	1.8617485	1.4519049	1.1251426	0.36942244	53.990002	63.32	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.1508632	8.4195395	6.3392239	244.9001	145.24553	367.00107	177.67151	263.25	127.625	281.14902	151.4581	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	73.901039	33.029301	12.949531	30.537619	44.876331	5.3953252	4.5806756	0.23970899	0.12456848	2.6517773	3.0559583	1.7756623	2.4315512	0.80558389	1.4358132	0.39811906	0.78242755	0.18423676	0.39143828	0.050205711	0.14135075	0.004379716	0.045144577	0	0.010051499	578.125	376.75	340.375	211.125	271.25	154	245	135.75	218.5	117.625	157.125	95.25	79.625	53.125	31.75	23.5	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-2.2211437	-2.2559736	-2.2143619	-2.2545061	-2.207124	-5.4111814	-6.5745268	-5.3114209	-6.5252652	-5.095974	-6.4645014	1.2020918	1.1542665	230.75	170.375	274.625	202	173.75	137.5	66.125	64.75	24.25	27.875	5.75	9.75	0.5	3.375	0	0.875	0.089400925	0.22808442	0.023469388	0.080110498	1.1877036	1.462903	1.0598711	1.3723232	1.0759208	1.568203	1.2929488	1.8491687	1.5141792	2.0280559	1.8226515	1.9423763	1.5276124	1.0128306	1.2021793	0.58150959	0.81477576	0.67278636	2.2796693	1.6649978	3.7727251	2.3938844	4.1858115	2.7805481	4.3511286	3.0448198	4.5800614	3.8510437	5.3393946	5.2324581	0	5.078651	1.4401109	1.2449766	407.4339	269.58337	586.75	335.625	831.625	728.75	411	437.5	177.75	221.375	66.125	91	24.25	35.125	5.75	10.875	0.5	3.375	0	0.875	600.875	558.375	136.375	235.5	4	83.875	0	26.25	0	7.25	0	1.125	0	0	0	0	282.336	137.138	627	114	48	12	122	46
Artemisinin	4-hydroxybenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1ccc(O)cc1	3.8050928	2.4667902	-88182.25	-42442.207	-667016.75	-181896.86	-154.65057	-60.39048	-10.56012	-9.4400101	10.56012	9.4400101	0.87564999	-0.2448	45.079445	19.691551	456.67719	304.56046	0	0	0	0	456.67719	304.56046	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	17	0	2	4	4	20	10	12	6	58.156837	28.183899	1.3846866	1.6578765	0	0	0	0	15	7	0	0	0	0	22	7	0	0	0	1	5	2	0	0	0	0	1.8182865	2.3101141	-2.8763011	-2.201519	-0.46847317	-0.66262192	0.48142555	0.69965345	2.9546874	2.1946325	-2.9138391	-2.4577262	-0.40296918	-0.59936774	0.52481794	0.76334256	2.9398463	2.3288004	-2.6583734	-1.8815364	-0.33618459	-0.48963791	0.60764611	0.8535735	3.1623287	2.5106704	30.756554	7.950449	0	1	0	0.1	0	6	45	17	1	1	23	10	3	2	0	1	0	0.1	44	10	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.2422132	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.7877734	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.0651495	0.76930565	0.77186263	7	6	0	0	0	0	0	0	0	0	67.720932	1.1548611	15.392588	3.8026736	-3.2059937	-19.90638	10.423069	-14.8869	0.004222634	-9.10E-15	0	0	2.59E+12	4.59E+09	-9.7782021	-1.9877877	2.59E+12	4.59E+09	-3.9392874	-16.98628	0	0	8.5961571	4.3589072	13.212008	6.0690908	33.304897	7.8801799	13.629063	5.0194798	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81690359	-0.38651478	-0.46728563	-0.01928976	0.1303679	3.1303203	2.0074322	-0.89714968	-1.3703295	-0.31035468	-0.33330122	-0.002505066	0.16353467	3.1423492	2.1231315	-0.53425395	-0.4320704	-0.21040775	-0.23780872	0.10722204	0.26457673	3.3267074	2.3000646	0.21797732	0	6.1551886	2.8099585	6.7819748	8.1847572	6.7819748	1.7553785	0.72404015	0.51300567	0.72404015	0.50539142	-2.328289	-1.0513862	0	0	0.95388722	4.4669895	7.165029	3.7932873	0	-0.074717127	14	8.0928545	14	14	1	1.3043088	0	0.046295639	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.2554688	4.0571489	2.0894046	1.6103241	1.336655	2.6417074	1.09808	5	3	0	3	1	1	0	0	3.582	0.54100001	-3.4716799	-1.27505	3.2725534	2.6091383	-88505.227	-42557.301	-655666.63	-181207.13	-124.02571	-58.82032	-10.87649	-9.2710896	10.87649	9.2710896	0.70187002	-0.41249999	7.0486565	3.7422845	0	0	1	1	0.54197603	0.17250219	0.76507992	0.82749778	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1499745	-1.578668	-1.1499745	0.169572	0.21696487	0.19891214	0.31814507	98.274422	2.2085397	4.2653861	25.520063	0	0	0	17.238026	12.263453	23.273705	14.708499	0	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	14.418659	0.78448415	0.64708531	0.47116494	0.53017259	0.10538135	0.19267774	0.21551585	0.35291472	0.52883506	0.46982741	0.1101345	0.16023697	192.12025	93.986244	115.38834	77.005196	25.807903	27.98558	52.779854	51.259285	129.51176	68.240334	26.971952	23.273705	0.42857143	0.5	0.75	1	3.6450274	2.6525288	-82636.43	-38897.949	-653627.19	-176888.45	-158.23212	-59.891529	-10.78035	-9.4503202	10.78035	9.4503202	-0.15042999	-0.33405	2210.6523	771.78412	1038.6576	133.13446	1466.22	638.64972	1916.4272	771.78412	1121.4878	232.62904	776.37323	539.15509	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	145.24553	0	0	0	0	0	0	244.9001	145.24553	0	0	4	3	1	0	2.7981894	2.3722968	4	1	0	0	0	0	0.1	0.80000001	2.3949001	0.49110001	0	58.282413	7.7454643	5.2587838	81.819725	0	0	0	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	3.6624701	73.293228	23.862217	0	25.385227	17.643185	0	8.5265026	8.4290028	0	32.897186	75.473625	70.572739	7.7454643	5.2587838	99.978043	0	2.4099162	2.2811782	1.8617485	1.3244445	1.1251426	0	53.990002	63.32	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.3442218	8.4195395	6.3056221	244.9001	145.24553	367.00107	177.67151	263.25	128.75	281.14902	151.72018	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	73.901039	33.029301	12.949531	30.537619	44.876331	5.3953252	3.1693769	0.23970899	0.14660178	2.6517773	3.1302712	1.7756623	2.7731299	0.80558389	1.6676271	0.39811906	0.70472854	0.18423676	0.31393161	0.050205711	0.10489894	0.004379716	0.042204056	0	0.005407197	578.125	385.875	340.375	224.75	271.25	160.625	245	130.75	218.5	107.25	157.125	88.375	79.625	63.875	31.75	36.25	7.228416	2.0615528	7.1763501	2.236068	0.5	0.5	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.0701549	-2.2559736	-2.0639992	-2.2545061	-2.0584099	-5.4111814	-6.2391572	-5.3114209	-6.1932583	-5.095974	-6.0607018	1.2020918	1.1636132	230.75	182.5	274.625	226.5	173.75	145.75	66.125	52	24.25	23.625	5.75	8.5	0.5	3.375	0	0.625	0.089400925	0.18832685	0.023469388	0.070745699	1.1877036	0.4272157	1.0598711	0.44155416	1.0759208	0.49758145	1.2929488	0.53041881	1.5141792	0.52117985	1.8226515	0.46271065	1.5276124	0.278988	1.2021793	0.59329468	0.81477576	0.40512177	2.2796693	0.67505395	3.7727251	1.2627724	4.1858115	1.8525373	4.3511286	2.6920204	4.5800614	4.7330136	5.3393946	5.6137309	0	5.6866541	1.4401109	1.2339022	407.4339	271.29379	586.75	334.75	831.625	765.875	411	486.625	177.75	226.375	66.125	75	24.25	30.25	5.75	9.25	0.5	3.375	0	0.625	600.875	583.375	136.375	260.125	4	80.625	0	23	0	6.625	0	0.75	0	0	0	0	282.336	137.138	627	120	48	11	122	46
Artemisinin	3-fluorobenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Fc1cc(C(=O)N)ccc1	3.8050928	4.4164662	-88182.25	-45919.102	-667016.75	-185219.08	-154.65057	-60.394169	-10.56012	-9.8544302	10.56012	9.8544302	0.87564999	-0.41973001	45.079445	18.779758	456.67719	302.57086	0	0	0	0	456.67719	302.57086	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	16	0	1	4	2	20	10	12	7	58.156837	28.838741	1.3846866	1.8024213	0	0	0	0	15	7	0	0	0	1	22	6	0	0	0	1	5	1	0	0	0	0	1.8182865	2.3725212	-2.8763011	-2.1795719	-0.46847317	-0.68838459	0.48142555	0.68023324	2.9546874	2.1964631	-2.9138391	-2.4584787	-0.40296918	-0.51509184	0.52481794	0.77546245	2.9398463	2.2551029	-2.6583734	-1.8710064	-0.33618459	-0.49955964	0.60764611	0.85429859	3.1623287	2.4999037	30.756554	8.0602417	0	1	0	0.1	0	6	45	16	1	1	23	10	3	2	0	1	0	0.1	44	9	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.1729641	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.7531488	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.1108104	0.76930565	0.80752075	7	5	0	0	0	0	0	0	0	0	67.720932	1.4656918	15.392588	3.8225718	-3.2059937	-17.946651	10.423069	-13.723841	0.004222634	0.000605328	0	0	2.59E+12	1.47E+10	-9.7782021	-1.1501082	2.59E+12	1.47E+10	-3.9392874	-11.24796	0	0	8.5961571	3.8103621	13.212008	4.6808038	33.304897	7.5559936	13.629063	4.2228112	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81678796	-0.38651478	-0.44621044	-0.01928976	0.073166974	3.1303203	1.9877093	-0.89714968	-1.3703325	-0.31035468	-0.25552505	-0.002505066	0.21281806	3.1423492	2.0563865	-0.53425395	-0.42886415	-0.21040775	-0.21586189	0.10722204	0.19327648	3.3267074	2.2691174	0.21797732	0.013010414	6.1551886	2.3481956	6.7819748	6.7825165	6.7819748	2.1605244	0.72404015	1.0793904	0.72404015	1.0793904	-2.328289	-1.4772167	0	0	0.95388722	4.4066896	7.165029	3.6452587	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.1411953	4.0571489	2.0375628	1.6103241	1.3000227	2.6417074	1.0475509	5	2	0	2	1	1	0	0	3.582	1.039	-3.4716799	-1.93198	3.2725534	3.6127582	-88505.227	-45854.246	-655666.63	-184585.7	-124.02571	-60.72636	-10.87649	-9.78195	10.87649	9.78195	0.70187002	-0.53845	7.0486565	3.6606224	0	0	1	1	0.54197603	0.25841072	0.76507992	0.75827903	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.98730266	-1.578668	-0.98730266	0.169572	0.25279963	0.19891214	0.37056294	98.274422	2.2085397	4.2653861	17.061544	0	9.0208454	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	36.764713	37.495354	12.254904	0	0	7.2334704	0	7.2334704	11.908636	16.070677	13.566921	2.503756	6.6511192	0.78448415	0.67716181	0.47116494	0.58117402	0.10538135	0.23009294	0.21551585	0.32283816	0.52883506	0.41882598	0.1101345	0.092745222	192.12025	94.548569	115.38834	81.146294	25.807903	32.126675	52.779854	45.076206	129.51176	58.478485	26.971952	12.949531	0.42857143	0.40000001	0.75	0.66666669	3.6450274	4.1265817	-82636.43	-41918.426	-653627.19	-178435.5	-158.23212	-57.612	-10.78035	-9.90271	10.78035	9.90271	-0.15042999	-0.47849	2210.6523	742.46002	1038.6576	190.27182	1466.22	558.33264	1916.4272	736.31555	1121.4878	334.21799	776.37323	397.04257	312.79126	11.199457	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	139.62477	0	0	0	0	0	0	244.9001	139.62477	0	0	4	3	1	0	2.7981894	2.3100836	4	1	0	0	0	0	0.1	0.1	2.3949001	0.92460001	0	32.897186	7.7454643	5.2587838	81.819725	9.1210184	0	0	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	14.960114	6.8046999	3.4917901	73.293228	23.862217	0	14.960114	17.643185	9.1210184	8.5265026	3.185575	0	32.897186	75.473625	70.572739	7.7454643	5.2587838	99.978043	0	2.4099162	2.0998321	1.8617485	1.3622534	1.1251426	0.23951356	53.990002	43.09	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.2245147	8.4195395	6.3255587	244.9001	139.62477	367.00107	172.29155	263.25	125.25	281.14902	149.68489	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	86.372002	33.029301	12.949531	30.537619	31.30941	5.3953252	4.9249148	0.23970899	0.14684255	2.6517773	3.0816863	1.7756623	2.5808988	0.80558389	1.7375124	0.39811906	0.71154869	0.18423676	0.27687454	0.050205711	0.11850154	0.004379716	0.04018487	0	0.00894129	578.125	349.125	340.375	195.875	271.25	139.125	245	116.375	218.5	95.625	157.125	76.125	79.625	45.625	31.75	25.625	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-2.1330264	-2.2559736	-2.1328228	-2.2545061	-2.1126509	-5.4111814	-6.7033072	-5.3114209	-6.5436726	-5.095974	-6.3851299	1.2020918	1.1535875	230.75	182.5	274.625	240.875	173.75	171.875	66.125	54	24.25	19.375	5.75	8.5	0.5	3.125	0	0.75	0.089400925	0.1868823	0.023469388	0.081632651	1.1877036	1.1817287	1.0598711	1.1879597	1.0759208	1.3527604	1.2929488	1.6029252	1.5141792	1.7755625	1.8226515	1.6766498	1.5276124	1.1896778	1.2021793	1.0805539	0.81477576	0.77492368	2.2796693	1.2737231	3.7727251	1.7210966	4.1858115	2.9694695	4.3511286	4.2259054	4.5800614	4.9202313	5.3393946	5.6075969	0	5.4369473	1.4401109	1.2415198	407.4339	267.61554	586.75	332.25	831.625	726.875	411	466	177.75	238.875	66.125	75.375	24.25	26	5.75	9.5	0.5	3.125	0	0.75	600.875	544.375	136.375	225.125	4	67	0	21.375	0	6.625	0	1	0	0	0	0	282.336	139.129	627	117	48	11	122	46
Artemisinin	4-fluorobenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Fc1ccc(C(=O)N)cc1	3.8050928	3.203939	-88182.25	-45919.805	-667016.75	-184524.64	-154.65057	-61.094421	-10.56012	-9.86199	10.56012	9.86199	0.87564999	-0.46634001	45.079445	18.779758	456.67719	303.58441	0	0	0	0	456.67719	303.58441	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	16	0	1	4	2	20	10	12	7	58.156837	28.838741	1.3846866	1.8024213	0	0	0	0	15	7	0	0	0	1	22	6	0	0	0	1	5	1	0	0	0	0	1.8182865	2.3101141	-2.8763011	-2.1809549	-0.46847317	-0.64028955	0.48142555	0.70537823	2.9546874	2.1939373	-2.9138391	-2.4582746	-0.40296918	-0.53807992	0.52481794	0.80591482	2.9398463	2.2552028	-2.6583734	-1.870954	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.4999866	30.756554	8.0602417	0	1	0	0.1	0	6	45	16	1	1	23	10	3	2	0	1	0	0.1	44	9	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.1729641	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.7531488	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.118625	0.76930565	0.80752075	7	6	0	0	0	0	0	0	0	0	67.720932	7.1345716	15.392588	3.7964928	-3.2059937	-12.210882	10.423069	-7.9921207	0.004222634	0.000320187	0	0	2.59E+12	1.98E+09	-9.7782021	-1.1568439	2.59E+12	1.98E+09	-3.9392874	-11.132439	0	0	8.5961571	3.8902905	13.212008	4.6158848	33.304897	7.439589	13.629063	4.2187614	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81678236	-0.38651478	-0.42274049	-0.01928976	0.083852582	3.1303203	1.9866716	-0.89714968	-1.370327	-0.31035468	-0.26386139	-0.002505066	0.19742072	3.1423492	2.0564928	-0.53425395	-0.42888248	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.2691667	0.21797732	0.012737607	6.1551886	2.3620028	6.7819748	6.818965	6.7819748	2.2499313	0.72404015	1.068455	0.72404015	1.068455	-2.328289	-1.4678738	0	0	0.95388722	4.4143071	7.165029	3.6462815	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.1411953	4.0571489	2.0375628	1.6103241	1.3000227	2.6417074	1.0475509	5	2	0	2	1	1	0	0	3.582	1.002	-3.4716799	-1.93198	3.2725534	2.9925811	-88505.227	-45854.699	-655666.63	-183894.05	-124.02571	-61.112549	-10.87649	-9.8385401	10.87649	9.8385401	0.70187002	-0.58873999	7.0486565	3.6606224	0	0	1	1	0.54197603	0.16856758	0.76507992	0.84480917	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.98409289	-1.578668	-0.98409289	0.169572	0.25353727	0.19891214	0.37177253	98.274422	2.2085397	4.2653861	17.061544	0	9.0208454	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	11.908636	16.070677	13.566921	2.503756	6.6511192	0.78448415	0.67716181	0.47116494	0.58117402	0.10538135	0.23009294	0.21551585	0.32283816	0.52883506	0.41882598	0.1101345	0.092745222	192.12025	94.548569	115.38834	81.146294	25.807903	32.126675	52.779854	45.076206	129.51176	58.478485	26.971952	12.949531	0.42857143	0.5	0.75	1	3.6450274	3.1406932	-82636.43	-41918.805	-653627.19	-177800.31	-158.23212	-57.989578	-10.78035	-9.8834496	10.78035	9.8834496	-0.15042999	-0.49904999	2210.6523	792.63965	1038.6576	132.72563	1466.22	665.1803	1916.4272	787.37335	1121.4878	650.1153	776.37323	111.38602	312.79126	31.1383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	139.62477	0	0	0	0	0	0	244.9001	139.62477	0	0	4	3	1	0	2.7981894	2.3868716	4	1	0	0	0	0	0.1	0.80000001	2.3949001	0.92460001	0	32.897186	7.7454643	5.2587838	81.819725	9.1210184	0	0	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	14.960114	6.8046999	3.4917901	73.293228	23.862217	0	14.960114	17.643185	9.1210184	8.5265026	3.185575	0	32.897186	75.473625	70.572739	7.7454643	5.2587838	99.978043	0	2.4099162	2.1110718	1.8617485	1.3484192	1.1251426	0.23825771	53.990002	43.09	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.3442218	8.4195395	6.3056221	244.9001	139.62477	367.00107	172.29155	263.25	124.375	281.14902	149.40187	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	86.372002	33.029301	12.949531	30.537619	31.30941	5.3953252	4.568294	0.23970899	0.16484201	2.6517773	3.0992005	1.7756623	2.7293446	0.80558389	1.7850584	0.39811906	0.6602568	0.18423676	0.25925651	0.050205711	0.11003666	0.004379716	0.044519778	0	0.010078293	578.125	348.875	340.375	197.5	271.25	142.25	245	114	218.5	95.875	157.125	76.75	79.625	51.75	31.75	27.625	7.228416	2.6925824	7.1763501	2.9154758	0.5	0.5	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.5	-2.2570698	-1.9891332	-2.2559736	-1.9867303	-2.2545061	-1.985678	-5.4111814	-6.658145	-5.3114209	-6.6081691	-5.095974	-6.4288044	1.2020918	1.1579359	230.75	189	274.625	262	173.75	166.5	66.125	46.875	24.25	17	5.75	7.875	0.5	3.375	0	0.75	0.089400925	0.17135325	0.023469388	0.077850878	1.1877036	0.29789823	1.0598711	0.31162587	1.0759208	0.27473885	1.2929488	0.30035618	1.5141792	0.31552923	1.8226515	0.36928648	1.5276124	0.85033143	1.2021793	0.94210261	0.81477576	0.73290032	2.2796693	0.84890312	3.7727251	1.2187068	4.1858115	3.1337507	4.3511286	4.5908208	4.5800614	5.2666216	5.3393946	5.7461066	0	5.5868449	1.4401109	1.2334358	407.4339	267.13998	586.75	329.5	831.625	735	411	483.875	177.75	234	66.125	68.125	24.25	24.375	5.75	8.875	0.5	3.375	0	0.75	600.875	546	136.375	221.875	4	67.5	0	21.25	0	7.375	0	1	0	0	0	0	282.336	139.129	627	120	48	11	122	46
Artemisinin	2-aminobenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1c(N)cccc1	3.8050928	2.2189722	-88182.25	-40148.902	-667016.75	-183499.97	-154.65057	-20.53467	-10.56012	-8.63622	10.56012	8.63622	0.87564999	0.053100001	45.079445	20.656343	456.67719	308.10962	0	0	0	0	456.67719	308.10962	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	18	0	2	4	3	20	10	12	6	58.156837	29.407166	1.3846866	1.6337314	0	0	0	0	15	7	0	0	0	0	22	8	0	0	0	2	5	1	0	0	0	0	1.8182865	2.4522195	-2.8763011	-2.2480648	-0.46847317	-0.58885878	0.48142555	0.64241576	2.9546874	2.2159851	-2.9138391	-2.4759295	-0.40296918	-0.50403792	0.52481794	0.71410692	2.9398463	2.3075993	-2.6583734	-1.9053283	-0.33618459	-0.43794417	0.60764611	0.78835034	3.1623287	2.5501466	30.756554	8.3836555	0	1	0	0.1	0	6	45	18	1	1	23	10	3	2	0	1	0	0.1	44	11	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.3723497	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.7152143	7.713058	2.8588247	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.0295198	0.76930565	0.7406894	7	5	0	0	0	0	0	0	0	0	67.720932	6.3706112	15.392588	3.4829121	-3.2059937	-16.029202	10.423069	-11.524814	0.004222634	-1.05E-05	0	0	2.59E+12	1.60E+10	-9.7782021	-1.43739	2.59E+12	1.60E+10	-3.9392874	-15.792413	0	0	8.5961571	4.9415522	13.212008	8.9780388	33.304897	9.4709711	13.629063	4.5043888	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81865031	-0.38651478	-0.39763567	-0.01928976	0.088898718	3.1303203	2.0497088	-0.89714968	-1.3712355	-0.31035468	-0.27037066	-0.002505066	0.16414806	3.1423492	2.1414514	-0.53425395	-0.42923671	-0.21040775	-0.20552336	0.10722204	0.20823753	3.3267074	2.3566337	0.21797732	0.032059215	6.1551886	2.8666456	6.7819748	8.6487761	6.7819748	1.0265099	0.72404015	0.30501065	0.72404015	0.30501065	-2.328289	-1.0237041	0	0	0.95388722	4.5330167	7.165029	3.9539866	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	1.9911112	13.022482	4.929759	4.0571489	1.9419332	1.6103241	1.0737507	2.6417074	0.95732629	5	3	0	4	1	1	0	0	3.582	0.175	-3.4716799	-1.35788	3.2725534	2.6798637	-88505.227	-40233.883	-655666.63	-182483.59	-124.02571	-14.18499	-10.87649	-9.05373	10.87649	9.05373	0.70187002	-0.13756	7.0486565	3.8726499	0	1	1	1	0.54197603	0.35404745	0.76507992	0.69511789	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.147725	-1.578668	-1.147725	0.169572	0.21869878	0.19891214	0.31873158	98.274422	6.6995511	4.2653861	19.270084	0	17.238026	0	17.238026	12.263453	0	14.708499	12.949531	0	0	44.851616	24.509808	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	13.302238	0.78448415	0.73326886	0.47116494	0.50835174	0.10538135	0.17998688	0.21551585	0.26673114	0.52883506	0.49164829	0.1101345	0.086744271	192.12025	109.4653	115.38834	75.888779	25.807903	26.86916	52.779854	39.818691	129.51176	73.395218	26.971952	12.949531	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.4189439	-82636.43	-36224.391	-653627.19	-177306	-158.23212	-17.047489	-10.78035	-8.7795601	10.78035	8.7795601	-0.15042999	-0.05291	2210.6523	637.98816	1038.6576	220.45862	1466.22	432.83667	1916.4272	622.68097	1121.4878	254.52158	776.37323	365.53561	312.79126	17.930964	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	149.284	0	0	0	0	0	0	244.9001	149.284	0	0	4	3	1	0	2.7981894	2.1646671	4	1	0	0	0	0	0.1	0.80000001	2.3949001	0.36770001	0	65.794373	7.7454643	5.2587838	81.819725	0	0	0	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	3.9372301	73.293228	23.862217	0	0	17.643185	0	8.5265026	3.185575	0	35.653934	75.473625	103.46992	7.7454643	5.2587838	99.978043	0	2.4099162	1.984935	1.8617485	1.6106752	1.1251426	0.35540438	53.990002	69.110001	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.1508632	8.4195395	6.3392239	244.9001	149.284	367.00107	183.82065	263.25	132.25	281.14902	157.31451	30.537619	13.566921	0	0	0	0	0	35.484978	160.29349	72.142067	33.029301	12.949531	30.537619	49.051899	5.3953252	4.9430699	0.23970899	0.12181619	2.6517773	3.0457585	1.7756623	2.4584846	0.80558389	1.4624206	0.39811906	0.74552757	0.18423676	0.40909031	0.050205711	0.16227962	0.004379716	0.046907317	0	0.009688074	578.125	391.75	340.375	223.125	271.25	161.125	245	141.75	218.5	121.875	157.125	99.5	79.625	58.5	31.75	26.625	7.228416	1.5	7.1763501	1.8708287	0.5	0.5	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.289876	-2.2559736	-2.2656791	-2.2545061	-2.2632754	-5.4111814	-6.5443988	-5.3114209	-6.4676003	-5.095974	-6.3844833	1.2020918	1.1543583	230.75	107.75	274.625	119.75	173.75	86.75	66.125	46.625	24.25	26.375	5.75	11.375	0.5	3.375	0	0.75	0.089400925	0.2412723	0.023469388	0.093474425	1.1877036	1.3850446	1.0598711	1.2607645	1.0759208	1.4270899	1.2929488	1.713975	1.5141792	1.9282697	1.8226515	1.8566084	1.5276124	0.81833237	1.2021793	0.40691942	0.81477576	0.70068598	2.2796693	1.6926985	3.7727251	2.4731805	4.1858115	3.0386999	4.3511286	3.532249	4.5800614	4.1434016	5.3393946	5.2007809	0	5.1734214	1.4401109	1.2566659	407.4339	274.73492	586.75	345.25	831.625	744.5	411	452.375	177.75	225.125	66.125	88.25	24.25	38.875	5.75	13.25	0.5	3.375	0	0.75	600.875	636.75	136.375	332.625	4	138.375	0	41.625	0	12.5	0	1.875	0	0	0	0	282.336	136.15399	627	114	48	12	122	46
Artemisinin	3-aminobenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1cc(N)ccc1	3.8050928	2.9128702	-88182.25	-40146.035	-667016.75	-180242.09	-154.65057	-17.667191	-10.56012	-8.7824402	10.56012	8.7824402	0.87564999	-0.016759999	45.079445	20.656343	456.67719	309.42484	0	0	0	0	456.67719	309.42484	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	18	0	2	4	3	20	10	12	6	58.156837	29.407166	1.3846866	1.6337314	0	0	0	0	15	7	0	0	0	0	22	8	0	0	0	2	5	1	0	0	0	0	1.8182865	2.3725212	-2.8763011	-2.2426498	-0.46847317	-0.62760341	0.48142555	0.67294776	2.9546874	2.2047243	-2.9138391	-2.4631865	-0.40296918	-0.55508518	0.52481794	0.72158754	2.9398463	2.3067453	-2.6583734	-1.9001088	-0.33618459	-0.46194521	0.60764611	0.82784945	3.1623287	2.5379484	30.756554	8.3836555	0	1	0	0.1	0	6	45	18	1	1	23	10	3	2	0	1	0	0.1	44	11	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.3723497	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.8528416	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.0246773	0.76930565	0.7406894	7	5	0	0	0	0	0	0	0	0	67.720932	-8.358572	15.392588	3.4305058	-3.2059937	-28.715572	10.423069	-23.698578	0.004222634	1.13E-14	0	0	2.59E+12	3.17E+09	-9.7782021	-3.3980589	2.59E+12	3.17E+09	-3.9392874	-16.74366	0	0	8.5961571	4.786902	13.212008	7.1527019	33.304897	7.1225986	13.629063	5.0169935	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81848097	-0.38651478	-0.41643015	-0.01928976	0.10439644	3.1303203	2.0406981	-0.89714968	-1.3703313	-0.31035468	-0.29977974	-0.002505066	0.17295158	3.1423492	2.1367977	-0.53425395	-0.42874932	-0.21040775	-0.21806337	0.10722204	0.22748029	3.3267074	2.3474839	0.21797732	0	6.1551886	2.9605122	6.7819748	8.4000216	6.7819748	1.1327678	0.72404015	0.3272489	0.72404015	0.3272489	-2.328289	-1.0333688	0	0	0.95388722	4.5120902	7.165029	3.9511769	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	4.929759	4.0571489	1.9419332	1.6103241	1.232622	2.6417074	0.95732629	5	3	0	4	1	1	0	0	3.582	0.214	-3.4716799	-1.35788	3.2725534	2.9622891	-88505.227	-40231.828	-655666.63	-179540.73	-124.02571	-12.05693	-10.87649	-9.0565796	10.87649	9.0565796	0.70187002	-0.2687	7.0486565	3.8689115	0	1	1	1	0.54197603	0.2592518	0.76507992	0.74074817	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1207165	-1.578668	-1.1207165	0.169572	0.22267117	0.19891214	0.32645026	98.274422	8.9080906	4.2653861	17.061544	0	17.238026	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	36.764713	37.495354	12.254904	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	13.302238	0.78448415	0.73326886	0.47116494	0.50835174	0.10538135	0.17998688	0.21551585	0.26673114	0.52883506	0.49164829	0.1101345	0.086744271	192.12025	109.4653	115.38834	75.888779	25.807903	26.86916	52.779854	39.818691	129.51176	73.395218	26.971952	12.949531	0.42857143	0.40000001	0.75	0.66666669	3.6450274	3.3761637	-82636.43	-36223.77	-653627.19	-174455.06	-158.23212	-16.428181	-10.78035	-8.8336496	10.78035	8.8336496	-0.15042999	-0.29469001	2210.6523	726.82916	1038.6576	188.43179	1466.22	538.3974	1916.4272	726.82916	1121.4878	201.24573	776.37323	525.58344	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	149.284	0	0	0	0	0	0	244.9001	149.284	0	0	4	3	1	0	2.7981894	2.3104734	4	1	0	0	0	0	0.1	0.1	2.3949001	0.36770001	0	65.794373	7.7454643	5.2587838	81.819725	0	0	0	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	3.9372301	73.293228	23.862217	0	0	17.643185	0	8.5265026	3.185575	0	35.653934	75.473625	103.46992	7.7454643	5.2587838	99.978043	0	2.4099162	2.2819862	1.8617485	1.4450009	1.1251426	0	53.990002	69.110001	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.2245147	8.4195395	6.3255587	244.9001	149.284	367.00107	183.82065	263.25	132.875	281.14902	157.33577	30.537619	13.566921	0	0	0	0	0	35.484978	160.29349	72.142067	33.029301	12.949531	30.537619	49.051899	5.3953252	3.8083701	0.23970899	0.12455545	2.6517773	3.1180155	1.7756623	2.6794379	0.80558389	1.6518432	0.39811906	0.74670166	0.18423676	0.36872867	0.050205711	0.1253714	0.004379716	0.040583614	0	0.007031963	578.125	402.75	340.375	235.125	271.25	166	245	137	218.5	116	157.125	97.125	79.625	68	31.75	40	7.228416	0.5	7.1763501	6.5192022	0.5	6.5	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.130549	-2.2559736	-2.1158719	-2.2545061	-2.086416	-5.4111814	-6.4716015	-5.3114209	-6.3655396	-5.095974	-6.1932883	1.2020918	1.1638968	230.75	115.25	274.625	127.75	173.75	99.375	66.125	43.375	24.25	21.5	5.75	9.5	0.5	3	0	0.625	0.089400925	0.20557229	0.023469388	0.077554747	1.1877036	0.99976277	1.0598711	0.91752177	1.0759208	0.9850108	1.2929488	1.1728066	1.5141792	1.2709842	1.8226515	1.2141224	1.5276124	0.62740135	1.2021793	0.53619069	0.81477576	0.48903179	2.2796693	1.0544099	3.7727251	1.7602912	4.1858115	2.3844273	4.3511286	2.8466473	4.5800614	4.1100221	5.3393946	5.5357985	0	5.4688854	1.4401109	1.2454638	407.4339	276.60376	586.75	344.5	831.625	790.75	411	490.75	177.75	237.75	66.125	86.875	24.25	34.125	5.75	10.625	0.5	3	0	0.625	600.875	675.5	136.375	363	4	138.375	0	43.5	0	12.625	0	1.125	0	0	0	0	282.336	136.15399	627	117	48	11	122	46
Artemisinin	4-aminobenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1ccc(N)cc1	3.8050928	4.4805217	-88182.25	-40146.586	-667016.75	-179483.05	-154.65057	-10.32704	-10.56012	-8.7868795	10.56012	8.7868795	0.87564999	-0.032740001	45.079445	20.656343	456.67719	312.63528	0	0	0	0	456.67719	312.63528	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	18	0	2	4	3	20	10	12	6	58.156837	29.407166	1.3846866	1.6337314	0	0	0	0	15	7	0	0	0	0	22	8	0	0	0	2	5	1	0	0	0	0	1.8182865	2.3101141	-2.8763011	-2.2409937	-0.46847317	-0.65709436	0.48142555	0.6985597	2.9546874	2.2014573	-2.9138391	-2.4608822	-0.40296918	-0.56988186	0.52481794	0.73287308	2.9398463	2.3064835	-2.6583734	-1.8985142	-0.33618459	-0.48230898	0.60764611	0.85955071	3.1623287	2.5343852	30.756554	8.3836555	0	1	0	0.1	0	6	45	18	1	1	23	10	3	2	0	1	0	0.1	44	11	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.3723497	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.6983771	7.713058	2.8528416	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.0217936	0.76930565	0.7406894	7	6	0	0	0	0	0	0	0	0	67.720932	-5.0843997	15.392588	3.3151786	-3.2059937	-25.536432	10.423069	-20.521086	0.004222634	7.51E-14	0	0	2.59E+12	7.04E+09	-9.7782021	-1.4797304	2.59E+12	7.04E+09	-3.9392874	-16.780739	0	0	8.5961571	4.7982702	13.212008	6.7852702	33.304897	7.3232369	13.629063	5.0153461	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81820464	-0.38651478	-0.42756274	-0.01928976	0.1055593	3.1303203	2.0364206	-0.89714968	-1.3704008	-0.31035468	-0.30048057	-0.002505066	0.17859694	3.1423492	2.1343236	-0.53425395	-0.42876142	-0.21040775	-0.22719409	0.10722204	0.23269668	3.3267074	2.3429961	0.21797732	0	6.1551886	2.9153798	6.7819748	8.605938	6.7819748	1.2316905	0.72404015	0.29679665	0.72404015	0.29679665	-2.328289	-1.0096807	0	0	0.95388722	4.5291176	7.165029	3.9534633	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	4.929759	4.0571489	1.9419332	1.6103241	1.232622	2.6417074	0.95732629	5	3	0	4	1	1	0	0	3.582	0.177	-3.4716799	-1.35788	3.2725534	2.9372461	-88505.227	-40234.129	-655666.63	-178776.42	-124.02571	-14.45479	-10.87649	-9.0775003	10.87649	9.0775003	0.70187002	-0.19419999	7.0486565	3.8689115	0	1	1	1	0.54197603	0.17424335	0.76507992	0.82575667	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1186724	-1.578668	-1.1186724	0.169572	0.22303516	0.19891214	0.32704726	98.274422	8.9080906	4.2653861	17.061544	0	17.238026	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	13.302238	0.78448415	0.73326886	0.47116494	0.50835174	0.10538135	0.17998688	0.21551585	0.26673114	0.52883506	0.49164829	0.1101345	0.086744271	192.12025	109.4653	115.38834	75.888779	25.807903	26.86916	52.779854	39.818691	129.51176	73.395218	26.971952	12.949531	0.42857143	0.5	0.75	1	3.6450274	4.1594172	-82636.43	-36224.359	-653627.19	-173775.84	-158.23212	-17.015091	-10.78035	-8.8759699	10.78035	8.8759699	-0.15042999	-0.28913999	2210.6523	770.76691	1038.6576	134.30101	1466.22	636.46588	1916.4272	770.76691	1121.4878	235.88615	776.37323	534.88074	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	149.284	0	0	0	0	0	0	244.9001	149.284	0	0	4	3	1	0	2.7981894	2.3792841	4	1	0	0	0	0	0.1	0.80000001	2.3949001	0.36770001	0	65.794373	7.7454643	5.2587838	81.819725	0	0	0	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	2.7567475	6.8046999	3.9372301	73.293228	23.862217	0	0	17.643185	0	8.5265026	3.185575	0	35.653934	75.473625	103.46992	7.7454643	5.2587838	99.978043	0	2.4099162	2.3901646	1.8617485	1.3323669	1.1251426	0	53.990002	69.110001	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.3442218	8.4195395	6.3056221	244.9001	149.284	367.00107	183.82065	263.25	133.25	281.14902	157.70715	30.537619	13.566921	0	0	0	0	0	35.484978	160.29349	72.142067	33.029301	12.949531	30.537619	49.051899	5.3953252	3.2090032	0.23970899	0.14659829	2.6517773	3.1553359	1.7756623	2.8464582	0.80558389	1.7411575	0.39811906	0.72103351	0.18423676	0.32198253	0.050205711	0.10467169	0.004379716	0.037697069	0	0.011020286	578.125	401.625	340.375	235.625	271.25	167.375	245	135.25	218.5	111	157.125	89.875	79.625	68.5	31.75	42.25	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.1138227	-2.2559736	-2.0892086	-2.2545061	-2.088433	-5.4111814	-6.6319566	-5.3114209	-6.5329041	-5.095974	-6.4730902	1.2020918	1.168901	230.75	126.25	274.625	151.375	173.75	103.875	66.125	37.25	24.25	16.625	5.75	8	0.5	2.75	0	0.875	0.089400925	0.17176998	0.023469388	0.071164511	1.1877036	0.61077356	1.0598711	0.60461211	1.0759208	0.65250081	1.2929488	0.68821162	1.5141792	0.66166556	1.8226515	0.66872382	1.5276124	0.54130256	1.2021793	0.57792807	0.81477576	0.089084595	2.2796693	0.31494364	3.7727251	0.89099669	4.1858115	1.6247994	4.3511286	2.5816176	4.5800614	4.516726	5.3393946	5.7285838	0	5.6036353	1.4401109	1.2357669	407.4339	275.84085	586.75	340.875	831.625	805.625	411	518.75	177.75	238.125	66.125	79.625	24.25	28.75	5.75	9.625	0.5	2.75	0	0.875	600.875	679.375	136.375	367.375	4	134.25	0	42.375	0	12.125	0	1.625	0	0	0	0	282.336	136.15399	627	120	48	11	122	46
Artemisinin	2-methoxybenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1c(OC)cccc1	3.8050928	2.995384	-88182.25	-46021.211	-667016.75	-220117.41	-154.65057	-52.575859	-10.56012	-9.8292398	10.56012	9.8292398	0.87564999	-0.22973999	45.079445	22.785137	456.67719	331.2854	0	0	0	0	456.67719	331.2854	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	20	0	1	4	3	20	11	12	7	58.156837	31.909237	1.3846866	1.5954618	0	0	0	0	15	8	0	0	0	0	22	9	0	0	0	1	5	2	0	0	0	0	1.8182865	2.4881821	-2.8763011	-2.2654669	-0.46847317	-0.60670066	0.48142555	0.59648627	2.9546874	2.243989	-2.9138391	-2.4597352	-0.40296918	-0.52045107	0.52481794	0.70086473	2.9398463	2.3465519	-2.6583734	-1.9759095	-0.33618459	-0.42278418	0.60764611	0.77380407	3.1623287	2.5452759	30.756554	12.052863	0	2	0	0.18181819	0	6	45	20	1	1	23	11	3	2	0	2	0	0.18181819	44	13	0	0	0	0	0	0	14.120955	8.2675848	12.25642	6.203248	10.215178	4.809401	10.292529	5.5604777	9.4617796	5.2532187	7.713058	3.1825221	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.0205232	0.76930565	0.7401346	7	5	0	0	0	0	0	0	0	0	67.720932	9.1858606	15.392588	3.6539509	-3.2059937	-17.504257	10.423069	-12.714058	0.004222634	7.42E-05	0	0	2.59E+12	2.90E+11	-9.7782021	-5.1534839	2.59E+12	2.90E+11	-3.9392874	-10.024281	0	0	8.5961571	4.1390438	13.212008	9.4207306	33.304897	14.10685	13.629063	4.7901993	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81727076	-0.38651478	-0.41602466	-0.01928976	0.041961316	3.1303203	2.090493	-0.89714968	-1.3703688	-0.31035468	-0.30818439	-0.002505066	0.14831755	3.1423492	2.1930437	-0.53425395	-0.48356402	-0.21040775	-0.20568039	0.10722204	0.16514039	3.3267074	2.3768101	0.21797732	0.11476196	6.1551886	2.8410974	6.7819748	7.4527621	6.7819748	2.8699589	0.72404015	0.96922112	0.72404015	0.96922112	-2.328289	-1.462338	0	0	0.95388722	4.470387	7.165029	4.2481294	0	0	14	14	14	14	1	1	0	0	13.648394	9.090909	4.2631578	4.1326532	1.6952908	2.2145329	13.022482	6.1692924	4.0571489	2.6813617	1.6103241	1.3794875	2.6417074	1.5038276	5	3	0	2	1	1	0	0	3.582	0.80299997	-3.4716799	-1.68738	3.2725534	3.8320785	-88505.227	-46155.191	-655666.63	-217576.3	-124.02571	-52.745579	-10.87649	-9.2454205	10.87649	9.2454205	0.70187002	-0.1874	7.0486565	4.2549458	0	0	1	1	0.54197603	0.4524762	0.76507992	0.65973771	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.178712	-1.578668	-1.178712	0.169572	0.2137899	0.19891214	0.31032941	98.274422	24.997658	4.2653861	40.524761	0	0	0	17.238026	12.263453	0	14.708499	12.949531	0	0	44.851616	24.509808	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	9.1548758	0.78448415	0.78697503	0.47116494	0.42843127	0.10538135	0.1356919	0.21551585	0.21302497	0.52883506	0.57156873	0.1101345	0.077333078	192.12025	131.78006	115.38834	71.741409	25.807903	22.721796	52.779854	35.671326	129.51176	95.709976	26.971952	12.949531	0.42857143	0.40000001	0.75	0.66666669	3.6450274	3.1997139	-82636.43	-42331.336	-653627.19	-213919.22	-158.23212	-46.415001	-10.78035	-9.5819902	10.78035	9.5819902	-0.15042999	-0.27965	2210.6523	748.55542	1038.6576	320.70947	1466.22	467.61383	1916.4272	708.78748	1121.4878	284.96066	776.37323	415.4754	312.79126	48.119312	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	167.45139	0	0	0	0	0	0	244.9001	167.45139	0	0	4	3	1	0	2.7981894	2.2252886	4	1	0	0	0	0	0.1	0.81818181	2.3949001	0.79409999	0	43.897076	7.7454643	5.2587838	81.819725	0	0	0	17.643185	27.047791	0	35.383869	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	4.1511898	73.293228	23.862217	0	10.999887	17.643185	0	8.5265026	8.4290028	0	32.897186	75.473625	70.572739	7.7454643	5.2587838	99.978043	35.383869	2.4099162	2.0149269	1.8617485	1.5749452	1.1251426	0.68258744	53.990002	52.32	0.51481563	0.68403846	5.523562	4.4594316	2.5399911	2.2482128	8.4195395	6.6247077	244.9001	167.45139	367.00107	204.23987	263.25	148.125	281.14902	175.71942	30.537619	16.070677	0	0	0	0	0	17.742489	160.29349	109.55946	33.029301	12.949531	30.537619	33.813168	5.3953252	4.0601296	0.23970899	0.15315774	2.6517773	2.8882437	1.7756623	2.047636	0.80558389	1.1467565	0.39811906	0.61992443	0.18423676	0.33780265	0.050205711	0.17412442	0.004379716	0.06564714	0	0.014935332	578.125	429.625	340.375	243.625	271.25	187.125	245	170.625	218.5	153.375	157.125	119.25	79.625	54.875	31.75	21.125	7.228416	6.9462218	7.1763501	0.5	0.5	6.9641943	0.70710677	0.5	0.70710677	5.6789083	0.70710677	5.8736701	-2.2570698	-2.1979072	-2.2559736	-2.1844244	-2.2545061	-2.1637459	-5.4111814	-6.5606351	-5.3114209	-6.5491452	-5.095974	-6.4149785	1.2020918	1.1639451	230.75	158.875	274.625	169.75	173.75	120.625	66.125	58.25	24.25	28	5.75	14.625	0.5	5.625	0	1.25	0.089400925	0.18704075	0.023469388	0.090842493	1.1877036	1.1345094	1.0598711	1.0050646	1.0759208	1.1391844	1.2929488	1.3472755	1.5141792	1.5076864	1.8226515	1.6306984	1.5276124	0.93731308	1.2021793	0.82503015	0.81477576	0.69701868	2.2796693	1.8703523	3.7727251	2.5844564	4.1858115	2.8060052	4.3511286	2.9317362	4.5800614	3.2543135	5.3393946	3.5785017	0	3.3773339	1.4401109	1.290599	407.4339	297.052	586.75	383.375	831.625	716	411	387.75	177.75	194.875	66.125	81.125	24.25	35	5.75	15.5	0.5	5.625	0	1.25	600.875	557.125	136.375	218	4	74.25	0	22.875	0	7	0	0.875	0	0	0	0	282.336	151.16499	627	150	48	14	122	50
Artemisinin	3-methoxybenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1cc(OC)ccc1	3.8050928	2.4372683	-88182.25	-46021.992	-667016.75	-214664.83	-154.65057	-53.3853	-10.56012	-9.2864799	10.56012	9.2864799	0.87564999	-0.23553	45.079445	22.785137	456.67719	336.28265	0	0	0	0	456.67719	336.28265	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	20	0	1	4	3	20	11	12	7	58.156837	31.909237	1.3846866	1.5954618	0	0	0	0	15	8	0	0	0	0	22	9	0	0	0	1	5	2	0	0	0	0	1.8182865	2.3716021	-2.8763011	-2.2609313	-0.46847317	-0.6138984	0.48142555	0.58952153	2.9546874	2.2287364	-2.9138391	-2.4584732	-0.40296918	-0.53748995	0.52481794	0.68307871	2.9398463	2.3453846	-2.6583734	-1.9707453	-0.33618459	-0.42037818	0.60764611	0.77024698	3.1623287	2.5346987	30.756554	12.052863	0	2	0	0.18181819	0	6	45	20	1	1	23	11	3	2	0	2	0	0.18181819	44	13	0	0	0	0	0	0	14.120955	8.2675848	12.25642	6.203248	10.215178	4.809401	10.292529	5.5604777	9.4617796	5.236382	7.713058	3.1765389	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.0222485	0.76930565	0.7401346	7	6	0	0	0	0	0	0	0	0	67.720932	6.3951464	15.392588	3.5340168	-3.2059937	-19.41781	10.423069	-7.9871197	0.004222634	9.01E-05	0	0	2.59E+12	4.57E+10	-9.7782021	-5.2762184	2.59E+12	4.57E+10	-3.9392874	-12.224558	0	0	8.5961571	4.1874585	13.212008	10.522232	33.304897	6.6607008	13.629063	11.43069	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81699502	-0.38651478	-0.43150508	-0.01928976	0.04745524	3.1303203	2.0783234	-0.89714968	-1.3703276	-0.31035468	-0.34432814	-0.002505066	0.14298879	3.1423492	2.1860728	-0.53425395	-0.48338237	-0.21040775	-0.20834	0.10722204	0.16043587	3.3267074	2.3665345	0.21797732	0.014320168	6.1551886	2.9072011	6.7819748	7.5155182	6.7819748	2.940567	0.72404015	0.92007327	0.72404015	0.92007327	-2.328289	-1.4282674	0	0	0.95388722	4.4551148	7.165029	4.2460785	0	0	14	14	14	14	1	1	0	0	13.648394	9.090909	4.2631578	4.1326532	1.6952908	2.5	13.022482	6.1692924	4.0571489	2.6813617	1.6103241	1.557312	2.6417074	1.5038276	5	3	0	2	1	1	0	0	3.582	0.84200001	-3.4716799	-1.68738	3.2725534	2.4007616	-88505.227	-46150.121	-655666.63	-213193.36	-124.02571	-47.803028	-10.87649	-9.1571102	10.87649	9.1571102	0.70187002	-0.40705001	7.0486565	4.2512074	0	0	1	1	0.54197603	0.29971701	0.76507992	0.70388353	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.1404934	-1.578668	-1.1404934	0.169572	0.21883751	0.19891214	0.3207891	98.274422	27.206198	4.2653861	38.316223	0	0	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	36.764713	37.495354	12.254904	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	9.1548758	0.78448415	0.78697503	0.47116494	0.42843127	0.10538135	0.1356919	0.21551585	0.21302497	0.52883506	0.57156873	0.1101345	0.077333078	192.12025	131.78006	115.38834	71.741409	25.807903	22.721796	52.779854	35.671326	129.51176	95.709976	26.971952	12.949531	0.42857143	0.5	0.75	1	3.6450274	2.4602141	-82636.43	-42333.41	-653627.19	-209065.2	-158.23212	-52.27676	-10.78035	-9.3828201	10.78035	9.3828201	-0.15042999	-0.35644999	2210.6523	902.12683	1038.6576	269.89685	1466.22	633.85114	1916.4272	900.50568	1121.4878	277.06885	776.37323	623.40216	312.79126	1.6558236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	167.45139	0	0	0	0	0	0	244.9001	167.45139	0	0	4	3	1	0	2.7981894	2.442914	4	1	0	0	0	0	0.1	0.18181819	2.3949001	0.79409999	0	43.897076	7.7454643	5.2587838	81.819725	0	0	0	17.643185	27.047791	0	35.383869	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	4.1511898	73.293228	23.862217	0	10.999887	17.643185	0	8.5265026	8.4290028	0	32.897186	75.473625	70.572739	7.7454643	5.2587838	99.978043	35.383869	2.4099162	2.3334084	1.8617485	1.5964022	1.1251426	0.27923176	53.990002	52.32	0.51481563	0.68403846	5.523562	4.4594316	2.5399911	2.4086046	8.4195395	6.6027679	244.9001	167.45139	367.00107	204.23987	263.25	147.875	281.14902	170.41339	30.537619	16.070677	0	0	0	0	0	17.742489	160.29349	109.55946	33.029301	12.949531	30.537619	33.813168	5.3953252	5.0051484	0.23970899	0.19775978	2.6517773	2.941407	1.7756623	2.2728724	0.80558389	1.3862908	0.39811906	0.56084126	0.18423676	0.23217136	0.050205711	0.092002586	0.004379716	0.033553623	0	0.005790888	578.125	439	340.375	256.125	271.25	193.125	245	163	218.5	131.375	157.125	98.25	79.625	57.875	31.75	33	7.228416	6.5	7.1763501	6.5192022	0.5	0.5	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.1421161	-2.2559736	-2.1287825	-2.2545061	-2.1233294	-5.4111814	-6.4073396	-5.3114209	-6.3706994	-5.095974	-6.1575761	1.2020918	1.1720406	230.75	153.5	274.625	192.25	173.75	135.25	66.125	47.125	24.25	17.75	5.75	7.125	0.5	2.875	0	0.625	0.089400925	0.1223301	0.023469388	0.048312884	1.1877036	0.6557731	1.0598711	0.57908589	1.0759208	0.65317345	1.2929488	0.77698535	1.5141792	0.94503182	1.8226515	0.96026289	1.5276124	0.76151299	1.2021793	0.48754361	0.81477576	0.68025154	2.2796693	1.3320113	3.7727251	2.0154154	4.1858115	2.9007404	4.3511286	4.3531113	4.5800614	5.1898084	5.3393946	5.6365938	0	5.6027002	1.4401109	1.2812666	407.4339	298.92297	586.75	383	831.625	743.25	411	430.375	177.75	202.875	66.125	67	24.25	23.625	5.75	7.875	0.5	2.875	0	0.625	600.875	589.75	136.375	238.125	4	67.625	0	19.875	0	5.875	0	0.75	0	0	0	0	282.336	151.16499	627	156	48	13	122	50
Artemisinin	4-methoxybenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1ccc(OC)cc1	3.8050928	2.7908022	-88182.25	-46022.719	-667016.75	-212638.92	-154.65057	-54.113819	-10.56012	-9.3162498	10.56012	9.3162498	0.87564999	-0.16508999	45.079445	22.785137	456.67719	335.47723	0	0	0	0	456.67719	335.47723	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	20	0	1	4	3	20	11	12	7	58.156837	31.909237	1.3846866	1.5954618	0	0	0	0	15	8	0	0	0	0	22	9	0	0	0	1	5	2	0	0	0	0	1.8182865	2.2813592	-2.8763011	-2.259567	-0.46847317	-0.60869431	0.48142555	0.61790943	2.9546874	2.2241788	-2.9138391	-2.4582722	-0.40296918	-0.52005011	0.52481794	0.67466301	2.9398463	2.3450496	-2.6583734	-1.9693396	-0.33618459	-0.4403376	0.60764611	0.78541851	3.1623287	2.5315619	30.756554	12.052863	0	2	0	0.18181819	0	6	45	20	1	1	23	11	3	2	0	2	0	0.18181819	44	13	0	0	0	0	0	0	14.120955	8.2675848	12.25642	6.203248	10.215178	4.809401	10.292529	5.5604777	9.4617796	5.236382	7.713058	3.1765389	6.0543661	2.0713673	6.0990243	2.9663265	7	0	7	0	0	0	0	0	1.0725014	1.0443177	0.76930565	0.7401346	7	7	0	0	0	0	0	0	0	0	67.720932	11.421377	15.392588	3.6022806	-3.2059937	-15.469931	10.423069	-4.0764575	0.004222634	3.76E-14	0	0	2.59E+12	3.32E+09	-9.7782021	-5.5599508	2.59E+12	3.32E+09	-3.9392874	-11.852871	0	0	8.5961571	4.2032394	13.212008	10.610707	33.304897	7.6923141	13.629063	11.393473	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81698471	-0.38651478	-0.42801765	-0.01928976	0.055204235	3.1303203	2.0724409	-0.89714968	-1.3703341	-0.31035468	-0.3240791	-0.002505066	0.14551947	3.1423492	2.1824493	-0.53425395	-0.48338148	-0.21040775	-0.20907372	0.10722204	0.16667524	3.3267074	2.3612549	0.21797732	0.010801971	6.1551886	2.8965302	6.7819748	7.5536389	6.7819748	3.0559096	0.72404015	0.91999841	0.72404015	0.91999841	-2.328289	-1.4228939	0	0	0.95388722	4.4672742	7.165029	4.2477112	0	0	14	14	14	14	1	1	0	0	13.648394	9.090909	4.2631578	4.1326532	1.6952908	2.5	13.022482	6.1692924	4.0571489	2.6813617	1.6103241	1.557312	2.6417074	1.5038276	5	3	0	2	1	1	0	0	3.582	0.80500001	-3.4716799	-1.68738	3.2725534	2.9642148	-88505.227	-46151.426	-655666.63	-211369.16	-124.02571	-49.903641	-10.87649	-9.2033005	10.87649	9.2033005	0.70187002	-0.37575999	7.0486565	4.2512074	0	0	1	1	0.54197603	0.14604449	0.76507992	0.85708708	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.1375433	-1.578668	-1.1375433	0.169572	0.21933587	0.19891214	0.32162181	98.274422	27.206198	4.2653861	38.316223	0	0	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	9.1548758	0.78448415	0.78697503	0.47116494	0.42843127	0.10538135	0.1356919	0.21551585	0.21302497	0.52883506	0.57156873	0.1101345	0.077333078	192.12025	131.78006	115.38834	71.741409	25.807903	22.721796	52.779854	35.671326	129.51176	95.709976	26.971952	12.949531	0.42857143	0.42857143	0.75	0.75	3.6450274	2.9696717	-82636.43	-42333.941	-653627.19	-207259.55	-158.23212	-52.806019	-10.78035	-9.3819904	10.78035	9.3819904	-0.15042999	-0.28814	2210.6523	1021.5976	1038.6576	148.96545	1466.22	874.22925	1916.4272	1020.0005	1121.4878	240.87384	776.37323	779.1087	312.79126	1.6150984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	167.45139	0	0	0	0	0	0	244.9001	167.45139	0	0	4	4	1	0	2.7981894	2.5996466	4	1	0	0	0	0	0.1	0.81818181	2.3949001	0.79409999	0	43.897076	7.7454643	5.2587838	81.819725	0	0	0	17.643185	27.047791	0	35.383869	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	4.1511898	73.293228	23.862217	0	10.999887	17.643185	0	8.5265026	8.4290028	0	32.897186	75.473625	70.572739	7.7454643	5.2587838	99.978043	35.383869	2.4099162	2.6823459	1.8617485	1.248961	1.1251426	0.27878299	53.990002	52.32	0.51481563	0.68403846	5.523562	4.4594316	2.5399911	2.5410447	8.4195395	6.5738969	244.9001	167.45139	367.00107	204.23987	263.25	144.75	281.14902	171.24382	30.537619	16.070677	0	0	0	0	0	17.742489	160.29349	109.55946	33.029301	12.949531	30.537619	33.813168	5.3953252	5.7777185	0.23970899	0.19744363	2.6517773	2.9825158	1.7756623	2.3541722	0.80558389	1.4364007	0.39811906	0.55877298	0.18423676	0.23032868	0.050205711	0.086978264	0.004379716	0.033950612	0	0.004726995	578.125	443.375	340.375	259.25	271.25	192.75	245	160.75	218.5	135.75	157.125	101.875	79.625	65.5	31.75	39.625	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.1104138	-2.2559736	-2.1099284	-2.2545061	-2.0933106	-5.4111814	-6.4074283	-5.3114209	-6.3240848	-5.095974	-6.3221684	1.2020918	1.1757103	230.75	168.875	274.625	204.875	173.75	141	66.125	45.5	24.25	17.125	5.75	7.875	0.5	2.5	0	0.5	0.089400925	0.11997406	0.023469388	0.052099533	1.1877036	0.69625354	1.0598711	0.69731128	1.0759208	0.99574584	1.2929488	1.2582181	1.5141792	1.4440287	1.8226515	0.87712914	1.5276124	0.088403128	1.2021793	0.41167235	0.81477576	0.82210129	2.2796693	1.6333593	3.7727251	2.3517029	4.1858115	3.4187515	4.3511286	4.7999978	4.5800614	5.8536463	5.3393946	6.1035085	0	6.0469999	1.4401109	1.2733648	407.4339	298.0293	586.75	379.5	831.625	765.625	411	449.875	177.75	206.625	66.125	65.5	24.25	23.125	5.75	8.375	0.5	2.5	0	0.5	600.875	596.75	136.375	245	4	65.625	0	20	0	6	0	0.5	0	0	0	0	282.336	151.16499	627	162	48	13	122	50
Artemisinin	2-methylbenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1c(C)cccc1	3.8050928	3.3556333	-88182.25	-38641.793	-667016.75	-181376.33	-154.65057	-22.184971	-10.56012	-9.5841103	10.56012	9.5841103	0.87564999	-0.076520003	45.079445	21.983137	456.67719	316.92264	0	0	0	0	456.67719	316.92264	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	19	0	1	4	2	20	10	12	7	58.156837	28.181297	1.3846866	1.4832262	0	0	0	0	15	8	0	0	0	0	22	9	0	0	0	1	5	1	0	0	0	0	1.8182865	2.4522195	-2.8763011	-2.2949464	-0.46847317	-0.52643955	0.48142555	0.58827847	2.9546874	2.2725887	-2.9138391	-2.4642794	-0.40296918	-0.42567736	0.52481794	0.6819995	2.9398463	2.3768928	-2.6583734	-2.0001154	-0.33618459	-0.3971394	0.60764611	0.72206765	3.1623287	2.5794847	30.756554	10.136863	0	1	0	0.1	0	6	45	19	1	1	23	10	3	2	0	1	0	0.1	44	12	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.7949996	10.215178	4.809401	10.292529	5.5604777	9.4617796	4.7152143	7.713058	3.0701497	6.0543661	2.5773504	6.0990243	3.5605135	7	0	7	0	0	0	0	0	1.0725014	0.98571372	0.76930565	0.6982491	7	5	0	0	0	0	0	0	0	0	67.720932	9.7442207	15.392588	2.2760367	-3.2059937	-11.468521	10.423069	-3.2829742	0.004222634	0.000135167	0	0	2.59E+12	2.68E+11	-9.7782021	-2.0331864	2.59E+12	2.68E+11	-3.9392874	-11.72131	0	0	8.5961571	4.0835924	13.212008	6.7316403	33.304897	6.6674309	13.629063	8.1855469	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81704086	-0.38651478	-0.34146017	-0.01928976	0.060865533	3.1303203	2.103482	-0.89714968	-1.3703308	-0.31035468	-0.22331063	-0.002505066	0.1405925	3.1423492	2.1954825	-0.53425395	-0.4791854	-0.21040775	-0.18358403	0.10722204	0.16048983	3.3267074	2.3959639	0.21797732	0.041193821	6.1551886	1.9822016	6.7819748	6.4323268	6.7819748	1.8845091	0.72404015	1.4805064	0.72404015	1.4805064	-2.328289	-1.6933185	0	0	0.95388722	4.2678919	7.165029	4.040843	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	1.9911112	13.022482	5.2554688	4.0571489	2.0894046	1.6103241	1.1643749	2.6417074	1.09808	5	2	0	2	1	1	0	0	3.582	1.145	-3.4716799	-2.11092	3.2725534	3.5351949	-88505.227	-38732.316	-655666.63	-180127.56	-124.02571	-20.58934	-10.87649	-9.59478	10.87649	9.59478	0.70187002	-0.18227001	7.0486565	4.0626645	0	0	1	1	0.54197603	0.35455284	0.76507992	0.68002295	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.94060105	-1.578668	-0.94060105	0.169572	0.26552799	0.19891214	0.38895503	98.274422	15.004698	4.2653861	17.061544	0	0	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	33.211121	37.495354	36.764713	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	6.6511192	0.78448415	0.78243309	0.47116494	0.59163827	0.10538135	0.13262282	0.21551585	0.21756692	0.52883506	0.40836176	0.1101345	0.084944107	192.12025	119.2801	115.38834	90.193871	25.807903	20.21804	52.779854	33.167572	129.51176	62.253799	26.971952	12.949531	0.42857143	0.40000001	0.75	0.66666669	3.6450274	3.375421	-82636.43	-35571.645	-653627.19	-176212.33	-158.23212	-22.473249	-10.78035	-9.6924801	10.78035	9.6924801	-0.15042999	-0.080159999	2210.6523	640.38373	1038.6576	223.19135	1466.22	428.07513	1916.4272	629.50098	1121.4878	270.05072	776.37323	357.47525	312.79126	12.857742	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	152.44768	0	0	0	0	0	0	244.9001	152.44768	0	0	4	3	1	0	2.7981894	2.1766391	4	1	0	0	0	0	0.1	0.1	2.3949001	1.09392	0	32.897186	7.7454643	5.2587838	81.819725	0	0	0	17.643185	30.233366	0	0	0	0	0	70.572739	75.473625	0	99.978043	33.326015	6.8046999	3.9696901	73.293228	23.862217	0	0	17.643185	0	8.5265026	6.37115	0	32.897186	75.473625	70.572739	7.7454643	5.2587838	99.978043	33.326015	2.4099162	1.934359	1.8617485	1.6966461	1.1251426	0.39260253	53.990002	43.09	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.1508632	8.4195395	6.3392239	244.9001	152.44768	367.00107	193.57848	263.25	137.125	281.14902	161.5265	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	97.059509	33.029301	12.949531	30.537619	31.30941	5.3953252	5.5076456	0.23970899	0.24896024	2.6517773	2.9334712	1.7756623	2.1369221	0.80558389	1.086759	0.39811906	0.48707041	0.18423676	0.22500554	0.050205711	0.093774132	0.004379716	0.036886763	0	0.007750335	578.125	443.75	340.375	248.5	271.25	188.625	245	166.875	218.5	143.125	157.125	116.875	79.625	61.25	31.75	27.125	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.70710677	0.70710677	0.5	0.70710677	0.5	-2.2570698	-2.1767681	-2.2559736	-2.1647606	-2.2545061	-2.1616585	-5.4111814	-6.4895892	-5.3114209	-6.4377151	-5.095974	-6.4141817	1.2020918	1.1453627	230.75	130.75	274.625	146.5	173.75	86.625	66.125	33.875	24.25	14.375	5.75	6.375	0.5	2.75	0	0.5	0.089400925	0.11398277	0.023469388	0.046441946	1.1877036	1.0956171	1.0598711	0.9639799	1.0759208	1.0772038	1.2929488	1.3586004	1.5141792	1.5964013	1.8226515	1.5651569	1.5276124	0.63523316	1.2021793	0.51671469	0.81477576	0.77928686	2.2796693	2.1253989	3.7727251	3.1520483	4.1858115	3.8580523	4.3511286	4.4489665	4.5800614	5.0633683	5.3393946	5.224546	0	5.0328765	1.4401109	1.2822367	407.4339	279.39459	586.75	358.25	831.625	679.625	411	359.25	177.75	157.5	66.125	56	24.25	21.5	5.75	7.75	0.5	2.75	0	0.5	600.875	548.875	136.375	212.75	4	70.875	0	22.125	0	7.125	0	1.375	0	0	0	0	282.336	135.166	627	114	48	12	122	46
Artemisinin	3-methylbenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1cc(C)ccc1	3.8050928	3.3975573	-88182.25	-38642.844	-667016.75	-178162.97	-154.65057	-23.237789	-10.56012	-9.6496096	10.56012	9.6496096	0.87564999	-0.17439	45.079445	21.983137	456.67719	320.50458	0	0	0	0	456.67719	320.50458	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	19	0	1	4	2	20	10	12	7	58.156837	28.181297	1.3846866	1.4832262	0	0	0	0	15	8	0	0	0	0	22	9	0	0	0	1	5	1	0	0	0	0	1.8182865	2.3725212	-2.8763011	-2.2890062	-0.46847317	-0.57894164	0.48142555	0.6277042	2.9546874	2.2538128	-2.9138391	-2.459646	-0.40296918	-0.47437739	0.52481794	0.69100052	2.9398463	2.3759024	-2.6583734	-1.992982	-0.33618459	-0.43203786	0.60764611	0.77357233	3.1623287	2.564034	30.756554	10.136863	0	1	0	0.1	0	6	45	19	1	1	23	10	3	2	0	1	0	0.1	44	12	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.7949996	10.215178	4.809401	10.292529	5.5604777	9.4617796	4.6983771	7.713058	3.0641665	6.0543661	2.5713673	6.0990243	3.5436769	7	0	7	0	0	0	0	0	1.0725014	0.96289223	0.76930565	0.6982491	7	5	0	0	0	0	0	0	0	0	67.720932	1.9848717	15.392588	2.1835983	-3.2059937	-15.04337	10.423069	-9.5909004	0.004222634	6.37E-15	0	0	2.59E+12	6.33E+11	-9.7782021	-3.3202224	2.59E+12	6.33E+11	-3.9392874	-12.476346	0	0	8.5961571	3.9855051	13.212008	5.2123423	33.304897	5.4066691	13.629063	5.4524698	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81707257	-0.38651478	-0.36714935	-0.01928976	0.069303557	3.1303203	2.090143	-0.89714968	-1.3703432	-0.31035468	-0.24521233	-0.002505066	0.1510638	3.1423492	2.1883729	-0.53425395	-0.47907156	-0.21040775	-0.20004645	0.10722204	0.17579947	3.3267074	2.3837216	0.21797732	0.015019448	6.1551886	1.9816669	6.7819748	6.4235063	6.7819748	1.8736858	0.72404015	1.4830941	0.72404015	1.4830941	-2.328289	-1.6928421	0	0	0.95388722	4.2678924	7.165029	4.040843	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.2554688	4.0571489	2.0894046	1.6103241	1.336655	2.6417074	1.09808	5	2	0	2	1	1	0	0	3.582	1.184	-3.4716799	-2.11092	3.2725534	3.4425669	-88505.227	-38729.516	-655666.63	-177262.45	-124.02571	-17.79425	-10.87649	-9.6228704	10.87649	9.6228704	0.70187002	-0.39816001	7.0486565	4.0589261	0	0	1	1	0.54197603	0.26342458	0.76507992	0.74091768	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.93862975	-1.578668	-0.93862975	0.169572	0.26582408	0.19891214	0.38977951	98.274422	15.004698	4.2653861	17.061544	0	0	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	45.466026	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	6.6511192	0.78448415	0.78243309	0.47116494	0.59163827	0.10538135	0.13262282	0.21551585	0.21756692	0.52883506	0.40836176	0.1101345	0.084944107	192.12025	119.2801	115.38834	90.193871	25.807903	20.21804	52.779854	33.167572	129.51176	62.253799	26.971952	12.949531	0.42857143	0.40000001	0.75	0.66666669	3.6450274	3.3851993	-82636.43	-35572.828	-653627.19	-173424.64	-158.23212	-23.6556	-10.78035	-9.6903696	10.78035	9.6903696	-0.15042999	-0.31608999	2210.6523	729.42969	1038.6576	191.73344	1466.22	539.27649	1916.4272	727.84949	1121.4878	213.15866	776.37323	514.69073	312.79126	1.5803201	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	152.44768	0	0	0	0	0	0	244.9001	152.44768	0	0	4	3	1	0	2.7981894	2.3230469	4	1	0	0	0	0	0.1	0.1	2.3949001	1.09392	0	32.897186	7.7454643	5.2587838	81.819725	0	0	0	17.643185	30.233366	0	0	0	0	0	70.572739	75.473625	0	99.978043	33.326015	6.8046999	3.9696901	73.293228	23.862217	0	0	17.643185	0	8.5265026	6.37115	0	32.897186	75.473625	70.572739	7.7454643	5.2587838	99.978043	33.326015	2.4099162	2.343612	1.8617485	1.432463	1.1251426	0.28721869	53.990002	43.09	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.2245147	8.4195395	6.3255587	244.9001	152.44768	367.00107	193.57848	263.25	140.375	281.14902	162.81767	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	97.059509	33.029301	12.949531	30.537619	31.30941	5.3953252	5.8931985	0.23970899	0.22512236	2.6517773	2.9285431	1.7756623	2.0772357	0.80558389	1.1664014	0.39811906	0.48307699	0.18423676	0.22631633	0.050205711	0.091122448	0.004379716	0.037723511	0	0.002318737	578.125	439.625	340.375	255.25	271.25	194	245	170.875	218.5	147	157.125	104	79.625	58.375	31.75	31.875	7.228416	6.5	7.1763501	0.5	0.5	6.5192022	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.0950401	-2.2559736	-2.0781298	-2.2545061	-2.0758641	-5.4111814	-6.4584117	-5.3114209	-6.4049492	-5.095974	-5.9722304	1.2020918	1.1572834	230.75	135.125	274.625	145.375	173.75	101.75	66.125	38.5	24.25	16.25	5.75	7.25	0.5	3	0	0.25	0.089400925	0.11340206	0.023469388	0.045354791	1.1877036	1.1332322	1.0598711	1.0308877	1.0759208	1.256081	1.2929488	1.5414611	1.5141792	1.802081	1.8226515	1.5866282	1.5276124	0.74815756	1.2021793	0.46073383	0.81477576	0.91160041	2.2796693	2.3083344	3.7727251	3.3034763	4.1858115	4.1188235	4.3511286	4.6437812	4.5800614	5.2100401	5.3393946	5.532908	0	5.4720721	1.4401109	1.2791324	407.4339	286.81549	586.75	366.875	831.625	691.75	411	368.375	177.75	167.5	66.125	57.375	24.25	22	5.75	7.75	0.5	3	0	0.25	600.875	556.625	136.375	223	4	65.75	0	18.875	0	5.75	0	0.5	0	0	0	0	282.336	135.166	627	117	48	11	122	46
Artemisinin	4-methylbenzamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1ccc(C)cc1	3.8050928	3.805017	-88182.25	-38643.016	-667016.75	-177404.09	-154.65057	-23.245331	-10.56012	-9.65347	10.56012	9.65347	0.87564999	-0.21768001	45.079445	21.983137	456.67719	321.11249	0	0	0	0	456.67719	321.11249	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	19	0	1	4	2	20	10	12	7	58.156837	28.181297	1.3846866	1.4832262	0	0	0	0	15	8	0	0	0	0	22	9	0	0	0	1	5	1	0	0	0	0	1.8182865	2.3101141	-2.8763011	-2.2873402	-0.46847317	-0.64700824	0.48142555	0.69764048	2.9546874	2.2483799	-2.9138391	-2.4589057	-0.40296918	-0.53807992	0.52481794	0.69487619	2.9398463	2.3756328	-2.6583734	-1.9910978	-0.33618459	-0.47558349	0.60764611	0.85431087	3.1623287	2.5595021	30.756554	10.136863	0	1	0	0.1	0	6	45	19	1	1	23	10	3	2	0	1	0	0.1	44	12	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.7949996	10.215178	4.809401	10.292529	5.5604777	9.4617796	4.6983771	7.713058	3.0641665	6.0543661	2.5713673	6.0990243	3.5436769	7	0	7	0	0	0	0	0	1.0725014	0.96289223	0.76930565	0.6982491	7	6	0	0	0	0	0	0	0	0	67.720932	1.7620943	15.392588	2.2089384	-3.2059937	-15.279956	10.423069	-9.8216419	0.004222634	4.26E-14	0	0	2.59E+12	3.92E+09	-9.7782021	-1.7270333	2.59E+12	3.92E+09	-3.9392874	-12.511865	0	0	8.5961571	3.9617312	13.212008	5.1879759	33.304897	5.4130669	13.629063	5.4583135	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.8170014	-0.38651478	-0.38691753	-0.01928976	0.080421023	3.1303203	2.0835216	-0.89714968	-1.3703294	-0.31035468	-0.26386139	-0.002505066	0.16445385	3.1423492	2.1845284	-0.53425395	-0.47882202	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.3775785	0.21797732	0.013499177	6.1551886	1.9816463	6.7819748	6.4246197	6.7819748	1.8747274	0.72404015	1.4827996	0.72404015	1.4827996	-2.328289	-1.6924021	0	0	0.95388722	4.2678924	7.165029	4.040843	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	2.2857144	13.022482	5.2554688	4.0571489	2.0894046	1.6103241	1.336655	2.6417074	1.09808	5	2	0	2	1	1	0	0	3.582	1.147	-3.4716799	-2.11092	3.2725534	3.4966872	-88505.227	-38729.77	-655666.63	-176482.55	-124.02571	-18.04668	-10.87649	-9.6500702	10.87649	9.6500702	0.70187002	-0.46908	7.0486565	4.0589261	0	0	1	1	0.54197603	0.17617375	0.76507992	0.82792163	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.93841612	-1.578668	-0.93841612	0.169572	0.26587591	0.19891214	0.38986835	98.274422	15.004698	4.2653861	17.061544	0	0	0	17.238026	12.263453	12.949531	14.708499	0	0	0	44.851616	43.257484	37.495354	26.718348	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	6.6511192	0.78448415	0.78243309	0.47116494	0.59163827	0.10538135	0.13262282	0.21551585	0.21756692	0.52883506	0.40836176	0.1101345	0.084944107	192.12025	119.2801	115.38834	90.193871	25.807903	20.21804	52.779854	33.167572	129.51176	62.253799	26.971952	12.949531	0.42857143	0.5	0.75	1	3.6450274	3.7616386	-82636.43	-35572.949	-653627.19	-172734.45	-158.23212	-23.77895	-10.78035	-9.6449203	10.78035	9.6449203	-0.15042999	-0.34959999	2210.6523	773.29382	1038.6576	135.95567	1466.22	638.9184	1916.4272	771.71356	1121.4878	253.41277	776.37323	518.30072	312.79126	1.5803201	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	152.44768	0	0	0	0	0	0	244.9001	152.44768	0	0	4	3	1	0	2.7981894	2.3918753	4	1	0	0	0	0	0.1	0.1	2.3949001	1.09392	0	32.897186	7.7454643	5.2587838	81.819725	0	0	0	17.643185	30.233366	0	0	0	0	0	70.572739	75.473625	0	99.978043	33.326015	6.8046999	3.9696901	73.293228	23.862217	0	0	17.643185	0	8.5265026	6.37115	0	32.897186	75.473625	70.572739	7.7454643	5.2587838	99.978043	33.326015	2.4099162	2.4720409	1.8617485	1.3010706	1.1251426	0.28721645	53.990002	43.09	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.3442218	8.4195395	6.3056221	244.9001	152.44768	367.00107	193.57848	263.25	140.375	281.14902	162.1768	30.537619	13.566921	0	0	0	0	0	17.742489	160.29349	97.059509	33.029301	12.949531	30.537619	31.30941	5.3953252	6.2479401	0.23970899	0.23329835	2.6517773	2.9396281	1.7756623	2.1289504	0.80558389	1.164983	0.39811906	0.48218927	0.18423676	0.22758242	0.050205711	0.094376348	0.004379716	0.038869463	0	0.003747573	578.125	446.5	340.375	259.75	271.25	195.75	245	173.25	218.5	152.875	157.125	114.625	79.625	67.75	31.75	36	7.228416	2.0615528	7.1763501	0.5	0.5	1.5811388	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.0697124	-2.2559736	-2.0691376	-2.2545061	-2.0578001	-5.4111814	-6.3207417	-5.3114209	-6.2385993	-5.095974	-5.9944386	1.2020918	1.162964	230.75	143.25	274.625	150.625	173.75	99.875	66.125	36.75	24.25	16.125	5.75	8	0.5	3.25	0	0.25	0.089400925	0.11302682	0.023469388	0.05050505	1.1877036	1.1418591	1.0598711	1.1099908	1.0759208	1.4421363	1.2929488	1.7202605	1.5141792	1.9524918	1.8226515	1.4032946	1.5276124	0.52573556	1.2021793	0.54823792	0.81477576	0.93121225	2.2796693	2.3865438	3.7727251	3.502857	4.1858115	4.3332839	4.3511286	4.8114443	4.5800614	5.4735327	5.3393946	5.5899043	0	5.3257923	1.4401109	1.26926	407.4339	286.58432	586.75	363.75	831.625	701.375	411	377.625	177.75	166.125	66.125	56.375	24.25	22.125	5.75	8.75	0.5	3.25	0	0.25	600.875	558.125	136.375	227	4	66.25	0	19.625	0	6	0	0.75	0	0	0	0	282.336	135.166	627	120	48	11	122	46
Artemisinin	1,4-di-4-pyridyl-ethylene	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	C(=Cc1ccncc1)c1ccncc1	3.8050928	0.010862781	-88182.25	-48112.945	-667016.75	-255000.92	-154.65057	81.096527	-10.56012	-9.4252901	10.56012	9.4252901	0.87564999	-0.84772003	45.079445	29.98793	456.67719	404.16452	0	0	0	0	456.67719	404.16452	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	12	0	0	42	24	0	0	4	2	20	14	12	12	58.156837	31.800268	1.3846866	1.3250113	0	0	0	0	15	12	0	0	0	0	22	10	0	0	0	2	5	0	0	0	0	0	1.8182865	1.6164044	-2.8763011	-2.2044134	-0.46847317	-0.66702068	0.48142555	0.74149603	2.9546874	2.1568201	-2.9138391	-2.0373456	-0.40296918	-0.56666875	0.52481794	0.83991963	2.9398463	2.3416784	-2.6583734	-1.8581784	-0.33618459	-0.5199827	0.60764611	0.89830351	3.1623287	2.5111065	30.756554	13.57207	0	2	0	0.13333334	0	12	45	25	1	1	23	15	3	1	0	2	0	0.13333334	44	12	0	0	0	0	0	0	14.120955	9.6399822	12.25642	7.6679296	10.215178	6.7735028	10.292529	8.2257681	9.4617796	6.9494896	7.713058	4.4315128	6.0543661	3.3987174	6.0990243	4.9494896	7	0	7	0	0	0	0	0	1.0725014	0.93509173	0.76930565	0.67830426	7	9	0	0	0	0	0	0	0	0	67.720932	17.62512	15.392588	5.7716765	-3.2059937	-13.739909	10.423069	-1.2873505	0.004222634	0.000541823	0	0	2.59E+12	2.66E+11	-9.7782021	-0.64296782	2.59E+12	2.66E+11	-3.9392874	-12.491131	0	0	8.5961571	9.7474957	13.212008	14.650524	33.304897	3.3927557	13.629063	12.452559	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75137717	-0.38651478	-0.38316345	-0.01928976	0.10269648	3.1303203	2.1410177	-0.89714968	-0.72454244	-0.31035468	-0.26691765	-0.002505066	0.18360895	3.1423492	2.2988894	-0.53425395	-0.4058913	-0.21040775	-0.21605732	0.10722204	0.21968848	3.3267074	2.4630404	0.21797732	0.030871304	6.1551886	4.1742759	6.7819748	3.8632293	6.7819748	3.8632293	0.72404015	2.606158	0.72404015	2.6551423	-2.328289	-3.1315436	0	0	0.95388722	7.246891	7.165029	5.7308898	0	0.10992555	14	14	14	7.922297	1	1.4210818	0	0.068324946	13.648394	10.515555	4.2631578	5.7777777	1.6952908	3.5918367	13.022482	6.6259599	4.0571489	3.494787	1.6103241	2.1049683	2.6417074	1.6540228	5	2	0	0	1	1	0	0	3.582	2.3878	-3.4716799	-1.74278	3.2725534	0.04588028	-88505.227	-48156.379	-655666.63	-253531.14	-124.02571	75.322639	-10.87649	-9.7930298	10.87649	9.7930298	0.70187002	-0.40733001	7.0486565	5.800036	0	0	1	1	0.54197603	0.090893909	0.76507992	0.93597847	19	13	1	1	4	2	1	2	0	0	0	0	0	0	1.578668	0.82437742	-1.578668	-0.82437742	0.169572	0.10062321	0.19891214	0.31929779	98.274422	66.983665	4.2653861	42.653858	0	0	0	0	12.263453	0	14.708499	0	0	0	44.851616	53.436695	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	11.365152	2.503756	0	0.78448415	0.94287407	0.47116494	0.44891694	0.10538135	0.057125907	0.21551585	0.057125907	0.52883506	0.55108309	0.1101345	0	192.12025	187.58403	115.38834	89.311653	25.807903	11.365152	52.779854	11.365152	129.51176	109.63752	26.971952	0	0.42857143	0.44444445	0.75	0.80000001	3.6450274	0.001	-82636.43	-43786.758	-653627.19	-248666.67	-158.23212	75.35968	-10.78035	-9.3493099	10.78035	9.3493099	-0.15042999	-1.12825	2210.6523	2069.7842	1038.6576	185.63654	1466.22	1911.5889	1916.4272	2042.3428	1121.4878	1797.0996	776.37323	225.57785	312.79126	47.106693	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	198.94917	0	0	0	0	0	0	244.9001	198.94917	0	0	4	5	1	0	2.7981894	3.370213	4	2	0	0	0	0	0.1	0.14285715	2.3949001	2.6470001	0	0	7.7454643	33.57106	81.819725	0	0	0	17.643185	6.37115	0	0	0	0	0	139.43016	75.473625	35.286369	99.978043	0	6.8046999	5.7402	73.293228	0	0	33.57106	17.643185	0	8.5265026	6.37115	0	0	75.473625	139.43016	7.7454643	35.286369	99.978043	0	2.4099162	3.1723285	1.8617485	1.3673902	1.1251426	0.5573855	53.990002	25.780001	0.51481563	0.61744827	5.523562	4.9068904	2.5399911	2.948199	8.4195395	7.2638764	244.9001	198.94917	367.00107	268.64935	263.25	194.875	281.14902	216.37706	30.537619	11.365152	0	0	0	0	0	0	160.29349	180.46606	33.029301	0	30.537619	11.365152	5.3953252	0.27585337	0.23970899	0.27404651	2.6517773	2.9088469	1.7756623	2.300051	0.80558389	0.82757974	0.39811906	0.32723176	0.18423676	0.17741248	0.050205711	0.064918734	0.004379716	0	0	0	578.125	669.25	340.375	393.625	271.25	284.75	245	246.375	218.5	220.5	157.125	195.75	79.625	132	31.75	72.875	7.228416	0.5	7.1763501	1	0.5	1.5	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.0797131	-2.2559736	-2.0696242	-2.2545061	-2.0598032	-5.4111814	-4.9466701	-5.3114209	-4.8765273	-5.095974	-4.8474469	1.2020918	1.2057076	230.75	257.875	274.625	286	173.75	148.125	66.125	53.75	24.25	21.25	5.75	5.875	0.5	0	0	0	0.089400925	0.074626863	0.023469388	0.023845764	1.1877036	0.056880187	1.0598711	0.029260693	1.0759208	0.048931852	1.2929488	0.048138678	1.5141792	0.095551558	1.8226515	0.1178335	1.5276124	0.08131481	1.2021793	0.15320767	0.81477576	0.048521291	2.2796693	0.12499222	3.7727251	0.24645244	4.1858115	0.21466774	4.3511286	0.24297142	4.5800614	0.2827796	5.3393946	0	0	0	1.4401109	1.3465495	407.4339	359.43719	586.75	484	831.625	921.875	411	469.875	177.75	149.375	66.125	53.75	24.25	21.25	5.75	5.875	0.5	0	0	0	600.875	664	136.375	183.875	4	1.25	0	0	0	0	0	0	0	0	0	0	282.336	182.226	627	343	48	15	122	66
Artemisinin	1,4-diaminocyclohexane	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	NC1CCC(N)CC1	3.8050928	2.0820177	-88182.25	-31740.645	-667016.75	-159296.81	-154.65057	-28.797331	-10.56012	-9.8086004	10.56012	9.8086004	0.87564999	3.316	45.079445	22.095102	456.67719	305.88977	0	0	0	0	456.67719	305.88977	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	0	0	0	42	22	0	2	4	4	20	8	12	6	58.156837	27.294752	1.3846866	1.2406706	0	0	0	0	15	6	0	0	0	0	22	14	0	0	0	2	5	0	0	0	0	0	1.8182865	2.1923771	-2.8763011	-2.7997441	-0.46847317	-0.51736492	0.48142555	0.5809471	2.9546874	2.7387271	-2.9138391	-2.866014	-0.40296918	-0.46955273	0.52481794	0.6308341	2.9398463	2.7771697	-2.6583734	-2.5391109	-0.33618459	-0.41581756	0.60764611	0.68289524	3.1623287	2.9965098	30.756554	13.984898	0	0	0	0	0	0	45	22	1	0	23	8	3	3	0	0	0	0	44	22	0	0	0	0	0	0	14.120955	5.9831276	12.25642	5.1378284	10.215178	3.9831276	10.292529	3.9831276	9.4617796	3.7876937	7.713058	3.2996597	6.0543661	2.6329932	6.0990243	2.6329932	7	0	7	0	0	0	0	0	1.0725014	0.87587345	0.76930565	0.64912152	7	5	0	0	0	0	0	0	0	0	67.720932	-13.00201	15.392588	1.1018527	-3.2059937	-20.062786	10.423069	-18.040413	0.004222634	0	0	0	2.59E+12	3.57E+09	-9.7782021	-1.7636404	2.59E+12	3.57E+09	-3.9392874	-9.4022789	0	0	8.5961571	1.1242574	13.212008	1.5102587	33.304897	2.8122919	13.629063	2.0223734	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.84503287	-0.38651478	-0.3402319	-0.01928976	0.078169182	3.1303203	2.4301589	-0.89714968	-1.3644245	-0.31035468	-0.28023657	-0.002505066	0.13445222	3.1423492	2.4583025	-0.53425395	-0.52231193	-0.21040775	-0.20051949	0.10722204	0.16626	3.3267074	2.6553302	0.21797732	0.1808807	6.1551886	4.1323338	6.7819748	2.317699	6.7819748	0.88396704	0.72404015	-5.7689509	0.72404015	-0.031179432	-2.328289	-0.42203584	0	0	0.95388722	0	7.165029	3.3901761	0	1.9959784	14	14	14	3.6480596	1	1.0265495	0	7.8902826	13.648394	6.125	4.2631578	2.52	1.6952908	1.8	13.022482	6.125	4.0571489	2.52	1.6103241	1.8	2.6417074	1.9293751	5	2	0	4	1	1	0	0	3.582	0.116	-3.4716799	0.070819996	3.2725534	2.4015508	-88505.227	-31856.959	-655666.63	-158032.72	-124.02571	-16.81019	-10.87649	-10.46096	10.87649	10.46096	0.70187002	2.92646	7.0486565	3.3402157	0	0	1	1	0.54197603	0.26545945	0.76507992	0.81095606	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	0.7998895	-1.578668	-0.7998895	0.169572	0.14811024	0.19891214	0.4091076	98.274422	48.945782	4.2653861	0	0	34.476051	0	0	12.263453	0	14.708499	0	0	0	44.851616	34.805252	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	13.302238	0.78448415	0.89886487	0.47116494	0.36575487	0.10538135	0.10113516	0.21551585	0.10113516	0.52883506	0.6342451	0.1101345	0	192.12025	118.22709	115.38834	48.107491	25.807903	13.302238	52.779854	13.302238	129.51176	83.421829	26.971952	0	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.0543664	-82636.43	-28881.787	-653627.19	-155013.47	-158.23212	-20.844931	-10.78035	-9.52069	10.78035	9.52069	-0.15042999	2.8106401	2210.6523	479.5889	1038.6576	122.62613	1466.22	374.61243	1916.4272	461.93924	1121.4878	189.26695	776.37323	252.72394	312.79126	37.598007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	131.52933	0	0	0	0	0	0	244.9001	131.52933	0	0	4	3	1	0	2.7981894	2.0493529	4	1	0	0	0	0	0.1	1	2.3949001	0.215	0	65.794373	7.7454643	0	81.819725	7.9639373	0	0	17.643185	0	0	0	0	0	0	0	75.473625	75.473625	99.978043	0	6.8046999	3.44188	73.293228	0	0	0	17.643185	0	8.5265026	7.9639373	0	65.794373	75.473625	75.473625	7.7454643	0	99.978043	0	2.4099162	1.8371292	1.8617485	1.235674	1.1251426	0.78133237	53.990002	52.040001	0.51481563	0.8112781	5.523562	4	2.5399911	1.9905418	8.4195395	5.649457	244.9001	131.52933	367.00107	175.91776	263.25	130.375	281.14902	159.05701	30.537619	0	0	0	0	0	0	0	160.29349	76.63308	33.029301	0	30.537619	35.484978	5.3953252	1.1047431	0.23970899	0.11352649	2.6517773	3.1996081	1.7756623	2.7654889	0.80558389	1.7069497	0.39811906	0.76149654	0.18423676	0.29568788	0.050205711	0.024747062	0.004379716	0	0	0	578.125	239.375	340.375	138.5	271.25	110.5	245	93.125	218.5	71.375	157.125	54.875	79.625	17.125	31.75	2.375	7.228416	1	7.1763501	1.8708287	0.5	2.7386129	0.70710677	8.3815269	0.70710677	8.0777473	0.70710677	0.70710677	-2.2570698	-1.6921561	-2.2559736	-1.688846	-2.2545061	-1.6853443	-5.4111814	-4.4841499	-5.3114209	-4.4673147	-5.095974	-4.4401245	1.2020918	1.1434197	230.75	173.375	274.625	201.25	173.75	112.25	66.125	36.375	24.25	12.25	5.75	1.75	0.5	0	0	0	0.089400925	0.20248869	0.023469388	0.018791946	1.1877036	0.27956796	1.0598711	0.26303667	1.0759208	0.26156902	1.2929488	0.27849388	1.5141792	0.4252798	1.8226515	0.4017095	1.5276124	0.58360362	1.2021793	1.3197666	0.81477576	0.11135778	2.2796693	0.19106238	3.7727251	0.28971753	4.1858115	0.42108369	4.3511286	0.84791458	4.5800614	2.7025557	5.3393946	0	0	0	1.4401109	1.2416261	407.4339	260.64609	586.75	323.625	831.625	735.125	411	481.375	177.75	235.75	66.125	75.875	24.25	22.375	5.75	1.75	0.5	0	0	0	600.875	561.75	136.375	280.125	4	123.5	0	39.5	0	10.125	0	0	0	0	0	0	282.336	114.192	627	62	48	7	122	36
Artemisinin	1,4-diethynylbenzene	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	C(#C)c1ccc(C#C)cc1	3.8050928	0.001	-88182.25	-31328.162	-667016.75	-139565.73	-154.65057	131.01471	-10.56012	-9.0723801	10.56012	9.0723801	0.87564999	-0.41354999	45.079445	21.600758	456.67719	347.13049	0	0	0	0	456.67719	347.13049	0	0	0	1	0	1	1	0	1	0	4	0	0	0	0	6	0	0	42	16	0	0	4	0	20	10	12	10	58.156837	15.270944	1.3846866	0.95443398	0	0	0	0	15	10	0	0	0	0	22	6	0	0	0	0	5	0	0	0	0	0	1.8182865	2.2263873	-2.8763011	-2.1373711	-0.46847317	-0.64369845	0.48142555	0.70237356	2.9546874	2.1062722	-2.9138391	-1.9876816	-0.40296918	-0.53807992	0.52481794	0.80591482	2.9398463	2.2572131	-2.6583734	-1.808036	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.4408255	30.756554	6.5592418	0	0	0	0	0	6	45	16	1	0	23	10	3	1	0	2	0	0.2	44	8	0	2	0	0	0	0	14.120955	7.3973413	12.25642	5.4641018	10.215178	5.4641018	10.292529	7.3973413	9.4617796	4.8637033	7.713058	2.8987174	6.0543661	2.8987174	6.0990243	4.8637033	7	0	7	0	0	0	0	0	1.0725014	0.85313946	0.76930565	0.6215297	7	7	0	0	0	0	0	0	0	0	67.720932	9.3607559	15.392588	1.7698731	-3.2059937	1.1571995	10.423069	3.696609	0.004222634	0.000544437	0	0	2.59E+12	8.57E+11	-9.7782021	-1.0819687	2.59E+12	8.57E+11	-3.9392874	-2.1730783	0	0	8.5961571	2.5941398	13.212008	2.3283687	33.304897	1.2995893	13.629063	2.5394094	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.73099077	-0.38651478	-0.38274822	-0.01928976	0.082158238	3.1303203	1.9275067	-0.89714968	-0.59658593	-0.31035468	-0.2661306	-0.002505066	0.16445385	3.1423492	2.065053	-0.53425395	-0.39373085	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.2536817	0.21797732	3.99E-06	6.1551886	0	6.7819748	3.112905	6.7819748	3.112905	0.72404015	2.6872518	0.72404015	2.6872518	-2.328289	-3.060251	0	0	0.95388722	5.604475	7.165029	4.1075592	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	4	1.6952908	2.2857144	13.022482	4.4932251	4.0571489	2.0488591	1.6103241	1.0951251	2.6417074	0.92059851	5	0	0	0	1	1	0	0	3.582	2.862	-3.4716799	-3.1693001	3.2725534	0.003	-88505.227	-31330.584	-655666.63	-139177.52	-124.02571	126.45347	-10.87649	-8.8200703	10.87649	8.8200703	0.70187002	-0.37729001	7.0486565	4.257359	0	0	1	1	0.54197603	0.11298927	0.76507992	0.88701379	19	8	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	0.5478555	-1.578668	-0.5478555	0.169572	0.22479902	0.19891214	0.20791329	98.274422	4.4170794	4.2653861	17.061544	0	8.5307722	0	0	12.263453	0	14.708499	0	0	0	44.851616	49.019615	37.495354	31.616989	0	51.709717	7.2334704	0	7.2334704	0	16.070677	0	2.503756	0	0.78448415	1	0.47116494	0.81516266	0.10538135	0	0.21551585	0	0.52883506	0.18483731	0.1101345	0	192.12025	162.35571	115.38834	132.34633	25.807903	0	52.779854	0	129.51176	30.009396	26.971952	0	0.42857143	0.42857143	0.75	0.75	3.6450274	0.004123106	-82636.43	-29354.775	-653627.19	-135948.11	-158.23212	125.86084	-10.78035	-9.1653605	10.78035	9.1653605	-0.15042999	-0.43713999	2210.6523	803.60425	1038.6576	90.798523	1466.22	712.80695	1916.4272	803.60303	1121.4878	654.18982	776.37323	58.679176	312.79126	90.735275	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	162.35571	0	0	0	0	0	0	244.9001	162.35571	0	0	4	4	1	0	2.7981894	2.5238512	4	1	0	0	0	0	0.1	0	2.3949001	1.6492161	0	0	7.7454643	0	81.819725	0	0	34.061146	17.643185	69.347519	0	0	0	0	0	70.572739	75.473625	0	99.978043	0	6.8046999	4.2312002	73.293228	0	0	0	17.643185	0	8.5265026	40.432297	0	0	75.473625	70.572739	7.7454643	62.976368	99.978043	0	2.4099162	2.649076	1.8617485	1.2439507	1.1251426	0.005290208	53.990002	0	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.4572477	8.4195395	6.2873545	244.9001	162.35571	367.00107	202.97984	263.25	147.875	281.14902	171.34973	30.537619	0	0	0	0	0	0	0	160.29349	158.08495	33.029301	0	30.537619	0	5.3953252	0.045894135	0.23970899	0	2.6517773	2.7729738	1.7756623	1.8282017	0.80558389	0.31213975	0.39811906	0	0.18423676	0	0.050205711	0	0.004379716	0	0	0	578.125	698.875	340.375	407.625	271.25	299	245	262.75	218.5	243.5	157.125	213.625	79.625	129.625	31.75	70.5	7.228416	0.5	7.1763501	0.5	0.5	1	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.1778226	-2.2559736	-2.1435533	-2.2545061	-2.1227496	-5.4111814	-1.3298225	-5.3114209	-1.2955532	-5.095974	-1.2747496	1.2020918	1.185305	230.75	114.25	274.625	76.125	173.75	20.625	66.125	0	24.25	0	5.75	0	0.5	0	0	0	0.089400925	0	0.023469388	0	1.1877036	0.016708031	1.0598711	0.052262995	1.0759208	0.045894135	1.2929488	0.023944002	1.5141792	0.01010877	1.8226515	0.064838432	1.5276124	0.14705029	1.2021793	0.26285324	0.81477576	0.007906283	2.2796693	0.071197361	3.7727251	0.13659579	4.1858115	0	4.3511286	0	4.5800614	0	5.3393946	0	0	0	1.4401109	1.2798891	407.4339	308.52283	586.75	394.875	831.625	684.25	411	238	177.75	24.125	66.125	0	24.25	0	5.75	0	0.5	0	0	0	600.875	570	136.375	161.875	4	3.5	0	0	0	0	0	0	0	0	0	0	282.336	126.158	627	125	48	11	122	44
Artemisinin	1-naphthol	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Oc1c2c(ccc1)cccc2	3.8050928	0.90184253	-88182.25	-39440.98	-667016.75	-192448.5	-154.65057	-2.9854	-10.56012	-8.4552202	10.56012	8.4552202	0.87564999	-0.24713001	45.079445	23.736343	456.67719	329.21103	0	0	0	0	456.67719	329.21103	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	10	0	0	42	19	0	1	4	2	20	11	12	10	58.156837	23.491343	1.3846866	1.2363864	0	0	0	0	15	10	0	0	0	0	22	8	0	0	0	0	5	1	0	0	0	0	1.8182865	2.0351064	-2.8763011	-2.2147446	-0.46847317	-0.61994416	0.48142555	0.68004495	2.9546874	2.1682215	-2.9138391	-1.9957646	-0.40296918	-0.51837909	0.52481794	0.74378252	2.9398463	2.4110813	-2.6583734	-1.8662879	-0.33618459	-0.47135535	0.60764611	0.83146608	3.1623287	2.5250261	30.756554	8.745656	0	0	0	0	0	11	45	20	1	0	23	12	3	1	0	0	0	0	44	9	0	0	0	0	0	0	14.120955	7.6817985	12.25642	5.9886656	10.215178	5.5414519	10.292529	6.6817985	9.4617796	5.3770099	7.713058	3.5449741	6.0543661	3.3213673	6.0990243	4.7996597	7	0	7	0	0	0	0	0	1.0725014	0.9524228	0.76930565	0.68847436	7	5	0	0	0	0	0	0	0	0	67.720932	19.82962	15.392588	4.4500403	-3.2059937	1.08676	10.423069	7.0016513	0.004222634	0.000273574	0	0	2.59E+12	3.54E+11	-9.7782021	-2.1105497	2.59E+12	3.54E+11	-3.9392874	-9.1421833	0	0	8.5961571	6.4019265	13.212008	6.7066011	33.304897	1.9757284	13.629063	5.9148912	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76207113	-0.38651478	-0.39202198	-0.01928976	0.086442307	3.1303203	2.1565161	-0.89714968	-0.76176792	-0.31035468	-0.25430718	-0.002505066	0.14885677	3.1423492	2.3762729	-0.53425395	-0.42726976	-0.21040775	-0.2060667	0.10722204	0.20462957	3.3267074	2.4895563	0.21797732	1.24E-06	6.1551886	0.82531238	6.7819748	3.7799976	6.7819748	1.8812728	0.72404015	2.4804068	0.72404015	2.4679565	-2.328289	-2.453665	0	0	0.95388722	5.4831028	7.165029	4.4411898	0	-0.042003922	14	8.3580742	14	14	1	1.1903665	0	0.025582379	13.648394	7.6388888	4.2631578	3.1640625	1.6952908	1.4512472	13.022482	5.0985627	4.0571489	2.0149336	1.6103241	0.88558501	2.6417074	0.9339332	5	1	0	1	1	1	0	0	3.582	2.8180001	-3.4716799	-2.90081	3.2725534	0.87720692	-88505.227	-39508.422	-655666.63	-191689.38	-124.02571	-8.2557697	-10.87649	-8.3133202	10.87649	8.3133202	0.70187002	-0.31654	7.0486565	4.5097013	0	0	1	1	0.54197603	0.36408758	0.76507992	0.63591343	19	11	1	1	4	2	1	0	0	0	0	0	0	0	1.578668	0.74635381	-1.578668	-0.74635381	0.169572	0.29119956	0.19891214	0.48130825	98.274422	2.2085397	4.2653861	38.316223	0	0	0	0	12.263453	10.324173	14.708499	0	0	0	44.851616	14.463444	37.495354	73.529427	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	7.7675405	0.78448415	0.87659919	0.47116494	0.65316719	0.10538135	0.052981209	0.21551585	0.12340082	0.52883506	0.34683284	0.1101345	0.07041961	192.12025	128.51762	115.38834	95.760406	25.807903	7.7675405	52.779854	18.091713	129.51176	50.848934	26.971952	10.324173	0.42857143	0.40000001	0.75	0.66666669	3.6450274	0.90319985	-82636.43	-36922.77	-653627.19	-188146.44	-158.23212	-3.0116601	-10.78035	-8.5436096	10.78035	8.5436096	-0.15042999	-0.35703	2210.6523	717.36011	1038.6576	261.18176	1466.22	456.17871	1916.4272	717.35974	1121.4878	447.33923	776.37323	269.66751	312.79126	0.3533915	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	146.60934	0	0	0	0	0	0	244.9001	146.60934	0	0	4	3	1	0	2.7981894	2.2306254	4	2	0	0	0	0	0.1	1	2.3949001	2.5453999	0	25.385227	7.7454643	0	81.819725	0	0	0	17.643185	0	0	0	0	0	0	128.64822	75.473625	0	99.978043	5.2434282	6.8046999	4.5612798	73.293228	0	0	25.385227	17.643185	0	8.5265026	5.2434282	0	5.1459289	75.473625	123.50229	7.7454643	0	99.978043	0	2.4099162	2.1526189	1.8617485	1.6553853	1.1251426	0.002400921	53.990002	20.23	0.51481563	0.71860999	5.523562	4.5849624	2.5399911	2.1648667	8.4195395	6.6281958	244.9001	146.60934	367.00107	209.40939	263.25	151.375	281.14902	167.32895	30.537619	0	0	0	0	0	0	0	160.29349	123.53506	33.029301	0	30.537619	13.566921	5.3953252	4.9387445	0.23970899	1.1761645	2.6517773	2.8159373	1.7756623	1.9026463	0.80558389	0.59902573	0.39811906	0.1595422	0.18423676	0.051960394	0.050205711	0.004011001	0.004379716	0	0	0	578.125	545.25	340.375	308.25	271.25	233.5	245	212.625	218.5	193.5	157.125	162.625	79.625	83.5	31.75	38.375	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.86602539	-2.2570698	-2.1638803	-2.2559736	-2.1402333	-2.2545061	-2.1364801	-5.4111814	-4.1779666	-5.3114209	-4.1034012	-5.095974	-4.0983996	1.2020918	1.1421483	230.75	121	274.625	122.125	173.75	52.875	66.125	12.375	24.25	3.375	5.75	0.5	0.5	0	0	0	0.089400925	0.018201284	0.023469388	0.002351558	1.1877036	0.60709596	1.0598711	0.52163678	1.0759208	0.56424028	1.2929488	0.72731489	1.5141792	0.8905617	1.8226515	0.99857455	1.5276124	0.7648316	1.2021793	0.66232485	0.81477576	0.28013542	2.2796693	1.5303183	3.7727251	3.4440823	4.1858115	4.3712997	4.3511286	4.3834963	4.5800614	4.5693841	5.3393946	0	0	0	1.4401109	1.3110703	407.4339	289.64883	586.75	379.75	831.625	633.125	411	255.875	177.75	70.375	66.125	16.125	24.25	4.25	5.75	0.5	0.5	0	0	0	600.875	512.125	136.375	133.75	4	17.5	0	3.75	0	0.875	0	0	0	0	0	0	282.336	144.17299	627	140	48	15	122	56
Artemisinin	2,2-dimethyl-N-(6-methylpyridin-2-yl)propanamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(Nc1nc(C)ccc1)C(C)(C)C	3.8050928	3.7170329	-88182.25	-54493.691	-667016.75	-318783.66	-154.65057	-18.099779	-10.56012	-9.0036697	10.56012	9.0036697	0.87564999	0.10731	45.079445	33.030689	456.67719	426.38885	0	0	0	0	456.67719	426.38885	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	30	0	1	4	3	20	14	12	9	58.156837	43.152969	1.3846866	1.4384323	0	0	0	0	15	11	0	0	0	0	22	16	0	0	0	2	5	1	0	0	0	0	1.8182865	2.3793309	-2.8763011	-2.6042557	-0.46847317	-0.24387982	0.48142555	0.23678838	2.9546874	2.6154985	-2.9138391	-2.5909228	-0.40296918	-0.17640714	0.52481794	0.32845327	2.9398463	2.6672683	-2.6583734	-2.367903	-0.33618459	-0.057066884	0.60764611	0.37809446	3.1623287	2.8581016	30.756554	20.429312	0	1	0	0.071428575	0	6	45	30	1	1	23	14	3	4	0	3	0	0.21428572	44	23	0	0	0	0	0	0	14.120955	10.767585	12.25642	9.087513	10.215178	7.7320509	10.292529	8.3533716	9.4617796	6.3928652	7.713058	4.6453547	6.0543661	3.4940169	6.0990243	4.1825218	7	0	7	0	0	0	0	0	1.0725014	0.93958217	0.76930565	0.67737144	7	7	0	0	0	0	0	0	0	0	67.720932	12.304895	15.392588	13.562845	-3.2059937	-30.700155	10.423069	-13.880427	0.004222634	0.000104352	0	9.54E-07	2.59E+12	4.73E+09	-9.7782021	-4.6309695	2.59E+12	4.73E+09	-3.9392874	-18.904526	0	0	8.5961571	4.5649104	13.212008	36.036366	33.304897	8.0574627	13.629063	16.819729	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.79130137	-0.38651478	-0.30057958	-0.01928976	-0.075934716	3.1303203	2.3768787	-0.89714968	-1.00028	-0.31035468	-0.22797537	-0.002505066	0.008868216	3.1423492	2.4392507	-0.53425395	-0.52274829	-0.21040775	-0.12419958	0.10722204	0.037370674	3.3267074	2.6311598	0.21797732	0.084309824	6.1551886	3.9207654	6.7819748	6.2528572	6.7819748	3.4369354	0.72404015	1.8056401	0.72404015	1.8165219	-2.328289	-2.4120409	0	0	0.95388722	4.2916951	7.165029	5.7391272	0	0.025243491	14	14	14	8.5867472	1	1.1250165	0	0.015242485	13.648394	12.071428	4.2631578	4.6799998	1.6952908	3.96	13.022482	8.8920784	4.0571489	3.3579626	1.6103241	2.7844419	2.6417074	2.1328046	5	3	0	1	1	1	0	0	3.582	1.83	-3.4716799	-1.56615	3.2725534	2.9147229	-88505.227	-54652.992	-655666.63	-317332.88	-124.02571	-19.576481	-10.87649	-9.5352898	10.87649	9.5352898	0.70187002	-0.16328999	7.0486565	5.7068038	0	0	1	1	0.54197603	0.2197127	0.76507992	0.87003046	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	1.1110516	-1.578668	-1.1110516	0.169572	0.20853199	0.19891214	0.27952012	98.274422	57.884182	4.2653861	12.796158	0	11.190562	0	8.6190128	12.263453	12.949531	14.708499	0	0	0	44.851616	43.257484	37.495354	68.49794	0	0	7.2334704	0	7.2334704	5.6825762	16.070677	13.566921	2.503756	0.13689101	0.78448415	0.86215472	0.47116494	0.55904639	0.10538135	0.082642525	0.21551585	0.13784528	0.52883506	0.44095358	0.1101345	0.055202752	192.12025	202.24535	115.38834	131.14182	25.807903	19.386389	52.779854	32.335918	129.51176	103.43945	26.971952	12.949531	0.42857143	0.42857143	0.75	0.75	3.6450274	3.6102579	-82636.43	-50014.441	-653627.19	-311049.41	-158.23212	-34.598629	-10.78035	-8.9932098	10.78035	8.9932098	-0.15042999	-0.059549998	2210.6523	1583.37	1038.6576	332.94666	1466.22	1318.4205	1916.4272	1515.3728	1121.4878	395.84283	776.37323	1098.2474	312.79126	89.279724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	234.58125	0	0	0	0	0	0	244.9001	234.58125	0	0	4	4	1	0	2.7981894	2.8697526	4	1	0	0	0	0	0.1	0.2857143	2.3949001	2.37462	0	0	7.7454643	40.055065	81.819725	23.862217	0	0	17.643185	2.7567475	0	0	0	0	0	52.929554	75.473625	0	99.978043	135.63197	6.8046999	5.7058702	73.293228	23.862217	0	16.78553	17.643185	0	8.5265026	2.7567475	0	20.338671	75.473625	52.929554	7.7454643	5.2587838	99.978043	133.30406	2.4099162	2.9764688	1.8617485	1.5203946	1.1251426	0.86425203	53.990002	41.990002	0.51481563	0.59167278	5.523562	4.8073549	2.5399911	2.7276127	8.4195395	7.3018894	244.9001	234.58125	367.00107	283.83539	263.25	204.625	281.14902	238.45441	30.537619	19.249496	0	0	0	0	0	5.6825762	160.29349	171.75883	33.029301	24.140093	30.537619	24.932074	5.3953252	2.89429	0.23970899	0.26204771	2.6517773	2.6130502	1.7756623	1.5852876	0.80558389	0.7383998	0.39811906	0.32982132	0.18423676	0.17609684	0.050205711	0.059082456	0.004379716	0.01067106	0	6.29E-05	578.125	594.75	340.375	339.375	271.25	272.625	245	248	218.5	216.75	157.125	160.375	79.625	63	31.75	23.375	7.228416	6.6708322	7.1763501	6.745369	0.5	1.2247449	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.351337	-2.2559736	-2.3372891	-2.2545061	-2.3353164	-5.4111814	-6.0793777	-5.3114209	-5.872829	-5.095974	-5.4459238	1.2020918	1.2404902	230.75	148	274.625	153.625	173.75	99.875	66.125	44	24.25	19.25	5.75	6.875	0.5	1	0	0.125	0.089400925	0.080696926	0.023469388	0.027721774	1.1877036	0.56664526	1.0598711	0.5166105	1.0759208	0.38751554	1.2929488	0.44215903	1.5141792	0.58465278	1.8226515	1.0306466	1.5276124	1.7113376	1.2021793	1.4457945	0.81477576	0.090601921	2.2796693	0.47554246	3.7727251	1.2155293	4.1858115	1.9290433	4.3511286	2.5310562	4.5800614	3.3217373	5.3393946	3.3125484	0	3.4518209	1.4401109	1.327345	407.4339	380.36456	586.75	504.875	831.625	749	411	331.75	177.75	142.25	66.125	52.75	24.25	22	5.75	6.875	0.5	1	0	0.125	600.875	601	136.375	178.125	4	42.375	0	8.75	0	2.75	0	0	0	0	0	0	282.336	192.26199	627	315	48	17	122	68
Artemisinin	2,3,4,5-tetrafluorobenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Fc1c(F)c(F)cc(C(=O)O)c1F	3.8050928	2.2338448	-88182.25	-80824.484	-667016.75	-317595.84	-154.65057	-234.66519	-10.56012	-10.26578	10.56012	10.26578	0.87564999	-1.58837	45.079445	17.485586	456.67719	309.4657	0	0	0	0	456.67719	309.4657	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	15	0	2	4	4	20	13	12	10	58.156837	26.951874	1.3846866	1.7967917	0	0	0	0	15	7	0	0	0	4	22	2	0	0	0	0	5	2	0	0	0	0	1.8182865	2.7396185	-2.8763011	-2.0723548	-0.46847317	-0.70944542	0.48142555	0.64431518	2.9546874	2.2547381	-2.9138391	-2.1336906	-0.40296918	-0.46954423	0.52481794	0.90823406	2.9398463	2.2275538	-2.6583734	-1.8502694	-0.33618459	-0.46500623	0.60764611	0.83220214	3.1623287	2.4696221	30.756554	7.9564142	0	1	0	0.07692308	0	6	45	15	1	1	23	13	3	1	0	1	0	0.07692308	44	8	0	0	0	0	0	0	14.120955	10.171208	12.25642	5.9446702	10.215178	3.5773504	10.292529	4.1712084	9.4617796	5.9472647	7.713058	3.0110102	6.0543661	1.8273503	6.0990243	2.4831634	7	0	7	0	0	0	0	0	1.0725014	1.5089056	0.76930565	1.1054504	7	6	0	0	0	0	0	0	0	0	67.720932	17.391426	15.392588	11.232672	-3.2059937	-16.703375	10.423069	-8.3607998	0.004222634	0.000748322	0	0	2.59E+12	1.30E+12	-9.7782021	-4.0906477	2.59E+12	1.30E+12	-3.9392874	-9.8691206	0	0	8.5961571	2.603271	13.212008	12.169463	33.304897	11.915536	13.629063	8.3425751	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.69426793	-0.38651478	-0.47760245	-0.01928976	0.052992847	3.1303203	2.0194006	-0.89714968	-0.85433799	-0.31035468	-0.28588715	-0.002505066	0.37246957	3.1423492	2.0341032	-0.53425395	-0.40845996	-0.21040775	-0.22401294	0.10722204	0.21946798	3.3267074	2.2318723	0.21797732	7.81E-07	6.1551886	3.3205025	6.7819748	4.0772519	6.7819748	1.0655011	0.72404015	2.2575035	0.72404015	2.585382	-2.328289	-2.6477664	0	0	0.95388722	4.7713499	7.165029	3.6628823	0	-0.99952918	14	3.6730509	14	14	1	1.0040859	0	4.5672503	13.648394	11.076923	4.2631578	4.0221605	1.6952908	2.0833333	13.022482	7.8932562	4.0571489	2.7760561	1.6103241	1.399105	2.6417074	1.6855478	5	2	0	1	1	1	0	0	3.582	2.224	-3.4716799	-2.5342	3.2725534	2.5396857	-88505.227	-80370.563	-655666.63	-316541.56	-124.02571	-243.69939	-10.87649	-10.48117	10.87649	10.48117	0.70187002	-1.76422	7.0486565	3.4897966	0	0	1	1	0.54197603	0.34755552	0.76507992	0.65244585	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.3971018	-1.578668	-1.3971018	0.169572	0.21058382	0.19891214	0.23435642	98.274422	0	4.2653861	6.4739256	0	0	0	36.083382	12.263453	10.324173	14.708499	14.708499	0	0	44.851616	12.254904	37.495354	0	0	0	7.2334704	23.817272	7.2334704	23.817272	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.52837461	0.47116494	0.54580867	0.10538135	0.30341074	0.21551585	0.47162536	0.52883506	0.45419136	0.1101345	0.16821462	192.12025	78.629486	115.38834	81.223907	25.807903	45.151733	52.779854	70.184402	129.51176	67.589981	26.971952	25.032671	0.42857143	0.33333334	0.75	0.5	3.6450274	2.418442	-82636.43	-73988.125	-653627.19	-303681.81	-158.23212	-232.44107	-10.78035	-10.65532	10.78035	10.65532	-0.15042999	-1.53131	2210.6523	1237.7699	1038.6576	430.19345	1466.22	807.57727	1916.4272	1237.769	1121.4878	438.5257	776.37323	797.64282	312.79126	1.6013401	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	148.81389	0	0	0	0	0	0	244.9001	148.81389	0	0	4	4	1	0	2.7981894	2.525377	4	1	0	0	0	0	0.1	0.76923078	2.3949001	1.9412	0	0	7.7454643	7.7454643	81.819725	36.484074	0	25.385227	17.643185	27.047791	0	0	0	0	0	17.643185	75.473625	0	99.978043	59.840454	6.8046999	3.3233299	73.293228	23.862217	0	59.840454	17.643185	61.869297	8.5265026	3.185575	0	0	75.473625	17.643185	7.7454643	7.7454643	99.978043	0	2.4099162	2.0814083	1.8617485	1.4356025	1.1251426	0.001838883	53.990002	37.299999	0.51481563	0.6193822	5.523562	4.7004399	2.5399911	2.3667052	8.4195395	7.1310229	244.9001	148.81389	367.00107	175.56915	263.25	128.625	281.14902	155.55164	30.537619	0	0	0	0	0	0	0	160.29349	101.73495	33.029301	14.708499	30.537619	27.133842	5.3953252	3.6925125	0.23970899	0.10655154	2.6517773	3.0287228	1.7756623	2.7842512	0.80558389	2.3340082	0.39811906	0.98088562	0.18423676	0.25682947	0.050205711	0.058040719	0.004379716	0.001930759	0	0	578.125	289.5	340.375	155.75	271.25	99.5	245	69.75	218.5	53.25	157.125	41.375	79.625	29.875	31.75	19.875	7.228416	0.5	7.1763501	6.5192022	0.5	6.5	0.70710677	0.70710677	0.70710677	1	0.70710677	1.5811388	-2.2570698	-2.1517303	-2.2559736	-2.1458304	-2.2545061	-2.1060944	-5.4111814	-5.2186069	-5.3114209	-5.0796647	-5.095974	-5.0408554	1.2020918	1.1842812	230.75	225.125	274.625	392.5	173.75	309.875	66.125	94.875	24.25	21.625	5.75	5.125	0.5	0.375	0	0	0.089400925	0.22864321	0.023469388	0.07526882	1.1877036	0.45591018	1.0598711	0.54620498	1.0759208	0.65634489	1.2929488	0.90180421	1.5141792	1.1415763	1.8226515	1.3455182	1.5276124	1.2909832	1.2021793	1.2456737	0.81477576	0.76741248	2.2796693	0.6023038	3.7727251	0.64457923	4.1858115	1.7393435	4.3511286	3.9116409	4.5800614	5.4974937	5.3393946	6.0885491	0	0	1.4401109	1.2252095	407.4339	281.99258	586.75	345.5	831.625	746.875	411	552.875	177.75	326.375	66.125	98.875	24.25	22.75	5.75	5.25	0.5	0.375	0	0	600.875	521.75	136.375	160.375	4	16.5	0	4	0	1.125	0	0.125	0	0	0	0	282.336	194.08299	627	226	48	21	122	64
Artemisinin	2,5-dihydroxybenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1c(O)ccc(O)c1	3.8050928	1.9278307	-88182.25	-52141.316	-667016.75	-224010.98	-154.65057	-157.04944	-10.56012	-9.0704298	10.56012	9.0704298	0.87564999	-0.71551001	45.079445	19.528757	456.67719	309.97165	0	0	0	0	456.67719	309.97165	0	0	0	0	0	0	1	2	1	2	4	4	0	0	0	6	0	0	42	17	0	4	4	8	20	11	12	6	58.156837	26.325609	1.3846866	1.5485653	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	0	5	4	0	0	0	0	1.8182865	2.5185201	-2.8763011	-2.1790559	-0.46847317	-0.72540045	0.48142555	0.77662277	2.9546874	2.2126939	-2.9138391	-2.0990958	-0.40296918	-0.6787557	0.52481794	0.76044512	2.9398463	2.3801017	-2.6583734	-1.8778206	-0.33618459	-0.55335695	0.60764611	0.91218925	3.1623287	2.5047712	30.756554	7.517242	0	1	0	0.090909094	0	6	45	17	1	1	23	11	3	1	0	1	0	0.090909094	44	10	0	0	0	0	0	0	14.120955	8.4307213	12.25642	5.4819398	10.215178	3.7320509	10.292529	4.4307213	9.4617796	5.1090608	7.713058	2.8629785	6.0543661	1.9880339	6.0990243	2.7996597	7	0	7	0	0	0	0	0	1.0725014	1.1787456	0.76930565	0.85601568	7	5	0	0	0	0	0	0	0	0	67.720932	1.3677019	15.392588	7.298017	-3.2059937	-26.509089	10.423069	-21.094666	0.004222634	2.59E-05	0	0	2.59E+12	9.12E+12	-9.7782021	-3.0418937	2.59E+12	9.12E+12	-3.9392874	-16.943624	0	0	8.5961571	3.8340919	13.212008	18.516424	33.304897	11.330233	13.629063	5.414422	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76451999	-0.38651478	-0.49571544	-0.01928976	0.20508564	3.1303203	2.0273855	-0.89714968	-0.85433644	-0.31035468	-0.3769843	-0.002505066	0.18654704	3.1423492	2.1771691	-0.53425395	-0.43204907	-0.21040775	-0.25353113	0.10722204	0.29541913	3.3267074	2.30511	0.21797732	0.016467709	6.1551886	3.9023383	6.7819748	8.382843	6.7819748	1.5741148	0.72404015	0.15333086	0.72404015	0.43280509	-2.328289	-0.97073793	0	0	0.95388722	4.5922117	7.165029	3.8383641	0	-1.0071826	14	4.8523588	14	14	1	1.1616346	0	2.9608347	13.648394	9.090909	4.2631578	3.5999999	1.6952908	2.2145329	13.022482	6.5231295	4.0571489	2.4867532	1.6103241	1.4780163	2.6417074	1.474674	5	4	0	3	1	1	0	0	3.582	1.002	-3.4716799	-0.63037997	3.2725534	1.6834623	-88505.227	-52327.266	-655666.63	-222857.33	-124.02571	-160.15762	-10.87649	-8.9086304	10.87649	8.9086304	0.70187002	-0.54935002	7.0486565	3.6851006	0	0	1	1	0.54197603	0.34230289	0.76507992	0.68720376	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.380411	-1.578668	-1.380411	0.169572	0.21284539	0.19891214	0.26065391	98.274422	0	4.2653861	31.921736	0	0	0	0	12.263453	30.972517	14.708499	14.708499	0	0	44.851616	36.764713	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	23.30262	0.78448415	0.4541643	0.47116494	0.48687986	0.10538135	0.24378651	0.21551585	0.54583573	0.52883506	0.51312011	0.1101345	0.30204919	192.12025	68.686447	115.38834	73.634254	25.807903	36.869541	52.779854	82.55056	129.51176	77.602753	26.971952	45.681019	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.3030715	-82636.43	-48358.547	-653627.19	-219516.5	-158.23212	-157.81122	-10.78035	-8.9949198	10.78035	8.9949198	-0.15042999	-0.73500001	2210.6523	829.25946	1038.6576	279.73093	1466.22	561.58496	1916.4272	817.203	1121.4878	275.6701	776.37323	539.98218	312.79126	13.607198	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	151.23701	0	0	0	0	0	0	244.9001	151.23701	0	0	4	3	1	0	2.7981894	2.3196065	4	1	0	0	0	0	0.1	0.72727275	2.3949001	0.796	0	50.770454	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	52.929554	75.473625	0	99.978043	10.486856	6.8046999	3.67309	73.293228	23.862217	0	50.770454	17.643185	25.385227	8.5265026	13.672431	0	0	75.473625	52.929554	7.7454643	7.7454643	99.978043	0	2.4099162	2.0062168	1.8617485	1.6021501	1.1251426	0.25745091	53.990002	77.760002	0.51481563	0.68403846	5.523562	4.4594316	2.5399911	2.2397416	8.4195395	6.6242061	244.9001	151.23701	367.00107	180.0446	263.25	130.75	281.14902	155.17566	30.537619	0	0	0	0	0	0	0	160.29349	66.551064	33.029301	14.708499	30.537619	54.267685	5.3953252	2.5008378	0.23970899	0.092176251	2.6517773	3.109823	1.7756623	2.7635522	0.80558389	1.7670438	0.39811906	0.95126337	0.18423676	0.45190966	0.050205711	0.11176746	0.004379716	0.004601853	0	0	578.125	344.125	340.375	195.625	271.25	140.25	245	110.375	218.5	93.5	157.125	78.875	79.625	53	31.75	29.75	7.228416	6.7268119	7.1763501	0.5	0.5	6.9641943	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.1523285	-2.2559736	-2.0944726	-2.2545061	-2.0852094	-5.4111814	-5.345026	-5.3114209	-5.2010722	-5.095974	-5.0147071	1.2020918	1.1703476	230.75	258.75	274.625	329	173.75	228.375	66.125	99	24.25	35	5.75	8.25	0.5	0.375	0	0	0.089400925	0.2647059	0.023469388	0.075877689	1.1877036	0.80521184	1.0598711	0.77359337	1.0759208	0.80763388	1.2929488	0.88296282	1.5141792	0.88754177	1.8226515	0.95448613	1.5276124	0.73359936	1.2021793	0.64064586	0.81477576	0.14564246	2.2796693	0.44519278	3.7727251	0.86896348	4.1858115	1.277265	4.3511286	1.6963717	4.5800614	2.2372875	5.3393946	5.4224677	0	0	1.4401109	1.2381494	407.4339	277.93494	586.75	344.125	831.625	792.25	411	527.125	177.75	273.125	66.125	109.75	24.25	37.125	5.75	8.375	0.5	0.375	0	0	600.875	533.5	136.375	198.125	4	44.75	0	10.75	0	2.125	0	0.125	0	0	0	0	282.336	154.121	627	148	48	14	122	52
Artemisinin	2,6-bis(pyridin-4-ylmethylene)cyclohexanone	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1C(=Cc2ccncc2)CCCC1=Cc1ccncc1	3.8050928	1.3461474	-88182.25	-75118.977	-667016.75	-496320.44	-154.65057	55.353298	-10.56012	-9.8353701	10.56012	9.8353701	0.87564999	-0.98316997	45.079445	45.350689	456.67719	524.6626	0	0	0	0	456.67719	524.6626	0	0	0	0	0	0	1	1	1	2	4	3	0	0	0	12	0	0	42	37	0	0	4	3	20	21	12	17	58.156837	51.691124	1.3846866	1.3970574	0	0	0	0	15	18	0	0	0	0	22	16	0	0	0	2	5	1	0	0	0	0	1.8182865	1.4911635	-2.8763011	-2.5853856	-0.46847317	-0.62274903	0.48142555	0.7212947	2.9546874	2.5764983	-2.9138391	-2.4667964	-0.40296918	-0.53807992	0.52481794	0.80591482	2.9398463	2.7041984	-2.6583734	-2.3247874	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.8513131	30.756554	21.089312	0	2	0	0.086956523	0	12	45	39	1	3	23	23	3	2	0	2	0	0.086956523	44	24	0	0	0	0	0	0	14.120955	14.493353	12.25642	11.697498	10.215178	10.394823	10.292529	12.07914	9.4617796	10.3265	7.713058	7.086761	6.0543661	5.8498411	6.0990243	7.7491498	7	0	7	0	0	0	0	0	1.0725014	0.97003597	0.76930565	0.69676048	7	12	0	0	0	0	0	0	0	0	67.720932	41.567719	15.392588	7.8435397	-3.2059937	-5.4164519	10.423069	11.60407	0.004222634	0.000342808	0	0	2.59E+12	4.32E+08	-9.7782021	-2.2426279	2.59E+12	4.32E+08	-3.9392874	-20.769424	0	0	8.5961571	11.769341	13.212008	14.603319	33.304897	10.350426	13.629063	17.020521	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76820958	-0.38651478	-0.35722438	-0.01928976	0.096310295	3.1303203	2.5191774	-0.89714968	-0.80574083	-0.31035468	-0.26386139	-0.002505066	0.16445385	3.1423492	2.6402943	-0.53425395	-0.51739538	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.808722	0.21797732	0.040185627	6.1551886	5.8735123	6.7819748	5.9331222	6.7819748	5.9331222	0.72404015	3.6809394	0.72404015	3.7091198	-2.328289	-4.5999193	0	0	0.95388722	9.0945826	7.165029	8.3759003	0	0.064850129	14	14	14	8.1734495	1	1.2745868	0	0.039316468	13.648394	15.879017	4.2631578	8.0222225	1.6952908	4.4875345	13.022482	10.782346	4.0571489	5.3316064	1.6103241	2.9333537	2.6417074	2.7374868	5	3	0	0	1	1	0	0	3.582	2.3469999	-3.4716799	-2.40013	3.2725534	0.83001328	-88505.227	-75231.398	-655666.63	-493489.31	-124.02571	48.319618	-10.87649	-9.8687496	10.87649	9.8687496	0.70187002	-0.37344	7.0486565	8.4594545	0	0	1	1	0.54197603	0.090328947	0.76507992	0.9447847	19	20	1	1	4	3	1	4	0	0	0	0	0	0	1.578668	1.1907359	-1.578668	-1.1907359	0.169572	0.15561366	0.19891214	0.24130306	98.274422	96.993057	4.2653861	42.653858	0	0	0	8.458519	12.263453	0	14.708499	0	0	0	44.851616	104.05045	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	24.932074	2.503756	0	0.78448415	0.91002107	0.47116494	0.46549305	0.10538135	0.089978911	0.21551585	0.089978911	0.52883506	0.53450698	0.1101345	0	192.12025	252.15588	115.38834	128.98251	25.807903	24.932074	52.779854	24.932074	129.51176	148.10544	26.971952	0	0.42857143	0.5	0.75	1	3.6450274	1.0571939	-82636.43	-69081.297	-653627.19	-486791.44	-158.23212	49.760181	-10.78035	-10.06505	10.78035	10.06505	-0.15042999	-0.88077003	2210.6523	4911.3618	1038.6576	435.98367	1466.22	4560.1182	1916.4272	4826.6216	1121.4878	3737.0273	776.37323	617.0528	312.79126	557.28174	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	277.08795	0	0	0	0	0	0	244.9001	277.08795	0	0	4	6	1	0	2.7981894	4.2157989	4	3	0	0	0	0	0.1	0.095238097	2.3949001	3.6966	0	0	7.7454643	39.258671	81.819725	23.862217	0	0	17.643185	6.37115	0	6.37115	0	0	0	139.43016	75.473625	91.891586	99.978043	0	6.8046999	8.3285999	73.293228	23.862217	0	33.57106	17.643185	0	8.5265026	12.7423	0	0	75.473625	196.03539	7.7454643	40.97398	99.978043	0	2.4099162	3.975086	1.8617485	1.4031755	1.1251426	0.79685974	53.990002	42.849998	0.51481563	0.48250595	5.523562	5.523562	2.5399911	3.3153193	8.4195395	8.4747124	244.9001	277.08795	367.00107	396.60544	263.25	284.875	281.14902	304.09558	30.537619	24.932074	0	0	0	0	0	0	160.29349	232.30864	33.029301	8.458519	30.537619	24.932074	5.3953252	0.21837118	0.23970899	0.19735868	2.6517773	2.7894678	1.7756623	2.278909	0.80558389	1.1431601	0.39811906	0.42755598	0.18423676	0.19745789	0.050205711	0.060794227	0.004379716	0	0	0	578.125	819.125	340.375	492.5	271.25	360.75	245	309.375	218.5	271.25	157.125	230.75	79.625	153.125	31.75	87.25	7.228416	2.5	7.1763501	1.8027756	0.5	0.70710677	0.70710677	17.507141	0.70710677	17.5	0.70710677	0.5	-2.2570698	-2.3404732	-2.2559736	-2.3328452	-2.2545061	-2.3300622	-5.4111814	-4.9017472	-5.3114209	-4.897315	-5.095974	-4.8951054	1.2020918	1.2807571	230.75	318.25	274.625	393.75	173.75	251.125	66.125	81.5	24.25	28.625	5.75	7.75	0.5	0	0	0	0.089400925	0.079348579	0.023469388	0.025050504	1.1877036	0.26695827	1.0598711	0.35707536	1.0759208	0.42280793	1.2929488	0.41072738	1.5141792	0.47716016	1.8226515	0.48303998	1.5276124	0.68191886	1.2021793	0.68438983	0.81477576	0.17217164	2.2796693	0.12572543	3.7727251	0.45436046	4.1858115	0.25423905	4.3511286	0.41659632	4.5800614	1.1438149	5.3393946	0	0	0	1.4401109	1.4104903	407.4339	472.70795	586.75	666.75	831.625	1190.875	411	662.25	177.75	267.125	66.125	81.5	24.25	28.625	5.75	7.75	0.5	0	0	0	600.875	872.625	136.375	268.5	4	16	0	0	0	0	0	0	0	0	0	0	282.336	276.33899	627	994	48	29	122	106
Artemisinin	2,9-dimethylphenanthroline	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Cc1nc2c3nc(C)ccc3ccc2cc1	3.8050928	2.1958368	-88182.25	-54667.871	-667016.75	-332092.5	-154.65057	72.403679	-10.56012	-8.7974005	10.56012	8.7974005	0.87564999	-0.66224003	45.079445	34.841515	456.67719	433.76276	0	0	0	0	456.67719	433.76276	0	0	0	0	0	0	1	1	1	1	4	2	0	0	0	14	0	0	42	28	0	0	4	2	20	16	12	14	58.156837	36.283421	1.3846866	1.2958364	0	0	0	0	15	14	0	0	0	0	22	12	0	0	0	2	5	0	0	0	0	0	1.8182865	1.7648867	-2.8763011	-2.2646115	-0.46847317	-0.64734256	0.48142555	0.6521098	2.9546874	2.2455089	-2.9138391	-2.1378665	-0.40296918	-0.54828161	0.52481794	0.73401833	2.9398463	2.4004881	-2.6583734	-1.9729075	-0.33618459	-0.46556768	0.60764611	0.84734434	3.1623287	2.5680187	30.756554	15.758484	0	0	0	0	0	16	45	30	1	0	23	18	3	2	0	0	0	0	44	14	0	0	0	0	0	0	14.120955	11.120955	12.25642	9.3585291	10.215178	8.4641018	10.292529	9.7067423	9.4617796	7.7371836	7.713058	5.3764782	6.0543661	4.4820509	6.0990243	6.1041903	7	0	7	0	0	0	0	0	1.0725014	0.95533943	0.76930565	0.68595529	7	7	0	0	0	0	0	0	0	0	67.720932	45.536324	15.392588	5.6371088	-3.2059937	11.698812	10.423069	20.175058	0.004222634	0.000625896	0	0	2.59E+12	2.53E+09	-9.7782021	-0.61606419	2.59E+12	2.53E+09	-3.9392874	-12.415001	0	0	8.5961571	15.521564	13.212008	13.460442	33.304897	4.2019644	13.629063	8.4762459	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.74775046	-0.38651478	-0.40393275	-0.01928976	0.045430157	3.1303203	2.3804238	-0.89714968	-0.71521991	-0.31035468	-0.2797555	-0.002505066	0.12473916	3.1423492	2.5403593	-0.53425395	-0.48025504	-0.21040775	-0.21064748	0.10722204	0.20277701	3.3267074	2.7072949	0.21797732	0.012500581	6.1551886	4.1469598	6.7819748	3.7687886	6.7819748	3.7687886	0.72404015	2.9786642	0.72404015	3.0308723	-2.328289	-3.7925928	0	0	0.95388722	7.5378995	7.165029	6.5089045	0	0.11743379	14	14	14	7.8780365	1	1.4378061	0	0.074295856	13.648394	11.111111	4.2631578	4.3491125	1.6952908	2.0799999	13.022482	7.4682131	4.0571489	2.8372352	1.6103241	1.3266538	2.6417074	1.3243173	5	2	0	0	1	1	0	0	3.582	3.3633299	-3.4716799	-3.18874	3.2725534	2.4957414	-88505.227	-54733.879	-655666.63	-331609.34	-124.02571	56.577801	-10.87649	-8.7885799	10.87649	8.7885799	0.70187002	-0.78982002	7.0486565	6.5344863	0	1	1	1	0.54197603	0.29131266	0.76507992	0.71216196	19	16	1	1	4	3	1	0	0	0	0	0	0	0	1.578668	0.82964736	-1.578668	-0.82964736	0.169572	0.11704017	0.19891214	0.30100992	98.274422	43.408497	4.2653861	38.991417	0	0	0	0	12.263453	0	14.708499	0	0	0	44.851616	62.005161	37.495354	49.019615	0	0	7.2334704	0	7.2334704	11.365152	16.070677	0	2.503756	0	0.78448415	0.94450337	0.47116494	0.5976367	0.10538135	0.055496659	0.21551585	0.055496659	0.52883506	0.4023633	0.1101345	0	192.12025	193.4247	115.38834	122.38993	25.807903	11.365152	52.779854	11.365152	129.51176	82.399918	26.971952	0	0.42857143	0.42857143	0.75	0.75	3.6450274	2.2918468	-82636.43	-49987.672	-653627.19	-324064.06	-158.23212	53.43837	-10.78035	-8.9124002	10.78035	8.9124002	-0.15042999	-0.78937	2210.6523	1803.0162	1038.6576	524.33057	1466.22	1281.8126	1916.4272	1799.8893	1121.4878	1271.826	776.37323	515.15417	312.79126	16.036047	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	204.78984	0	0	0	0	0	0	244.9001	204.78984	0	0	4	4	1	0	2.7981894	2.9423392	4	3	0	0	0	0	0.1	0.375	2.3949001	3.3998401	0	0	7.7454643	33.57106	81.819725	0	0	0	17.643185	5.513495	0	0	0	0	0	115.29331	75.473625	0	99.978043	66.652031	6.8046999	6.6518002	73.293228	0	0	33.57106	17.643185	0	8.5265026	5.513495	0	9.4342031	75.473625	105.85911	7.7454643	0	99.978043	66.652031	2.4099162	2.9764254	1.8617485	2.0316045	1.1251426	0.33278221	53.990002	25.780001	0.51481563	0.58587331	5.523562	5.1699252	2.5399911	2.6473958	8.4195395	7.7225761	244.9001	204.78984	367.00107	303.6116	263.25	218	281.14902	240.3985	30.537619	11.365152	0	0	0	0	0	0	160.29349	184.88315	33.029301	0	30.537619	11.365152	5.3953252	3.8974671	0.23970899	0.38148168	2.6517773	2.6415353	1.7756623	1.6983842	0.80558389	0.60529107	0.39811906	0.20904724	0.18423676	0.14170806	0.050205711	0.099303685	0.004379716	0.07202936	0	0.049696397	578.125	720.375	340.375	421.125	271.25	325	245	289.5	218.5	254.25	157.125	191.25	79.625	105.75	31.75	51.5	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.429723	-2.2559736	-2.4283853	-2.2545061	-2.4282086	-5.4111814	-10.084272	-5.3114209	-10.081903	-5.095974	-9.854207	1.2020918	1.2184999	230.75	136.625	274.625	148.125	173.75	91.375	66.125	43.875	24.25	25.25	5.75	16.5	0.5	10.5	0	6.125	0.089400925	0.077692308	0.023469388	0.056994818	1.1877036	0.44901979	1.0598711	0.32520574	1.0759208	0.10203794	1.2929488	0.10698095	1.5141792	0.21372484	1.8226515	0.86334544	1.5276124	1.1946968	1.2021793	0.54464108	0.81477576	0.13762803	2.2796693	0.74120969	3.7727251	2.6984403	4.1858115	3.8593318	4.3511286	3.8001211	4.5800614	3.8755538	5.3393946	3.855824	0	3.8146071	1.4401109	1.3743246	407.4339	386.46259	586.75	531.125	831.625	794.25	411	329.875	177.75	119.125	66.125	43.875	24.25	25.25	5.75	16.5	0.5	10.5	0	6.125	600.875	657.625	136.375	181.75	4	27.75	0	0	0	0	0	0	0	0	0	0	282.336	208.26399	627	396	48	26	122	88
Artemisinin	2-acetaminopyridine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(Nc1ncccc1)C	3.8050928	1.6901822	-88182.25	-40130.609	-667016.75	-180429.55	-154.65057	-2.1639299	-10.56012	-9.1307001	10.56012	9.1307001	0.87564999	0.048719998	45.079445	20.656343	456.67719	321.58701	0	0	0	0	456.67719	321.58701	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	18	0	1	4	3	20	10	12	5	58.156837	29.407166	1.3846866	1.6337314	0	0	0	0	15	7	0	0	0	0	22	8	0	0	0	2	5	1	0	0	0	0	1.8182865	2.1712205	-2.8763011	-2.2681541	-0.46847317	-0.54808342	0.48142555	0.54188466	2.9546874	2.2715805	-2.9138391	-2.350914	-0.40296918	-0.48493838	0.52481794	0.58003455	2.9398463	2.28438	-2.6583734	-1.9705222	-0.33618459	-0.37503234	0.60764611	0.71354872	3.1623287	2.5650096	30.756554	11.683656	0	1	0	0.1	0	6	45	18	1	1	23	10	3	2	0	2	0	0.2	44	11	0	0	0	0	0	0	14.120955	7.3973413	12.25642	5.6648631	10.215178	4.309401	10.292529	4.9831276	9.4617796	4.7876935	7.713058	2.9746051	6.0543661	1.7886752	6.0990243	2.4855986	7	0	7	0	0	0	0	0	1.0725014	1.0011324	0.76930565	0.73154396	7	6	0	0	0	0	0	0	0	0	67.720932	-29.770695	15.392588	3.2328453	-3.2059937	-58.396286	10.423069	-47.555199	0.004222634	9.53E-05	0	0	2.59E+12	1.72E+12	-9.7782021	-1.5449438	2.59E+12	1.72E+12	-3.9392874	-13.698631	0	0	8.5961571	4.5822005	13.212008	11.245021	33.304897	9.9693613	13.629063	10.841088	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.79162675	-0.38651478	-0.39801317	-0.01928976	0.071026325	3.1303203	1.9853952	-0.89714968	-0.99750942	-0.31035468	-0.3154946	-0.002505066	0.11026383	3.1423492	2.0674369	-0.53425395	-0.46814024	-0.21040775	-0.2015515	0.10722204	0.17990832	3.3267074	2.2781887	0.21797732	0.032271869	6.1551886	3.8762951	6.7819748	5.7814941	6.7819748	2.954596	0.72404015	0.85943282	0.72404015	0.86099726	-2.328289	-1.4574617	0	0	0.95388722	4.2917113	7.165029	3.9215868	0	0.003656639	14	14	14	9.4353266	1	1.0244626	0	0.002183955	13.648394	8.1000004	4.2631578	4	1.6952908	3.1111112	13.022482	5.1775813	4.0571489	2.4106653	1.6103241	1.7853307	2.6417074	1.2481415	5	3	0	1	1	1	0	0	3.582	0.37	-3.4716799	-0.64744997	3.2725534	1.8812789	-88505.227	-40231.797	-655666.63	-180005.09	-124.02571	-11.74343	-10.87649	-9.2404099	10.87649	9.2404099	0.70187002	-0.087420002	7.0486565	3.9242423	0	0	1	1	0.54197603	0.19051948	0.76507992	0.85693365	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.94200397	-1.578668	-0.94200397	0.169572	0.23695342	0.19891214	0.3303965	98.274422	48.289749	4.2653861	17.061544	0	11.190562	0	8.6190128	12.263453	12.949531	14.708499	0	0	0	44.851616	24.509808	37.495354	12.254904	0	0	7.2334704	0	7.2334704	5.6825762	16.070677	13.566921	2.503756	0.13689101	0.78448415	0.79038244	0.47116494	0.36399943	0.10538135	0.12567224	0.21551585	0.20961756	0.52883506	0.63600057	0.1101345	0.083945319	192.12025	121.92558	115.38834	56.1511	25.807903	19.386389	52.779854	32.335918	129.51176	98.110405	26.971952	12.949531	0.42857143	0.5	0.75	1	3.6450274	1.4757317	-82636.43	-36223.215	-653627.19	-174152.16	-158.23212	-15.70447	-10.78035	-9.0038004	10.78035	9.0038004	-0.15042999	-0.13426	2210.6523	722.97534	1038.6576	134.54851	1466.22	605.18298	1916.4272	706.21918	1121.4878	147.48718	776.37323	537.92804	312.79126	37.560081	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	154.26151	0	0	0	0	0	0	244.9001	154.26151	0	0	4	3	1	0	2.7981894	2.3043399	4	1	0	0	0	0	0.1	0.5	2.3949001	1.04	0	0	7.7454643	40.055065	81.819725	23.862217	0	0	17.643185	0	0	0	0	0	0	70.143913	75.473625	0	99.978043	35.653934	6.8046999	3.8540699	73.293228	23.862217	0	16.78553	17.643185	0	8.5265026	0	0	20.338671	75.473625	70.143913	7.7454643	5.2587838	99.978043	33.326015	2.4099162	2.5688248	1.8617485	1.142372	1.1251426	0.46147326	53.990002	41.990002	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.4245358	8.4195395	6.2958374	244.9001	154.26151	367.00107	186.11868	263.25	136	281.14902	162.10973	30.537619	19.249496	0	0	0	0	0	5.6825762	160.29349	97.133438	33.029301	24.140093	30.537619	24.932074	5.3953252	2.6175725	0.23970899	0.15224038	2.6517773	2.9087403	1.7756623	1.9940976	0.80558389	1.1372718	0.39811906	0.58165598	0.18423676	0.2934866	0.050205711	0.12818694	0.004379716	0.032178119	0	0	578.125	421.875	340.375	236.875	271.25	181.875	245	161.875	218.5	141.125	157.125	102.375	79.625	51.375	31.75	24.25	7.228416	6.98212	7.1763501	6.9641943	0.5	0.5	0.70710677	0.70710677	0.70710677	0.5	0.70710677	0.5	-2.2570698	-2.1230078	-2.2559736	-2.108331	-2.2545061	-2.1026845	-5.4111814	-5.9608984	-5.3114209	-5.8821073	-5.095974	-5.80023	1.2020918	1.1798542	230.75	180.75	274.625	207.875	173.75	141.5	66.125	58.5	24.25	26.25	5.75	10.625	0.5	2.375	0	0	0.089400925	0.16357388	0.023469388	0.065637067	1.1877036	0.77732164	1.0598711	0.58903909	1.0759208	0.4366425	1.2929488	0.57938564	1.5141792	0.76616251	1.8226515	1.5577226	1.5276124	1.2762901	1.2021793	1.5283999	0.81477576	0.37016514	2.2796693	0.99946821	3.7727251	1.5211492	4.1858115	1.7690749	4.3511286	2.3083372	4.5800614	3.0846617	5.3393946	3.9813585	0	0	1.4401109	1.2440281	407.4339	287.47342	586.75	357.625	831.625	694.75	411	376.75	177.75	183.875	66.125	70.875	24.25	29.75	5.75	10.625	0.5	2.375	0	0	600.875	514	136.375	168.875	4	42.375	0	12.375	0	3.5	0	0	0	0	0	0	282.336	136.15399	627	126	48	9	122	44
Artemisinin	2-aminopyrimidine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Nc1ncccn1	3.8050928	0.95363986	-88182.25	-27697.217	-667016.75	-104811.52	-154.65057	47.145351	-10.56012	-9.1813402	10.56012	9.1813402	0.87564999	0.11101	45.079445	13.673965	456.67719	253.72643	0	0	0	0	456.67719	253.72643	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	12	0	1	4	3	20	7	12	3	58.156837	18.655022	1.3846866	1.5545852	0	0	0	0	15	4	0	0	0	0	22	5	0	0	0	3	5	0	0	0	0	0	1.8182865	2.2149367	-2.8763011	-2.1002254	-0.46847317	-0.60985523	0.48142555	0.6794576	2.9546874	2.0465481	-2.9138391	-2.3310177	-0.40296918	-0.56205976	0.52481794	0.73674124	2.9398463	2.1058962	-2.6583734	-1.7840523	-0.33618459	-0.44749516	0.60764611	0.8343038	3.1623287	2.3523557	30.756554	7.4460349	0	0	0	0	0	6	45	12	1	0	23	7	3	2	0	0	0	0	44	6	0	0	0	0	0	0	14.120955	5.112884	12.25642	3.7038283	10.215178	2.2320509	10.292529	2.6986706	9.4617796	3.3938468	7.713058	1.9189532	6.0543661	0.66666669	6.0990243	1	7	0	7	0	0	0	0	0	1.0725014	1.0185274	0.76930565	0.75847256	7	4	0	0	0	0	0	0	0	0	67.720932	-58.362286	15.392588	1.5336196	-3.2059937	-74.438385	10.423069	-70.445778	0.004222634	-3.85E-14	0	0	2.59E+12	3.91E+08	-9.7782021	0.14258873	2.59E+12	3.91E+08	-3.9392874	-12.481221	0	0	8.5961571	6.0888572	13.212008	7.2884545	33.304897	4.4610162	13.629063	3.9926043	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76535171	-0.38651478	-0.3910588	-0.01928976	0.11663698	3.1303203	1.7433718	-0.89714968	-1.3350935	-0.31035468	-0.32303315	-0.002505066	0.19751079	3.1423492	1.8069786	-0.53425395	-0.40963238	-0.21040775	-0.20651537	0.10722204	0.23918632	3.3267074	2.0301716	0.21797732	0	6.1551886	4.8773456	6.7819748	5.2096348	6.7819748	1.2937713	0.72404015	-0.44202545	0.72404015	-0.44173494	-2.328289	-0.4685736	0	0	0.95388722	3.3339388	7.165029	2.7514935	0	0.000684702	14	14	14	10.164201	1	1.0056897	0	0.000408335	13.648394	5.1428571	4.2631578	2.34375	1.6952908	1.5	13.022482	3.0094769	4.0571489	1.2239324	1.6103241	0.68499804	2.6417074	0.52619946	5	3	0	2	1	1	0	0	3.582	-0.77499998	-3.4716799	-0.61036003	3.2725534	1.6563457	-88505.227	-27755.076	-655666.63	-105250.48	-124.02571	29.961161	-10.87649	-9.52631	10.87649	9.52631	0.70187002	-0.12502	7.0486565	2.6532764	0	1	1	1	0.54197603	0.32302067	0.76507992	0.6769793	19	6	1	1	4	1	1	0	0	0	0	0	0	0	1.578668	0.74794418	-1.578668	-0.74794418	0.169572	0.26568368	0.19891214	0.36173296	98.274422	33.491833	4.2653861	12.796158	0	17.238026	0	15.681574	12.263453	0	14.708499	0	0	0	44.851616	12.254904	37.495354	0	0	0	7.2334704	0	7.2334704	11.365152	16.070677	6.6511192	2.503756	0	0.78448415	0.83543593	0.47116494	0.2765027	0.10538135	0.16456407	0.21551585	0.16456407	0.52883506	0.72349727	0.1101345	0	192.12025	91.462494	115.38834	30.271175	25.807903	18.016272	52.779854	18.016272	129.51176	79.207588	26.971952	0	0.42857143	0.25	0.75	0.33333334	3.6450274	1.0812335	-82636.43	-23922.387	-653627.19	-99538.516	-158.23212	32.174641	-10.78035	-9.0920296	10.78035	9.0920296	-0.15042999	-0.18970001	2210.6523	269.49234	1038.6576	87.051598	1466.22	182.44075	1916.4272	269.49234	1121.4878	182.31543	776.37323	87.176926	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	109.47877	0	0	0	0	0	0	244.9001	109.47877	0	0	4	3	1	0	2.7981894	1.6833389	4	1	0	0	0	0	0.1	0.85714287	2.3949001	0.058800001	0	32.897186	7.7454643	33.57106	81.819725	0	0	0	17.643185	0	0	0	0	0	0	52.071899	75.473625	0	99.978043	1.8990928	6.8046999	2.6444399	73.293228	0	0	33.57106	17.643185	0	8.5265026	0	0	1.8990928	75.473625	84.969086	7.7454643	0	99.978043	0	2.4099162	1.8463409	1.8617485	1.1771994	1.1251426	0	53.990002	51.799999	0.51481563	0.86312056	5.523562	3.8073549	2.5399911	1.7608353	8.4195395	5.2548308	244.9001	109.47877	367.00107	125.39017	263.25	93.375	281.14902	117.46461	30.537619	11.365152	0	0	0	0	0	17.742489	160.29349	56.407505	33.029301	15.681574	30.537619	29.107641	5.3953252	3.4159548	0.23970899	0.10893409	2.6517773	3.2137928	1.7756623	2.4748547	0.80558389	1.4406142	0.39811906	0.75800657	0.18423676	0.48937231	0.050205711	0.28843337	0.004379716	0.16121691	0	0.051881805	578.125	333.25	340.375	188.625	271.25	138.125	245	121.625	218.5	106.125	157.125	88.375	79.625	47.625	31.75	23.25	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	6	0.70710677	0.5	0.70710677	6.0207973	-2.2570698	-2.2004313	-2.2559736	-2.1923416	-2.2545061	-2.146373	-5.4111814	-7.0825419	-5.3114209	-7.0798969	-5.095974	-6.9385414	1.2020918	1.1242946	230.75	143.375	274.625	150.25	173.75	116.125	66.125	59	24.25	35.125	5.75	20.125	0.5	10.25	0	3.25	0.089400925	0.31583712	0.023469388	0.17368962	1.1877036	1.0123649	1.0598711	0.81210136	1.0759208	0.98542249	1.2929488	1.2148788	1.5141792	1.4591317	1.8226515	1.4317856	1.5276124	0.41048238	1.2021793	0.43337172	0.81477576	0.79982483	2.2796693	1.7424307	3.7727251	2.2507718	4.1858115	2.4262066	4.3511286	2.4336507	4.5800614	2.55374	5.3393946	2.5244613	0	2.5717111	1.4401109	1.1746405	407.4339	221.76997	586.75	260.5	831.625	640	411	369.625	177.75	191.125	66.125	84	24.25	43.625	5.75	21.125	0.5	10.25	0	3.25	600.875	496.625	136.375	219.375	4	75	0	25	0	8.5	0	1	0	0	0	0	282.336	95.104996	627	42	48	5	122	30
Artemisinin	2-iodo-4-nitroaniline	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Ic1c(N)ccc([N+](=O)[O-])c1	3.8050928	7.2220101	-88182.25	-51560.938	-667016.75	-217571.98	-154.65057	39.144032	-10.56012	-9.3446503	10.56012	9.3446503	0.87564999	-0.89903998	45.079445	23.047964	456.67719	337.98184	0	0	0	0	456.67719	337.98184	0	0	0	1	0	1	1	0	1	0	4	0	0	0	0	6	0	0	42	16	0	1	4	1	20	11	12	8	58.156837	32.880585	1.3846866	2.0550365	0	0	0	0	15	6	0	0	0	0	22	5	0	1	0	2	5	2	0	0	0	0	1.8182865	2.4406667	-2.8763011	-2.1879628	-0.46847317	-0.64137042	0.48142555	0.70381874	2.9546874	2.2262478	-2.9138391	-2.3277686	-0.40296918	-0.45374086	0.52481794	0.90780777	2.9398463	2.3599837	-2.6583734	-1.8749554	-0.33618459	-0.32912689	0.60764611	1.0373371	3.1623287	2.5636983	30.756554	9.6520348	0	1	0	0.090909094	0	6	45	16	1	1	23	11	3	2	0	1	0	0.090909094	44	9	0	0	0	0	0	0	14.120955	8.4307213	12.25642	7.6085739	10.215178	3.2320509	10.292529	3.8533711	9.4617796	5.1090608	7.713058	3.8831956	6.0543661	1.7380339	6.0990243	2.4663265	7	0	7	0	0	0	0	0	1.0725014	1.7384164	0.76930565	1.3200516	7	6	0	0	0	0	0	0	0	0	67.720932	32.280052	15.392588	7.2910275	-3.2059937	10.474707	10.423069	19.11874	0.004222634	0.00044601	0	0	2.59E+12	1.36E+10	-9.7782021	-1.8809195	2.59E+12	1.36E+10	-3.9392874	-7.5036979	0	0	8.5961571	3.4747348	13.212008	8.3651543	33.304897	2.3951037	13.629063	8.6440334	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.80779225	-0.38651478	-0.41832924	-0.01928976	0.073392384	3.1303203	2.0230293	-0.89714968	-1.3343596	-0.31035468	-0.23584154	-0.002505066	0.30291125	3.1423492	2.1722922	-0.53425395	-0.49111092	-0.21040775	-0.14192887	0.10722204	0.39391008	3.3267074	2.3685195	0.21797732	3.80E-07	6.1551886	4.126442	6.7819748	4.4402566	6.7819748	1.5399814	0.72404015	2.1853299	0.72404015	2.1853299	-2.328289	-2.9306509	0	0	0.95388722	4.7125077	7.165029	4.8202796	0	0	14	14	14	14	1	1	0	0	13.648394	9.090909	4.2631578	3.5999999	1.6952908	2.2145329	13.022482	8.4931231	4.0571489	3.3384309	1.6103241	2.0401163	2.6417074	2.5776095	5	4	0	2	1	1	0	0	3.582	2.3940001	-3.4716799	-2.8875101	3.2725534	5.6652451	-88505.227	-51509.602	-655666.63	-216631.97	-124.02571	50.058659	-10.87649	-9.73773	10.87649	9.73773	0.70187002	-1.04098	7.0486565	4.8808746	0	1	1	1	0.54197603	0.2142659	0.76507992	0.78573424	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	0.89677238	-1.578668	-0.89677238	0.169572	0.30354428	0.19891214	0.33611533	98.274422	34.249454	4.2653861	16.824192	0	17.238026	0	0	12.263453	0	14.708499	6.6995511	0	0	44.851616	59.244919	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	33.931049	2.503756	6.6511192	0.78448415	0.7295689	0.47116494	0.57096803	0.10538135	0.23211256	0.21551585	0.27043113	0.52883506	0.42903197	0.1101345	0.038318556	192.12025	127.55659	115.38834	99.827087	25.807903	40.582169	52.779854	47.281719	129.51176	75.011223	26.971952	6.6995511	0.42857143	0.5	0.75	1	3.6450274	6.6204047	-82636.43	-45780.406	-653627.19	-209725.28	-158.23212	36.502621	-10.78035	-9.2231998	10.78035	9.2231998	-0.15042999	-1.1167001	2210.6523	1728.6765	1038.6576	370.39642	1466.22	1358.2803	1916.4272	1728.6764	1121.4878	1103.8494	776.37323	610.12598	312.79126	14.701252	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	174.8383	0	0	0	0	0	0	244.9001	174.8383	0	0	4	3	1	1	2.7981894	2.5588028	4	1	0	0	0	0	0.1	0	2.3949001	1.7816	0	32.897186	7.7454643	7.0856161	81.819725	1.6596429	0	50.935009	17.643185	0	0	0	0	0	0	52.929554	75.473625	0	99.978043	62.295502	6.8046999	5.0225801	73.293228	7.0856161	0	0	17.643185	52.59465	8.5265026	0	0	5.513495	75.473625	85.826744	7.7454643	0	99.978043	56.782009	2.4099162	2.1345739	1.8617485	1.43636	1.1251426	0.001315889	53.990002	71.839996	0.51481563	0.68403846	5.523562	4.4594316	2.5399911	2.3710012	8.4195395	6.6055841	244.9001	174.8383	367.00107	200.00885	263.25	151.875	281.14902	177.27182	30.537619	0	0	0	0	0	0	17.742489	160.29349	114.88273	33.029301	33.931049	30.537619	17.742489	5.3953252	1.9282036	0.23970899	0.51356131	2.6517773	2.9772513	1.7756623	2.6571753	0.80558389	1.6778822	0.39811906	0.43304861	0.18423676	0.11433436	0.050205711	0.003581337	0.004379716	0	0	0	578.125	626.125	340.375	361.5	271.25	252.875	245	199.75	218.5	163.875	157.125	131.125	79.625	92.375	31.75	58.625	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.4405963	-2.2559736	-2.4196119	-2.2545061	-2.4060729	-5.4111814	-4.5542669	-5.3114209	-4.4197769	-5.095974	-4.0265222	1.2020918	1.1742011	230.75	141.375	274.625	187	173.75	145	66.125	28.625	24.25	5	5.75	0.25	0.5	0	0	0	0.089400925	0.042016808	0.023469388	0.003128911	1.1877036	0.37720466	1.0598711	0.49356356	1.0759208	0.54501188	1.2929488	0.36962801	1.5141792	0.25134397	1.8226515	0.20024318	1.5276124	0.81381476	1.2021793	1.3286873	0.81477576	0.98914176	2.2796693	1.5370866	3.7727251	2.1023407	4.1858115	2.235512	4.3511286	2.4632335	4.5800614	3.1547103	5.3393946	0	0	0	1.4401109	1.3080159	407.4339	313.26071	586.75	409.75	831.625	871.125	411	513.125	177.75	231.625	66.125	48.125	24.25	10.625	5.75	0.625	0.5	0	0	0	600.875	729.75	136.375	326.125	4	86.625	0	19.5	0	5.625	0	0.375	0	0	0	0	282.336	264.022	627	152	48	14	122	52
Artemisinin	3,5-dihydroxybenzoic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1cc(O)cc(O)c1	3.8050928	2.7258492	-88182.25	-52139.219	-667016.75	-220800.75	-154.65057	-154.95021	-10.56012	-9.4043903	10.56012	9.4043903	0.87564999	-0.65706003	45.079445	19.528757	456.67719	311.51248	0	0	0	0	456.67719	311.51248	0	0	0	0	0	0	1	2	1	2	4	4	0	0	0	6	0	0	42	17	0	4	4	8	20	11	12	6	58.156837	26.325609	1.3846866	1.5485653	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	0	5	4	0	0	0	0	1.8182865	2.4734974	-2.8763011	-2.1788616	-0.46847317	-0.88367081	0.48142555	0.88094282	2.9546874	2.2058206	-2.9138391	-2.1007159	-0.40296918	-0.82975924	0.52481794	0.82573944	2.9398463	2.3828726	-2.6583734	-1.876619	-0.33618459	-0.68470001	0.60764611	1.0314761	3.1623287	2.5013564	30.756554	7.517242	0	1	0	0.090909094	0	6	45	17	1	1	23	11	3	1	0	1	0	0.090909094	44	10	0	0	0	0	0	0	14.120955	8.4307213	12.25642	5.4819398	10.215178	3.7320509	10.292529	4.4307213	9.4617796	5.0922241	7.713058	2.8569953	6.0543661	1.9820508	6.0990243	2.7828231	7	0	7	0	0	0	0	0	1.0725014	1.1866871	0.76930565	0.85601568	7	5	0	0	0	0	0	0	0	0	67.720932	-6.5134506	15.392588	7.3318558	-3.2059937	-33.649204	10.423069	-28.349508	0.004222634	1.90E-14	0	0	2.59E+12	9.98E+12	-9.7782021	-3.9360998	2.59E+12	9.98E+12	-3.9392874	-19.261129	0	0	8.5961571	3.7553384	13.212008	13.573532	33.304897	10.748863	13.629063	5.2996974	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76418877	-0.38651478	-0.54186893	-0.01928976	0.25106299	3.1303203	2.0232759	-0.89714968	-0.85424954	-0.31035468	-0.40519106	-0.002505066	0.19428326	3.1423492	2.1758916	-0.53425395	-0.43065318	-0.21040775	-0.2878764	0.10722204	0.35236517	3.3267074	2.3023217	0.21797732	0	6.1551886	3.9317663	6.7819748	8.3585844	6.7819748	1.6424289	0.72404015	0.14953811	0.72404015	0.42494568	-2.328289	-0.95766878	0	0	0.95388722	4.5851541	7.165029	3.8374166	0	-1.0064926	14	4.564497	14	14	1	1.0849712	0	3.351505	13.648394	9.090909	4.2631578	3.5999999	1.6952908	2.5	13.022482	6.5231295	4.0571489	2.4867532	1.6103241	1.6685418	2.6417074	1.474674	5	4	0	3	1	1	0	0	3.582	1.0779999	-3.4716799	-0.63037997	3.2725534	2.787184	-88505.227	-52327.199	-655666.63	-220156.47	-124.02571	-160.09251	-10.87649	-9.1146603	10.87649	9.1146603	0.70187002	-0.65344	7.0486565	3.6813622	0	0	1	1	0.54197603	0.3495774	0.76507992	0.65042257	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.3463296	-1.578668	-1.3463296	0.169572	0.21643844	0.19891214	0.26719239	98.274422	0	4.2653861	31.921736	0	0	0	0	12.263453	30.972517	14.708499	14.708499	0	0	44.851616	36.764713	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	23.30262	0.78448415	0.4541643	0.47116494	0.48687986	0.10538135	0.24378651	0.21551585	0.54583573	0.52883506	0.51312011	0.1101345	0.30204919	192.12025	68.686447	115.38834	73.634254	25.807903	36.869541	52.779854	82.55056	129.51176	77.602753	26.971952	45.681019	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.7770584	-82636.43	-48356.441	-653627.19	-215817.16	-158.23212	-155.70544	-10.78035	-9.3817701	10.78035	9.3817701	-0.15042999	-0.62782001	2210.6523	903.94269	1038.6576	315.99796	1466.22	587.94476	1916.4272	903.94269	1121.4878	380.82236	776.37323	523.1203	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	151.23701	0	0	0	0	0	0	244.9001	151.23701	0	0	4	3	1	0	2.7981894	2.4218071	4	1	0	0	0	0	0.1	0	2.3949001	0.796	0	50.770454	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	52.929554	75.473625	0	99.978043	10.486856	6.8046999	3.67309	73.293228	23.862217	0	50.770454	17.643185	25.385227	8.5265026	13.672431	0	0	75.473625	52.929554	7.7454643	7.7454643	99.978043	0	2.4099162	2.1062138	1.8617485	1.6067336	1.1251426	0	53.990002	77.760002	0.51481563	0.68403846	5.523562	4.4594316	2.5399911	2.2633255	8.4195395	6.6190095	244.9001	151.23701	367.00107	180.0446	263.25	129.875	281.14902	158.7179	30.537619	0	0	0	0	0	0	0	160.29349	66.551064	33.029301	14.708499	30.537619	54.267685	5.3953252	1.8800777	0.23970899	0.1020296	2.6517773	3.1298106	1.7756623	2.805258	0.80558389	1.8853585	0.39811906	0.89712256	0.18423676	0.42572266	0.050205711	0.11208505	0.004379716	0.005288134	0	0	578.125	351.75	340.375	202.25	271.25	144.5	245	113.625	218.5	93.25	157.125	78	79.625	56.125	31.75	35.75	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	1.118034	0.70710677	0.86602539	0.70710677	1.5811388	-2.2570698	-2.1207926	-2.2559736	-2.1148448	-2.2545061	-2.1092982	-5.4111814	-5.2414937	-5.3114209	-5.1380877	-5.095974	-5.1262751	1.2020918	1.1834626	230.75	253.875	274.625	320.125	173.75	232.5	66.125	91.125	24.25	34.375	5.75	9.125	0.5	0.625	0	0	0.089400925	0.25432527	0.023469388	0.081408143	1.1877036	0.49295691	1.0598711	0.52960432	1.0759208	0.55663717	1.2929488	0.52759928	1.5141792	0.54118603	1.8226515	0.51535076	1.5276124	0.48021302	1.2021793	0.6716758	0.81477576	0.21882923	2.2796693	0.33668777	3.7727251	0.62518436	4.1858115	1.1570171	4.3511286	1.3376679	4.5800614	2.4066796	5.3393946	5.6016212	0	0	1.4401109	1.2257613	407.4339	281.66171	586.75	345.25	831.625	813.5	411	539.5	177.75	278.5	66.125	103	24.25	36.75	5.75	9.25	0.5	0.625	0	0	600.875	559.625	136.375	219.375	4	46	0	11.875	0	2.375	0	0.125	0	0	0	0	282.336	154.121	627	150	48	13	122	52
Artemisinin	3,5-dinitrobenzoic acid 	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=[N+]([O-])c1cc([N+](=O)[O-])cc(C(=O)O)c1	3.8050928	3.3271108	-88182.25	-75666.391	-667016.75	-355250.38	-154.65057	-52.651482	-10.56012	-11.76731	10.56012	11.76731	0.87564999	-2.14852	45.079445	21.999172	456.67719	353.16461	0	0	0	0	456.67719	353.16461	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	19	0	2	4	4	20	15	12	8	58.156837	35.549362	1.3846866	1.8710191	0	0	0	0	15	7	0	0	0	0	22	4	0	0	0	2	5	6	0	0	0	0	1.8182865	2.6709969	-2.8763011	-2.1070769	-0.46847317	-0.60564363	0.48142555	0.66309261	2.9546874	2.3159897	-2.9138391	-2.1254365	-0.40296918	-0.53219718	0.52481794	0.68578243	2.9398463	2.3702374	-2.6583734	-1.9018711	-0.33618459	-0.41121328	0.60764611	0.78769881	3.1623287	2.5198505	30.756554	7.8428278	0	3	0	0.2	0	6	45	19	1	3	23	15	3	1	0	3	0	0.2	44	10	0	0	0	0	0	0	14.120955	11.585422	12.25642	7.114933	10.215178	3.7320509	10.292529	4.4307213	9.4617796	6.9135914	7.713058	3.5872922	6.0543661	1.9820508	6.0990243	2.7828231	7	0	7	0	0	0	0	0	1.0725014	1.3564636	0.76930565	1.0062274	7	6	0	0	0	0	0	0	0	0	67.720932	49.54631	15.392588	10.560834	-3.2059937	10.463477	10.423069	24.965782	0.004222634	-2.81E-14	0	0	2.59E+12	3.21E+09	-9.7782021	-4.2243958	2.59E+12	3.21E+09	-3.9392874	-18.446764	0	0	8.5961571	3.1055405	13.212008	16.72304	33.304897	10.914153	13.629063	14.502304	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.69599873	-0.38651478	-0.49029005	-0.01928976	0.17757317	3.1303203	2.1745486	-0.89714968	-0.85460079	-0.31035468	-0.4044345	-0.002505066	0.21722755	3.1423492	2.2276015	-0.53425395	-0.49550107	-0.21040775	-0.24086788	0.10722204	0.26997957	3.3267074	2.3854113	0.21797732	0	6.1551886	7.8472252	6.7819748	6.4922385	6.7819748	3.5408614	0.72404015	1.3551633	0.72404015	1.6280295	-2.328289	-2.5887227	0	0	0.95388722	6.5820422	7.165029	4.7899346	0	-0.99899948	14	4.0006523	14	14	1	1.0079421	0	4.1178613	13.648394	13.066667	4.2631578	5.3650794	1.6952908	3.5	13.022482	8.8159332	4.0571489	3.5065129	1.6103241	2.228224	2.6417074	2.060879	5	8	0	1	1	1	0	0	3.582	1.564	-3.4716799	-2.9347401	3.2725534	3.9128222	-88505.227	-75890.57	-655666.63	-352612.69	-124.02571	-28.60635	-10.87649	-11.55603	10.87649	11.55603	0.70187002	-2.24698	7.0486565	4.4032984	0	1	1	1	0.54197603	0.48489839	0.76507992	0.51510161	19	6	1	1	4	1	1	3	0	0	0	0	0	0	1.578668	1.6202172	-1.578668	-1.6202172	0.169572	0.18001568	0.19891214	0.20212434	98.274422	24.509808	4.2653861	35.31567	0	0	0	0	12.263453	10.324173	14.708499	28.107601	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	81.429016	2.503756	7.7675405	0.78448415	0.31914783	0.47116494	0.47583219	0.10538135	0.47583219	0.21551585	0.68085217	0.52883506	0.52416778	0.1101345	0.20501997	192.12025	59.825478	115.38834	89.196556	25.807903	89.196556	52.779854	127.62833	129.51176	98.257248	26.971952	38.431774	0.42857143	0.33333334	0.75	0.5	3.6450274	3.5673704	-82636.43	-68530.063	-653627.19	-344292.22	-158.23212	-77.226967	-10.78035	-11.72736	10.78035	11.72736	-0.15042999	-2.16886	2210.6523	1726.8816	1038.6576	837.36212	1466.22	889.51947	1916.4272	1726.8816	1121.4878	884.44879	776.37323	842.4328	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	187.45381	0	0	0	0	0	0	244.9001	187.45381	0	0	4	4	1	1	2.7981894	2.8532743	4	1	0	0	0	0	0.1	0.80000001	2.3949001	1.2012	0	0	7.7454643	21.916697	81.819725	0	0	127.25524	17.643185	27.047791	0	0	0	0	0	52.929554	75.473625	0	99.978043	5.513495	6.8046999	4.67101	73.293228	38.033447	0	0	17.643185	127.25524	8.5265026	3.185575	0	5.513495	75.473625	52.929554	7.7454643	7.7454643	99.978043	0	2.4099162	2.1384521	1.8617485	1.8365109	1.1251426	0	53.990002	128.94	0.51481563	0.56650949	5.523562	4.9068904	2.5399911	2.5597928	8.4195395	7.5440364	244.9001	187.45381	367.00107	210.80423	263.25	156.375	281.14902	184.15395	30.537619	0	0	0	0	0	0	0	160.29349	71.089195	33.029301	82.570595	30.537619	27.133842	5.3953252	1.6927176	0.23970899	0.09874709	2.6517773	3.0067844	1.7756623	2.7530308	0.80558389	2.3087735	0.39811906	0.98992032	0.18423676	0.44867045	0.050205711	0.14615072	0.004379716	0.037878044	0	0	578.125	525.5	340.375	301.125	271.25	208.625	245	156.75	218.5	122.25	157.125	98.125	79.625	81.125	31.75	62.5	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.474782	-2.2559736	-2.4458213	-2.2545061	-2.4361746	-5.4111814	-5.9327955	-5.3114209	-5.9039087	-5.095974	-5.7451763	1.2020918	1.2186936	230.75	257	274.625	374.75	173.75	337.625	66.125	133.25	24.25	47.75	5.75	14.625	0.5	3.5	0	0	0.089400925	0.2330737	0.023469388	0.094098881	1.1877036	0.4623296	1.0598711	0.39108536	1.0759208	0.32935503	1.2929488	0.29600853	1.5141792	0.2368294	1.8226515	0.46901372	1.5276124	0.5531106	1.2021793	0.6102438	0.81477576	0.11524251	2.2796693	0.12601645	3.7727251	0.16286252	4.1858115	0.67457551	4.3511286	1.3770181	4.5800614	2.4703655	5.3393946	3.6255412	0	0	1.4401109	1.2830439	407.4339	336.99158	586.75	432.375	831.625	996	411	684.625	177.75	393.875	66.125	137.25	24.25	48.625	5.75	14.75	0.5	3.5	0	0	600.875	739	136.375	309.875	4	56.25	0	4	0	0.875	0	0.125	0	0	0	0	282.336	212.11699	627	354	48	21	122	72
Artemisinin	3-isochromanone	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1OCc2c(cccc2)C1	3.8050928	4.7865443	-88182.25	-43889.508	-667016.75	-208265.63	-154.65057	-59.483761	-10.56012	-9.8746996	10.56012	9.8746996	0.87564999	-0.14906999	45.079445	22.778343	456.67719	320.84747	0	0	0	0	456.67719	320.84747	0	0	0	1	0	1	1	0	1	0	4	1	0	0	0	6	0	0	42	19	0	0	4	1	20	11	12	8	58.156837	26.181297	1.3846866	1.3779631	0	0	0	0	15	9	0	0	0	0	22	8	0	0	0	0	5	2	0	0	0	0	1.8182865	1.9624009	-2.8763011	-2.4257746	-0.46847317	-0.52961111	0.48142555	0.59316224	2.9546874	2.4564161	-2.9138391	-2.4049468	-0.40296918	-0.42902583	0.52481794	0.69137299	2.9398463	2.5107741	-2.6583734	-2.1611769	-0.33618459	-0.40189573	0.60764611	0.72723144	3.1623287	2.718421	30.756554	11.619656	0	0	0	0	0	6	45	20	1	1	23	12	3	2	0	0	0	0	44	13	0	0	0	0	0	0	14.120955	7.6817985	12.25642	6.0401111	10.215178	5.2236147	10.292529	5.9746914	9.4617796	5.3601732	7.713058	3.5849338	6.0543661	2.8880105	6.0990243	3.8745749	7	0	7	0	0	0	0	0	1.0725014	1.0200412	0.76930565	0.74042881	7	6	0	0	0	0	0	0	0	0	67.720932	20.626417	15.392588	6.4720778	-3.2059937	-5.8467922	10.423069	-0.62884986	0.004222634	0.003512505	0	0	2.59E+12	8.60E+11	-9.7782021	-3.666805	2.59E+12	8.60E+11	-3.9392874	-9.0492773	0	0	8.5961571	4.6981974	13.212008	8.1298027	33.304897	10.08148	13.629063	5.2179427	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75008196	-0.38651478	-0.40913311	-0.01928976	0.061058272	3.1303203	2.2286615	-0.89714968	-0.85487169	-0.31035468	-0.26710382	-0.002505066	0.14078255	3.1423492	2.3208284	-0.53425395	-0.4757767	-0.21040775	-0.18335946	0.10722204	0.16086596	3.3267074	2.5015306	0.21797732	0.06138612	6.1551886	2.3404901	6.7819748	3.7827299	6.7819748	3.7827299	0.72404015	1.5995252	0.72404015	1.5995252	-2.328289	-1.9966573	0	0	0.95388722	4.0198331	7.165029	4.1402578	0	0	14	14	14	14	1	1	0	0	13.648394	7.6388888	4.2631578	3.1640625	1.6952908	1.6	13.022482	5.4812407	4.0571489	2.1856229	1.6103241	1.0678667	2.6417074	1.0890841	5	2	0	0	1	1	0	0	3.582	1.753	-3.4716799	-1.95048	3.2725534	4.7959433	-88505.227	-44001.301	-655666.63	-207398.78	-124.02571	-61.041611	-10.87649	-9.8442297	10.87649	9.8442297	0.70187002	-0.41773	7.0486565	4.2057762	0	0	1	1	0.54197603	0.25631487	0.76507992	0.7836085	19	11	1	1	4	2	1	0	0	0	0	0	0	0	1.578668	0.86174035	-1.578668	-0.86174035	0.169572	0.30963862	0.19891214	0.36000368	98.274422	8.5307722	4.2653861	49.244923	0	0	0	0	12.263453	0	14.708499	14.708499	0	0	44.851616	4.4170794	37.495354	49.019615	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	2.503756	0.78448415	0.78323239	0.47116494	0.4895176	0.10538135	0.1131805	0.21551585	0.21676764	0.52883506	0.51048237	0.1101345	0.10358714	192.12025	111.21239	115.38834	69.50737	25.807903	16.070677	52.779854	30.779177	129.51176	72.484192	26.971952	14.708499	0.42857143	0.5	0.75	1	3.6450274	4.4270554	-82636.43	-40977.566	-653627.19	-203914.41	-158.23212	-61.763672	-10.78035	-9.9268999	10.78035	9.9268999	-0.15042999	-0.22871	2210.6523	777.49402	1038.6576	195.3831	1466.22	597.32721	1916.4272	762.27765	1121.4878	563.85046	776.37323	191.85712	312.79126	21.786444	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	141.99156	0	0	0	0	0	0	244.9001	141.99156	0	0	4	3	1	1	2.7981894	2.2907705	4	2	0	0	0	0	0.1	0	2.3949001	1.5522701	0	0	7.7454643	7.7454643	81.819725	34.862103	0	0	17.643185	6.37115	0	18.868406	0	0	0	70.572739	75.473625	0	99.978043	20.926258	6.8046999	4.0146999	73.293228	34.862103	0	0	17.643185	0	8.5265026	6.37115	0	0	75.473625	110.3674	7.7454643	7.7454643	99.978043	0	2.4099162	1.9920751	1.8617485	1.5129116	1.1251426	0.49356097	53.990002	26.299999	0.51481563	0.71860999	5.523562	4.5849624	2.5399911	2.2845867	8.4195395	6.6107807	244.9001	141.99156	367.00107	200.10162	263.25	145.25	281.14902	164.72623	30.537619	13.566921	0	0	0	0	0	0	160.29349	105.51803	33.029301	17.212255	30.537619	13.566921	5.3953252	5.8967137	0.23970899	0.30198035	2.6517773	2.903064	1.7756623	2.046212	0.80558389	0.83462423	0.39811906	0.3708159	0.18423676	0.1723159	0.050205711	0.062127829	0.004379716	0.003600575	0	0	578.125	467.875	340.375	260.125	271.25	197.5	245	181.625	218.5	162.875	157.125	135.75	79.625	68	31.75	27.375	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.70710677	0.70710677	0.70710677	0.70710677	0.70710677	-2.2570698	-2.2351217	-2.2559736	-2.2134933	-2.2545061	-2.1974032	-5.4111814	-5.1862626	-5.3114209	-5.1834936	-5.095974	-5.1612434	1.2020918	1.1378365	230.75	204.5	274.625	233.125	173.75	119.25	66.125	44.125	24.25	15.375	5.75	4.75	0.5	0.375	0	0	0.089400925	0.077848099	0.023469388	0.026152788	1.1877036	1.3483679	1.0598711	1.2545629	1.0759208	1.380808	1.2929488	1.5717762	1.5141792	1.7622814	1.8226515	1.6759913	1.5276124	0.9126699	1.2021793	0.41122863	0.81477576	0.69548655	2.2796693	2.3658512	3.7727251	4.1189957	4.1858115	4.6023088	4.3511286	4.5294347	4.5800614	4.5382595	5.3393946	5.1381469	0	0	1.4401109	1.3099457	407.4339	285.88971	586.75	374.5	831.625	668.625	411	318	177.75	121.25	66.125	44.125	24.25	15.375	5.75	4.75	0.5	0.375	0	0	600.875	464.125	136.375	84.875	4	2	0	0	0	0	0	0	0	0	0	0	282.336	148.161	627	144	48	14	122	56
Artemisinin	3S-cis-3,6-dimethyl-1,4-dioane-2,5-dione	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1[C@H](C)OC(=O)[C@H](C)O1	3.8050928	2.5442863	-88182.25	-49816.961	-667016.75	-219132.41	-154.65057	-159.84573	-10.56012	-11.14927	10.56012	11.14927	0.87564999	0.30982	45.079445	19.102345	456.67719	306.43372	0	0	0	0	456.67719	306.43372	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	0	0	0	42	18	0	0	4	2	20	10	12	4	58.156837	27.548876	1.3846866	1.530493	0	0	0	0	15	6	0	0	0	0	22	8	0	0	0	0	5	4	0	0	0	0	1.8182865	2.4862268	-2.8763011	-2.4915428	-0.46847317	-0.30343807	0.48142555	0.1864288	2.9546874	2.5946801	-2.9138391	-2.6376035	-0.40296918	-0.2304955	0.52481794	0.23187868	2.9398463	2.4692659	-2.6583734	-2.2831483	-0.33618459	-0.079735167	0.60764611	0.27979842	3.1623287	2.7957182	30.756554	14.493656	0	0	0	0	0	0	45	18	1	2	23	10	3	3	0	0	0	0	44	16	0	0	0	0	0	0	14.120955	7.7236147	12.25642	5.7876935	10.215178	4.1547008	10.292529	4.309401	9.4617796	4.6090608	7.713058	3.0199518	6.0543661	1.7320508	6.0990243	1.8213673	7	2	7	0	0	0	0	0	1.0725014	1.1507065	0.76930565	0.84652776	7	5	0	0	0	0	0	0	0	0	67.720932	63.702404	15.392588	5.6196961	-3.2059937	31.821465	10.423069	37.033646	0.004222634	0.001881142	0	0	2.59E+12	3.26E+11	-9.7782021	-7.3713636	2.59E+12	3.26E+11	-3.9392874	-9.6257162	0	0	8.5961571	0.58653998	13.212008	7.1621504	33.304897	20.460642	13.629063	5.212183	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.7353884	-0.38651478	-0.38229051	-0.01928976	-0.07165806	3.1303203	2.1652455	-0.89714968	-0.90102923	-0.31035468	-0.33027211	-0.002505066	-0.014998874	3.1423492	2.0689454	-0.53425395	-0.51416802	-0.21040775	-0.16775556	0.10722204	0.016483847	3.3267074	2.3627162	0.21797732	0.08652544	6.1551886	4.3197093	6.7819748	4.9700384	6.7819748	4.9700384	0.72404015	0.30147588	0.72404015	0.30147588	-2.328289	-1.0091633	0	0	0.95388722	1.9089482	7.165029	3.3633568	0	0	14	14	14	14	1	1	0	0	13.648394	8.1000004	4.2631578	2.9387755	1.6952908	1.75	13.022482	6.6326399	4.0571489	2.3468571	1.6103241	1.369	2.6417074	1.5565859	5	4	0	0	1	1	0	0	3.582	0.40000001	-3.4716799	-1.21014	3.2725534	1.5605259	-88505.227	-50030.945	-655666.63	-217958.3	-124.02571	-160.20607	-10.87649	-11.2223	10.87649	11.2223	0.70187002	0.25235	7.0486565	3.2996349	0	0	1	1	0.54197603	0.36184642	0.76507992	0.68775302	19	6	1	1	4	1	1	0	0	0	0	0	0	0	1.578668	1.1814828	-1.578668	-1.1814828	0.169572	0.24741344	0.19891214	0.25391144	98.274422	25.592316	4.2653861	8.5307722	0	0	0	9.8098574	12.263453	0	14.708499	29.416998	0	0	44.851616	37.495354	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	32.141354	2.503756	0	0.78448415	0.56948185	0.47116494	0.48701546	0.10538135	0.2247857	0.21551585	0.43051818	0.52883506	0.51298457	0.1101345	0.20573248	192.12025	81.428299	115.38834	69.636711	25.807903	32.141354	52.779854	61.558353	129.51176	73.349945	26.971952	29.416998	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.0253558	-82636.43	-46337.539	-653627.19	-214642.8	-158.23212	-165.55788	-10.78035	-11.24155	10.78035	11.24155	-0.15042999	0.35815001	2210.6523	634.55829	1038.6576	224.05612	1466.22	425.85822	1916.4272	619.20227	1121.4878	395.80838	776.37323	219.90025	312.79126	18.849638	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	142.98665	0	0	0	0	0	0	244.9001	142.98665	0	0	4	3	1	1	2.7981894	2.0982857	4	1	0	0	0	0	0.1	0	2.3949001	-0.1366	0	0	7.7454643	15.490929	81.819725	82.661507	0	0	17.643185	0	0	0	0	0	0	0	75.473625	0	99.978043	66.652031	6.8046999	3.1108	73.293228	69.724205	0	0	17.643185	0	8.5265026	12.937299	0	0	75.473625	0	7.7454643	15.490929	99.978043	66.652031	2.4099162	2.2364671	1.8617485	1.0149981	1.1251426	0.65786141	53.990002	52.599998	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.1110144	8.4195395	6.3436699	244.9001	142.98665	367.00107	170.25549	263.25	125.25	281.14902	152.76357	30.537619	27.133842	0	0	0	0	0	0	160.29349	75.73394	33.029301	34.424511	30.537619	27.133842	5.3953252	1.2801665	0.23970899	0.13111132	2.6517773	2.9603257	1.7756623	2.2784967	0.80558389	1.3355175	0.39811906	0.69926417	0.18423676	0.30563787	0.050205711	0.10449944	0.004379716	0.012905154	0	0	578.125	307.25	340.375	182.5	271.25	144.125	245	122.625	218.5	99.375	157.125	65.5	79.625	36.625	31.75	15.5	7.228416	0.5	7.1763501	0.5	0.5	1	0.70710677	8.5586214	0.70710677	8.13941	0.70710677	0.70710677	-2.2570698	-2.1047111	-2.2559736	-2.1039045	-2.2545061	-2.0813999	-5.4111814	-5.2561712	-5.3114209	-5.2400842	-5.095974	-5.2342448	1.2020918	1.1646844	230.75	260.875	274.625	330.75	173.75	200	66.125	77.625	24.25	27.875	5.75	8.375	0.5	1	0	0	0.089400925	0.1934085	0.023469388	0.068297654	1.1877036	0.61410469	1.0598711	0.49587157	1.0759208	0.3793658	1.2929488	0.42646164	1.5141792	0.64296097	1.8226515	1.0310725	1.5276124	0.90378368	1.2021793	0.4013449	0.81477576	0.21499906	2.2796693	0.5146904	3.7727251	0.88993627	4.1858115	0.94208848	4.3511286	0.90183586	4.5800614	0.98606151	5.3393946	1.1255723	0	0	1.4401109	1.2384188	407.4339	274.03897	586.75	339.375	831.625	660.25	411	402	177.75	200.5	66.125	77.625	24.25	27.875	5.75	8.375	0.5	1	0	0	600.875	399.375	136.375	71.25	4	0.5	0	0	0	0	0	0	0	0	0	0	282.336	144.12599	627	111	48	13	122	48
Artemisinin	4-(2-(3,5-dimethoxyphenyl)vinyl)phenol	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O(C)c1cc(OC)cc(C=Cc2ccc(O)cc2)c1	3.8050928	2.5224285	-88182.25	-74455.898	-667016.75	-445818.06	-154.65057	-58.791119	-10.56012	-8.3792496	10.56012	8.3792496	0.87564999	-0.47694001	45.079445	41.234688	456.67719	507.46036	0	0	0	0	456.67719	507.46036	0	0	0	0	0	0	1	1	1	2	4	3	0	0	0	12	0	0	42	35	0	1	4	4	20	19	12	16	58.156837	46.77002	1.3846866	1.3362862	0	0	0	0	15	16	0	0	0	0	22	16	0	0	0	0	5	3	0	0	0	0	1.8182865	1.72752	-2.8763011	-2.3004098	-0.46847317	-0.65699911	0.48142555	0.65305978	2.9546874	2.2479062	-2.9138391	-2.2681501	-0.40296918	-0.58070707	0.52481794	0.77270448	2.9398463	2.4430387	-2.6583734	-2.0019777	-0.33618459	-0.47153404	0.60764611	0.83341813	3.1623287	2.5708108	30.756554	21.323313	0	4	0	0.2	0	12	45	36	1	1	23	20	3	2	0	4	0	0.2	44	23	0	0	0	0	0	0	14.120955	13.664926	12.25642	10.959863	10.215178	9.6961527	10.292529	11.250712	9.4617796	9.2070398	7.713058	5.9124532	6.0543661	4.4641018	6.0990243	6.3989797	7	0	7	0	0	0	0	0	1.0725014	0.99005693	0.76930565	0.70122659	7	11	0	0	0	0	0	0	0	0	67.720932	41.837948	15.392588	12.368858	-3.2059937	-23.056936	10.423069	15.828815	0.004222634	0.000600395	0	-1.53E-05	2.59E+12	9.26E+10	-9.7782021	-4.5763764	2.59E+12	9.26E+10	-3.9392874	-16.468	0	0	8.5961571	7.3571625	13.212008	39.524841	33.304897	6.2825117	13.629063	38.88575	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.79278064	-0.38651478	-0.44466591	-0.01928976	0.036159322	3.1303203	2.3345056	-0.89714968	-0.89022559	-0.31035468	-0.33290568	-0.002505066	0.1546884	3.1423492	2.5251424	-0.53425395	-0.4870806	-0.21040775	-0.21365134	0.10722204	0.17592485	3.3267074	2.6452324	0.21797732	0.005063929	6.1551886	2.7359934	6.7819748	7.1321115	6.7819748	5.2829704	0.72404015	3.5555573	0.72404015	3.545907	-2.328289	-3.7032368	0	0	0.95388722	7.8131385	7.165029	7.5008917	0	-0.02389754	14	8.6111422	14	14	1	1.1194557	0	0.014419865	13.648394	15.39	4.2631578	7.6952662	1.6952908	4.7950053	13.022482	11.243983	4.0571489	5.515379	1.6103241	3.3853812	2.6417074	3.2639384	5	3	0	1	1	1	0	0	3.582	4.2249999	-3.4716799	-3.99787	3.2725534	2.125258	-88505.227	-74656.375	-655666.63	-442472.69	-124.02571	-65.061974	-10.87649	-8.7757397	10.87649	8.7757397	0.70187002	0.055989999	7.0486565	7.5444779	0	0	1	1	0.54197603	0.11622553	0.76507992	0.8851791	19	13	1	1	4	2	1	4	0	0	0	0	0	0	1.578668	1.4258353	-1.578668	-1.4258353	0.169572	0.15241121	0.19891214	0.25236586	98.274422	49.995316	4.2653861	89.356346	0	0	0	0	12.263453	10.324173	14.708499	0	0	0	44.851616	65.691597	37.495354	49.019615	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	12.775052	0.78448415	0.91665804	0.47116494	0.45997006	0.10538135	0.04609235	0.21551585	0.083341934	0.52883506	0.54002994	0.1101345	0.037249584	192.12025	254.06288	115.38834	127.48627	25.807903	12.775052	52.779854	23.099226	129.51176	149.67584	26.971952	10.324173	0.42857143	0.45454547	0.75	0.83333331	3.6450274	2.1685622	-82636.43	-69687.578	-653627.19	-438822.38	-158.23212	-59.761841	-10.78035	-8.4511204	10.78035	8.4511204	-0.15042999	-0.57437998	2210.6523	4531.1353	1038.6576	526.26398	1466.22	4008.0515	1916.4272	4527.9556	1121.4878	903.52997	776.37323	3624.4055	312.79126	3.1997895	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	277.16211	0	0	0	0	0	0	244.9001	277.16211	0	0	4	6	1	0	2.7981894	4.2046356	4	2	0	0	0	0	0.1	0.10526316	2.3949001	3.5797999	0	47.385002	7.7454643	0	81.819725	0	0	0	17.643185	6.37115	0	70.767738	0	0	0	123.50229	75.473625	35.286369	99.978043	15.730285	6.8046999	7.6580801	73.293228	0	0	47.385002	17.643185	0	8.5265026	22.101435	0	0	75.473625	123.50229	7.7454643	35.286369	99.978043	70.767738	2.4099162	4.1870527	1.8617485	1.7069592	1.1251426	0.29795608	53.990002	38.689999	0.51481563	0.5023343	5.523562	5.321928	2.5399911	3.2661514	8.4195395	8.1736355	244.9001	277.16211	367.00107	365.50381	263.25	258.875	281.14902	282.7843	30.537619	5.0075121	0	0	0	0	0	0	160.29349	243.38594	33.029301	0	30.537619	18.574432	5.3953252	6.4835749	0.23970899	0.64586651	2.6517773	2.7234223	1.7756623	2.0539167	0.80558389	0.95603067	0.39811906	0.24882005	0.18423676	0.063990332	0.050205711	0.008277188	0.004379716	0	0	0	578.125	799.75	340.375	490.375	271.25	366.875	245	308.625	218.5	262.375	157.125	209	79.625	137.625	31.75	84.625	7.228416	6.5	7.1763501	0.5	0.5	6.5192022	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.86602539	-2.2570698	-2.2126887	-2.2559736	-2.1874275	-2.2545061	-2.1829975	-5.4111814	-4.3346314	-5.3114209	-4.3330841	-5.095974	-4.1717982	1.2020918	1.2762669	230.75	221.625	274.625	263.875	173.75	157.75	66.125	35.625	24.25	7.25	5.75	1	0.5	0	0	0	0.089400925	0.021805793	0.023469388	0.003240178	1.1877036	0.17397621	1.0598711	0.21456434	1.0759208	0.5482325	1.2929488	0.81294018	1.5141792	0.99014473	1.8226515	0.30200335	1.5276124	0.51158941	1.2021793	0.35097963	0.81477576	0.66616094	2.2796693	1.4650357	3.7727251	1.7460146	4.1858115	2.889159	4.3511286	5.9479985	4.5800614	8.695837	5.3393946	0	0	0	1.4401109	1.3977174	407.4339	459.32031	586.75	642	831.625	1034.875	411	525.375	177.75	175.875	66.125	39.5	24.25	8	5.75	1	0.5	0	0	0	600.875	813.25	136.375	261.5	4	18.125	0	3.875	0	0.75	0	0	0	0	0	0	282.336	256.30099	627	788	48	25	122	92
Artemisinin	Adipic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)CCCCC(=O)O	3.8050928	1.6851748	-88182.25	-50499.582	-667016.75	-217409.31	-154.65057	-212.65076	-10.56012	-11.35581	10.56012	11.35581	0.87564999	0.90785003	45.079445	20.43593	456.67719	331.83752	0	0	0	0	456.67719	331.83752	0	0	0	0	0	0	1	2	1	3	4	4	0	0	0	0	0	0	42	20	0	4	4	8	20	10	12	4	58.156837	29.709505	1.3846866	1.4854753	0	0	0	0	15	6	0	0	0	0	22	10	0	0	0	0	5	4	0	0	0	0	1.8182865	2.9286928	-2.8763011	-2.5616179	-0.46847317	-0.51627213	0.48142555	0.44767353	2.9546874	2.5809493	-2.9138391	-2.4818525	-0.40296918	-0.4777776	0.52481794	0.39325818	2.9398463	2.677778	-2.6583734	-2.33759	-0.33618459	-0.30401537	0.60764611	0.58176947	3.1623287	2.8060098	30.756554	12.84807	0	5	0	0.55555558	0	0	45	19	1	2	23	9	3	5	0	5	0	0.55555558	44	17	0	0	0	0	0	0	14.120955	7.9831276	12.25642	5.539351	10.215178	3.8284271	10.292529	3.9831276	9.4617796	4.6258979	7.713058	3.0625687	6.0543661	2.2071068	6.0990243	2.3164966	7	0	7	0	0	0	0	0	1.0725014	1.0957226	0.76930565	0.81247222	7	7	0	0	0	0	0	0	0	0	67.720932	-25.452885	15.392588	5.8596673	-3.2059937	-45.711109	10.423069	-44.941593	0.004222634	2.89E-05	0	0	2.59E+12	7.16E+10	-9.7782021	-2.1822033	2.59E+12	7.16E+10	-3.9392874	-16.890413	0	0	8.5961571	1.8352761	13.212008	10.386976	33.304897	11.793734	13.629063	0.76951867	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76710945	-0.38651478	-0.46337116	-0.01928976	0.088552997	3.1303203	2.1604469	-0.89714968	-0.87458265	-0.31035468	-0.36841723	-0.002505066	0.037824661	3.1423492	2.2147391	-0.53425395	-0.524755	-0.21040775	-0.23611055	0.10722204	0.20529382	3.3267074	2.3640566	0.21797732	0.19259876	6.1551886	4.5341711	6.7819748	9.0301237	6.7819748	3.404001	0.72404015	-0.49738264	0.72404015	-0.34147701	-2.328289	-0.26148072	0	0	0.95388722	1.909019	7.165029	3.5331964	0	-1.9810247	14	4.6598682	14	14	1	1.0988164	0	5.5813355	13.648394	10	4.2631578	5.7600002	1.6952908	9.1428576	13.022482	8.1884441	4.0571489	4.5998402	1.6103241	7.1523266	2.6417074	3.7665534	5	4	0	2	1	1	0	0	3.582	0.36000001	-3.4716799	0.25040001	3.2725534	0.62071168	-88505.227	-50724.051	-655666.63	-213816.42	-124.02571	-199.97952	-10.87649	-11.56452	10.87649	11.56452	0.70187002	0.77034003	7.0486565	3.4956801	0	0	1	1	0.54197603	0.26216778	0.76507992	0.97069514	19	0	1	1	4	0	1	5	0	0	0	0	0	0	1.578668	1.2800889	-1.578668	-1.2800889	0.169572	0.20278884	0.19891214	0.25878468	98.274422	51.525715	4.2653861	0	0	0	0	0	12.263453	20.648346	14.708499	29.416998	0	0	44.851616	17.402626	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	15.535081	0.78448415	0.42637157	0.47116494	0.37158594	0.10538135	0.2639381	0.21551585	0.57362843	0.52883506	0.62841409	0.1101345	0.30969033	192.12025	68.928345	115.38834	60.071548	25.807903	42.668922	52.779854	92.734268	129.51176	101.59106	26.971952	50.065342	0.42857143	0.42857143	0.75	0.75	3.6450274	1.0664731	-82636.43	-47082.688	-653627.19	-212049.94	-158.23212	-203.55434	-10.78035	-11.36894	10.78035	11.36894	-0.15042999	0.82858002	2210.6523	949.39447	1038.6576	222.94305	1466.22	825.46277	1916.4272	850.38312	1121.4878	611.82697	776.37323	152.68956	312.79126	184.87791	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	161.66261	0	0	0	0	0	0	244.9001	161.66261	0	0	4	4	1	0	2.7981894	2.5488005	4	0	0	0	0	0	0.1	0	2.3949001	0.71600002	0	0	7.7454643	15.490929	81.819725	47.724434	0	50.770454	17.643185	0	0	0	0	0	0	0	75.473625	75.473625	99.978043	0	6.8046999	3.37396	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	0	0	0	75.473625	75.473625	7.7454643	15.490929	99.978043	0	2.4099162	2.0807741	1.8617485	1.221051	1.1251426	0.91317004	53.990002	74.599998	0.51481563	0.68007702	5.523562	4.1699252	2.5399911	2.7247529	8.4195395	6.2517991	244.9001	161.66261	367.00107	179.87321	263.25	133.375	281.14902	171.17162	30.537619	0	0	0	0	0	0	0	160.29349	63.233978	33.029301	29.416998	30.537619	54.267685	5.3953252	2.0981426	0.23970899	0.066023886	2.6517773	3.0545218	1.7756623	2.6446047	0.80558389	1.7406762	0.39811906	1.0197729	0.18423676	0.4846307	0.050205711	0.1676008	0.004379716	0.012326279	0	0	578.125	274.25	340.375	152.75	271.25	117.625	245	99.75	218.5	80.75	157.125	64.375	79.625	28.125	31.75	3.875	7.228416	0.70710677	7.1763501	1.118034	0.5	0.5	0.70710677	8.276473	0.70710677	8.0622578	0.70710677	0.70710677	-2.2570698	-2.3486023	-2.2559736	-2.2948387	-2.2545061	-2.2815423	-5.4111814	-5.2056565	-5.3114209	-5.2029328	-5.095974	-5.1830096	1.2020918	1.2033248	230.75	304.375	274.625	405.875	173.75	270.75	66.125	113	24.25	47	5.75	13.25	0.5	1.375	0	0	0.089400925	0.41232732	0.023469388	0.13283208	1.1877036	0.92680848	1.0598711	0.70908618	1.0759208	0.93042123	1.2929488	1.2136179	1.5141792	1.3430535	1.8226515	1.4120984	1.5276124	1.1771277	1.2021793	1.6181359	0.81477576	0.4718582	2.2796693	0.76161033	3.7727251	1.0511906	4.1858115	1.1506912	4.3511286	1.1683069	4.5800614	1.3622452	5.3393946	3.0702875	0	0	1.4401109	1.2235886	407.4339	295.03381	586.75	361	831.625	808.75	411	549.5	177.75	302	66.125	121.25	24.25	48.5	5.75	13.25	0.5	1.375	0	0	600.875	504.375	136.375	143.625	4	31.25	0	8.25	0	1.5	0	0	0	0	0	0	282.336	146.142	627	151	48	7	122	38
Artemisinin	Amidosulfonic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	S(=O)(=O)(O)N	3.8050928	3.8113751	-88182.25	-32397.074	-667016.75	-95350.727	-154.65057	-136.83961	-10.56012	-12.60951	10.56012	12.60951	0.87564999	-0.54496002	45.079445	8.4063787	456.67719	213.67763	0	0	0	0	456.67719	213.67763	0	0	0	0	0	0	1	1	1	2	4	3	0	0	0	0	0	0	42	8	0	4	4	7	20	5	12	0	58.156837	14.490225	1.3846866	1.8112781	0	0	0	0	15	0	0	0	0	0	22	3	0	0	0	1	5	3	0	0	0	1	1.8182865	3.0237157	-2.8763011	-2.2074893	-0.46847317	-0.52288622	0.48142555	0.5246048	2.9546874	2.2487688	-2.9138391	-2.5830636	-0.40296918	-0.66016972	0.52481794	0.55048263	2.9398463	1.9863957	-2.6583734	-1.8788141	-0.33618459	-0.3466312	0.60764611	0.63067895	3.1623287	2.6188834	30.756554	9.0956211	0	0	0	0	0	0	45	7	1	0	23	4	3	4	0	0	0	0	44	7	0	0	0	0	0	0	14.120955	4.5	12.25642	3.0658054	10.215178	0	10.292529	0	9.4617796	2	7.713058	2.2548294	6.0543661	0	6.0990243	0	7	0	7	0	0	0	0	0	1.0725014	1.6115187	0.76930565	1.293088	7	2	0	0	0	0	0	0	0	0	67.720932	26.466953	15.392588	32.016434	-3.2059937	-130.29907	10.423069	-130.36034	0.004222634	0	0	0	2.59E+12	2.27E+09	-9.7782021	-4.731451	2.59E+12	2.27E+09	-3.9392874	-18.967491	0	0	8.5961571	2.3021958	13.212008	45.260635	33.304897	122.50866	13.629063	-0.061268106	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.69683796	-0.38651478	-0.37585041	-0.01928976	0.08731623	3.1303203	1.4818815	-0.89714968	-1.3480653	-0.31035468	-0.5494197	-0.002505066	0.12208351	3.1423492	1.2894707	-0.53425395	-0.41523531	-0.21040775	-0.14751501	0.10722204	0.19325955	3.3267074	1.8035614	0.21797732	0.18308167	6.1551886	4.2709622	6.7819748	11.454227	6.7819748	0	0.72404015	-1.2565448	0.72404015	-2.1259458	-2.328289	0.95120424	0	1.5152313	0.95388722	0	7.165029	1.6932765	0	-0.99999052	14	1.9769267	14	14	1	1.0001192	0	13.155174	13.648394	5	4.2631578	1	1.6952908	0	13.022482	6.9609375	4.0571489	1.53125	1.6103241	0	2.6417074	2.1317871	5	4	0	3	1	1	0	0	3.582	-1.6210001	-3.4716799	0.30298999	3.2725534	3.6426919	-88505.227	-33184.637	-655666.63	-94321.234	-124.02571	27.42877	-10.87649	-12.05954	10.87649	12.05954	0.70187002	-1.95129	7.0486565	1.467822	0	0	1	1	0.54197603	0.7765764	0.76507992	0.9724291	19	0	1	1	4	0	1	0	0	0	0	0	0	0	1.578668	0.5263384	-1.578668	-0.5263384	0.169572	0.37784851	0.19891214	0.41727439	98.274422	0	4.2653861	17.238026	0	10.324173	0	15.105593	12.263453	0	14.708499	0	0	0	44.851616	0	37.495354	32.016521	0	9.0437498	7.2334704	0	7.2334704	10.208881	16.070677	0	2.503756	0	0.78448415	0.89132196	0.47116494	0.54578263	0.10538135	0.10867802	0.21551585	0.10867802	0.52883506	0.45421734	0.1101345	0	192.12025	83.728065	115.38834	51.269154	25.807903	10.208881	52.779854	10.208881	129.51176	42.667789	26.971952	0	0.42857143	0.5	0.75	1	3.6450274	2.9074767	-82636.43	-29433.535	-653627.19	-89138.234	-158.23212	-132.29198	-10.78035	-10.88461	10.78035	10.88461	-0.15042999	-0.32001999	2210.6523	164.28249	1038.6576	92.817497	1466.22	116.22608	1916.4272	119.52139	1121.4878	48.128754	776.37323	44.993332	312.79126	71.1604	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	93.936943	0	0	0	0	0	0	244.9001	93.936943	0	0	4	1	1	0	2.7981894	1.3007668	4	0	0	0	0	0	0.1	0.2	2.3949001	-1.8178	0	54.222187	7.7454643	48.171688	81.819725	8.3446236	0	0	17.643185	0	0	0	0	0	0	0	75.473625	0	99.978043	0	6.8046999	1.5326	73.293228	48.171688	0	22.930752	17.643185	0	8.5265026	0	0	31.291433	75.473625	0	7.7454643	0	99.978043	8.3446236	2.4099162	1.4115164	1.8617485	0.76891702	1.1251426	0.60396028	53.990002	80.389999	0.51481563	0.90438145	5.523562	3	2.5399911	0.9709506	8.4195395	4.25	244.9001	93.936943	367.00107	75.086922	263.25	60.25	281.14902	90.196167	30.537619	0	0	0	0	0	0	20.13512	160.29349	0	33.029301	15.105593	30.537619	68.159904	5.3953252	2.290005	0.23970899	0.018945701	2.6517773	3.5159717	1.7756623	3.1972449	0.80558389	2.7315907	0.39811906	1.7151394	0.18423676	0.9681465	0.050205711	0.51852721	0.004379716	0.2279999	0	0.061297577	578.125	116.625	340.375	50.875	271.25	34.875	245	17.625	218.5	7.875	157.125	2.875	79.625	0.375	31.75	0	7.228416	8.031189	7.1763501	8.1240387	0.5	6.8920245	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-1.41389	-2.2559736	-1.4114922	-2.2545061	-1.4032694	-5.4111814	-7.4074349	-5.3114209	-7.0587072	-5.095974	-6.9967241	1.2020918	1.136856	230.75	160.25	274.625	262.25	173.75	235.625	66.125	118.625	24.25	58.5	5.75	31.25	0.5	13.125	0	3	0.089400925	1.9820789	0.023469388	1.8439716	1.1877036	1.4092766	1.0598711	1.248091	1.0759208	1.3579838	1.2929488	1.1685724	1.5141792	1.184865	1.8226515	0.95152235	1.5276124	1.8192571	1.2021793	0	0.81477576	0.46399888	2.2796693	0.45090255	3.7727251	0.47458628	4.1858115	0.78477341	4.3511286	1.0152637	4.5800614	1.330487	5.3393946	1.7583119	0	2.2016308	1.4401109	1.0689952	407.4339	189.89793	586.75	203	831.625	650.625	411	518.125	177.75	335	66.125	151.875	24.25	69.125	5.75	32.5	0.5	13.125	0	3	600.875	490.375	136.375	255.875	4	99.375	0	33.25	0	10.625	0	1.25	0	0	0	0	282.336	97.094002	627	16	48	0	122	20
Artemisinin	Ascorbic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1C(O)=C(O)C(C(O)CO)O1	3.8050928	0.96047229	-88182.25	-64592.992	-667016.75	-294290.59	-154.65057	-237.87376	-10.56012	-9.5547304	10.56012	9.5547304	0.87564999	-0.44292	45.079445	20.706345	456.67719	333.16336	0	0	0	0	456.67719	333.16336	0	0	0	0	0	0	1	2	1	3	4	5	0	0	0	0	0	0	42	20	0	4	4	9	20	12	12	5	58.156837	31.419012	1.3846866	1.5709506	0	0	0	0	15	6	0	0	0	0	22	8	0	0	0	0	5	6	0	0	0	0	1.8182865	2.5964684	-2.8763011	-2.5009716	-0.46847317	-0.69562441	0.48142555	0.74367368	2.9546874	2.6227434	-2.9138391	-2.6801896	-0.40296918	-0.82934767	0.52481794	0.55678648	2.9398463	2.4504216	-2.6583734	-2.3007514	-0.33618459	-0.57124507	0.60764611	0.82933503	3.1623287	2.8135939	30.756554	11.619656	0	2	0	0.16666667	0	0	45	20	1	2	23	12	3	5	0	2	0	0.16666667	44	18	0	0	0	0	0	0	14.120955	9.3009653	12.25642	5.9671583	10.215178	3.3618073	10.292529	3.5938582	9.4617796	5.5745859	7.713058	3.1958475	6.0543661	1.5302567	6.0990243	1.7415817	7	2	7	2	0	0	0	0	1.0725014	1.2648042	0.76930565	0.94384623	7	6	0	0	0	0	0	0	0	0	67.720932	84.676659	15.392588	28.339855	-3.2059937	40.22583	10.423069	40.754166	0.004222634	0.000209652	0	0	2.59E+12	2.51E+08	-9.7782021	-6.5535421	2.59E+12	2.51E+08	-3.9392874	-20.836882	0	0	8.5961571	1.3145007	13.212008	10.810195	33.304897	14.267927	13.629063	0.52833647	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.79077744	-0.38651478	-0.45987651	-0.01928976	0.20419729	3.1303203	2.2362881	-0.89714968	-0.93982822	-0.31035468	-0.58208936	-0.002505066	0.06112713	3.1423492	2.1189663	-0.53425395	-0.52164072	-0.21040775	-0.27547947	0.10722204	0.24744362	3.3267074	2.4318523	0.21797732	0.086345121	6.1551886	6.2228479	6.7819748	10.283262	6.7819748	2.6371441	0.72404015	-1.162369	0.72404015	-1.2045313	-2.328289	0.17346713	0	0	0.95388722	2.2486045	7.165029	3.7691567	0	-0.3312684	14	7.3029218	14	9.9075994	1	1.9227129	0	5.4272466	13.648394	10.083333	4.2631578	3.8062284	1.6952908	1.8595041	13.022482	8.6589355	4.0571489	3.2191904	1.6103241	1.5539644	2.6417074	2.322897	5	6	0	4	1	1	0	0	3.582	-1.253	-3.4716799	0.40355	3.2725534	1.9420129	-88505.227	-64900.199	-655666.63	-292748.22	-124.02571	-249.86758	-10.87649	-9.5278902	10.87649	9.5278902	0.70187002	-0.51577997	7.0486565	3.5380616	0	0	1	1	0.54197603	0.30403087	0.76507992	0.75833136	19	5	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	2.0448661	-1.578668	-2.0448661	0.169572	0.15636043	0.19891214	0.19187789	98.274422	0	4.2653861	32.012836	0	18.268377	0	8.458519	12.263453	41.296692	14.708499	0	0	14.708499	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	16.070677	2.503756	31.070162	0.78448415	0.36284682	0.47116494	0.29119816	0.10538135	0.29119816	0.21551585	0.63715321	0.52883506	0.70880181	0.1101345	0.34595501	192.12025	58.739735	115.38834	47.140839	25.807903	47.140839	52.779854	103.14603	129.51176	114.74493	26.971952	56.005188	0.42857143	0.5	0.75	1	3.6450274	1.3534585	-82636.43	-59869.68	-653627.19	-288439.88	-158.23212	-233.77657	-10.78035	-9.4807596	10.78035	9.4807596	-0.15042999	-0.35505	2210.6523	1086.2043	1038.6576	320.25378	1466.22	798.79553	1916.4272	1053.3595	1121.4878	513.74237	776.37323	452.36594	312.79126	120.09608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	161.88576	0	0	0	0	0	0	244.9001	161.88576	0	0	4	3	1	0	2.7981894	2.4833992	4	1	0	0	0	0	0.1	0.58333331	2.3949001	-1.4074	0	50.770454	7.7454643	7.7454643	81.819725	47.799404	0	71.696709	17.643185	0	0	10.486856	0	0	0	0	75.473625	0	99.978043	0	6.8046999	3.52562	73.293228	34.862103	0	50.770454	17.643185	50.770454	8.5265026	23.424154	0	0	75.473625	0	7.7454643	28.671722	99.978043	0	2.4099162	2.2843928	1.8617485	1.2675908	1.1251426	0.67125833	53.990002	107.22	0.51481563	0.65002245	5.523562	4.5849624	2.5399911	2.3822954	8.4195395	6.878418	244.9001	161.88576	367.00107	186.60243	263.25	139.25	281.14902	174.07262	30.537619	13.566921	0	0	0	0	0	0	160.29349	55.892551	33.029301	17.212255	30.537619	67.834602	5.3953252	1.5037235	0.23970899	0.034120392	2.6517773	3.1175654	1.7756623	2.866082	0.80558389	2.1995239	0.39811906	1.2295634	0.18423676	0.70091075	0.050205711	0.35531318	0.004379716	0.11602239	0	0.028843053	578.125	261.125	340.375	145.75	271.25	100.625	245	78.75	218.5	58.5	157.125	42.875	79.625	29.5	31.75	17	7.228416	0.5	7.1763501	1	0.5	0.5	0.70710677	5.1234756	0.70710677	5.0497522	0.70710677	0.5	-2.2570698	-2.1731808	-2.2559736	-2.1653619	-2.2545061	-2.1514442	-5.4111814	-8.1708202	-5.3114209	-7.1400108	-5.095974	-7.037508	1.2020918	1.2019773	230.75	296.25	274.625	412.875	173.75	317.125	66.125	145.875	24.25	70.75	5.75	30.875	0.5	10.125	0	2.875	0.089400925	0.73664594	0.023469388	0.3984127	1.1877036	0.75805932	1.0598711	0.67243654	1.0759208	0.710922	1.2929488	0.82510132	1.5141792	1.0717442	1.8226515	1.4806904	1.5276124	1.8366988	1.2021793	1.9375224	0.81477576	0.29023364	2.2796693	0.40335649	3.7727251	0.59403473	4.1858115	0.67416459	4.3511286	0.89579773	4.5800614	1.23636	5.3393946	2.0253711	0	3.3292043	1.4401109	1.2300291	407.4339	297.14743	586.75	365.5	831.625	865.625	411	638.625	177.75	374.5	66.125	160.5	24.25	74.125	5.75	31.375	0.5	10.125	0	2.875	600.875	569.375	136.375	225.75	4	57.375	0	14.625	0	3.375	0	0.5	0	0	0	0	282.336	176.12399	627	188	48	17	122	58
Artemisinin	Benzidine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Nc1ccc(-c2ccc(N)cc2)cc1	3.8050928	2.4720347	-88182.25	-48779.605	-667016.75	-271686.84	-154.65057	47.46788	-10.56012	-7.9353099	10.56012	7.9353099	0.87564999	0.14445999	45.079445	31.321516	456.67719	397.85666	0	0	0	0	456.67719	397.85666	0	0	0	1	0	1	1	0	1	0	4	0	0	0	0	12	0	0	42	26	0	2	4	2	20	14	12	12	58.156837	34.172333	1.3846866	1.3143204	0	0	0	0	15	12	0	0	0	0	22	12	0	0	0	2	5	0	0	0	0	0	1.8182865	1.8016256	-2.8763011	-2.2850993	-0.46847317	-0.64474297	0.48142555	0.70143652	2.9546874	2.2117188	-2.9138391	-2.3307307	-0.40296918	-0.53807992	0.52481794	0.80591482	2.9398463	2.4253001	-2.6583734	-1.9248362	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.5742784	30.756554	11.798484	0	1	0	0.06666667	0	12	45	27	1	0	23	15	3	2	0	1	0	0.06666667	44	15	0	0	0	0	0	0	14.120955	9.9662552	12.25642	7.7735028	10.215178	6.6188021	10.292529	7.9662552	9.4617796	6.7540202	7.713058	4.4700847	6.0543661	3.8927345	6.0990243	5.5993195	7	0	7	0	0	0	0	0	1.0725014	0.9577232	0.76930565	0.67441833	7	9	0	0	0	0	0	0	0	0	67.720932	7.4392419	15.392588	6.2098303	-3.2059937	-24.284634	10.423069	-6.2233992	0.004222634	7.58E-15	0	0	2.59E+12	1.74E+10	-9.7782021	-1.4348447	2.59E+12	1.74E+10	-3.9392874	-5.0055814	0	0	8.5961571	5.9719744	13.212008	18.841526	33.304897	1.4808358	13.629063	18.061235	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81364125	-0.38651478	-0.38407964	-0.01928976	0.081658386	3.1303203	2.2569308	-0.89714968	-1.3345413	-0.31035468	-0.26386139	-0.002505066	0.16445385	3.1423492	2.4488192	-0.53425395	-0.40795547	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.5877323	0.21797732	0	6.1551886	1.9121082	6.7819748	6.7285762	6.7819748	1.3150425	0.72404015	2.2090914	0.72404015	2.2090914	-2.328289	-2.6403339	0	0	0.95388722	6.8210874	7.165029	5.8435469	0	0	14	14	14	14	1	1	0	0	13.648394	10.515555	4.2631578	4.6799998	1.6952908	2.75	13.022482	6.6259599	4.0571489	2.8307774	1.6103241	1.6116164	2.6417074	1.3397585	5	2	0	4	1	1	0	0	3.582	2.5220001	-3.4716799	-3.25302	3.2725534	1.761349	-88505.227	-48838.258	-655666.63	-270247	-124.02571	46.779121	-10.87649	-8.5633497	10.87649	8.5633497	0.70187002	0.11517	7.0486565	5.769505	0	1	1	1	0.54197603	0.10021461	0.76507992	0.8997854	19	12	1	1	4	2	1	1	0	0	0	0	0	0	1.578668	1.0244954	-1.578668	-1.0244954	0.169572	0.12095785	0.19891214	0.29502782	98.274422	13.399102	4.2653861	34.123089	0	34.476051	0	0	12.263453	0	14.708499	0	0	0	44.851616	53.436695	37.495354	49.019615	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	13.302238	0.78448415	0.93273437	0.47116494	0.58535814	0.10538135	0.067265645	0.21551585	0.067265645	0.52883506	0.41464186	0.1101345	0	192.12025	184.45456	115.38834	115.75855	25.807903	13.302238	52.779854	13.302238	129.51176	81.998245	26.971952	0	0.42857143	0.44444445	0.75	0.80000001	3.6450274	0.054129474	-82636.43	-44526.234	-653627.19	-264873.75	-158.23212	43.133461	-10.78035	-8.0225296	10.78035	8.0225296	-0.15042999	-0.24955	2210.6523	1828.2134	1038.6576	183.21368	1466.22	1644.9996	1916.4272	1828.2134	1121.4878	503.73856	776.37323	1324.4747	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	197.75679	0	0	0	0	0	0	244.9001	197.75679	0	0	4	5	1	0	2.7981894	3.1500621	4	2	0	0	0	0	0.1	1	2.3949001	2.5179999	0	65.794373	7.7454643	0	81.819725	0	0	0	17.643185	0	0	0	0	0	0	147.51663	75.473625	0	99.978043	5.513495	6.8046999	6.0702801	73.293228	0	0	0	17.643185	0	8.5265026	0	0	11.884645	75.473625	206.93985	7.7454643	0	99.978043	0	2.4099162	3.2883799	1.8617485	1.4175673	1.1251426	0	53.990002	52.040001	0.51481563	0.61744827	5.523562	4.9068904	2.5399911	2.8380249	8.4195395	7.2784166	244.9001	197.75679	367.00107	273.18652	263.25	192.375	281.14902	214.7541	30.537619	0	0	0	0	0	0	35.484978	160.29349	144.28413	33.029301	0	30.537619	35.484978	5.3953252	0.20232001	0.23970899	0.34345901	2.6517773	2.9524219	1.7756623	2.6442814	0.80558389	1.0561166	0.39811906	0.35102409	0.18423676	0.13769592	0.050205711	0.001811748	0.004379716	0	0	0	578.125	644.875	340.375	390.5	271.25	278.75	245	232.875	218.5	205.375	157.125	181.625	79.625	138.5	31.75	73.625	7.228416	4	7.1763501	0.5	0.5	3.5	0.70710677	5	0.70710677	13.009612	0.70710677	13.93736	-2.2570698	-2.1315022	-2.2559736	-2.1304765	-2.2545061	-2.1229153	-5.4111814	-4.2194586	-5.3114209	-4.1638789	-5.095974	-4.0894752	1.2020918	1.2033066	230.75	78.75	274.625	74.125	173.75	26.75	66.125	0.125	24.25	-2	5.75	-0.75	0.5	0	0	0	0.089400925	0.04529148	0.023469388	0.004830918	1.1877036	0.043523934	1.0598711	0.10845734	1.0759208	0.1249093	1.2929488	0.073918402	1.5141792	0.03886015	1.8226515	0.088520095	1.5276124	0.15734366	1.2021793	0.40605113	0.81477576	0.021649236	2.2796693	0.054385912	3.7727251	0.064296752	4.1858115	0.15023977	4.3511286	0.095418744	4.5800614	0.84134692	5.3393946	0	0	0	1.4401109	1.3360997	407.4339	351.77014	586.75	470	831.625	922.625	411	512.875	177.75	162.75	66.125	46.25	24.25	12.625	5.75	1.125	0.5	0	0	0	600.875	843.875	136.375	438.75	4	136	0	46.125	0	14.625	0	1.875	0	0	0	0	282.336	184.24199	627	315	48	18	122	70
Artemisinin	benzoquinone	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1C=CC(=O)C=C1	3.8050928	0.008062257	-88182.25	-33724.551	-667016.75	-123029.13	-154.65057	-25.07798	-10.56012	-10.87612	10.56012	10.87612	0.87564999	-1.73505	45.079445	14.831172	456.67719	259.32797	0	0	0	0	456.67719	259.32797	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	0	0	0	42	12	0	0	4	2	20	8	12	4	58.156837	17.509775	1.3846866	1.4591479	0	0	0	0	15	6	0	0	0	0	22	4	0	0	0	0	5	2	0	0	0	0	1.8182865	2.2708447	-2.8763011	-2.1444497	-0.46847317	-0.59327322	0.48142555	0.49851274	2.9546874	2.2341306	-2.9138391	-2.1873031	-0.40296918	-0.52542406	0.52481794	0.50794101	2.9398463	2.2159705	-2.6583734	-1.8380178	-0.33618459	-0.38079596	0.60764611	0.68863338	3.1623287	2.5481751	30.756554	6.2888279	0	0	0	0	0	0	45	12	1	4	23	8	3	1	0	0	0	0	44	8	0	0	0	0	0	0	14.120955	5.9831276	12.25642	4.1258979	10.215178	3.309401	10.292529	3.9831276	9.4617796	3.7876937	7.713058	2.2296154	6.0543661	1.8213673	6.0990243	2.6329932	7	0	7	0	0	0	0	0	1.0725014	1.1044291	0.76930565	0.78827792	7	5	0	0	0	0	0	0	0	0	67.720932	10.914501	15.392588	0.99784273	-3.2059937	-4.4305887	10.423069	-2.3723557	0.004222634	0.000467097	0	0	2.59E+12	1.49E+12	-9.7782021	-2.2448165	2.59E+12	1.49E+12	-3.9392874	-11.91818	0	0	8.5961571	3.5504465	13.212008	3.9445946	33.304897	8.738101	13.629063	2.058233	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.67743421	-0.38651478	-0.4359003	-0.01928976	0.030120021	3.1303203	1.8571587	-0.89714968	-0.82125956	-0.31035468	-0.31932682	-0.002505066	0.056497447	3.1423492	1.857401	-0.53425395	-0.36728978	-0.21040775	-0.2226499	0.10722204	0.19875295	3.3267074	2.1525631	0.21797732	1.15E-06	6.1551886	3.1893208	6.7819748	3.1566596	6.7819748	3.1566596	0.72404015	1.1557171	0.72404015	1.1557171	-2.328289	-1.475089	0	0	0.95388722	3.7254961	7.165029	2.9074104	0	0	14	14	14	14	1	1	0	0	13.648394	6.125	4.2631578	2.52	1.6952908	1.8	13.022482	3.716748	4.0571489	1.4002867	1.6103241	0.92399871	2.6417074	0.65056413	5	2	0	0	1	1	0	0	3.582	0.336	-3.4716799	-1.41372	3.2725534	0.01118034	-88505.227	-33817.336	-655666.63	-122811.45	-124.02571	-32.853931	-10.87649	-10.95843	10.87649	10.95843	0.70187002	-1.50956	7.0486565	2.9204569	0	0	1	1	0.54197603	0.24574269	0.76507992	0.75425822	19	6	1	1	4	1	1	0	0	0	0	0	0	0	1.578668	0.62114024	-1.578668	-0.62114024	0.169572	0.28851718	0.19891214	0.46350873	98.274422	0	4.2653861	17.061544	0	0	0	16.917038	12.263453	0	14.708499	0	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	0	0.78448415	0.75362444	0.47116494	0.69147414	0.10538135	0.24637555	0.21551585	0.24637555	0.52883506	0.30852586	0.1101345	0	192.12025	82.998199	115.38834	76.153458	25.807903	27.133842	52.779854	27.133842	129.51176	33.978584	26.971952	0	0.42857143	0.40000001	0.75	0.66666669	3.6450274	0.026019223	-82636.43	-31325.285	-653627.19	-119658.86	-158.23212	-31.547449	-10.78035	-10.92105	10.78035	10.92105	-0.15042999	-1.70622	2210.6523	395.98914	1038.6576	97.311394	1466.22	298.67792	1916.4272	395.98895	1121.4878	289.63977	776.37323	103.97939	312.79126	2.3699751	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	110.13204	0	0	0	0	0	0	244.9001	110.13204	0	0	4	3	1	0	2.7981894	1.9139775	4	1	0	0	0	0	0.1	1	2.3949001	0.25060001	0	0	7.7454643	11.375222	81.819725	47.724434	0	0	17.643185	0	0	0	0	0	0	70.572739	75.473625	0	99.978043	0	6.8046999	2.8294001	73.293228	47.724434	0	0	17.643185	0	8.5265026	0	0	0	75.473625	70.572739	7.7454643	11.375222	99.978043	0	2.4099162	1.4718763	1.8617485	1.4609106	1.1251426	0.001576948	53.990002	34.139999	0.51481563	0.8112781	5.523562	4	2.5399911	1.9905418	8.4195395	5.649457	244.9001	110.13204	367.00107	137.1293	263.25	97.875	281.14902	122.11395	30.537619	27.133842	0	0	0	0	0	0	160.29349	63.233978	33.029301	16.917038	30.537619	27.133842	5.3953252	0.11475319	0.23970899	0.13327043	2.6517773	3.2424564	1.7756623	2.8187912	0.80558389	1.5427923	0.39811906	0.79167241	0.18423676	0.36729077	0.050205711	0.096425578	0.004379716	0	0	0	578.125	294.25	340.375	167.25	271.25	121.5	245	104	218.5	88.5	157.125	74.5	79.625	46.625	31.75	22.25	7.228416	6.5	7.1763501	0.5	0.5	6.5192022	0.70710677	8	0.70710677	0.5	0.70710677	8.0156097	-2.2570698	-2.0531082	-2.2559736	-1.9997963	-2.2545061	-1.9950515	-5.4111814	-4.785933	-5.3114209	-4.7763925	-5.095974	-4.7261672	1.2020918	1.1312106	230.75	282.5	274.625	347.25	173.75	192	66.125	71.5	24.25	25.625	5.75	5.875	0.5	0	0	0	0.089400925	0.21090534	0.023469388	0.056490384	1.1877036	0.014992234	1.0598711	0.01657596	1.0759208	0.066845797	1.2929488	0.052482691	1.5141792	0.016719354	1.8226515	0.13408983	1.5276124	0.39711258	1.2021793	0.81231827	0.81477576	0.002370938	2.2796693	0.015306554	3.7727251	0.030106502	4.1858115	0.054122526	4.3511286	0.065647051	4.5800614	0.16477239	5.3393946	0	0	0	1.4401109	1.1858414	407.4339	230.21626	586.75	273	831.625	671.75	411	418.375	177.75	192.125	66.125	71.5	24.25	25.625	5.75	5.875	0.5	0	0	0	600.875	389.25	136.375	71.125	4	0.125	0	0	0	0	0	0	0	0	0	0	282.336	108.096	627	62	48	7	122	36
Artemisinin	chloranilic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	ClC=1C(=O)C(O)=C(Cl)C(=O)C=1O	3.8050928	2.0613816	-88182.25	-65112.332	-667016.75	-265515.09	-154.65057	-120.45722	-10.56012	-10.13081	10.56012	10.13081	0.87564999	-2.1612699	45.079445	19.461586	456.67719	327.40579	0	0	0	0	456.67719	327.40579	0	0	0	0	0	0	1	2	1	2	4	4	0	0	0	0	0	0	42	14	0	4	4	8	20	12	12	6	58.156837	25.793194	1.3846866	1.842371	0	0	0	0	15	6	0	2	0	0	22	2	0	0	0	0	5	4	0	0	0	0	1.8182865	2.8086598	-2.8763011	-2.1403565	-0.46847317	-0.68924814	0.48142555	0.6601274	2.9546874	2.326138	-2.9138391	-2.2274647	-0.40296918	-0.51498389	0.52481794	0.78424489	2.9398463	2.274889	-2.6583734	-1.8646111	-0.33618459	-0.37134752	0.60764611	0.95401186	3.1623287	2.5962157	30.756554	4.9424138	0	0	0	0	0	0	45	14	1	4	23	12	3	1	0	0	0	0	44	10	0	0	0	0	0	0	14.120955	9.4641018	12.25642	6.9787107	10.215178	3	10.292529	3.4641016	9.4617796	5.4641018	7.713058	3.4893553	6.0543661	1.5	6.0990243	2	7	0	7	0	0	0	0	0	1.0725014	1.4717183	0.76930565	1.1230531	7	5	0	0	0	0	0	0	0	0	67.720932	56.190777	15.392588	4.3099008	-3.2059937	35.69503	10.423069	40.056557	0.004222634	0.0001515	0	0	2.59E+12	4.16E+09	-9.7782021	-5.3871059	2.59E+12	4.16E+09	-3.9392874	-19.7584	0	0	8.5961571	4.6395631	13.212008	6.9976335	33.304897	7.1846032	13.629063	4.3615294	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.74075323	-0.38651478	-0.49117893	-0.01928976	0.14454305	3.1303203	1.9755483	-0.89714968	-0.82336366	-0.31035468	-0.35801071	-0.002505066	0.30723432	3.1423492	1.977926	-0.53425395	-0.42803392	-0.21040775	-0.1982888	0.10722204	0.44702849	3.3267074	2.2556911	0.21797732	1.78E-05	6.1551886	4.9700956	6.7819748	4.7153692	6.7819748	0	0.72404015	2.0985324	0.72404015	2.2213945	-2.328289	-2.7383823	0	0	0.95388722	4.587369	7.165029	4.1925797	0	-1.0051534	14	1.1548781	14	14	1	1.0341901	0	11.540967	13.648394	10.083333	4.2631578	3.3950617	1.6952908	1.5625	13.022482	9.5367689	4.0571489	3.1935182	1.6103241	1.463442	2.6417074	2.537987	5	4	0	2	1	1	0	0	3.582	1.22	-3.4716799	-2.4235401	3.2725534	2.2775252	-88505.227	-64392.141	-655666.63	-263284.38	-124.02571	-137.21342	-10.87649	-10.27312	10.87649	10.27312	0.70187002	-1.9116499	7.0486565	4.0530515	0	0	1	1	0.54197603	0.31986469	0.76507992	0.68014985	19	6	1	1	4	1	1	0	0	0	0	0	0	0	1.578668	1.4306328	-1.578668	-1.4306328	0.169572	0.16131091	0.19891214	0.24826549	98.274422	0	4.2653861	0	0	25.956532	0	0	12.263453	37.565384	14.708499	0	0	0	44.851616	0	37.495354	59.163895	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	15.535081	0.78448415	0.51477468	0.47116494	0.61584461	0.10538135	0.25804475	0.21551585	0.48522535	0.52883506	0.38415542	0.1101345	0.22718059	192.12025	85.120422	115.38834	101.83282	25.807903	42.668922	52.779854	80.234306	129.51176	63.521915	26.971952	37.565384	0.42857143	0.2	0.75	0.25	3.6450274	1.9014629	-82636.43	-58777.328	-653627.19	-258302.11	-158.23212	-131.67627	-10.78035	-9.5996304	10.78035	9.5996304	-0.15042999	-1.95818	2210.6523	1361.7872	1038.6576	435.58447	1466.22	926.21259	1916.4272	1361.7773	1121.4878	919.38281	776.37323	436.88446	312.79126	5.5198936	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	165.35474	0	0	0	0	0	0	244.9001	165.35474	0	0	4	4	1	0	2.7981894	2.5526903	4	1	0	0	0	0	0.1	1	2.3949001	1.155	0	0	7.7454643	11.375222	81.819725	47.724434	0	50.770454	17.643185	0	0	17.48807	0	0	0	0	75.473625	0	99.978043	78.297287	6.8046999	4.1029601	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	17.48807	0	0	75.473625	0	7.7454643	11.375222	99.978043	78.297287	2.4099162	1.935605	1.8617485	1.5099396	1.1251426	0.008167571	53.990002	74.599998	0.51481563	0.65002245	5.523562	4.5849624	2.5399911	2.1339197	8.4195395	6.9102907	244.9001	165.35474	367.00107	186.0856	263.25	142	281.14902	169.31911	30.537619	0	0	0	0	0	0	0	160.29349	85.120422	33.029301	16.917038	30.537619	54.267685	5.3953252	0.91857451	0.23970899	0.11755507	2.6517773	3.0018046	1.7756623	2.647882	0.80558389	1.9741622	0.39811906	0.80310708	0.18423676	0.38688022	0.050205711	0.16863622	0.004379716	0.090819679	0	0.048623916	578.125	447	340.375	256.75	271.25	186.625	245	147.5	218.5	110.75	157.125	93.25	79.625	66.375	31.75	48	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.4552372	-2.2559736	-2.442806	-2.2545061	-2.4205811	-5.4111814	-8.6547813	-5.3114209	-8.6104422	-5.095974	-8.3912792	1.2020918	1.1780249	230.75	232.875	274.625	333.625	173.75	250.875	66.125	94.375	24.25	40.625	5.75	17.125	0.5	9	0	4.125	0.089400925	0.22438045	0.023469388	0.1161017	1.1877036	0.28149852	1.0598711	0.26634353	1.0759208	0.22949563	1.2929488	0.34479535	1.5141792	0.4498952	1.8226515	0.51784098	1.5276124	0.42571312	1.2021793	0.29396015	0.81477576	0.068573214	2.2796693	0.2103731	3.7727251	0.29774386	4.1858115	0.5299992	4.3511286	0.91211623	4.5800614	1.6657012	5.3393946	1.9695529	0	1.9252262	1.4401109	1.2710023	407.4339	298.68158	586.75	379.625	831.625	830.5	411	545.25	177.75	291.375	66.125	100.5	24.25	41.875	5.75	17.125	0.5	9	0	4.125	600.875	597.625	136.375	211.625	4	40.5	0	6.125	0	1.25	0	0	0	0	0	0	282.336	208.98399	627	174	48	21	122	60
Artemisinin	Cholesterol	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	OC1CC=2C(C)(C3C(C4C(C)(C(C(CCCC(C)C)C)CC4)CC3)CC=2)CC1	3.8050928	1.4481747	-88182.25	-101805.97	-667016.75	-1000300.1	-154.65057	-132.89272	-10.56012	-9.2832603	10.56012	9.2832603	0.87564999	1.17817	45.079445	78.994476	456.67719	688.35162	0	0	0	0	456.67719	688.35162	0	0	0	0	0	0	1	2	1	3	4	1	0	0	0	0	0	0	42	74	0	1	4	2	20	28	12	27	58.156837	77.033737	1.3846866	1.0409964	0	0	0	0	15	27	0	0	0	0	22	46	0	0	0	0	5	1	0	0	0	0	1.8182865	1.4606847	-2.8763011	-2.9496543	-0.46847317	-0.44070402	0.48142555	0.4693535	2.9546874	2.9595468	-2.9138391	-2.863224	-0.40296918	-0.35548863	0.52481794	0.48419213	2.9398463	3.054733	-2.6583734	-2.6904643	-0.33618459	-0.3133736	0.60764611	0.60154516	3.1623287	3.2200611	30.756554	50.287521	0	5	0	0.16129032	0	0	45	77	1	1	23	31	3	8	0	5	0	0.16129032	44	76	0	0	0	0	0	0	14.120955	20.104084	12.25642	19.344191	10.215178	18.896976	10.292529	19.104084	9.4617796	13.253692	7.713058	12.629845	6.0543661	12.371646	6.0990243	12.676341	7	8	7	8	0	0	0	0	1.0725014	0.88506782	0.76930565	0.62312889	7	15	0	0	0	0	0	0	0	0	67.720932	79.033798	15.392588	23.635761	-3.2059937	-18.455942	10.423069	17.559032	0.004222634	0.006447368	0	0	2.59E+12	3.50E+09	-9.7782021	-3.3099511	2.59E+12	3.50E+09	-3.9392874	-1.4974091	0	0	8.5961571	2.3134506	13.212008	25.710295	33.304897	35.519108	13.629063	36.014977	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.80962843	-0.38651478	-0.33656684	-0.01928976	-0.014328266	3.1303203	3.4561219	-0.89714968	-0.8757453	-0.31035468	-0.25724113	-0.002505066	0.003587431	3.1423492	3.5616858	-0.53425395	-0.54280895	-0.21040775	-0.19717017	0.10722204	0.10544121	3.3267074	3.6821561	0.21797732	0.063000172	6.1551886	1.3365741	6.7819748	4.3576684	6.7819748	3.252836	0.72404015	9.8281946	0.72404015	9.8281946	-2.328289	-10.032492	0	0	0.95388722	0.69314706	7.165029	11.862259	0	0	14	14	14	14	1	1	0	0	13.648394	21.240376	4.2631578	7.921875	1.6952908	3.6548443	13.022482	20.639818	4.0571489	7.6894631	1.6103241	3.5448589	2.6417074	5.6681828	5	1	0	1	1	1	0	1	3.582	7.2729998	-3.4716799	-10.33695	3.2725534	1.351209	-88505.227	-102122.02	-655666.63	-978041.63	-124.02571	-63.551971	-10.87649	-9.6524296	10.87649	9.6524296	0.70187002	0.75475001	7.0486565	11.804273	0	0	1	1	0.54197603	0.16054681	0.76507992	0.89825583	19	20	1	1	4	4	1	5	0	1	0	0	0	0	1.578668	1.5377194	-1.578668	-1.5377194	0.169572	0.1364287	0.19891214	0.25458083	98.274422	183.41161	4.2653861	13.4357	0	0	0	0	12.263453	10.324173	14.708499	0	0	0	44.851616	69.610504	37.495354	134.30577	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	7.7675405	0.78448415	0.95680678	0.47116494	0.50538653	0.10538135	0.018544687	0.21551585	0.043193229	0.52883506	0.49461347	0.1101345	0.024648543	192.12025	400.76358	115.38834	211.68382	25.807903	7.7675405	52.779854	18.091713	129.51176	207.17148	26.971952	10.324173	0.42857143	0.46666667	0.75	0.875	3.6450274	1.3194942	-82636.43	-96987.781	-653627.19	-989005.44	-158.23212	-121.43118	-10.78035	-9.4613895	10.78035	9.4613895	-0.15042999	1.01167	2210.6523	8741.8613	1038.6576	1363.3925	1466.22	7628.1504	1916.4272	8492.1797	1121.4878	5700.1094	776.37323	2570.3684	312.79126	471.38358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	418.85529	0	0	0	0	0	0	244.9001	418.85529	0	0	4	8	1	0	2.7981894	4.7548308	4	4	0	0	0	0	0.1	0	2.3949001	7.3887	0	25.385227	7.7454643	0	81.819725	6.4686494	0	0	17.643185	26.464777	0	3.185575	0	0	0	17.643185	75.473625	207.55246	99.978043	166.63008	6.8046999	11.90528	73.293228	0	0	25.385227	17.643185	26.464777	8.5265026	9.6542244	0	0	75.473625	225.19565	7.7454643	0	99.978043	166.63008	2.4099162	4.5009284	1.8617485	1.8914711	1.1251426	1.1297256	53.990002	20.23	0.51481563	0.39893496	5.523562	5.9541965	2.5399911	3.5490704	8.4195395	9.3020458	244.9001	418.85529	367.00107	620.52008	263.25	436.875	281.14902	456.36035	30.537619	0	0	0	0	0	0	0	160.29349	360.66248	33.029301	0	30.537619	13.566921	5.3953252	9.3776035	0.23970899	0.59167022	2.6517773	2.5239756	1.7756623	1.7836804	0.80558389	0.46047884	0.39811906	0.15031314	0.18423676	0.060018536	0.050205711	0.014777295	0.004379716	0	0	0	578.125	1045.5	340.375	625.375	271.25	486.625	245	438.375	218.5	399.875	157.125	327	79.625	198.25	31.75	89.625	7.228416	0.5	7.1763501	0.5	0.5	1	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.4887028	-2.2559736	-2.4834177	-2.2545061	-2.4356899	-5.4111814	-4.9261851	-5.3114209	-4.7309756	-5.095974	-4.6611524	1.2020918	1.3136929	230.75	237.25	274.625	250.625	173.75	106.5	66.125	32	24.25	10.375	5.75	2.25	0.5	0	0	0	0.089400925	0.022861546	0.023469388	0.005132592	1.1877036	1.126785	1.0598711	1.1140045	1.0759208	1.5021975	1.2929488	1.7795177	1.5141792	1.9125699	1.8226515	1.4226565	1.5276124	0.71016687	1.2021793	0.57710338	0.81477576	0.53396189	2.2796693	2.5756829	3.7727251	6.6001482	4.1858115	8.2241325	4.3511286	8.0166321	4.5800614	7.9017649	5.3393946	0	0	0	1.4401109	1.5546064	407.4339	619.69061	586.75	963.375	831.625	1199.125	411	517.125	177.75	128	66.125	36	24.25	11.125	5.75	2.25	0.5	0	0	0	600.875	961.875	136.375	266.5	4	21.5	0	4	0	0.75	0	0	0	0	0	0	282.336	386.664	627	2022	48	54	122	158
Artemisinin	Citric acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)C(O)(CC(=O)O)CC(=O)O	3.8050928	3.1854851	-88182.25	-72029.898	-667016.75	-341366.84	-154.65057	-325.78119	-10.56012	-11.48381	10.56012	11.48381	0.87564999	0.29486999	45.079445	21.508345	456.67719	341.00027	0	0	0	0	456.67719	341.00027	0	0	0	0	0	0	1	2	1	4	4	7	0	0	0	0	0	0	42	21	0	7	4	14	20	13	12	3	58.156837	33.077408	1.3846866	1.5751146	0	0	0	0	15	6	0	0	0	0	22	8	0	0	0	0	5	7	0	0	0	0	1.8182865	4.3661151	-2.8763011	-2.4897442	-0.46847317	-0.54747319	0.48142555	0.52248627	2.9546874	2.6606603	-2.9138391	-2.6563029	-0.40296918	-0.53947544	0.52481794	0.43599299	2.9398463	2.5163462	-2.6583734	-2.3082192	-0.33618459	-0.34254473	0.60764611	0.64423949	3.1623287	2.835217	30.756554	11.619656	0	5	0	0.41666666	0	0	45	20	1	3	23	12	3	4	0	5	0	0.41666666	44	17	0	0	0	0	0	0	14.120955	10.646264	12.25642	6.4278131	10.215178	3.4142137	10.292529	3.6462643	9.4617796	5.7763801	7.713058	3.1710131	6.0543661	1.6642135	6.0990243	1.8122785	7	0	7	0	0	0	0	0	1.0725014	1.3091856	0.76930565	0.96984565	7	6	0	0	0	0	0	0	0	0	67.720932	-30.625467	15.392588	8.1344252	-3.2059937	-75.818932	10.423069	-66.916809	0.004222634	0.000328322	0	0	2.59E+12	1.55E+09	-9.7782021	-4.9639215	2.59E+12	1.55E+09	-3.9392874	-30.850595	0	0	8.5961571	2.5865541	13.212008	31.538481	33.304897	25.570034	13.629063	8.9021196	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75486881	-0.38651478	-0.49329126	-0.01928976	0.13536495	3.1303203	2.2575231	-0.89714968	-0.9347508	-0.31035468	-0.48959371	-0.002505066	0.037487574	3.1423492	2.1294873	-0.53425395	-0.50746322	-0.21040775	-0.24784119	0.10722204	0.23502363	3.3267074	2.4416623	0.21797732	0.44623315	6.1551886	7.6198616	6.7819748	14.16655	6.7819748	3.4179616	0.72404015	-2.0561054	0.72404015	-1.6191722	-2.328289	0.35033724	0	0	0.95388722	2.8639534	7.165029	4.0318766	0	-2.9909403	14	3.5441496	14	14	1	1.0568441	0	11.208171	13.648394	13	4.2631578	5.0242214	1.6952908	4.6875	13.022482	10.353063	4.0571489	3.9180312	1.6103241	3.5905898	2.6417074	3.1202786	5	7	0	4	1	1	0	0	3.582	-1.526	-3.4716799	0.86063999	3.2725534	2.6109934	-88505.227	-72348.984	-655666.63	-338402.47	-124.02571	-308.64694	-10.87649	-11.49747	10.87649	11.49747	0.70187002	0.29984	7.0486565	3.7493827	0	0	1	1	0.54197603	0.52570724	0.76507992	0.91761267	19	0	1	1	4	0	1	5	0	0	0	0	0	0	1.578668	2.161062	-1.578668	-2.161062	0.169572	0.13537854	0.19891214	0.17470631	98.274422	17.061544	4.2653861	17.402626	0	0	0	0	12.263453	41.296692	14.708499	44.125496	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	40.700764	2.503756	31.070162	0.78448415	0.17982186	0.47116494	0.37447533	0.10538135	0.37447533	0.21551585	0.82017815	0.52883506	0.6255247	0.1101345	0.44570279	192.12025	34.464172	115.38834	71.77092	25.807903	71.77092	52.779854	157.19312	129.51176	119.88636	26.971952	85.422188	0.42857143	0.5	0.75	1	3.6450274	2.9240625	-82636.43	-66686.133	-653627.19	-334570.97	-158.23212	-318.26672	-10.78035	-11.37817	10.78035	11.37817	-0.15042999	0.34279001	2210.6523	1078.9967	1038.6576	464.3161	1466.22	810.45557	1916.4272	883.2218	1121.4878	589.61169	776.37323	213.98119	312.79126	275.40384	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	191.65729	0	0	0	0	0	0	244.9001	191.65729	0	0	4	3	1	0	2.7981894	2.3698475	4	0	0	0	0	0	0.1	0	2.3949001	-1.2485	0	25.385227	7.7454643	23.236393	81.819725	71.586647	0	76.155678	17.643185	0	0	0	0	0	0	0	75.473625	37.736813	99.978043	0	6.8046999	3.70912	73.293228	71.586647	0	25.385227	17.643185	76.155678	8.5265026	0	0	0	75.473625	37.736813	7.7454643	23.236393	99.978043	0	2.4099162	1.759324	1.8617485	1.3209246	1.1251426	1.1752405	53.990002	132.13	0.51481563	0.5894835	5.523562	4.5849624	2.5399911	2.4775453	8.4195395	7.1236811	244.9001	191.65729	367.00107	198.09647	263.25	146.75	281.14902	181.92221	30.537619	0	0	0	0	0	0	0	160.29349	31.616989	33.029301	44.125496	30.537619	94.968445	5.3953252	1.3588465	0.23970899	0.022001138	2.6517773	3.1497056	1.7756623	2.8985362	0.80558389	2.3137057	0.39811906	1.5594447	0.18423676	0.9479686	0.050205711	0.46731117	0.004379716	0.16578589	0	0.061953284	578.125	212.25	340.375	111.375	271.25	76.75	245	59.875	218.5	46.125	157.125	32.25	79.625	19.125	31.75	6.625	7.228416	7.2629194	7.1763501	0.5	0.5	6.9641943	0.70710677	7.8421936	0.70710677	5.2201533	0.70710677	6.6895442	-2.2570698	-1.8619403	-2.2559736	-1.8468428	-2.2545061	-1.8239537	-5.4111814	-7.9422193	-5.3114209	-7.8951163	-5.095974	-7.864994	1.2020918	1.1932573	230.75	334.5	274.625	456	173.75	381.125	66.125	200.625	24.25	99.375	5.75	42.125	0.5	15.25	0	5	0.089400925	1.3436482	0.023469388	0.70772445	1.1877036	0.84702033	1.0598711	0.91352153	1.0759208	0.92117012	1.2929488	0.93856478	1.5141792	1.0801346	1.8226515	1.2810246	1.5276124	1.6679165	1.2021793	1.9902402	0.81477576	0.19871324	2.2796693	0.23325799	3.7727251	0.30304146	4.1858115	0.42889079	4.3511286	0.52399361	4.5800614	0.50614989	5.3393946	0.59179306	0	1.372192	1.4401109	1.2499386	407.4339	300.21475	586.75	375.25	831.625	924.375	411	700.625	177.75	444.75	66.125	216.25	24.25	103.125	5.75	42.375	0.5	15.25	0	5	600.875	589.875	136.375	244.625	4	63.625	0	15.625	0	3.75	0	0.25	0	0	0	0	282.336	192.123	627	246	48	16	122	58
Artemisinin	Formic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=CO	3.8050928	1.4794729	-88182.25	-18382.174	-667016.75	-39135.266	-154.65057	-97.379356	-10.56012	-11.81999	10.56012	11.81999	0.87564999	0.95718002	45.079445	4.6975861	456.67719	161.44217	0	0	0	0	456.67719	161.44217	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	0	0	0	42	5	0	2	4	4	20	3	12	0	58.156837	7.6096406	1.3846866	1.5219281	0	0	0	0	15	1	0	0	0	0	22	2	0	0	0	0	5	2	0	0	0	0	1.8182865	1.9756047	-2.8763011	-1.7407578	-0.46847317	-0.50707018	0.48142555	0.48155582	2.9546874	1.7790294	-2.9138391	-1.9104395	-0.40296918	-0.48754093	0.52481794	0.50056034	2.9398463	1.5917103	-2.6583734	-1.4895102	-0.33618459	-0.35625026	0.60764611	0.59239405	3.1623287	2.0045745	30.756554	3.1444139	0	0	0	0	0	0	45	4	1	1	23	2	3	1	0	0	0	0	44	3	0	0	0	0	0	0	14.120955	2.7071068	12.25642	1.4328122	10.215178	0.57735026	10.292529	0.70710677	9.4617796	1.4142135	7.713058	0.49390116	6.0543661	0	6.0990243	0	7	0	7	0	0	0	0	0	1.0725014	1.2032679	0.76930565	0.95832914	7	2	0	0	0	0	0	0	0	0	67.720932	-9.3868704	15.392588	1.479297	-3.2059937	-16.450474	10.423069	-16.450537	0.004222634	6.90E-15	0	0	2.59E+12	8.31E+11	-9.7782021	-4.2139082	2.59E+12	8.31E+11	-3.9392874	-8.3341074	0	0	8.5961571	0.22164775	13.212008	5.6076021	33.304897	5.3627205	13.629063	-6.22E-05	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.7059682	-0.38651478	-0.39697674	-0.01928976	0.12056857	3.1303203	1.1205804	-0.89714968	-0.87149912	-0.31035468	-0.39998433	-0.002505066	0.12851468	3.1423492	0.97950357	-0.53425395	-0.40490448	-0.21040775	-0.21165276	0.10722204	0.17696695	3.3267074	1.3262132	0.21797732	0	6.1551886	2.1625366	6.7819748	4.2716503	6.7819748	1.2883058	0.72404015	-0.56129545	0.72404015	-0.46232811	-2.328289	0.39671183	0	0	0.95388722	0.95464069	7.165029	0.94275951	0	-0.9985075	14	4.1745563	14	14	1	1.0112664	0	3.8794339	13.648394	3	4.2631578	2	1.6952908	0	13.022482	1.95075	4.0571489	0.833	1.6103241	0	2.6417074	0.54165822	5	2	0	1	1	1	0	0	3.582	-0.102	-3.4716799	0.51734	3.2725534	1.4877446	-88505.227	-18475.205	-655666.63	-39254.813	-124.02571	-92.575691	-10.87649	-11.73962	10.87649	11.73962	0.70187002	0.96056002	7.0486565	0.95069873	0	0	1	1	0.54197603	0.13655849	0.76507992	0.86344153	19	0	1	1	4	0	1	0	0	0	0	0	0	0	1.578668	0.60263735	-1.578668	-0.60263735	0.169572	0.40910184	0.19891214	0.55374908	98.274422	0	4.2653861	0	0	4.2653861	0	0	12.263453	35.079037	14.708499	0	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	7.7675405	0.78448415	0.070294403	0.47116494	0.35159615	0.10538135	0.35159615	0.21551585	0.92970562	0.52883506	0.64840388	0.1101345	0.57810944	192.12025	4.2653861	115.38834	21.334461	25.807903	21.334461	52.779854	56.413498	129.51176	39.344421	26.971952	35.079037	0.42857143	0.5	0.75	1	3.6450274	1.5054548	-82636.43	-17001.412	-653627.19	-37892.703	-158.23212	-94.412102	-10.78035	-11.56482	10.78035	11.56482	-0.15042999	0.96621001	2210.6523	48.301003	1038.6576	6.595912	1466.22	41.70509	1916.4272	48.301003	1121.4878	31.598398	776.37323	16.702602	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	60.678883	0	0	0	0	0	0	244.9001	60.678883	0	0	4	1	1	0	2.7981894	1.0244274	4	0	0	0	0	0	0.1	0	2.3949001	-0.2992	0	0	7.7454643	0	81.819725	46.065289	0	25.385227	17.643185	0	0	0	0	0	0	0	75.473625	0	99.978043	0	6.8046999	0.86927998	73.293228	23.862217	0	0	17.643185	25.385227	8.5265026	0	0	0	75.473625	0	7.7454643	0	99.978043	22.203074	2.4099162	1.0245203	1.8617485	0.65841156	1.1251426	0	53.990002	37.299999	0.51481563	0.99107605	5.523562	2	2.5399911	0.91829586	8.4195395	2.5	244.9001	60.678883	367.00107	48.026295	263.25	38.25	281.14902	59.450497	30.537619	0	0	0	0	0	0	0	160.29349	0	33.029301	28.308455	30.537619	27.133842	5.3953252	1.6423942	0.23970899	0.087557018	2.6517773	3.6262975	1.7756623	2.845835	0.80558389	1.8809417	0.39811906	1.0451195	0.18423676	0.49748126	0.050205711	0.12047417	0.004379716	0.009106247	0	0	578.125	114.75	340.375	61.75	271.25	54.375	245	45.5	218.5	34.75	157.125	24.875	79.625	1.5	31.75	0	7.228416	0.70710677	7.1763501	0.5	0.5	0.5	0.70710677	0.70710677	0.70710677	0.86602539	0.70710677	0.5	-2.2570698	-1.4510283	-2.2559736	-1.4492253	-2.2545061	-1.4397506	-5.4111814	-5.3178864	-5.3114209	-5.1896524	-5.095974	-5.1100364	1.2020918	1.1065857	230.75	233.125	274.625	252.25	173.75	140.625	66.125	57.75	24.25	21.125	5.75	4.75	0.5	0.5	0	0	0.089400925	0.40689656	0.023469388	0.10714286	1.1877036	0.73585212	1.0598711	0.70514262	1.0759208	0.71787548	1.2929488	0.71685839	1.5141792	0.6647594	1.8226515	0.50810182	1.5276124	1.1537064	1.2021793	0	0.81477576	0.2484751	2.2796693	0.40338799	3.7727251	0.5630163	4.1858115	0.66074669	4.3511286	0.94108599	4.5800614	1.7485363	5.3393946	3.0095587	0	0	1.4401109	0.97145545	407.4339	144.62834	586.75	140.5	831.625	443.75	411	286.375	177.75	154.875	66.125	61.375	24.25	22.125	5.75	4.875	0.5	0.5	0	0	600.875	210.625	136.375	34.125	4	14.25	0	3.625	0	1	0	0.125	0	0	0	0	282.336	46.024998	627	4	48	0	122	6
Artemisinin	Imidazole	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	[nH]1cncc1	3.8050928	3.5992827	-88182.25	-19640.998	-667016.75	-64074.613	-154.65057	50.839569	-10.56012	-9.1589899	10.56012	9.1589899	0.87564999	0.97714001	45.079445	10.147172	456.67719	213.37012	0	0	0	0	456.67719	213.37012	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	5	0	0	42	9	0	2	4	4	20	5	12	2	58.156837	13.774438	1.3846866	1.530493	0	0	0	0	15	3	0	0	0	0	22	4	0	0	0	2	5	0	0	0	0	0	1.8182865	2.2340245	-2.8763011	-1.9321773	-0.46847317	-0.63427609	0.48142555	0.76293045	2.9546874	2.0067749	-2.9138391	-1.8726497	-0.40296918	-0.58695543	0.52481794	0.8117184	2.9398463	2.0732477	-2.6583734	-1.6132972	-0.33618459	-0.50594401	0.60764611	0.89273858	3.1623287	2.307307	30.756554	6.352828	0	0	0	0	0	5	45	9	1	0	23	5	3	1	0	0	0	0	44	4	0	0	0	0	0	0	14.120955	3.5355339	12.25642	2.6792643	10.215178	1.7320508	10.292529	2.1213202	9.4617796	2.5	7.713058	1.4270813	6.0543661	0.33333334	6.0990243	0.5	7	0	7	0	0	0	0	0	1.0725014	0.96565956	0.76930565	0.73105079	7	2	0	0	0	0	0	0	0	0	67.720932	36.446228	15.392588	31.871685	-3.2059937	-1.1405152	10.423069	-1.2948855	0.004222634	-1.10E-14	0	0	2.59E+12	1.48E+12	-9.7782021	-0.19329719	2.59E+12	1.48E+12	-3.9392874	-12.464762	0	0	8.5961571	4.6135788	13.212008	5.2920623	33.304897	1.2558494	13.629063	-0.15437028	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.84855765	-0.38651478	-0.38161644	-0.01928976	0.17695744	3.1303203	1.6183847	-0.89714968	-0.80566907	-0.31035468	-0.32101119	-0.002505066	0.22449692	3.1423492	1.6787702	-0.53425395	-0.44839263	-0.21040775	-0.2220917	0.10722204	0.2615425	3.3267074	1.8974553	0.21797732	0	6.1551886	2.3794518	6.7819748	3.83021	6.7819748	1.0219902	0.72404015	-0.12942338	0.72404015	-0.071084917	-2.328289	-0.34574556	0	0	0.95388722	2.3706651	7.165029	2.0056682	0	0.12733257	14	14	14	7.8359094	1	1.4641639	0	0.081198074	13.648394	3.2	4.2631578	1.4400001	1.6952908	0.63999999	13.022482	1.8263474	4.0571489	0.67399931	1.6103241	0.21096732	2.6417074	0.24619137	5	2	0	1	1	1	0	0	3.582	-0.35800001	-3.4716799	0.0109	3.2725534	3.4786439	-88505.227	-19691.109	-655666.63	-64337.727	-124.02571	33.261021	-10.87649	-9.0820999	10.87649	9.0820999	0.70187002	0.91035998	7.0486565	2.0058291	0	0	1	1	0.54197603	0.47846073	0.76507992	0.52153927	19	5	1	1	4	1	1	0	0	0	0	0	0	0	1.578668	0.59509587	-1.578668	-0.59509587	0.169572	0.27933121	0.19891214	0.58952528	98.274422	33.491833	4.2653861	29.767698	0	4.2653861	0	8.6190128	12.263453	0	14.708499	0	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	5.6825762	16.070677	0	2.503756	0.13689101	0.78448415	0.92899919	0.47116494	0.071000807	0.10538135	0.071000807	0.21551585	0.071000807	0.52883506	0.92899919	0.1101345	0	192.12025	76.143929	115.38834	5.8194671	25.807903	5.8194671	52.779854	5.8194671	129.51176	76.143929	26.971952	0	0.42857143	0	0.75	0	3.6450274	3.8609829	-82636.43	-17086.086	-653627.19	-60529.672	-158.23212	31.31319	-10.78035	-9.4672604	10.78035	9.4672604	-0.15042999	0.69608998	2210.6523	105.99528	1038.6576	50.714577	1466.22	55.280697	1916.4272	105.99528	1121.4878	50.734287	776.37323	55.26099	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	81.963394	0	0	0	0	0	0	244.9001	81.963394	0	0	4	2	1	0	2.7981894	1.2477762	4	1	0	0	0	0	0.1	0.80000001	2.3949001	0.40970001	0	0	7.7454643	16.78553	81.819725	16.78553	0	0	17.643185	0	0	0	0	0	0	51.214245	75.473625	0	99.978043	0	6.8046999	1.85877	73.293228	0	0	16.78553	17.643185	16.78553	8.5265026	0	0	0	75.473625	51.214245	7.7454643	0	99.978043	0	2.4099162	1.3087431	1.8617485	1.0756633	1.1251426	0	53.990002	28.68	0.51481563	0.9709506	5.523562	3.321928	2.5399911	1	8.4195395	4.2402239	244.9001	81.963394	367.00107	93.124855	263.25	70.5	281.14902	91.289032	30.537619	0	0	0	0	0	0	0	160.29349	40.59901	33.029301	24.790518	30.537619	11.365152	5.3953252	3.197526	0.23970899	0.2776916	2.6517773	3.247875	1.7756623	2.2293131	0.80558389	0.98336595	0.39811906	0.48049399	0.18423676	0.22297527	0.050205711	0.065832444	0.004379716	0	0	0	578.125	281	340.375	154.5	271.25	117.25	245	110.25	218.5	99	157.125	77.375	79.625	36.75	31.75	10	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	1	0.70710677	1.118034	0.70710677	0.5	-2.2570698	-1.833463	-2.2559736	-1.8195121	-2.2545061	-1.8134745	-5.4111814	-4.6464796	-5.3114209	-4.6398911	-5.095974	-4.6326809	1.2020918	1.0911651	230.75	128.5	274.625	138.375	173.75	68.75	66.125	24.625	24.25	10.375	5.75	3.25	0.5	0	0	0	0.089400925	0.1108742	0.023469388	0.029478459	1.1877036	0.50718778	1.0598711	0.43908557	1.0759208	0.58309865	1.2929488	0.65768379	1.5141792	0.73102587	1.8226515	0.73558426	1.5276124	0.46677986	1.2021793	0.55526888	0.81477576	0.49369222	2.2796693	1.1249948	3.7727251	1.5959572	4.1858115	2.0480065	4.3511286	2.6842232	4.5800614	4.0916934	5.3393946	0	0	0	1.4401109	1.1261917	407.4339	186.35815	586.75	209.875	831.625	492.75	411	247.875	177.75	103	66.125	35.125	24.25	13	5.75	3.25	0.5	0	0	0	600.875	364.25	136.375	109.5	4	34.25	0	10.5	0	2.625	0	0	0	0	0	0	282.336	68.079002	627	15	48	0	122	20
Artemisinin	Isoniazid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(NN)c1ccncc1	3.8050928	4.3288288	-88182.25	-41607.902	-667016.75	-182204.78	-154.65057	29.377729	-10.56012	-10.24954	10.56012	10.24954	0.87564999	-0.41530001	45.079445	19.329552	456.67719	318.70129	0	0	0	0	456.67719	318.70129	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	17	0	2	4	5	20	10	12	5	58.156837	29.570721	1.3846866	1.7394542	0	0	0	0	15	6	0	0	0	0	22	7	0	0	0	3	5	1	0	0	0	0	1.8182865	2.2869501	-2.8763011	-2.2516565	-0.46847317	-0.59928	0.48142555	0.67991859	2.9546874	2.1991467	-2.9138391	-2.6704078	-0.40296918	-0.54446679	0.52481794	0.73414969	2.9398463	2.1945684	-2.6583734	-1.9209177	-0.33618459	-0.46242476	0.60764611	0.80245376	3.1623287	2.5083113	30.756554	8.6104488	0	1	0	0.1	0	6	45	17	1	1	23	10	3	3	0	2	0	0.2	44	10	0	0	0	0	0	0	14.120955	7.3973413	12.25642	5.2422132	10.215178	3.309401	10.292529	3.9831276	9.4617796	4.842535	7.713058	2.7532139	6.0543661	1.4940169	6.0990243	2.1498299	7	0	7	0	0	0	0	0	1.0725014	1.0641474	0.76930565	0.78121865	7	6	0	0	0	0	0	0	0	0	67.720932	43.375248	15.392588	2.130053	-3.2059937	35.948433	10.423069	41.471519	0.004222634	-10.304976	0	0	2.59E+12	2.06E+08	-9.7782021	-0.009315009	2.59E+12	2.06E+08	-3.9392874	-26.159121	0	0	8.5961571	5.5175958	13.212008	16.720592	33.304897	4.5610571	13.629063	5.5230861	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.86423731	-0.38651478	-0.43624857	-0.01928976	0.11955809	3.1303203	1.9694644	-0.89714968	-1.4448886	-0.31035468	-0.39443958	-0.002505066	0.16712771	3.1423492	1.9846371	-0.53425395	-0.47260335	-0.21040775	-0.22829315	0.10722204	0.19023669	3.3267074	2.253619	0.21797732	0.022292467	6.1551886	5.2667994	6.7819748	8.1113396	6.7819748	2.0944679	0.72404015	-0.3873015	0.72404015	-0.38424954	-2.328289	-0.74419975	0	0	0.95388722	4.3521113	7.165029	3.8072419	0	0.007108038	14	14	14	9.1451521	1	1.0431478	0	0.004252694	13.648394	8.1000004	4.2631578	4	1.6952908	2.2857144	13.022482	5.1775813	4.0571489	2.4106653	1.6103241	1.3116715	2.6417074	1.2481415	5	4	0	3	1	1	0	0	3.582	-0.79699999	-3.4716799	-0.35879001	3.2725534	2.2388115	-88505.227	-41710.605	-655666.63	-181740.73	-124.02571	18.944269	-10.87649	-9.9996901	10.87649	9.9996901	0.70187002	-0.54955	7.0486565	3.7315934	0	1	1	1	0.54197603	0.18621947	0.76507992	0.83174908	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1285032	-1.578668	-1.1285032	0.169572	0.23562644	0.19891214	0.25661445	98.274422	35.700371	4.2653861	17.061544	0	17.238026	0	8.6190128	12.263453	0	14.708499	12.949531	0	0	44.851616	24.509808	37.495354	0	0	0	7.2334704	0	7.2334704	10.389583	16.070677	23.124851	2.503756	0	0.78448415	0.68939692	0.47116494	0.38788143	0.10538135	0.22403786	0.21551585	0.31060311	0.52883506	0.61211854	0.1101345	0.086565241	192.12025	103.12876	115.38834	58.024242	25.807903	33.514435	52.779854	46.463966	129.51176	91.568481	26.971952	12.949531	0.42857143	0.5	0.75	1	3.6450274	1.3151798	-82636.43	-36847.379	-653627.19	-175418.7	-158.23212	19.43132	-10.78035	-9.96807	10.78035	9.96807	-0.15042999	-0.83860999	2210.6523	768.64191	1038.6576	141.86156	1466.22	633.62451	1916.4272	761.79773	1121.4878	609.65509	776.37323	147.64558	312.79126	11.341253	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	149.59273	0	0	0	0	0	0	244.9001	149.59273	0	0	4	3	1	1	2.7981894	2.3674281	4	1	0	0	0	0	0.1	0.30000001	2.3949001	-0.31490001	0	50.662895	7.7454643	22.044313	81.819725	0	0	0	17.643185	27.047791	0	0	0	0	0	69.71508	75.473625	0	99.978043	0	6.8046999	3.5890601	73.293228	23.862217	0	16.78553	17.643185	17.888229	8.5265026	3.185575	0	32.774666	75.473625	69.71508	7.7454643	5.2587838	99.978043	0	2.4099162	2.3598855	1.8617485	1.2912649	1.1251426	0.35234651	53.990002	68.010002	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.3375406	8.4195395	6.3134742	244.9001	149.59273	367.00107	175.5488	263.25	128.875	281.14902	160.00748	30.537619	19.249496	0	0	0	0	0	9.4210396	160.29349	74.424538	33.029301	12.949531	30.537619	50.151489	5.3953252	2.5122521	0.23970899	0.082762249	2.6517773	3.2205844	1.7756623	2.7664964	0.80558389	1.9668849	0.39811906	0.99952257	0.18423676	0.43346712	0.050205711	0.1593875	0.004379716	0.064299941	0	0.036581974	578.125	329.875	340.375	188.75	271.25	134.75	245	109	218.5	91.625	157.125	72.75	79.625	47.375	31.75	28.25	7.228416	6.5383482	7.1763501	6.5954528	0.5	0.5	0.70710677	0.70710677	0.70710677	0.5	0.70710677	0.5	-2.2570698	-2.1163342	-2.2559736	-2.0904987	-2.2545061	-2.0820544	-5.4111814	-8.0607738	-5.3114209	-7.7726417	-5.095974	-7.6803198	1.2020918	1.1729884	230.75	211	274.625	273	173.75	198.625	66.125	80.875	24.25	35.875	5.75	14.25	0.5	5.375	0	2.75	0.089400925	0.3153989	0.023469388	0.13073395	1.1877036	1.0909206	1.0598711	1.0429772	1.0759208	1.1657706	1.2929488	1.3530264	1.5141792	1.4251283	1.8226515	1.328652	1.5276124	1.0484911	1.2021793	0.52225083	0.81477576	0.31178841	2.2796693	0.67913949	3.7727251	1.1230075	4.1858115	1.3967448	4.3511286	1.435757	4.5800614	2.9091508	5.3393946	5.0402374	0	4.9509525	1.4401109	1.2275344	407.4339	275.04321	586.75	337.625	831.625	840.5	411	561.375	177.75	303.625	66.125	111	24.25	42.5	5.75	14.25	0.5	5.375	0	2.75	600.875	629.5	136.375	288.375	4	105	0	30.125	0	6.625	0	0	0	0	0	0	282.336	137.142	627	121	48	11	122	44
Artemisinin	Maleic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)/C=C\C(=O)O	3.8050928	2.7231987	-88182.25	-42646.242	-667016.75	-147908.5	-154.65057	-162.71025	-10.56012	-11.622	10.56012	11.622	0.87564999	-0.76275998	45.079445	12.915172	456.67719	266.12076	0	0	0	0	456.67719	266.12076	0	0	0	0	0	0	1	2	1	2	4	4	0	0	0	0	0	0	42	12	0	4	4	8	20	8	12	2	58.156837	19.01955	1.3846866	1.5849625	0	0	0	0	15	4	0	0	0	0	22	4	0	0	0	0	5	4	0	0	0	0	1.8182865	3.01139	-2.8763011	-2.0091348	-0.46847317	-0.60566598	0.48142555	0.57764304	2.9546874	2.1177361	-2.9138391	-2.1234715	-0.40296918	-0.56604773	0.52481794	0.561396	2.9398463	2.0407834	-2.6583734	-1.7405318	-0.33618459	-0.40947881	0.60764611	0.71113151	3.1623287	2.382458	30.756554	6.2888279	0	2	0	0.2857143	0	0	45	11	1	3	23	7	3	1	0	2	0	0.2857143	44	8	0	0	0	0	0	0	14.120955	6.5689139	12.25642	3.8656244	10.215178	2.1547005	10.292529	2.5689142	9.4617796	3.6258976	7.713058	1.7661455	6.0543661	0.91068363	6.0990243	1.3164966	7	0	7	0	0	0	0	0	1.0725014	1.2447399	0.76930565	0.9277361	7	5	0	0	0	0	0	0	0	0	67.720932	-10.46367	15.392588	5.8937082	-3.2059937	-51.785526	10.423069	-50.140453	0.004222634	0.000234184	0	0	2.59E+12	1.24E+09	-9.7782021	-6.6262279	2.59E+12	1.24E+09	-3.9392874	-19.512136	0	0	8.5961571	1.2929201	13.212008	28.674879	33.304897	32.489922	13.629063	1.6450738	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.69823492	-0.38651478	-0.49323711	-0.01928976	0.14313577	3.1303203	1.6859769	-0.89714968	-0.87643945	-0.31035468	-0.45795456	-0.002505066	0.10976067	3.1423492	1.6225802	-0.53425395	-0.40565348	-0.21040775	-0.25004312	0.10722204	0.24794392	3.3267074	1.9330758	0.21797732	0.14836128	6.1551886	4.4198661	6.7819748	7.8035707	6.7819748	2.0023739	0.72404015	-0.62778115	0.72404015	-0.20034125	-2.328289	-0.27674231	0	0	0.95388722	3.0383604	7.165029	2.6062317	0	-1.9896269	14	3.8796387	14	14	1	1.0594369	0	7.0078869	13.648394	8	4.2631578	3.9375	1.6952908	7.1999998	13.022482	5.4933701	4.0571489	2.5346303	1.6103241	4.3750858	2.6417074	1.7404579	5	4	0	2	1	1	0	0	3.582	-0.056000002	-3.4716799	-0.088040002	3.2725534	2.8505776	-88505.227	-42829.023	-655666.63	-146923.63	-124.02571	-164.36095	-10.87649	-11.32461	10.87649	11.32461	0.70187002	-0.4032	7.0486565	2.4818311	0	0	1	1	0.54197603	0.37207538	0.76507992	0.96754718	19	1	1	1	4	0	1	2	0	0	0	0	0	0	1.578668	1.1760144	-1.578668	-1.1760144	0.169572	0.24165575	0.19891214	0.27884647	98.274422	24.509808	4.2653861	8.5307722	0	0	0	0	12.263453	20.648346	14.708499	29.416998	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	15.535081	0.78448415	0.26269624	0.47116494	0.33924845	0.10538135	0.33924845	0.21551585	0.73730373	0.52883506	0.66075152	0.1101345	0.39805529	192.12025	33.040581	115.38834	42.668922	25.807903	42.668922	52.779854	92.734268	129.51176	83.105927	26.971952	50.065342	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.8167887	-82636.43	-39447.578	-653627.19	-144072.03	-158.23212	-161.74969	-10.78035	-11.47064	10.78035	11.47064	-0.15042999	-0.72680998	2210.6523	418.47797	1038.6576	133.10295	1466.22	346.1218	1916.4272	357.73117	1121.4878	134.59837	776.37323	220.5448	312.79126	63.334785	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	125.77485	0	0	0	0	0	0	244.9001	125.77485	0	0	4	3	1	0	2.7981894	1.8987709	4	0	0	0	0	0	0.1	0	2.3949001	-0.28819999	0	0	7.7454643	15.490929	81.819725	47.724434	0	50.770454	17.643185	0	0	0	0	0	0	35.286369	75.473625	0	99.978043	0	6.8046999	2.44116	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	0	0	0	75.473625	35.286369	7.7454643	15.490929	99.978043	0	2.4099162	1.6721318	1.8617485	1.1964595	1.1251426	0.64406657	53.990002	74.599998	0.51481563	0.75787848	5.523562	3.8073549	2.5399911	2.2623148	8.4195395	5.6119804	244.9001	125.77485	367.00107	125.11316	263.25	93.25	281.14902	121.73491	30.537619	0	0	0	0	0	0	0	160.29349	31.616989	33.029301	29.416998	30.537619	54.267685	5.3953252	2.3146245	0.23970899	0.042296134	2.6517773	3.2438476	1.7756623	2.7665446	0.80558389	1.9203681	0.39811906	1.2226467	0.18423676	0.70667839	0.050205711	0.32171771	0.004379716	0.07714361	0	0.017725756	578.125	205.75	340.375	111	271.25	82	245	69.375	218.5	55.125	157.125	43.625	79.625	15.875	31.75	1.75	7.228416	7.2456884	7.1763501	7.1763501	0.5	0.70710677	0.70710677	0.70710677	0.70710677	1.2247449	0.70710677	0.70710677	-2.2570698	-1.7033405	-2.2559736	-1.6499028	-2.2545061	-1.6478089	-5.4111814	-6.7091327	-5.3114209	-6.6769662	-5.095974	-6.6558499	1.2020918	1.1652008	230.75	267.75	274.625	349.25	173.75	251.125	66.125	120.375	24.25	56	5.75	22.5	0.5	5.125	0	0.875	0.089400925	0.70731705	0.023469388	0.32432431	1.1877036	1.3509612	1.0598711	1.2039012	1.0759208	1.3786821	1.2929488	1.542799	1.5141792	1.8221059	1.8226515	1.9215558	1.5276124	1.6153752	1.2021793	2.2285838	0.81477576	0.37515631	2.2796693	0.7143901	3.7727251	0.93674666	4.1858115	1.066237	4.3511286	0.95205158	4.5800614	1.2844774	5.3393946	2.3697951	0	3.3953521	1.4401109	1.1461308	407.4339	235.02989	586.75	269.375	831.625	697.625	411	480.625	177.75	280.5	66.125	128.625	24.25	58	5.75	22.5	0.5	5.125	0	0.875	600.875	429.875	136.375	131.375	4	29.375	0	8.25	0	2	0	0	0	0	0	0	282.336	116.072	627	74	48	5	122	30
Artemisinin	Malonic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)CC(=O)O	3.8050928	1.2689862	-88182.25	-39714.973	-667016.75	-129520.61	-154.65057	-188.41377	-10.56012	-11.91314	10.56012	11.91314	0.87564999	0.24281999	45.079445	11.155172	456.67719	245.35732	0	0	0	0	456.67719	245.35732	0	0	0	0	0	0	1	2	1	2	4	4	0	0	0	0	0	0	42	11	0	4	4	8	20	7	12	1	58.156837	17.298861	1.3846866	1.5726236	0	0	0	0	15	3	0	0	0	0	22	4	0	0	0	0	5	4	0	0	0	0	1.8182865	3.0375342	-2.8763011	-2.16061	-0.46847317	-0.53083003	0.48142555	0.48023891	2.9546874	2.3606646	-2.9138391	-2.3243861	-0.40296918	-0.50599307	0.52481794	0.40932727	2.9398463	2.2193244	-2.6583734	-1.9712886	-0.33618459	-0.31739259	0.60764611	0.6098839	3.1623287	2.5444422	30.756554	6.2888279	0	2	0	0.33333334	0	0	45	10	1	2	23	6	3	2	0	2	0	0.33333334	44	8	0	0	0	0	0	0	14.120955	5.8618073	12.25642	3.4180305	10.215178	1.7071068	10.292529	1.8618073	9.4617796	3.1258976	7.713058	1.5625687	6.0543661	0.70710677	6.0990243	0.81649661	7	0	7	0	0	0	0	0	1.0725014	1.2967103	0.76930565	0.97631305	7	4	0	0	0	0	0	0	0	0	67.720932	-50.255436	15.392588	3.6557622	-3.2059937	-77.196297	10.423069	-77.066574	0.004222634	1.30E-05	0	0	2.59E+12	4.59E+09	-9.7782021	-4.0062556	2.59E+12	4.59E+09	-3.9392874	-17.707176	0	0	8.5961571	1.6557921	13.212008	13.612113	33.304897	21.499571	13.629063	0.12972511	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.70660466	-0.38651478	-0.48965633	-0.01928976	0.12013431	3.1303203	1.7331414	-0.89714968	-0.87762904	-0.31035468	-0.46636668	-0.002505066	0.043460492	3.1423492	1.6079042	-0.53425395	-0.45086607	-0.21040775	-0.24348547	0.10722204	0.22437674	3.3267074	1.9254708	0.21797732	0.2545504	6.1551886	4.2460394	6.7819748	8.0444756	6.7819748	2.0263395	0.72404015	-1.131312	0.72404015	-0.79350692	-2.328289	0.2328601	0	0	0.95388722	1.9093734	7.165029	2.1700871	0	-1.9918512	14	3.1410925	14	11.371408	1	1.0484535	0	8.1648455	13.648394	7	4.2631578	3.0612245	1.6952908	6	13.022482	5.184	4.0571489	2.1335511	1.6103241	3.9015	2.6417074	1.5800469	5	4	0	2	1	1	0	0	3.582	-0.61199999	-3.4716799	0.53586	3.2725534	0.84115636	-88505.227	-39899.691	-655666.63	-129463.15	-124.02571	-184.73048	-10.87649	-11.78956	10.87649	11.78956	0.70187002	0.30978	7.0486565	2.0533721	0	0	1	1	0.54197603	0.32718304	0.76507992	0.80644768	19	0	1	1	4	0	1	2	0	0	0	0	0	0	1.578668	1.1910174	-1.578668	-1.1910174	0.169572	0.22605932	0.19891214	0.27782091	98.274422	8.5307722	4.2653861	0	0	8.701313	0	0	12.263453	20.648346	14.708499	29.416998	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	15.535081	0.78448415	0.15670325	0.47116494	0.38801798	0.10538135	0.38801798	0.21551585	0.84329677	0.52883506	0.61198199	0.1101345	0.45527875	192.12025	17.232086	115.38834	42.668922	25.807903	42.668922	52.779854	92.734268	129.51176	67.297432	26.971952	50.065342	0.42857143	0.5	0.75	1	3.6450274	1.1374748	-82636.43	-36735.84	-653627.19	-126493.36	-158.23212	-185.92688	-10.78035	-11.69015	10.78035	11.69015	-0.15042999	0.26894	2210.6523	345.87677	1038.6576	106.07742	1466.22	261.46185	1916.4272	324.21429	1121.4878	166.33391	776.37323	96.118111	312.79126	83.424767	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	109.96635	0	0	0	0	0	0	244.9001	109.96635	0	0	4	2	1	0	2.7981894	1.8231261	4	0	0	0	0	0	0.1	0	2.3949001	-0.45429999	0	0	7.7454643	15.490929	81.819725	47.724434	0	50.770454	17.643185	0	0	0	0	0	0	0	75.473625	18.868406	99.978043	0	6.8046999	1.98886	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	0	0	0	75.473625	18.868406	7.7454643	15.490929	99.978043	0	2.4099162	1.629336	1.8617485	0.83002102	1.1251426	0.82204866	53.990002	74.599998	0.51481563	0.80309099	5.523562	3.5849626	2.5399911	1.956067	8.4195395	5.2303886	244.9001	109.96635	367.00107	106.58569	263.25	80.25	281.14902	110.59748	30.537619	0	0	0	0	0	0	0	160.29349	15.808495	33.029301	29.416998	30.537619	54.267685	5.3953252	0.92909521	0.23970899	0.041145988	2.6517773	3.3050816	1.7756623	2.900178	0.80558389	2.0393646	0.39811906	1.2307571	0.18423676	0.71247065	0.050205711	0.38401473	0.004379716	0.16017027	0	0.079496033	578.125	191.625	340.375	104.125	271.25	73.75	245	62.25	218.5	49.625	157.125	40.625	79.625	21	31.75	6	7.228416	0.5	7.1763501	0.5	0.5	1	0.70710677	6.8007355	0.70710677	0.5	0.70710677	6.8190908	-2.2570698	-2.0839128	-2.2559736	-2.0804048	-2.2545061	-2.0238416	-5.4111814	-8.3950958	-5.3114209	-8.1424723	-5.095974	-8.1106319	1.2020918	1.15456	230.75	270.125	274.625	344.25	173.75	241.625	66.125	114.75	24.25	58.75	5.75	28.375	0.5	11.375	0	5.125	0.089400925	0.82033896	0.023469388	0.45783132	1.1877036	0.67591465	1.0598711	0.56394631	1.0759208	0.54424459	1.2929488	0.70598191	1.5141792	0.95978814	1.8226515	1.0092148	1.5276124	0.71407312	1.2021793	1.7469132	0.81477576	0.29791325	2.2796693	0.47382259	3.7727251	0.56629837	4.1858115	0.47291258	4.3511286	0.3872616	4.5800614	0.20386687	5.3393946	0.2519072	0	0.51596683	1.4401109	1.1237378	407.4339	219.80215	586.75	247	831.625	664.625	411	462.125	177.75	270.375	66.125	122.125	24.25	60.5	5.75	28.5	0.5	11.375	0	5.125	600.875	394.5	136.375	117.875	4	28.75	0	7.375	0	1.75	0	0.125	0	0	0	0	282.336	104.061	627	48	48	4	122	26
Artemisinin	Melamine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Nc1nc(N)nc(N)n1	3.8050928	0.7511844	-88182.25	-39379.855	-667016.75	-165527.05	-154.65057	64.370117	-10.56012	-9.5423098	10.56012	9.5423098	0.87564999	0.49237001	45.079445	15.880758	456.67719	292.01462	0	0	0	0	456.67719	292.01462	0	0	0	1	0	0	1	0	1	1	4	3	0	0	0	6	0	0	42	15	0	3	4	6	20	9	12	0	58.156837	22.828922	1.3846866	1.5219281	0	0	0	0	15	3	0	0	0	0	22	6	0	0	0	6	5	0	0	0	0	0	1.8182865	2.4033213	-2.8763011	-2.1510963	-0.46847317	-0.67701417	0.48142555	0.65195948	2.9546874	2.1030195	-2.9138391	-2.4134581	-0.40296918	-0.73644453	0.52481794	0.69835293	2.9398463	2.0705743	-2.6583734	-1.8282225	-0.33618459	-0.39143893	0.60764611	0.88700598	3.1623287	2.4126093	30.756554	8.5392418	0	0	0	0	0	6	45	15	1	0	23	9	3	2	0	0	0	0	44	9	0	0	0	0	0	0	14.120955	6.8533711	12.25642	4.5736914	10.215178	1.5	10.292529	1.7320508	9.4617796	4.1815405	7.713058	2.2076662	6.0543661	0	6.0990243	0	7	0	7	0	0	0	0	0	1.0725014	1.162424	0.76930565	0.86588871	7	4	0	0	0	0	0	0	0	0	67.720932	-225.43564	15.392588	1.151528	-3.2059937	-253.752	10.423069	-249.82021	0.004222634	4.54E-15	0	0	2.59E+12	4.17E+10	-9.7782021	0.91397935	2.59E+12	4.17E+10	-3.9392874	-16.266081	0	0	8.5961571	8.1598806	13.212008	20.141422	33.304897	15.073166	13.629063	3.9317887	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76603639	-0.38651478	-0.5618543	-0.01928976	0.10455568	3.1303203	1.847701	-0.89714968	-1.3405108	-0.31035468	-0.63605601	-0.002505066	0.23217617	3.1423492	1.8528662	-0.53425395	-0.41105852	-0.21040775	-0.23164465	0.10722204	0.30417177	3.3267074	2.1348441	0.21797732	0	6.1551886	8.7879457	6.7819748	11.53808	6.7819748	0	0.72404015	-2.8893604	0.72404015	-2.8893604	-2.328289	0.63776493	0	0	0.95388722	3.8788273	7.165029	3.3660631	0	0	14	14	14	14	1	1	0	0	13.648394	7.1111112	4.2631578	2.7222223	1.6952908	2	13.022482	4.0693736	4.0571489	1.4300345	1.6103241	0.96415818	2.6417074	0.64659393	5	6	0	6	1	1	0	1	3.582	-2.441	-3.4716799	-1.4180599	3.2725534	1.1845362	-88505.227	-39493.34	-655666.63	-166743.09	-124.02571	21.547991	-10.87649	-10.14566	10.87649	10.14566	0.70187002	0.068700001	7.0486565	2.891067	0	1	1	1	0.54197603	0.49979153	0.76507992	0.5002085	19	6	1	1	4	1	1	0	0	1	0	0	0	0	1.578668	1.3734393	-1.578668	-1.3734393	0.169572	0.14868568	0.19891214	0.19688071	98.274422	0	4.2653861	0	0	51.714077	0	0	12.263453	47.044724	14.708499	0	0	0	44.851616	0	37.495354	0	0	0	7.2334704	17.047728	7.2334704	0	16.070677	19.953358	2.503756	0	0.78448415	0.50649577	0.47116494	0.27254802	0.10538135	0.14697535	0.21551585	0.49350426	0.52883506	0.72745198	0.1101345	0.34652889	192.12025	68.761803	115.38834	37.001087	25.807903	19.953358	52.779854	66.998077	129.51176	98.758804	26.971952	47.044724	0.42857143	0.25	0.75	0.33333334	3.6450274	0.82798672	-82636.43	-32790.434	-653627.19	-156640.56	-158.23212	24.789909	-10.78035	-9.2181902	10.78035	9.2181902	-0.15042999	0.026939999	2210.6523	523.38757	1038.6576	261.58469	1466.22	261.80289	1916.4272	523.38757	1121.4878	261.58472	776.37323	261.80286	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	135.75989	0	0	0	0	0	0	244.9001	135.75989	0	0	4	3	1	0	2.7981894	2.0371103	4	1	0	0	0	0	0.1	0.66666669	2.3949001	-1.3818001	0	98.691559	7.7454643	50.35659	81.819725	0	0	0	17.643185	0	0	0	0	0	0	0	75.473625	0	99.978043	5.6972785	6.8046999	3.3064201	73.293228	0	0	50.35659	17.643185	0	8.5265026	0	0	5.6972785	75.473625	98.691559	7.7454643	0	99.978043	0	2.4099162	1.8287014	1.8617485	1.8244159	1.1251426	0	53.990002	116.73	0.51481563	0.7642045	5.523562	4.1699252	2.5399911	1.9591479	8.4195395	6.0257225	244.9001	135.75989	367.00107	145.65729	263.25	108.5	281.14902	142.62601	30.537619	17.047728	0	0	0	0	0	53.22747	160.29349	0	33.029301	47.044724	30.537619	70.2752	5.3953252	0.082795821	0.23970899	0.050884537	2.6517773	3.3505182	1.7756623	3.0578492	0.80558389	2.3387749	0.39811906	1.2875952	0.18423676	0.8855328	0.050205711	0.58690351	0.004379716	0.36429363	0	0.17862041	578.125	315.875	340.375	185.25	271.25	131.625	245	106	218.5	85.625	157.125	72.25	79.625	58.125	31.75	36.25	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	7.0710678	0.70710677	0.5	0.70710677	7.0887237	-2.2570698	-2.5666945	-2.2559736	-2.5199873	-2.2545061	-2.500298	-5.4111814	-7.2852664	-5.3114209	-7.1891203	-5.095974	-7.1832895	1.2020918	1.1707969	230.75	96.375	274.625	110.375	173.75	136.25	66.125	94.375	24.25	73.375	5.75	53.5	0.5	28.5	0	12.125	0.089400925	0.74643874	0.023469388	0.5389151	1.1877036	0.03778461	1.0598711	0.080983147	1.0759208	0.073754266	1.2929488	0.16059235	1.5141792	0.19044177	1.8226515	0.4252196	1.5276124	0.48814297	1.2021793	0.26079541	0.81477576	0.021674061	2.2796693	0.019830886	3.7727251	0.033868428	4.1858115	0.03963488	4.3511286	0.044541046	4.5800614	0.089790963	5.3393946	0.10221995	0	0.11064832	1.4401109	1.1801988	407.4339	252.81758	586.75	298.375	831.625	873.625	411	620.625	177.75	376.75	66.125	174.75	24.25	98.25	5.75	57.125	0.5	28.5	0	12.125	600.875	777.25	136.375	510.25	4	240.5	0	80.375	0	24.875	0	3.625	0	0	0	0	282.336	126.123	627	84	48	9	122	42
Artemisinin	N-(Pyridin-2-yl)adamantane-1-carboxamide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(Nc1ncccc1)C12CC3CC(C1)CC(C2)C3	3.8050928	4.2157369	-88182.25	-70546.18	-667016.75	-504326.72	-154.65057	-26.15167	-10.56012	-8.9837904	10.56012	8.9837904	0.87564999	0.11036	45.079445	44.49786	456.67719	475.73642	0	0	0	0	456.67719	475.73642	0	0	0	0	0	0	1	1	1	1	4	2	0	0	0	6	0	0	42	39	0	1	4	3	20	19	12	14	58.156837	53.692123	1.3846866	1.3767211	0	0	0	0	15	16	0	0	0	0	22	20	0	0	0	2	5	1	0	0	0	0	1.8182865	1.4528108	-2.8763011	-2.989825	-0.46847317	-0.56940895	0.48142555	0.62254965	2.9546874	2.9545615	-2.9138391	-2.9026544	-0.40296918	-0.48014063	0.52481794	0.69181752	2.9398463	3.0480499	-2.6583734	-2.7394447	-0.33618459	-0.43480673	0.60764611	0.75186223	3.1623287	3.2055385	30.756554	24.802139	0	2	0	0.090909094	0	6	45	42	1	1	23	22	3	2	0	3	0	0.13636364	44	35	0	0	0	0	0	0	14.120955	12.872033	12.25642	11.139554	10.215178	9.7840929	10.292529	10.457819	9.4617796	9.2339134	7.713058	7.4594998	6.0543661	6.2735701	6.0990243	6.931818	7	0	7	0	0	0	0	0	1.0725014	0.99553007	0.76930565	0.70368898	7	9	0	0	0	0	0	0	0	0	67.720932	27.67804	15.392588	5.3053255	-3.2059937	-24.344086	10.423069	8.3876047	0.004222634	0.000394051	0	0	2.59E+12	5.74E+09	-9.7782021	-1.3636476	2.59E+12	5.74E+09	-3.9392874	-19.691401	0	0	8.5961571	5.315609	13.212008	34.329613	33.304897	8.6691065	13.629063	32.731689	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.7968955	-0.38651478	-0.38664061	-0.01928976	0.056178242	3.1303203	2.9735236	-0.89714968	-1.0005068	-0.31035468	-0.29628158	-0.002505066	0.14403875	3.1423492	3.0551217	-0.53425395	-0.52630413	-0.21040775	-0.22665906	0.10722204	0.16199242	3.3267074	3.2043691	0.21797732	0.10804168	6.1551886	3.889431	6.7819748	6.3536463	6.7819748	3.5234411	0.72404015	3.4307439	0.72404015	3.4323182	-2.328289	-3.7824864	0	0	0.95388722	4.2917123	7.165029	7.5015678	0	0.003684009	14	14	14	9.4320765	1	1.0246197	0	0.002200332	13.648394	12.719008	4.2631578	4.7768593	1.6952908	2.2755556	13.022482	10.217064	4.0571489	3.7870491	1.6103241	1.7855695	2.6417074	2.0364485	5	3	0	1	1	1	0	0	3.582	2.4890001	-3.4716799	-4.0379601	3.2725534	3.8659577	-88505.227	-70697.914	-655666.63	-499727.06	-124.02571	-10.8978	-10.87649	-8.9344397	10.87649	8.9344397	0.70187002	0.044050001	7.0486565	7.4474092	0	0	1	1	0.54197603	0.16094571	0.76507992	0.94871837	19	18	1	1	4	4	1	2	0	0	0	0	0	0	1.578668	1.3089627	-1.578668	-1.3089627	0.169572	0.17762905	0.19891214	0.23724607	98.274422	80.726707	4.2653861	17.061544	0	11.190562	0	8.6190128	12.263453	12.949531	14.708499	0	0	0	44.851616	76.71769	37.495354	12.254904	0	0	7.2334704	0	7.2334704	5.6825762	16.070677	13.566921	2.503756	0.13689101	0.78448415	0.86465025	0.47116494	0.45356259	0.10538135	0.081146397	0.21551585	0.13534978	0.52883506	0.54643738	0.1101345	0.05420338	192.12025	206.57042	115.38834	108.35898	25.807903	19.386389	52.779854	32.335918	129.51176	130.54736	26.971952	12.949531	0.42857143	0.44444445	0.75	0.80000001	3.6450274	4.0427895	-82636.43	-65103.887	-653627.19	-493527.63	-158.23212	-30.338579	-10.78035	-8.8560696	10.78035	8.8560696	-0.15042999	-0.020409999	2210.6523	2893.6189	1038.6576	441.50687	1466.22	2602.5276	1916.4272	2743.2036	1121.4878	824.40881	776.37323	339.1337	312.79126	1730.0764	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	238.90634	0	0	0	0	0	0	244.9001	238.90634	0	0	4	5	1	0	2.7981894	3.3597338	4	4	0	0	0	0	0.1	0.2631579	2.3949001	3.2365	0	0	7.7454643	40.055065	81.819725	23.862217	0	0	17.643185	13.232388	0	0	0	0	0	70.143913	75.473625	113.21043	99.978043	2.3279202	6.8046999	7.3471699	73.293228	23.862217	0	16.78553	17.643185	13.232388	8.5265026	0	0	20.338671	75.473625	183.35434	7.7454643	5.2587838	99.978043	0	2.4099162	3.2870603	1.8617485	1.3513447	1.1251426	1.0804467	53.990002	41.990002	0.51481563	0.53475124	5.523562	5.4594316	2.5399911	2.98686	8.4195395	8.1946001	244.9001	238.90634	367.00107	364.29303	263.25	257.5	281.14902	276.97519	30.537619	19.249496	0	0	0	0	0	5.6825762	160.29349	169.20158	33.029301	24.140093	30.537619	24.932074	5.3953252	3.3351874	0.23970899	0.26381651	2.6517773	2.6284771	1.7756623	1.8234445	0.80558389	0.70606214	0.39811906	0.30406818	0.18423676	0.16902508	0.050205711	0.074301355	0.004379716	0.016677352	0	0	578.125	748.75	340.375	421.25	271.25	324.25	245	297.5	218.5	272.125	157.125	238.875	79.625	120.125	31.75	41.25	7.228416	6	7.1763501	0.5	0.5	6.0207973	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.5244644	-2.2559736	-2.507359	-2.2545061	-2.4963131	-5.4111814	-5.9298558	-5.3114209	-5.7132525	-5.095974	-5.6937423	1.2020918	1.2287027	230.75	160.25	274.625	164.25	173.75	108.375	66.125	47.375	24.25	21.375	5.75	8.375	0.5	2.125	0	0	0.089400925	0.077872016	0.023469388	0.028991597	1.1877036	0.48358494	1.0598711	0.5134353	1.0759208	0.49514881	1.2929488	0.48410481	1.5141792	0.49756378	1.8226515	0.5161432	1.5276124	0.46130979	1.2021793	1.4928242	0.81477576	0.44972074	2.2796693	0.80505031	3.7727251	1.9182618	4.1858115	2.5979347	4.3511286	3.0633614	4.5800614	3.8016558	5.3393946	4.614799	0	0	1.4401109	1.4175727	407.4339	421.58331	586.75	597.625	831.625	887.375	411	394.875	177.75	156.625	66.125	57.5	24.25	25.25	5.75	8.625	0.5	2.125	0	0	600.875	727.125	136.375	230.625	4	48.25	0	10.125	0	3.875	0	0.25	0	0	0	0	282.336	256.349	627	672	48	30	122	110
Artemisinin	Orcinol	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Oc1cc(O)cc(C)c1	3.8050928	1.3316978	-88182.25	-37990.406	-667016.75	-160871.08	-154.65057	-74.324158	-10.56012	-9.0118799	10.56012	9.0118799	0.87564999	0.30166	45.079445	19.258345	456.67719	301.13739	0	0	0	0	456.67719	301.13739	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	17	0	2	4	4	20	9	12	7	58.156837	23.835384	1.3846866	1.4020814	0	0	0	0	15	7	0	0	0	0	22	8	0	0	0	0	5	2	0	0	0	0	1.8182865	2.4033213	-2.8763011	-2.2792494	-0.46847317	-0.67846245	0.48142555	0.70240301	2.9546874	2.241442	-2.9138391	-2.1116786	-0.40296918	-0.61588734	0.52481794	0.63872081	2.9398463	2.4432595	-2.6583734	-1.9920828	-0.33618459	-0.51248455	0.60764611	0.84555811	3.1623287	2.5396886	30.756554	8.745656	0	0	0	0	0	6	45	17	1	0	23	9	3	2	0	0	0	0	44	11	0	0	0	0	0	0	14.120955	6.8533711	12.25642	5.1264782	10.215178	4.2320509	10.292529	4.8533711	9.4617796	4.1815405	7.713058	2.6792643	6.0543661	2.2320509	6.0990243	3.02684	7	0	7	0	0	0	0	0	1.0725014	0.99810249	0.76930565	0.72875661	7	4	0	0	0	0	0	0	0	0	67.720932	-3.4185753	15.392588	5.8516641	-3.2059937	-20.799114	10.423069	-17.288996	0.004222634	7.54E-15	0	0	2.59E+12	2.09E+09	-9.7782021	-2.3542664	2.59E+12	2.09E+09	-3.9392874	-13.007062	0	0	8.5961571	3.1727433	13.212008	5.2919397	33.304897	4.8460121	13.629063	3.5101187	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76484102	-0.38651478	-0.44888046	-0.01928976	0.15791352	3.1303203	2.0302002	-0.89714968	-0.76453787	-0.31035468	-0.3062419	-0.002505066	0.10463531	3.1423492	2.2299755	-0.53425395	-0.47936115	-0.21040775	-0.22569142	0.10722204	0.26209772	3.3267074	2.3147697	0.21797732	0.024946459	6.1551886	1.7216145	6.7819748	5.0433698	6.7819748	1.396565	0.72404015	1.3802941	0.72404015	1.379603	-2.328289	-1.2806978	0	0	0.95388722	3.4368136	7.165029	3.4928646	0	-0.007422094	14	9.1262379	14	14	1	1.04476	0	0.004441293	13.648394	7.1111112	4.2631578	2.7222223	1.6952908	2	13.022482	5.2900672	4.0571489	1.9397933	1.6103241	1.3662045	2.6417074	1.1401819	5	2	0	2	1	1	0	0	3.582	1.699	-3.4716799	-1.1349	3.2725534	1.1190889	-88505.227	-38123.035	-655666.63	-160596.34	-124.02571	-82.18351	-10.87649	-8.8052301	10.87649	8.8052301	0.70187002	0.085419998	7.0486565	3.478116	0	0	1	1	0.54197603	0.49777281	0.76507992	0.50792056	19	6	1	1	4	1	1	0	0	0	0	0	0	0	1.578668	0.86450166	-1.578668	-0.86450166	0.169572	0.25137573	0.19891214	0.41612574	98.274422	12.796158	4.2653861	29.713198	0	0	0	0	12.263453	20.648346	14.708499	0	0	0	44.851616	57.720928	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	15.535081	0.78448415	0.7347523	0.47116494	0.53701353	0.10538135	0.1138821	0.21551585	0.26524773	0.52883506	0.46298647	0.1101345	0.15136562	192.12025	100.23029	115.38834	73.256012	25.807903	15.535081	52.779854	36.183426	129.51176	63.1577	26.971952	20.648346	0.42857143	0.25	0.75	0.33333334	3.6450274	1.1955121	-82636.43	-35520.559	-653627.19	-157473.25	-158.23212	-76.58799	-10.78035	-9.0292702	10.78035	9.0292702	-0.15042999	0.25802001	2210.6523	556.6214	1038.6576	276.28448	1466.22	281.91693	1916.4272	555.04132	1121.4878	279.30978	776.37323	275.73148	312.79126	1.5801486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	136.41371	0	0	0	0	0	0	244.9001	136.41371	0	0	4	3	1	0	2.7981894	2.1175117	4	1	0	0	0	0	0.1	0	2.3949001	1.40622	0	50.770454	7.7454643	0	81.819725	0	0	0	17.643185	3.185575	0	0	0	0	0	52.929554	75.473625	0	99.978043	43.81287	6.8046999	3.45086	73.293228	0	0	50.770454	17.643185	0	8.5265026	13.672431	0	0	75.473625	52.929554	7.7454643	0	99.978043	33.326015	2.4099162	1.9222772	1.8617485	1.597109	1.1251426	0.3036131	53.990002	40.459999	0.51481563	0.7642045	5.523562	4.1699252	2.5399911	1.9591479	8.4195395	6.0257225	244.9001	136.41371	367.00107	170.34355	263.25	124.375	281.14902	147.45782	30.537619	0	0	0	0	0	0	0	160.29349	95.959511	33.029301	0	30.537619	27.133842	5.3953252	3.2051196	0.23970899	0.33248052	2.6517773	2.9684224	1.7756623	2.2095637	0.80558389	1.0038739	0.39811906	0.40664586	0.18423676	0.16377869	0.050205711	0.03074936	0.004379716	0	0	0	578.125	401.375	340.375	233.875	271.25	175.875	245	150.5	218.5	132.125	157.125	98.375	79.625	61.375	31.75	33	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.0487108	-2.2559736	-2.0204592	-2.2545061	-2.0147398	-5.4111814	-4.5242662	-5.3114209	-4.4756956	-5.095974	-4.3792496	1.2020918	1.1490697	230.75	169.375	274.625	191.875	173.75	98.625	66.125	32.625	24.25	11	5.75	2.25	0.5	0	0	0	0.089400925	0.073916137	0.023469388	0.016611295	1.1877036	0.74589825	1.0598711	0.74654889	1.0759208	1.0474733	1.2929488	1.3583966	1.5141792	1.5415199	1.8226515	0.93479091	1.5276124	0.42480072	1.2021793	0.51081157	0.81477576	0.48929268	2.2796693	1.4345784	3.7727251	2.1019843	4.1858115	2.1644573	4.3511286	2.1806068	4.5800614	2.1577399	5.3393946	0	0	0	1.4401109	1.2454625	407.4339	266.16617	586.75	331.5	831.625	632.5	411	339.75	177.75	126.75	66.125	40.625	24.25	13	5.75	2.5	0.5	0	0	0	600.875	463.125	136.375	147.875	4	28.125	0	8	0	2	0	0.25	0	0	0	0	282.336	124.139	627	84	48	9	122	42
Artemisinin	Phenazine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	n1c2c(nc3c1cccc3)cccc2	3.8050928	0.001414214	-88182.25	-47471.254	-667016.75	-259465.22	-154.65057	92.970734	-10.56012	-8.97822	10.56012	8.97822	0.87564999	-1.26765	45.079445	28.654345	456.67719	376.48923	0	0	0	0	456.67719	376.48923	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	14	0	0	42	22	0	0	4	2	20	14	12	12	58.156837	29.087946	1.3846866	1.3221793	0	0	0	0	15	12	0	0	0	0	22	8	0	0	0	2	5	0	0	0	0	0	1.8182865	1.7054343	-2.8763011	-2.1668186	-0.46847317	-0.6925258	0.48142555	0.69619167	2.9546874	2.1488271	-2.9138391	-2.0125177	-0.40296918	-0.60506147	0.52481794	0.78018481	2.9398463	2.3172657	-2.6583734	-1.8270792	-0.33618459	-0.50422275	0.60764611	0.89069259	3.1623287	2.4932168	30.756554	11.385656	0	0	0	0	0	16	45	24	1	0	23	16	3	1	0	0	0	0	44	8	0	0	0	0	0	0	14.120955	9.3804693	12.25642	7.5132294	10.215178	6.6188021	10.292529	7.9662552	9.4617796	6.932653	7.713058	4.5491276	6.0543661	3.6547005	6.0990243	5.2996597	7	0	7	0	0	0	0	0	1.0725014	0.99770242	0.76930565	0.70739037	7	7	0	0	0	0	0	0	0	0	67.720932	62.478642	15.392588	3.5905027	-3.2059937	33.786407	10.423069	41.371162	0.004222634	0.000728588	0	0	2.59E+12	4.09E+08	-9.7782021	-0.5557636	2.59E+12	4.09E+08	-3.9392874	-4.7986374	0	0	8.5961571	13.069816	13.212008	10.868072	33.304897	4.4464307	13.629063	7.5847578	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.73783058	-0.38651478	-0.43848753	-0.01928976	0.069481283	3.1303203	2.226356	-0.89714968	-0.70226282	-0.31035468	-0.322164	-0.002505066	0.15209433	3.1423492	2.382179	-0.53425395	-0.40031409	-0.21040775	-0.21574421	0.10722204	0.21270888	3.3267074	2.5586841	0.21797732	1.32E-06	6.1551886	3.9627328	6.7819748	3.1651392	6.7819748	3.1651392	0.72404015	2.6837547	0.72404015	2.6865876	-2.328289	-3.4027646	0	0	0.95388722	7.4893193	7.165029	5.5936103	0	0.007016566	14	14	14	9.1508179	1	1.042676	0	0.004197773	13.648394	9.2421875	4.2631578	3.8677685	1.6952908	1.76	13.022482	5.8235974	4.0571489	2.3394856	1.6103241	1.0314344	2.6417074	0.97315878	5	2	0	0	1	1	0	0	3.582	2.9295299	-3.4716799	-2.4995601	3.2725534	0.001414214	-88505.227	-47506.563	-655666.63	-259307.97	-124.02571	71.806541	-10.87649	-8.9121799	10.87649	8.9121799	0.70187002	-1.24836	7.0486565	5.6339121	0	1	1	1	0.54197603	0.17374657	0.76507992	0.82625484	19	16	1	1	4	3	1	0	0	0	0	0	0	0	1.578668	0.86258876	-1.578668	-0.86258876	0.169572	0.10420489	0.19891214	0.28243273	98.274422	0	4.2653861	60.921291	0	0	0	0	12.263453	0	14.708499	0	0	0	44.851616	49.019615	37.495354	49.019615	0	0	7.2334704	0	7.2334704	11.365152	16.070677	0	2.503756	0	0.78448415	0.93327397	0.47116494	0.64232469	0.10538135	0.066726007	0.21551585	0.066726007	0.52883506	0.35767534	0.1101345	0	192.12025	158.96053	115.38834	109.40438	25.807903	11.365152	52.779854	11.365152	129.51176	60.921291	26.971952	0	0.42857143	0.42857143	0.75	0.75	3.6450274	0.002236068	-82636.43	-43076.055	-653627.19	-252086.09	-158.23212	78.906776	-10.78035	-8.9309101	10.78035	8.9309101	-0.15042999	-1.46141	2210.6523	1336.7172	1038.6576	232.24985	1466.22	1104.4683	1916.4272	1336.7162	1121.4878	1096.5732	776.37323	142.35681	312.79126	97.787117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	170.32568	0	0	0	0	0	0	244.9001	170.32568	0	0	4	4	1	0	2.7981894	2.7235184	4	3	0	0	0	0	0.1	1	2.3949001	2.783	0	0	7.7454643	33.57106	81.819725	0	0	0	17.643185	0	0	0	0	0	0	149.72202	75.473625	0	99.978043	0	6.8046999	5.7044001	73.293228	0	0	33.57106	17.643185	0	8.5265026	0	0	8.5765476	75.473625	141.14548	7.7454643	0	99.978043	0	2.4099162	2.9484878	1.8617485	1.465181	1.1251426	0.003392182	53.990002	25.780001	0.51481563	0.64206427	5.523562	5	2.5399911	2.5695729	8.4195395	7.3165565	244.9001	170.32568	367.00107	254.75327	263.25	180.625	281.14902	196.41495	30.537619	11.365152	0	0	0	0	0	0	160.29349	153.26616	33.029301	0	30.537619	11.365152	5.3953252	0.062192727	0.23970899	0.28117222	2.6517773	2.8127708	1.7756623	2.0059102	0.80558389	0.94103312	0.39811906	0.32914749	0.18423676	0.18237582	0.050205711	0.084081881	0.004379716	0.012925644	0	0	578.125	614.5	340.375	353.75	271.25	266.5	245	237.75	218.5	206.5	157.125	169.375	79.625	93.5	31.75	48.25	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.5414517	-2.2559736	-2.5133309	-2.2545061	-2.4932578	-5.4111814	-5.3869624	-5.3114209	-5.3711042	-5.095974	-5.3320613	1.2020918	1.1850466	230.75	191.75	274.625	217.875	173.75	140.5	66.125	48.25	24.25	21.125	5.75	8.75	0.5	1.25	0	0	0.089400925	0.079268292	0.023469388	0.036803365	1.1877036	0.022030402	1.0598711	0.064441673	1.0759208	0.053583175	1.2929488	0.098753192	1.5141792	0.055313744	1.8226515	0.063576661	1.5276124	0.055081993	1.2021793	0.32089883	0.81477576	0.010963202	2.2796693	0.011977747	3.7727251	0.10207973	4.1858115	0.058067016	4.3511286	0.072006583	4.5800614	0.71794939	5.3393946	4.3492913	0	0	1.4401109	1.3333147	407.4339	334.59842	586.75	446.125	831.625	802.625	411	387.25	177.75	155.5	66.125	48.25	24.25	21.125	5.75	8.75	0.5	1.25	0	0	600.875	610.875	136.375	169.375	4	15	0	0	0	0	0	0	0	0	0	0	282.336	180.20999	627	279	48	21	122	76
Artemisinin	Piperazine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	N1CCNCC1	3.8050928	0.001	-88182.25	-24538.611	-667016.75	-104162.92	-154.65057	-0.34525999	-10.56012	-9.19034	10.56012	9.19034	0.87564999	3.2418799	45.079445	15.90793	456.67719	258.43991	0	0	0	0	456.67719	258.43991	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	0	0	0	42	16	0	2	4	4	20	6	12	4	58.156837	20.78072	1.3846866	1.298795	0	0	0	0	15	4	0	0	0	0	22	10	0	0	0	2	5	0	0	0	0	0	1.8182865	2	-2.8763011	-2.7025909	-0.46847317	-0.56982118	0.48142555	0.61983103	2.9546874	2.5926416	-2.9138391	-2.9190166	-0.40296918	-0.58366477	0.52481794	0.64105654	2.9398463	2.4168053	-2.6583734	-2.4140713	-0.33618459	-0.46107498	0.60764611	0.71948975	3.1623287	2.8707948	30.756554	12.25207	0	0	0	0	0	0	45	16	1	0	23	6	3	2	0	0	0	0	44	16	0	0	0	0	0	0	14.120955	4.2426405	12.25642	3.8284271	10.215178	2.8284271	10.292529	2.8284271	9.4617796	3	7.713058	2.4142137	6.0543661	1	6.0990243	1	7	0	7	0	0	0	0	0	1.0725014	0.88916641	0.76930565	0.66112036	7	3	0	0	0	0	0	0	0	0	67.720932	48.782459	15.392588	0.53067142	-3.2059937	42.081726	10.423069	44.711136	0.004222634	0	0	0	2.59E+12	3.24E+10	-9.7782021	-0.11976678	2.59E+12	3.24E+10	-3.9392874	-8.3469267	0	0	8.5961571	0.56440115	13.212008	2.2167048	33.304897	2.9762516	13.629063	2.6294117	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.84681696	-0.38651478	-0.37238386	-0.01928976	0.12568134	3.1303203	2.1295755	-0.89714968	-1.1704868	-0.31035468	-0.42841271	-0.002505066	0.19059379	3.1423492	2.0107043	-0.53425395	-0.50859147	-0.21040775	-0.22097288	0.10722204	0.1919035	3.3267074	2.3671522	0.21797732	0.21956401	6.1551886	4.1793952	6.7819748	1.9295106	6.7819748	1.1065019	0.72404015	-3.1484244	0.72404015	-0.4928816	-2.328289	-0.048576102	0	0	0.95388722	0	7.165029	2.4814048	0	1.0041246	14	14	14	4.3241668	1	1.0541807	0	3.6781437	13.648394	4.1666665	4.2631578	2.2222223	1.6952908	1.3333334	13.022482	4.1666665	4.0571489	2.2222223	1.6103241	1.3333334	2.6417074	1.5432099	5	2	0	2	1	1	0	0	3.582	-0.84399998	-3.4716799	0.72674	3.2725534	0.001732051	-88505.227	-24638.209	-655666.63	-104005.1	-124.02571	-4.1345501	-10.87649	-9.9474401	10.87649	9.9474401	0.70187002	3.03406	7.0486565	2.4972975	0	0	1	1	0.54197603	0.53461492	0.76507992	0.57571298	19	6	1	1	4	1	1	2	0	0	0	0	0	0	1.578668	0.62714499	-1.578668	-0.62714499	0.169572	0.19457321	0.19891214	0.5	98.274422	86.892387	4.2653861	0	0	17.238026	0	0	12.263453	0	14.708499	0	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	0.27378201	0.78448415	0.99737769	0.47116494	0.002622328	0.10538135	0.002622328	0.21551585	0.002622328	0.52883506	0.99737769	0.1101345	0	192.12025	104.13042	115.38834	0.27378201	25.807903	0.27378201	52.779854	0.27378201	129.51176	104.13042	26.971952	0	0.42857143	0	0.75	0	3.6450274	0.003	-82636.43	-21977.328	-653627.19	-100381.89	-158.23212	-2.5362899	-10.78035	-9.1325998	10.78035	9.1325998	-0.15042999	2.7293501	2210.6523	208.7991	1038.6576	105.79124	1466.22	113.92387	1916.4272	197.88309	1121.4878	94.63221	776.37323	102.80338	312.79126	11.363506	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	104.4042	0	0	0	0	0	0	244.9001	104.4042	0	0	4	3	1	0	2.7981894	1.5569222	4	1	0	0	0	0	0.1	1	2.3949001	-0.82080001	0	36.0215	7.7454643	0	81.819725	0	0	73.758316	17.643185	0	0	0	0	0	0	0	75.473625	0	99.978043	0	6.8046999	2.57394	73.293228	0	0	0	17.643185	36.0215	8.5265026	0	0	0	75.473625	0	7.7454643	73.758316	99.978043	0	2.4099162	1.3663754	1.8617485	1.3033189	1.1251426	0.64025152	53.990002	24.059999	0.51481563	0.91829586	5.523562	3.5849626	2.5399911	1.5219281	8.4195395	4.7821221	244.9001	104.4042	367.00107	130.29095	263.25	96.875	281.14902	119.77174	30.537619	0	0	0	0	0	0	0	160.29349	81.198021	33.029301	0	30.537619	11.365152	5.3953252	0.11150789	0.23970899	0.1252847	2.6517773	3.1332092	1.7756623	2.1149178	0.80558389	1.4132547	0.39811906	0.70211411	0.18423676	0.34254918	0.050205711	0.11453044	0.004379716	0.006296312	0	0	578.125	211.875	340.375	114.375	271.25	101.125	245	87.625	218.5	68.375	157.125	44.5	79.625	0.375	31.75	0	7.228416	4.0311289	7.1763501	5.2201533	0.5	3.8078866	0.70710677	7.1589108	0.70710677	0.5	0.70710677	7.1763501	-2.2570698	-1.4206333	-2.2559736	-1.4197881	-2.2545061	-1.4002115	-5.4111814	-5.2237062	-5.3114209	-5.1418891	-5.095974	-5.0683794	1.2020918	1.1290854	230.75	141.75	274.625	172.75	173.75	105.875	66.125	40.25	24.25	16.625	5.75	5.75	0.5	0.5	0	0	0.089400925	0.23733003	0.023469388	0.084165476	1.1877036	0.028502706	1.0598711	0.034058701	1.0759208	0.074199446	1.2929488	0.089773685	1.5141792	0.089322336	1.8226515	0.15929192	1.5276124	3.6804886	1.2021793	0	0.81477576	0.012746068	2.2796693	0.031518634	3.7727251	0.000970438	4.1858115	0.01685958	4.3511286	0.069933273	4.5800614	0.2557365	5.3393946	1.7941841	0	0	1.4401109	1.1567937	407.4339	217.84352	586.75	252	831.625	556	411	330.375	177.75	173.75	66.125	62.5	24.25	24	5.75	7.375	0.5	0.5	0	0	600.875	414.25	136.375	157.625	4	67.875	0	22.25	0	7.375	0	1.625	0	0	0	0	282.336	86.138	627	27	48	3	122	24
Artemisinin	p-phenylenediamine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Nc1ccc(N)cc1	3.8050928	0.005	-88182.25	-29802.592	-667016.75	-127895.94	-154.65057	19.798691	-10.56012	-7.9151602	10.56012	7.9151602	0.87564999	0.64095998	45.079445	18.094343	456.67719	286.86008	0	0	0	0	456.67719	286.86008	0	0	0	1	0	1	1	0	1	0	4	0	0	0	0	6	0	0	42	16	0	2	4	2	20	8	12	6	58.156837	22.490225	1.3846866	1.4056391	0	0	0	0	15	6	0	0	0	0	22	8	0	0	0	2	5	0	0	0	0	0	1.8182865	2.2646422	-2.8763011	-2.25861	-0.46847317	-0.64262253	0.48142555	0.70335668	2.9546874	2.1586821	-2.9138391	-2.3604908	-0.40296918	-0.53807992	0.52481794	0.80591482	2.9398463	2.3375759	-2.6583734	-1.8974247	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.517652	30.756554	7.4256558	0	0	0	0	0	6	45	16	1	0	23	8	3	2	0	0	0	0	44	10	0	0	0	0	0	0	14.120955	5.9831276	12.25642	4.4641018	10.215178	3.309401	10.292529	3.9831276	9.4617796	3.7876937	7.713058	2.3987174	6.0543661	1.8213673	6.0990243	2.6329932	7	0	7	0	0	0	0	0	1.0725014	0.97098988	0.76930565	0.68353575	7	5	0	0	0	0	0	0	0	0	67.720932	-12.533416	15.392588	5.2359018	-3.2059937	-26.158834	10.423069	-23.130842	0.004222634	-5.17E-14	0	0	2.59E+12	2.50E+10	-9.7782021	-0.39757225	2.59E+12	2.50E+10	-3.9392874	-12.23475	0	0	8.5961571	4.3149548	13.212008	8.0584984	33.304897	1.046569	13.629063	3.0279937	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.817276	-0.38651478	-0.38142705	-0.01928976	0.082793966	3.1303203	1.9630519	-0.89714968	-1.334956	-0.31035468	-0.26386139	-0.002505066	0.16445385	3.1423492	2.1319916	-0.53425395	-0.4092896	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	2.2864923	0.21797732	0	6.1551886	2.1870406	6.7819748	4.9816713	6.7819748	0.43049994	0.72404015	0.56855571	0.72404015	0.56855571	-2.328289	-0.91718298	0	0	0.95388722	3.526207	7.165029	3.3541496	0	0	14	14	14	14	1	1	0	0	13.648394	6.125	4.2631578	2.52	1.6952908	1.8	13.022482	3.716748	4.0571489	1.4002867	1.6103241	0.92399871	2.6417074	0.65056413	5	2	0	4	1	1	0	0	3.582	0.56199998	-3.4716799	-0.82664001	3.2725534	2.9176536	-88505.227	-29857.625	-655666.63	-127713.14	-124.02571	22.524099	-10.87649	-8.34056	10.87649	8.34056	0.70187002	0.26537001	7.0486565	3.2799263	0	1	1	1	0.54197603	0.21634583	0.76507992	0.78365415	19	6	1	1	4	1	1	0	0	0	0	0	0	0	1.578668	0.77509761	-1.578668	-0.77509761	0.169572	0.15987761	0.19891214	0.38995603	98.274422	13.399102	4.2653861	17.061544	0	34.476051	0	0	12.263453	0	14.708499	0	0	0	44.851616	49.019615	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	13.302238	0.78448415	0.89547074	0.47116494	0.48972625	0.10538135	0.10452923	0.21551585	0.10452923	0.52883506	0.51027375	0.1101345	0	192.12025	113.95631	115.38834	62.321854	25.807903	13.302238	52.779854	13.302238	129.51176	64.936699	26.971952	0	0.42857143	0.40000001	0.75	0.66666669	3.6450274	0.098163128	-82636.43	-26719.938	-653627.19	-123348.09	-158.23212	19.527929	-10.78035	-8.0664597	10.78035	8.0664597	-0.15042999	0.41558	2210.6523	430.65045	1038.6576	93.169426	1466.22	337.48102	1916.4272	430.65045	1121.4878	146.74847	776.37323	283.90198	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	127.25855	0	0	0	0	0	0	244.9001	127.25855	0	0	4	3	1	0	2.7981894	1.9955437	4	1	0	0	0	0	0.1	1	2.3949001	0.85100001	0	65.794373	7.7454643	0	81.819725	0	0	0	17.643185	0	0	0	0	0	0	70.572739	75.473625	0	99.978043	5.513495	6.8046999	3.52668	73.293228	0	0	0	17.643185	0	8.5265026	0	0	5.513495	75.473625	136.36711	7.7454643	0	99.978043	0	2.4099162	2.1012857	1.8617485	1.3138778	1.1251426	0	53.990002	52.040001	0.51481563	0.8112781	5.523562	4	2.5399911	1.9905418	8.4195395	5.649457	244.9001	127.25855	367.00107	158.21265	263.25	111.375	281.14902	140.64769	30.537619	0	0	0	0	0	0	35.484978	160.29349	76.63308	33.029301	0	30.537619	35.484978	5.3953252	0.11698899	0.23970899	0.2688309	2.6517773	3.1399655	1.7756623	2.7670372	0.80558389	1.2006347	0.39811906	0.49108005	0.18423676	0.19397895	0.050205711	0.007655368	0.004379716	0	0	0	578.125	396.375	340.375	230.75	271.25	164.75	245	139.75	218.5	120.75	157.125	105.375	79.625	70.875	31.75	34.375	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	5	0.70710677	0.5	0.70710677	5.0249376	-2.2570698	-2.0616775	-2.2559736	-2.0426874	-2.2545061	-2.0232537	-5.4111814	-4.5447783	-5.3114209	-4.5178375	-5.095974	-4.410069	1.2020918	1.1432456	230.75	53.25	274.625	48.25	173.75	14.25	66.125	1.125	24.25	-2.25	5.75	-0.5	0.5	0	0	0	0.089400925	0.076631263	0.023469388	0.00805009	1.1877036	0.061005209	1.0598711	0.03119386	1.0759208	0.097029246	1.2929488	0.047501866	1.5141792	0.064759851	1.8226515	0.10251289	1.5276124	0.15673894	1.2021793	0.43834636	0.81477576	0.016380716	2.2796693	0.02512984	3.7727251	0.027653841	4.1858115	0.20482162	4.3511286	0.024998229	4.5800614	0.56157774	5.3393946	0	0	0	1.4401109	1.213348	407.4339	248.79506	586.75	301.875	831.625	679	411	393.375	177.75	144.375	66.125	45.375	24.25	12.625	5.75	1.125	0.5	0	0	0	600.875	625.75	136.375	345.125	4	130.125	0	44.25	0	14.875	0	1.625	0	0	0	0	282.336	108.144	627	62	48	7	122	36
Artemisinin	Pyrazine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	n1ccncc1	3.8050928	0	-88182.25	-22604.596	-667016.75	-79007.875	-154.65057	44.214161	-10.56012	-10.24874	10.56012	10.24874	0.87564999	-0.32640001	45.079445	11.907172	456.67719	228.72496	0	0	0	0	456.67719	228.72496	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	10	0	0	4	2	20	6	12	4	58.156837	15.219281	1.3846866	1.5219281	0	0	0	0	15	4	0	0	0	0	22	4	0	0	0	2	5	0	0	0	0	0	1.8182865	2.1176472	-2.8763011	-2.0101881	-0.46847317	-0.59962153	0.48142555	0.74442798	2.9546874	1.9831575	-2.9138391	-1.9561965	-0.40296918	-0.53807992	0.52481794	0.80591482	2.9398463	2.0534561	-2.6583734	-1.7178526	-0.33618459	-0.49986199	0.60764611	0.85431087	3.1623287	2.2660894	30.756554	7.0128279	0	0	0	0	0	6	45	10	1	0	23	6	3	1	0	0	0	0	44	4	0	0	0	0	0	0	14.120955	4.2426405	12.25642	3.2038283	10.215178	2.309401	10.292529	2.8284271	9.4617796	3	7.713058	1.6994622	6.0543661	0.66666669	6.0990243	1	7	0	7	0	0	0	0	0	1.0725014	0.9811945	0.76930565	0.72336394	7	3	0	0	0	0	0	0	0	0	67.720932	35.743324	15.392588	0.59892571	-3.2059937	23.549221	10.423069	27.77965	0.004222634	-1.12E-14	0	0	2.59E+12	1.80E+10	-9.7782021	-0.68722385	2.59E+12	1.80E+10	-3.9392874	-11.977596	0	0	8.5961571	5.8094997	13.212008	3.5007806	33.304897	1.5552475	13.629063	4.2304296	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.74002272	-0.38651478	-0.33154434	-0.01928976	0.11348952	3.1303203	1.6474221	-0.89714968	-0.73334336	-0.31035468	-0.26386139	-0.002505066	0.16445385	3.1423492	1.7114443	-0.53425395	-0.40909985	-0.21040775	-0.21605732	0.10722204	0.19305076	3.3267074	1.9240543	0.21797732	0	6.1551886	3.9105396	6.7819748	2.2560844	6.7819748	2.2560844	0.72404015	0.43181372	0.72404015	0.43190971	-2.328289	-0.85416585	0	0	0.95388722	3.0612385	7.165029	2.382947	0	0.000224868	14	14	14	10.647975	1	1.002116	0	0.000134073	13.648394	4.1666665	4.2631578	2.2222223	1.6952908	1.3333334	13.022482	2.447154	4.0571489	1.133854	1.6103241	0.58609843	2.6417074	0.46245256	5	2	0	0	1	1	0	0	3.582	-0.36247	-3.4716799	1.1314	3.2725534	0	-88505.227	-22636.314	-655666.63	-79164.305	-124.02571	37.75877	-10.87649	-10.02243	10.87649	10.02243	0.70187002	-0.41705999	7.0486565	2.4177234	0	0	1	1	0.54197603	0.49673647	0.76507992	0.50326353	19	6	1	1	4	1	1	0	0	0	0	0	0	0	1.578668	0.52051681	-1.578668	-0.52051681	0.169572	0.16230682	0.19891214	0.5	98.274422	66.983665	4.2653861	17.061544	0	0	0	0	12.263453	0	14.708499	0	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	11.365152	2.503756	0	0.78448415	0.88088137	0.47116494	0.11911864	0.10538135	0.11911864	0.21551585	0.11911864	0.52883506	0.88088137	0.1101345	0	192.12025	84.045204	115.38834	11.365152	25.807903	11.365152	52.779854	11.365152	129.51176	84.045204	26.971952	0	0.42857143	0	0.75	0	3.6450274	0	-82636.43	-19813.996	-653627.19	-75031.852	-158.23212	39.32045	-10.78035	-10.15572	10.78035	10.15572	-0.15042999	-0.44380999	2210.6523	169.46306	1038.6576	84.178474	1466.22	85.284576	1916.4272	169.46306	1121.4878	84.352745	776.37323	85.110313	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	95.410355	0	0	0	0	0	0	244.9001	95.410355	0	0	4	3	1	0	2.7981894	1.4546161	4	1	0	0	0	0	0.1	1	2.3949001	0.47659999	0	0	7.7454643	33.57106	81.819725	0	0	0	17.643185	0	0	0	0	0	0	68.85743	75.473625	0	99.978043	0	6.8046999	2.2032001	73.293228	0	0	33.57106	17.643185	0	8.5265026	0	0	0	75.473625	68.85743	7.7454643	0	99.978043	0	2.4099162	1.5282589	1.8617485	1.0994751	1.1251426	0	53.990002	25.780001	0.51481563	0.91829586	5.523562	3.5849626	2.5399911	1.5219281	8.4195395	4.7821221	244.9001	95.410355	367.00107	110.71882	263.25	81.625	281.14902	102.75257	30.537619	11.365152	0	0	0	0	0	0	160.29349	81.198021	33.029301	0	30.537619	11.365152	5.3953252	0.088741355	0.23970899	0.18055959	2.6517773	3.2414808	1.7756623	2.3905494	0.80558389	1.1426501	0.39811906	0.59040356	0.18423676	0.32332164	0.050205711	0.12623182	0.004379716	0	0	0	578.125	308.375	340.375	170.25	271.25	127.625	245	117.25	218.5	104.125	157.125	84.75	79.625	42.625	31.75	17.125	7.228416	0.5	7.1763501	6.5	0.5	6.5192022	0.70710677	0.5	0.70710677	1.4142135	0.70710677	1.118034	-2.2570698	-2.0302255	-2.2559736	-2.0295265	-2.2545061	-1.9774215	-5.4111814	-4.6810489	-5.3114209	-4.6777701	-5.095974	-4.6761603	1.2020918	1.0986651	230.75	209.875	274.625	231.875	173.75	134	66.125	51	24.25	21.625	5.75	6.75	0.5	0	0	0	0.089400925	0.16944173	0.023469388	0.057569295	1.1877036	0.050500866	1.0598711	0.020168122	1.0759208	0.063122965	1.2929488	0.037563592	1.5141792	0.060746685	1.8226515	0.13803244	1.5276124	0.19465989	1.2021793	0.76347905	0.81477576	0.010528321	2.2796693	0.040607344	3.7727251	0.065167934	4.1858115	0.004440967	4.3511286	0.038701672	4.5800614	0.018343469	5.3393946	0	0	0	1.4401109	1.1627003	407.4339	202.76077	586.75	235.75	831.625	566.125	411	300.875	177.75	134.25	66.125	51	24.25	21.625	5.75	6.75	0.5	0	0	0	600.875	356.25	136.375	69	4	0.25	0	0	0	0	0	0	0	0	0	0	282.336	80.089996	627	27	48	3	122	24
Artemisinin	Resorcinol	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	Oc1cc(O)ccc1	3.8050928	2.4382174	-88182.25	-34395.754	-667016.75	-132857.98	-154.65057	-66.46315	-10.56012	-9.1251497	10.56012	9.1251497	0.87564999	0.36612001	45.079445	16.164759	456.67719	273.17017	0	0	0	0	456.67719	273.17017	0	0	0	1	0	1	1	0	1	0	4	2	0	0	0	6	0	0	42	14	0	2	4	4	20	8	12	6	58.156837	20.283419	1.3846866	1.4488156	0	0	0	0	15	6	0	0	0	0	22	6	0	0	0	0	5	2	0	0	0	0	1.8182865	2.3050578	-2.8763011	-2.1693695	-0.46847317	-0.87551117	0.48142555	0.8761124	2.9546874	2.1322494	-2.9138391	-1.9700719	-0.40296918	-0.81139475	0.52481794	0.84904242	2.9398463	2.3790448	-2.6583734	-1.8555076	-0.33618459	-0.69520259	0.60764611	1.0306195	3.1623287	2.4450631	30.756554	6.5592418	0	0	0	0	0	6	45	14	1	0	23	8	3	1	0	0	0	0	44	8	0	0	0	0	0	0	14.120955	5.9831276	12.25642	4.2038283	10.215178	3.309401	10.292529	3.9831276	9.4617796	3.7876937	7.713058	2.2685809	6.0543661	1.8213673	6.0990243	2.6329932	7	0	7	0	0	0	0	0	1.0725014	1.0400189	0.76930565	0.75463432	7	4	0	0	0	0	0	0	0	0	67.720932	-0.074042231	15.392588	5.6315002	-3.2059937	-16.385443	10.423069	-13.278848	0.004222634	5.47E-14	0	0	2.59E+12	4.42E+11	-9.7782021	-2.4571609	2.59E+12	4.42E+11	-3.9392874	-13.482315	0	0	8.5961571	3.1525507	13.212008	4.6157317	33.304897	4.4207549	13.629063	3.1065955	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.76506907	-0.38651478	-0.49931419	-0.01928976	0.2158127	3.1303203	1.8941683	-0.89714968	-0.76453787	-0.31035468	-0.35057425	-0.002505066	0.17057143	3.1423492	2.1126347	-0.53425395	-0.43065318	-0.21040775	-0.27356306	0.10722204	0.3212254	3.3267074	2.1847968	0.21797732	0	6.1551886	1.7215518	6.7819748	4.9430375	6.7819748	1.2960355	0.72404015	0.87958956	0.72404015	0.87898666	-2.328289	-0.93561196	0	0	0.95388722	3.4368148	7.165029	3.0384791	0	-0.007355977	14	9.1301527	14	14	1	1.0444216	0	0.004401583	13.648394	6.125	4.2631578	2.52	1.6952908	1.8	13.022482	4.3645353	4.0571489	1.6948504	1.6103241	1.1498824	2.6417074	0.9246543	5	2	0	2	1	1	0	0	3.582	1.327	-3.4716799	-0.66097999	3.2725534	2.2077332	-88505.227	-34512.574	-655666.63	-132829.56	-124.02571	-74.761917	-10.87649	-8.8797503	10.87649	8.8797503	0.70187002	0.19454999	7.0486565	3.030412	0	0	1	1	0.54197603	0.31880465	0.76507992	0.68119538	19	6	1	1	4	1	1	0	0	0	0	0	0	0	1.578668	0.84212607	-1.578668	-0.84212607	0.169572	0.25805473	0.19891214	0.42719254	98.274422	0	4.2653861	33.978584	0	0	0	0	12.263453	20.648346	14.708499	0	0	0	44.851616	36.764713	37.495354	12.254904	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	15.535081	0.78448415	0.69640094	0.47116494	0.54164976	0.10538135	0.13034795	0.21551585	0.30359903	0.52883506	0.45835027	0.1101345	0.17325108	192.12025	82.998199	115.38834	64.554695	25.807903	15.535081	52.779854	36.183426	129.51176	54.626926	26.971952	20.648346	0.42857143	0.25	0.75	0.33333334	3.6450274	2.1368177	-82636.43	-32067.957	-653627.19	-129736.14	-158.23212	-67.060379	-10.78035	-9.1284504	10.78035	9.1284504	-0.15042999	0.32064	2210.6523	410.51202	1038.6576	130.87314	1466.22	279.63889	1916.4272	410.51202	1121.4878	240.84265	776.37323	169.66937	312.79126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	119.18163	0	0	0	0	0	0	244.9001	119.18163	0	0	4	3	1	0	2.7981894	1.930837	4	1	0	0	0	0	0.1	1	2.3949001	1.0978	0	50.770454	7.7454643	0	81.819725	0	0	0	17.643185	0	0	0	0	0	0	70.572739	75.473625	0	99.978043	10.486856	6.8046999	2.97716	73.293228	0	0	50.770454	17.643185	0	8.5265026	10.486856	0	0	75.473625	70.572739	7.7454643	0	99.978043	0	2.4099162	1.8268703	1.8617485	1.3706864	1.1251426	0	53.990002	40.459999	0.51481563	0.8112781	5.523562	4	2.5399911	1.892153	8.4195395	5.6637831	244.9001	119.18163	367.00107	145.91438	263.25	105.875	281.14902	127.82165	30.537619	0	0	0	0	0	0	0	160.29349	80.151016	33.029301	0	30.537619	27.133842	5.3953252	4.4739814	0.23970899	0.29581642	2.6517773	3.0625143	1.7756623	2.4106781	0.80558389	1.0372877	0.39811906	0.44807819	0.18423676	0.16981035	0.050205711	0.03988668	0.004379716	0	0	0	578.125	363.75	340.375	203	271.25	147.25	245	130.125	218.5	114.875	157.125	98.375	79.625	55.375	31.75	21.875	7.228416	6.5	7.1763501	0.5	0.5	6.5192022	0.70710677	0.5	0.70710677	4.5	0.70710677	4.5276928	-2.2570698	-1.9777089	-2.2559736	-1.9533104	-2.2545061	-1.9290185	-5.4111814	-4.3911495	-5.3114209	-4.3864994	-5.095974	-4.3774734	1.2020918	1.1317403	230.75	163.5	274.625	189.75	173.75	97.375	66.125	30.875	24.25	9.625	5.75	2.625	0.5	0	0	0	0.089400925	0.075551786	0.023469388	0.020172911	1.1877036	1.0187558	1.0598711	0.95039248	1.0759208	1.0632187	1.2929488	1.2844906	1.5141792	1.4439065	1.8226515	1.3946754	1.5276124	0.78319824	1.2021793	0.6658321	0.81477576	0.57558131	2.2796693	1.6058589	3.7727251	2.6058166	4.1858115	2.9287844	4.3511286	3.411602	4.5800614	3.7776761	5.3393946	0	0	0	1.4401109	1.2118235	407.4339	240.75288	586.75	291.75	831.625	599.375	411	319.375	177.75	125.375	66.125	38.625	24.25	11.125	5.75	2.625	0.5	0	0	0	600.875	435.875	136.375	129.625	4	28	0	7.75	0	1.5	0	0	0	0	0	0	282.336	110.112	627	61	48	7	122	36
Artemisinin	Saccharin	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=S1(=O)NC(=O)c2c1cccc2	3.8050928	4.1223445	-88182.25	-53649.66	-667016.75	-250651.69	-154.65057	-60.803371	-10.56012	-10.74758	10.56012	10.74758	0.87564999	-1.28953	45.079445	22.059965	456.67719	324.39438	0	0	0	0	456.67719	324.39438	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	17	0	1	4	4	20	12	12	6	58.156837	33.470856	1.3846866	1.9688739	0	0	0	0	15	7	0	0	0	0	22	5	0	0	0	1	5	3	0	0	0	1	1.8182865	2.1931896	-2.8763011	-2.2037411	-0.46847317	-0.64672983	0.48142555	0.631549	2.9546874	2.5097985	-2.9138391	-2.4867961	-0.40296918	-0.54135638	0.52481794	0.68497843	2.9398463	2.3986032	-2.6583734	-1.8803976	-0.33618459	-0.41824055	0.60764611	0.77064919	3.1623287	2.832747	30.756554	13.560035	0	0	0	0	0	6	45	18	1	1	23	13	3	2	0	0	0	0	44	11	0	0	0	0	0	0	14.120955	8.7675848	12.25642	6.7588906	10.215178	3.809401	10.292529	4.5604777	9.4617796	5.6109905	7.713058	4.7562194	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.2980478	0.76930565	0.9369182	7	5	0	0	0	0	0	0	0	0	67.720932	22.037497	15.392588	29.868965	-3.2059937	-76.957802	10.423069	-75.734467	0.004222634	0.00055483	0	0	2.59E+12	9.91E+10	-9.7782021	-2.6664512	2.59E+12	9.91E+10	-3.9392874	-17.315598	0	0	8.5961571	9.3246012	13.212008	14.319712	33.304897	58.577839	13.629063	1.2233346	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.80176741	-0.38651478	-0.42694336	-0.01928976	0.073406346	3.1303203	2.2148411	-0.89714968	-1.1457882	-0.31035468	-0.46584621	-0.002505066	0.14883402	3.1423492	2.1993122	-0.53425395	-0.40346876	-0.21040775	-0.19154724	0.10722204	0.18659887	3.3267074	2.4975188	0.21797732	0.041990153	6.1551886	4.673171	6.7819748	7.301949	6.7819748	2.5438445	0.72404015	1.0594386	0.72404015	0.68832797	-2.328289	-1.9853121	0	1.3548812	0.95388722	4.2610002	7.165029	4.4271202	0	-0.99839258	14	4.2068305	14	14	1	1.0124317	0	5.4195719	13.648394	8.5917158	4.2631578	2.75	1.6952908	1.3313609	13.022482	6.9938054	4.0571489	2.192539	1.6103241	1.0442169	2.6417074	1.2778493	5	4	0	1	1	1	0	0	3.582	0.447	-3.4716799	-1.93246	3.2725534	6.0444798	-88505.227	-54452.445	-655666.63	-248504.5	-124.02571	60.87846	-10.87649	-10.83146	10.87649	10.83146	0.70187002	-1.91592	7.0486565	4.3301024	0	0	1	1	0.54197603	0.44092184	0.76507992	0.66908622	19	10	1	1	4	2	1	0	0	0	0	0	0	0	1.578668	1.1181509	-1.578668	-1.1181509	0.169572	0.28062299	0.19891214	0.49176645	98.274422	12.254904	4.2653861	32.219616	0	8.6190128	0	10.105608	12.263453	0	14.708499	0	0	4.1846013	44.851616	12.254904	37.495354	24.509808	0	32.016521	7.2334704	2.5295215	7.2334704	0	16.070677	0	2.503756	13.566921	0.78448415	0.88341421	0.47116494	0.55744702	0.10538135	0.089102812	0.21551585	0.11658582	0.52883506	0.44255295	0.1101345	0.027483005	192.12025	134.5099	115.38834	84.877678	25.807903	13.566921	52.779854	17.751522	129.51176	67.383743	26.971952	4.1846013	0.42857143	0.40000001	0.75	0.66666669	3.6450274	4.285521	-82636.43	-49233.934	-653627.19	-240214.48	-158.23212	-74.118179	-10.78035	-10.71084	10.78035	10.71084	-0.15042999	-1.23823	2210.6523	923.39398	1038.6576	385.91754	1466.22	585.61877	1916.4272	875.25159	1121.4878	488.8959	776.37323	378.59805	312.79126	55.900021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	152.26141	0	0	0	0	0	0	244.9001	152.26141	0	0	4	3	1	0	2.7981894	2.2451544	4	2	0	0	0	0	0.1	0.58333331	2.3949001	0.1187	0	16.404997	7.7454643	53.430473	81.819725	6.6407428	0	0	17.643185	27.047791	0	1.5507339	0	0	0	70.572739	75.473625	0	99.978043	0	6.8046999	4.1093998	73.293228	72.033905	0	0	17.643185	17.955732	8.5265026	3.185575	0	0	75.473625	70.572739	7.7454643	5.2587838	99.978043	6.6407428	2.4099162	2.0532348	1.8617485	1.4999892	1.1251426	0.42073861	53.990002	63.240002	0.51481563	0.68129086	5.523562	4.7004399	2.5399911	2.144737	8.4195395	6.9010563	244.9001	152.26141	367.00107	195.5208	263.25	141.125	281.14902	165.7984	30.537619	45.583443	0	0	0	0	0	8.0752068	160.29349	69.627121	33.029301	23.05514	30.537619	53.658649	5.3953252	5.1719913	0.23970899	0.13441797	2.6517773	2.9779544	1.7756623	2.4416294	0.80558389	1.7510844	0.39811906	0.92432016	0.18423676	0.34188557	0.050205711	0.10792158	0.004379716	0.016779955	0	0	578.125	447.875	340.375	238.5	271.25	170.125	245	136.75	218.5	117.5	157.125	92.875	79.625	54.25	31.75	24.125	7.228416	6.745369	7.1763501	6.9641943	0.5	0.70710677	0.70710677	0.70710677	0.70710677	0.5	0.70710677	0.5	-2.2570698	-2.1307127	-2.2559736	-2.0994606	-2.2545061	-2.0423727	-5.4111814	-5.453855	-5.3114209	-5.4142976	-5.095974	-5.3847327	1.2020918	1.1639113	230.75	188.5	274.625	272.75	173.75	225.875	66.125	93.125	24.25	29.75	5.75	8.875	0.5	1.25	0	0	0.089400925	0.20132256	0.023469388	0.064899452	1.1877036	1.4353137	1.0598711	1.5238135	1.0759208	1.7971331	1.2929488	2.3740089	1.5141792	2.7570262	1.8226515	2.8449247	1.5276124	1.9110918	1.2021793	1.3680166	0.81477576	0.55150658	2.2796693	1.4652424	3.7727251	1.9863738	4.1858115	2.5089095	4.3511286	3.4485283	4.5800614	4.2677546	5.3393946	4.9348097	0	0	1.4401109	1.2907767	407.4339	297.10794	586.75	383.5	831.625	814.875	411	522.125	177.75	295.625	66.125	106.875	24.25	34.25	5.75	8.875	0.5	1.25	0	0	600.875	626.375	136.375	249.375	4	69.75	0	13.75	0	4.5	0	0	0	0	0	0	282.336	183.187	627	170	48	18	122	66
Artemisinin	Salicylic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)c1c(O)cccc1	3.8050928	2.2092648	-88182.25	-44749.195	-667016.75	-188477.86	-154.65057	-113.93039	-10.56012	-9.4849396	10.56012	9.4849396	0.87564999	-0.57546002	45.079445	18.726757	456.67719	297.78552	0	0	0	0	456.67719	297.78552	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	6	0	0	42	16	0	3	4	6	20	10	12	6	58.156837	24.083853	1.3846866	1.5052408	0	0	0	0	15	7	0	0	0	0	22	6	0	0	0	0	5	3	0	0	0	0	1.8182865	2.4522195	-2.8763011	-2.1709793	-0.46847317	-0.62934113	0.48142555	0.68945879	2.9546874	2.1936312	-2.9138391	-2.1012006	-0.40296918	-0.55085629	0.52481794	0.7430222	2.9398463	2.3323722	-2.6583734	-1.8643987	-0.33618459	-0.4516463	0.60764611	0.82462782	3.1623287	2.4917603	30.756554	7.517242	0	1	0	0.1	0	6	45	16	1	1	23	10	3	1	0	1	0	0.1	44	9	0	0	0	0	0	0	14.120955	7.5604777	12.25642	5.1120768	10.215178	3.809401	10.292529	4.5604777	9.4617796	4.7152143	7.713058	2.728688	6.0543661	2.0773504	6.0990243	2.9831634	7	0	7	0	0	0	0	0	1.0725014	1.1161374	0.76930565	0.80527097	7	5	0	0	0	0	0	0	0	0	67.720932	9.8512259	15.392588	5.6355033	-3.2059937	-14.146286	10.423069	-8.6827421	0.004222634	9.16E-07	0	0	2.59E+12	2.94E+10	-9.7782021	-2.8619123	2.59E+12	2.94E+10	-3.9392874	-11.879991	0	0	8.5961571	3.4456532	13.212008	17.286829	33.304897	9.4528112	13.629063	5.4635439	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.75821775	-0.38651478	-0.48944166	-0.01928976	0.15040919	3.1303203	1.9886007	-0.89714968	-0.85426527	-0.31035468	-0.35058248	-0.002505066	0.1821873	3.1423492	2.1185956	-0.53425395	-0.42783704	-0.21040775	-0.23844305	0.10722204	0.25775439	3.3267074	2.2727766	0.21797732	0.017509794	6.1551886	3.0430934	6.7819748	6.6146646	6.7819748	1.6588919	0.72404015	0.64015943	0.72404015	0.90837193	-2.328289	-1.2585945	0	0	0.95388722	4.4170513	7.165029	3.6347482	0	-1.0069259	14	4.9767804	14	14	1	1.1925596	0	2.792654	13.648394	8.1000004	4.2631578	3.4082839	1.6952908	1.9911112	13.022482	5.5951948	4.0571489	2.2441437	1.6103241	1.2599444	2.6417074	1.2556422	5	3	0	2	1	1	0	0	3.582	1.273	-3.4716799	-0.99233001	3.2725534	1.5429585	-88505.227	-44891.316	-655666.63	-187387.88	-124.02571	-114.00329	-10.87649	-9.2571297	10.87649	9.2571297	0.70187002	-0.34658	7.0486565	3.5745182	0	0	1	1	0.54197603	0.34659702	0.76507992	0.69053531	19	6	1	1	4	1	1	1	0	0	0	0	0	0	1.578668	1.1435173	-1.578668	-1.1435173	0.169572	0.25686762	0.19891214	0.31399009	98.274422	0	4.2653861	27.728603	0	0	0	0	12.263453	20.648346	14.708499	14.708499	0	0	44.851616	24.509808	37.495354	24.509808	0	0	7.2334704	0	7.2334704	0	16.070677	13.566921	2.503756	15.535081	0.78448415	0.54351544	0.47116494	0.55324155	0.10538135	0.20609452	0.21551585	0.45648456	0.52883506	0.44675845	0.1101345	0.25039005	192.12025	76.748222	115.38834	78.12162	25.807903	29.102001	52.779854	64.458847	129.51176	63.085449	26.971952	35.356846	0.42857143	0.40000001	0.75	0.66666669	3.6450274	2.0402913	-82636.43	-41581.129	-653627.19	-184630.39	-158.23212	-112.35474	-10.78035	-9.3831501	10.78035	9.3831501	-0.15042999	-0.57612002	2210.6523	630.51788	1038.6576	214.55222	1466.22	427.45859	1916.4272	619.02496	1121.4878	249.78767	776.37323	367.12866	312.79126	13.601581	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	141.20706	0	0	0	0	0	0	244.9001	141.20706	0	0	4	3	1	0	2.7981894	2.1365707	4	1	0	0	0	0	0.1	0.69999999	2.3949001	1.0904	0	25.385227	7.7454643	7.7454643	81.819725	0	0	25.385227	17.643185	27.047791	0	0	0	0	0	70.572739	75.473625	0	99.978043	5.2434282	6.8046999	3.5066099	73.293228	23.862217	0	25.385227	17.643185	25.385227	8.5265026	8.4290028	0	0	75.473625	70.572739	7.7454643	7.7454643	99.978043	0	2.4099162	1.9955703	1.8617485	1.4570894	1.1251426	0.264063	53.990002	57.529999	0.51481563	0.72192812	5.523562	4.321928	2.5399911	2.1508632	8.4195395	6.3392239	244.9001	141.20706	367.00107	171.52238	263.25	123.75	281.14902	146.84282	30.537619	0	0	0	0	0	0	0	160.29349	73.901039	33.029301	14.708499	30.537619	40.700764	5.3953252	4.1316624	0.23970899	0.12891091	2.6517773	3.0399685	1.7756623	2.3863378	0.80558389	1.3811328	0.39811906	0.76460892	0.18423676	0.37496516	0.050205711	0.10444269	0.004379716	0.003713427	0	0	578.125	369.625	340.375	202.75	271.25	151.75	245	131.625	218.5	114	157.125	93.375	79.625	50.625	31.75	21	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	0.5	0.70710677	0.70710677	-2.2570698	-2.1349969	-2.2559736	-2.1030979	-2.2545061	-2.0548558	-5.4111814	-5.5056005	-5.3114209	-5.1245027	-5.095974	-5.0873437	1.2020918	1.1524351	230.75	216.375	274.625	266	173.75	181.875	66.125	79.125	24.25	29	5.75	7.75	0.5	0.375	0	0	0.089400925	0.19686985	0.023469388	0.05887939	1.1877036	1.4700758	1.0598711	1.4189216	1.0759208	1.5765135	1.2929488	1.8721858	1.5141792	2.0826175	1.8226515	1.9935706	1.5276124	1.0258491	1.2021793	0.1923407	0.81477576	0.5624491	2.2796693	1.5517383	3.7727251	2.2290576	4.1858115	2.5174792	4.3511286	2.5570891	4.5800614	3.3663187	5.3393946	4.9499621	0	0	1.4401109	1.2391664	407.4339	265.80368	586.75	329.375	831.625	701.75	411	412.75	177.75	210.5	66.125	85.375	24.25	29.875	5.75	7.75	0.5	0.375	0	0	600.875	485.375	136.375	146.75	4	28.625	0	6.25	0	0.875	0	0	0	0	0	0	282.336	138.12199	627	114	48	12	122	46
Artemisinin	Succinic acid	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(O)CCC(=O)O	3.8050928	0.83187377	-88182.25	-43311.445	-667016.75	-157020.3	-154.65057	-198.09592	-10.56012	-11.74495	10.56012	11.74495	0.87564999	0.64920002	45.079445	14.248758	456.67719	270.94562	0	0	0	0	456.67719	270.94562	0	0	0	0	0	0	1	2	1	2	4	4	0	0	0	0	0	0	42	14	0	4	4	8	20	8	12	2	58.156837	21.793194	1.3846866	1.5566567	0	0	0	0	15	4	0	0	0	0	22	6	0	0	0	0	5	4	0	0	0	0	1.8182865	2.9754319	-2.8763011	-2.3582046	-0.46847317	-0.51999044	0.48142555	0.45305976	2.9546874	2.4797873	-2.9138391	-2.4016695	-0.40296918	-0.48567873	0.52481794	0.39491966	2.9398463	2.4684021	-2.6583734	-2.162677	-0.33618459	-0.30635926	0.60764611	0.58745092	3.1623287	2.6786757	30.756554	8.4752417	0	3	0	0.42857143	0	0	45	13	1	2	23	7	3	3	0	3	0	0.42857143	44	11	0	0	0	0	0	0	14.120955	6.5689139	12.25642	4.1251373	10.215178	2.4142137	10.292529	2.5689142	9.4617796	3.6258976	7.713058	2.0625687	6.0543661	1.2071068	6.0990243	1.3164966	7	0	7	0	0	0	0	0	1.0725014	1.1883069	0.76930565	0.90133286	7	5	0	0	0	0	0	0	0	0	67.720932	-39.992172	15.392588	3.819737	-3.2059937	-56.778286	10.423069	-56.645374	0.004222634	0.000126615	0	0	2.59E+12	4.53E+11	-9.7782021	-4.2126093	2.59E+12	4.53E+11	-3.9392874	-17.73822	0	0	8.5961571	1.7243216	13.212008	8.2736931	33.304897	11.109017	13.629063	0.13291393	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.70661539	-0.38651478	-0.47994253	-0.01928976	0.097103454	3.1303203	1.9129525	-0.89714968	-0.87773973	-0.31035468	-0.42963541	-0.002505066	0.037916515	3.1423492	1.8785927	-0.53425395	-0.49658626	-0.21040775	-0.23919058	0.10722204	0.21295467	3.3267074	2.1093345	0.21797732	0.26354963	6.1551886	4.4530392	6.7819748	8.677207	6.7819748	2.9407434	0.72404015	-0.91927314	0.72404015	-0.76589811	-2.328289	0.14298362	0	0	0.95388722	1.9091189	7.165029	2.6244385	0	-1.9849864	14	4.3606634	14	14	1	1.0811642	0	6.1289773	13.648394	8	4.2631578	3.9375	1.6952908	7.1999998	13.022482	6.1857958	4.0571489	2.9159999	1.6103241	5.1321602	2.6417074	2.2547226	5	4	0	2	1	1	0	0	3.582	-0.52399999	-3.4716799	0.65394002	3.2725534	0.17698023	-88505.227	-43508.914	-655666.63	-157620.13	-124.02571	-190.91541	-10.87649	-11.70876	10.87649	11.70876	0.70187002	0.55464	7.0486565	2.5397177	0	0	1	1	0.54197603	0.36753204	0.76507992	0.93086642	19	0	1	1	4	0	1	3	0	0	0	0	0	0	1.578668	1.1928439	-1.578668	-1.1928439	0.169572	0.21802853	0.19891214	0.27770457	98.274422	34.464172	4.2653861	0	0	0	0	0	12.263453	20.648346	14.708499	29.416998	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	27.133842	2.503756	15.535081	0.78448415	0.27094805	0.47116494	0.33545163	0.10538135	0.33545163	0.21551585	0.72905195	0.52883506	0.6645484	0.1101345	0.39360031	192.12025	34.464172	115.38834	42.668922	25.807903	42.668922	52.779854	92.734268	129.51176	84.529518	26.971952	50.065342	0.42857143	0.40000001	0.75	0.66666669	3.6450274	0.42925283	-82636.43	-40185.375	-653627.19	-154671.75	-158.23212	-190.17035	-10.78035	-11.57081	10.78035	11.57081	-0.15042999	0.55672997	2210.6523	454.54517	1038.6576	145.37071	1466.22	368.18753	1916.4272	395.53207	1121.4878	164.63205	776.37323	61.227802	312.79126	228.6853	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	127.19843	0	0	0	0	0	0	244.9001	127.19843	0	0	4	3	1	0	2.7981894	1.9619397	4	0	0	0	0	0	0.1	0	2.3949001	-0.064199999	0	0	7.7454643	15.490929	81.819725	47.724434	0	50.770454	17.643185	0	0	0	0	0	0	0	75.473625	37.736813	99.978043	0	6.8046999	2.4505601	73.293228	47.724434	0	0	17.643185	50.770454	8.5265026	0	0	0	75.473625	37.736813	7.7454643	15.490929	99.978043	0	2.4099162	1.4978045	1.8617485	1.2678316	1.1251426	0.76892918	53.990002	74.599998	0.51481563	0.75787848	5.523562	3.8073549	2.5399911	2.2623148	8.4195395	5.6119804	244.9001	127.19843	367.00107	131.01486	263.25	99.375	281.14902	130.04399	30.537619	0	0	0	0	0	0	0	160.29349	31.616989	33.029301	29.416998	30.537619	54.267685	5.3953252	1.8847564	0.23970899	0.040573563	2.6517773	3.2230833	1.7756623	2.8153582	0.80558389	1.9219155	0.39811906	1.2215787	0.18423676	0.68916124	0.050205711	0.25920191	0.004379716	0.013007301	0	0	578.125	196.5	340.375	106.25	271.25	77.75	245	65.75	218.5	49.625	157.125	38.375	79.625	16.375	31.75	2.25	7.228416	0.5	7.1763501	0.70710677	0.5	0.5	0.70710677	6.6895442	0.70710677	6.98212	0.70710677	1	-2.2570698	-1.6795983	-2.2559736	-1.6472766	-2.2545061	-1.6430378	-5.4111814	-5.4685421	-5.3114209	-5.2942615	-5.095974	-5.2503586	1.2020918	1.159954	230.75	289.625	274.625	371.75	173.75	253.75	66.125	122	24.25	54	5.75	15	0.5	1.125	0	0	0.089400925	0.72186494	0.023469388	0.22813688	1.1877036	0.89307123	1.0598711	0.85963678	1.0759208	0.9629398	1.2929488	1.1132426	1.5141792	1.3196533	1.8226515	1.3410188	1.5276124	0.79279733	1.2021793	0.69127929	0.81477576	0.25338501	2.2796693	0.4600547	3.7727251	0.68395388	4.1858115	0.77188814	4.3511286	0.9224177	4.5800614	1.2162861	5.3393946	2.6735458	0	0	1.4401109	1.1676443	407.4339	240.65549	586.75	281	831.625	710.75	411	494.5	177.75	282.125	66.125	130.125	24.25	56.125	5.75	15	0.5	1.125	0	0	600.875	421.125	136.375	122.75	4	28.375	0	8.125	0	2.125	0	0	0	0	0	0	282.336	118.088	627	74	48	5	122	30
Artemisinin	Sulfaproxyline	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	S(=O)(=O)(NC(=O)c1ccc(OC(C)C)cc1)c1ccc(N)cc1	3.8050928	10.740168	-88182.25	-96522.18	-667016.75	-642724.81	-154.65057	-97.108368	-10.56012	-9.3162403	10.56012	9.3162403	0.87564999	-0.58463001	45.079445	48.470276	456.67719	586.46259	0	0	0	0	456.67719	586.46259	0	0	0	0	0	0	1	2	1	4	4	4	0	0	0	12	0	0	42	41	0	2	4	6	20	23	12	15	58.156837	70.600983	1.3846866	1.7219752	0	0	0	0	15	16	0	0	0	0	22	18	0	0	0	2	5	4	0	0	0	1	1.8182865	1.7886415	-2.8763011	-2.5094967	-0.46847317	-0.63579011	0.48142555	0.64974099	2.9546874	2.478241	-2.9138391	-2.5564196	-0.40296918	-0.53807992	0.52481794	0.73524719	2.9398463	2.5152724	-2.6583734	-2.2716434	-0.33618459	-0.4639557	0.60764611	0.81039447	3.1623287	2.7675889	30.756554	29.027725	0	5	0	0.20833333	0	12	45	42	1	1	23	24	3	4	0	6	0	0.25	44	29	0	0	0	0	0	0	14.120955	17.03517	12.25642	13.631241	10.215178	9.6961527	10.292529	11.120955	9.4617796	10.775694	7.713058	8.4548054	6.0543661	5.0474348	6.0990243	6.7540202	7	0	7	0	0	0	0	0	1.0725014	1.1058983	0.76930565	0.79051369	7	14	0	0	0	0	0	0	0	0	67.720932	-1.7329094	15.392588	24.977091	-3.2059937	-77.690872	10.423069	-63.162727	0.004222634	0.00025452	0	0	2.59E+12	18692120	-9.7782021	-0.41100937	2.59E+12	18692120	-3.9392874	-41.904106	0	0	8.5961571	10.667993	13.212008	25.759075	33.304897	25.784481	13.629063	14.528142	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81258619	-0.38651478	-0.37228906	-0.01928976	0.072717622	3.1303203	2.4359999	-0.89714968	-1.3342963	-0.31035468	-0.35508162	-0.002505066	0.15867099	3.1423492	2.4987459	-0.53425395	-0.52175605	-0.21040775	-0.20921297	0.10722204	0.19305076	3.3267074	2.7247977	0.21797732	0.041528918	6.1551886	6.7244806	6.7819748	12.878468	6.7819748	5.5052042	0.72404015	2.2829125	0.72404015	2.2829125	-2.328289	-3.8506532	0	1.3649983	0.95388722	7.7731814	7.165029	8.9907103	0	0	14	14	14	14	1	1	0	0	13.648394	19.326389	4.2631578	8.3927336	1.6952908	5.7856674	13.022482	15.238745	4.0571489	6.5411305	1.6103241	4.4696035	2.6417074	4.3338528	5	6	0	3	1	1	0	0	3.582	2.5039999	-3.4716799	-4.0036402	3.2725534	10.615595	-88505.227	-97442.359	-655666.63	-634989.44	-124.02571	40.363209	-10.87649	-9.5492802	10.87649	9.5492802	0.70187002	-1.59763	7.0486565	8.9165821	0	1	1	1	0.54197603	0.1704905	0.76507992	0.87867177	19	12	1	1	4	2	1	4	0	0	0	0	0	0	1.578668	1.9238942	-1.578668	-1.9238942	0.169572	0.15892552	0.19891214	0.28593549	98.274422	56.801674	4.2653861	64.701454	0	25.857038	0	10.105608	12.263453	0	14.708499	0	0	4.1846013	44.851616	88.723511	37.495354	24.509808	0	32.016521	7.2334704	2.5295215	7.2334704	0	16.070677	0	2.503756	22.721796	0.78448415	0.91899359	0.47116494	0.51332343	0.10538135	0.068407923	0.21551585	0.081006393	0.52883506	0.4866766	0.1101345	0.012598471	192.12025	305.24515	115.38834	170.50116	25.807903	22.721796	52.779854	26.906397	129.51176	161.65038	26.971952	4.1846013	0.42857143	0.5	0.75	1	3.6450274	9.552866	-82636.43	-88962.07	-653627.19	-624659.81	-158.23212	-102.7872	-10.78035	-9.3391705	10.78035	9.3391705	-0.15042999	-0.79815	2210.6523	6478.7231	1038.6576	1078.0608	1466.22	5556.0957	1916.4272	6323.2896	1121.4878	609.87476	776.37323	2497.2463	312.79126	3371.6021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	332.15155	0	0	0	0	0	0	244.9001	332.15155	0	0	4	7	1	0	2.7981894	4.4016366	4	2	0	0	0	0	0.1	0.78260869	2.3949001	2.1747	0	60.302074	7.7454643	53.430473	81.819725	13.109392	0	0	17.643185	27.047791	0	1.5507339	0	0	0	141.14548	75.473625	0	99.978043	74.652206	6.8046999	8.7712402	73.293228	72.033905	0	10.999887	17.643185	17.955732	8.5265026	14.897653	0	2.7567475	75.473625	174.04266	7.7454643	5.2587838	99.978043	73.29277	2.4099162	4.5702796	1.8617485	1.7835755	1.1251426	0.93136102	53.990002	98.489998	0.51481563	0.43892586	5.523562	5.5849624	2.5399911	3.5277348	8.4195395	8.7186022	244.9001	332.15155	367.00107	423.01102	263.25	302.375	281.14902	345.83109	30.537619	48.0872	0	0	0	0	0	25.817696	160.29349	215.29459	33.029301	23.05514	30.537619	73.9049	5.3953252	3.7537878	0.23970899	0.15896907	2.6517773	2.6905897	1.7756623	2.1681964	0.80558389	1.3420639	0.39811906	0.64312851	0.18423676	0.21190178	0.050205711	0.037652943	0.004379716	0.002098225	0	0	578.125	871.5	340.375	499.125	271.25	366.5	245	301.75	218.5	254	157.125	181.125	79.625	112.375	31.75	55.25	7.228416	0.5	7.1763501	1.118034	0.5	1.2247449	0.70710677	0.70710677	0.70710677	0.5	0.70710677	1.118034	-2.2570698	-2.5083852	-2.2559736	-2.4627464	-2.2545061	-2.4076414	-5.4111814	-5.2517438	-5.3114209	-5.0860119	-5.095974	-5.06917	1.2020918	1.3448958	230.75	202.625	274.625	262.25	173.75	237.5	66.125	91.375	24.25	21.375	5.75	4.625	0.5	0.375	0	0	0.089400925	0.089017734	0.023469388	0.020298259	1.1877036	0.7348212	1.0598711	0.94376403	1.0759208	1.347838	1.2929488	1.7325032	1.5141792	2.0703213	1.8226515	1.5544547	1.5276124	1.0512183	1.2021793	0.63523096	0.81477576	0.65657145	2.2796693	1.4022068	3.7727251	1.7523495	4.1858115	2.1082234	4.3511286	2.4235194	4.5800614	3.133913	5.3393946	5.2130432	0	0	1.4401109	1.3878891	407.4339	529.94147	586.75	735.5	831.625	1277.25	411	751.125	177.75	378.75	66.125	126.125	24.25	32.625	5.75	6.125	0.5	0.375	0	0	600.875	1074.625	136.375	488.875	4	141.25	0	34.75	0	11.25	0	1.5	0	0	0	0	282.336	334.396	627	1336	48	33	122	116
Artemisinin	Temozolomide	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C(N)c1ncn2C(=O)N(C)N=Nc12	3.8050928	3.2259464	-88182.25	-62948.078	-667016.75	-314997.41	-154.65057	65.068512	-10.56012	-9.7597198	10.56012	9.7597198	0.87564999	-1.22365	45.079445	22.764757	456.67719	360.89117	0	0	0	0	456.67719	360.89117	0	0	0	0	0	0	1	1	1	2	4	5	0	0	0	5	0	0	42	20	0	1	4	6	20	14	12	2	58.156837	37.909237	1.3846866	1.8954618	0	0	0	0	15	6	0	0	0	0	22	6	0	0	0	6	5	2	0	0	0	0	1.8182865	2.0964444	-2.8763011	-2.3117256	-0.46847317	-0.57917488	0.48142555	0.53802127	2.9546874	2.3490908	-2.9138391	-2.4648359	-0.40296918	-0.5487482	0.52481794	0.6135903	2.9398463	2.2837815	-2.6583734	-2.0518866	-0.33618459	-0.33945331	0.60764611	0.81510592	3.1623287	2.6129463	30.756554	13.095242	0	1	0	0.06666667	0	5	45	21	1	3	23	15	3	2	0	1	0	0.06666667	44	13	0	0	0	0	0	0	14.120955	10.292529	12.25642	7.2072649	10.215178	3.5773504	10.292529	4.0165076	9.4617796	6.6090608	7.713058	3.6785688	6.0543661	0.5	6.0990243	0.66666669	7	0	7	0	0	0	0	0	1.0725014	1.2259132	0.76930565	0.91476196	7	7	0	0	0	0	0	0	0	0	67.720932	61.913982	15.392588	36.443424	-3.2059937	-5.0452847	10.423069	-0.42393616	0.004222634	0.000258113	0	0	2.59E+12	2.07E+12	-9.7782021	-1.4393202	2.59E+12	2.07E+12	-3.9392874	-15.677947	0	0	8.5961571	14.610409	13.212008	20.376162	33.304897	11.283829	13.629063	4.6213489	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.81360424	-0.38651478	-0.48484185	-0.01928976	0.04582046	3.1303203	2.1574302	-0.89714968	-1.3702914	-0.31035468	-0.37046179	-0.002505066	0.15226129	3.1423492	2.1368628	-0.53425395	-0.48815021	-0.21040775	-0.21639703	0.10722204	0.24842151	3.3267074	2.4171011	0.21797732	0.009374477	6.1551886	9.0424538	6.7819748	8.240634	6.7819748	3.6887388	0.72404015	-0.33687988	0.72404015	-0.33687988	-2.328289	-1.6181208	0	0	0.95388722	5.99652	7.165029	4.8642669	0	0	14	14	14	14	1	1	0	0	13.648394	10.515555	4.2631578	3.8677685	1.6952908	1.76	13.022482	6.4362373	4.0571489	2.2661221	1.6103241	0.99689209	2.6417074	1.0418072	5	8	0	2	1	1	0	0	3.582	-2.72	-3.4716799	-1.05165	3.2725534	3.4981411	-88505.227	-63143.785	-655666.63	-315169.25	-124.02571	-0.19327	-10.87649	-9.8347998	10.87649	9.8347998	0.70187002	-1.29146	7.0486565	4.3889751	0	1	1	1	0.54197603	0.22170939	0.76507992	0.78058392	19	10	1	1	4	2	1	1	0	0	0	0	0	0	1.578668	1.7034591	-1.578668	-1.7034591	0.169572	0.2073575	0.19891214	0.21397753	98.274422	36.034847	4.2653861	0	0	25.502314	0	35.128139	12.263453	0	14.708499	12.949531	0	17.440542	44.851616	0	37.495354	13.159503	0	9.4210396	7.2334704	0	7.2334704	19.249496	16.070677	13.566921	2.503756	6.6511192	0.78448415	0.63058519	0.47116494	0.3281171	0.10538135	0.2087087	0.21551585	0.36941478	0.52883506	0.67188287	0.1101345	0.16070607	192.12025	119.24584	115.38834	62.04808	25.807903	39.467537	52.779854	69.857613	129.51176	127.05537	26.971952	30.390074	0.42857143	0.42857143	0.75	0.75	3.6450274	3.3536873	-82636.43	-54466.148	-653627.19	-301640.25	-158.23212	22.5653	-10.78035	-9.6999798	10.78035	9.6999798	-0.15042999	-1.46965	2210.6523	1370.5175	1038.6576	303.50858	1466.22	1068.5786	1916.4272	1368.9478	1121.4878	849.20746	776.37323	516.61829	312.79126	4.6917434	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	189.10345	0	0	0	0	0	0	244.9001	189.10345	0	0	4	4	1	0	2.7981894	2.6568627	4	2	0	0	0	0	0.1	0.14285715	2.3949001	-0.1058	0	32.897186	7.7454643	31.775154	81.819725	0	0	0	17.643185	26.618963	0	66.100677	0	0	0	16.78553	75.473625	0	99.978043	26.190136	6.8046999	4.3817902	73.293228	47.724434	0	54.889908	17.643185	0	8.5265026	2.7567475	0	35.225109	75.473625	16.78553	7.7454643	10.088739	99.978043	32.897186	2.4099162	2.881171	1.8617485	1.312762	1.1251426	0.27896041	53.990002	105.94	0.51481563	0.61744827	5.523562	4.9068904	2.5399911	2.5307083	8.4195395	7.329134	244.9001	189.10345	367.00107	212.24538	263.25	158.375	281.14902	189.9944	30.537619	55.396961	0	0	0	0	0	17.742489	160.29349	40.59901	33.029301	66.371155	30.537619	73.13945	5.3953252	2.3832898	0.23970899	0.060537752	2.6517773	3.1176426	1.7756623	2.7653787	0.80558389	2.2163036	0.39811906	1.1149503	0.18423676	0.66703492	0.050205711	0.37038565	0.004379716	0.17986454	0	0.071218207	578.125	423.5	340.375	254.75	271.25	190	245	145.875	218.5	111.5	157.125	80.125	79.625	57.875	31.75	41.375	7.228416	6.5	7.1763501	0.5	0.5	6.5192022	0.70710677	0.5	0.70710677	0.70710677	0.70710677	0.86602539	-2.2570698	-2.6887951	-2.2559736	-2.6822512	-2.2545061	-2.6777284	-5.4111814	-8.5685196	-5.3114209	-8.5436449	-5.095974	-8.1041269	1.2020918	1.2100118	230.75	273.625	274.625	360.125	173.75	312.5	66.125	149	24.25	78	5.75	39.375	0.5	18	0	6.5	0.089400925	0.44802633	0.023469388	0.27506426	1.1877036	0.35078952	1.0598711	0.35949704	1.0759208	0.52263027	1.2929488	0.54764003	1.5141792	0.4772287	1.8226515	0.33487827	1.5276124	0.36901858	1.2021793	0.28224844	0.81477576	0.50154603	2.2796693	0.66899985	3.7727251	0.99155176	4.1858115	1.5274402	4.3511286	1.8783916	4.5800614	2.3812888	5.3393946	2.8143582	0	2.7347858	1.4401109	1.2561321	407.4339	316.14905	586.75	397.125	831.625	991.875	411	691.125	177.75	411.5	66.125	172	24.25	85.125	5.75	40.125	0.5	18	0	6.5	600.875	718.25	136.375	331	4	99	0	23	0	7.125	0	0.75	0	0	0	0	282.336	194.15399	627	277	48	22	122	74
Artemisinin	Theobromine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1N(C)c2ncn(C)c2C(=O)N1	3.8050928	4.0611382	-88182.25	-57037.418	-667016.75	-290372.56	-154.65057	1.2334599	-10.56012	-9.0347204	10.56012	9.0347204	0.87564999	-0.41156	45.079445	23.658344	456.67719	347.17325	0	0	0	0	456.67719	347.17325	0	0	0	1	0	1	1	0	1	0	4	3	0	0	0	5	0	0	42	21	0	1	4	4	20	13	12	3	58.156837	38.587181	1.3846866	1.8374848	0	0	0	0	15	7	0	0	0	0	22	8	0	0	0	4	5	2	0	0	0	0	1.8182865	2.1864398	-2.8763011	-2.3987832	-0.46847317	-0.40492865	0.48142555	0.28777495	2.9546874	2.4350753	-2.9138391	-2.6250503	-0.40296918	-0.28681675	0.52481794	0.40983206	2.9398463	2.3658948	-2.6583734	-2.0881677	-0.33618459	-0.15698251	0.60764611	0.52724165	3.1623287	2.7363653	30.756554	16.601656	0	0	0	0	0	5	45	22	1	2	23	14	3	2	0	0	0	0	44	15	0	0	0	0	0	0	14.120955	9.5854216	12.25642	7.2354875	10.215178	4.5773501	10.292529	5.0165076	9.4617796	6.1090608	7.713058	3.7135005	6.0543661	0.5	6.0990243	0.66666669	7	0	7	0	0	0	0	0	1.0725014	1.1375974	0.76930565	0.83756173	7	6	0	0	0	0	0	0	0	0	67.720932	-40.685917	15.392588	40.165943	-3.2059937	-111.76181	10.423069	-108.43531	0.004222634	0.000577945	0	0	2.59E+12	2.70E+12	-9.7782021	-2.1538258	2.59E+12	2.70E+12	-3.9392874	-17.202751	0	0	8.5961571	8.2449799	13.212008	13.046362	33.304897	19.337894	13.629063	3.3265002	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.8409673	-0.38651478	-0.45864016	-0.01928976	-0.048501439	3.1303203	2.2600362	-0.89714968	-1.1698163	-0.31035468	-0.34380859	-0.002505066	0.04089392	3.1423492	2.2250965	-0.53425395	-0.48539487	-0.21040775	-0.17140485	0.10722204	0.13187854	3.3267074	2.5350873	0.21797732	0.025994467	6.1551886	5.9137568	6.7819748	8.2118826	6.7819748	4.7716837	0.72404015	0.031853803	0.72404015	0.050883748	-2.328289	-1.517977	0	0	0.95388722	5.0601974	7.165029	4.6989002	0	-0.077783622	14	8.0714035	14	10.37304	1	1.3246787	0	0.04899605	13.648394	9.5510206	4.2631578	3.2925169	1.6952908	1.4268727	13.022482	6.1684279	4.0571489	2.0390365	1.6103241	0.85230362	2.6417074	0.96751153	5	6	0	1	1	1	0	0	3.582	-0.801	-3.4716799	-0.79431999	3.2725534	4.4049644	-88505.227	-57215.867	-655666.63	-289873.19	-124.02571	-36.95998	-10.87649	-9.2037601	10.87649	9.2037601	0.70187002	-0.45293	7.0486565	4.399972	0	0	1	1	0.54197603	0.36321774	0.76507992	0.64277059	19	10	1	1	4	2	1	0	0	0	0	0	0	0	1.578668	1.6101176	-1.578668	-1.6101176	0.169572	0.20539343	0.19891214	0.20354173	98.274422	72.069695	4.2653861	21.236927	0	4.2653861	0	26.509127	12.263453	0	14.708499	12.949531	0	17.440542	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	19.249496	16.070677	13.703812	2.503756	0	0.78448415	0.66203254	0.47116494	0.17582177	0.10538135	0.17582177	0.21551585	0.33796743	0.52883506	0.82417822	0.1101345	0.16214567	192.12025	124.08113	115.38834	32.953308	25.807903	32.953308	52.779854	63.343384	129.51176	154.47121	26.971952	30.390074	0.42857143	0.5	0.75	1	3.6450274	4.3118601	-82636.43	-50485.457	-653627.19	-279702.78	-158.23212	-50.813969	-10.78035	-9.0474997	10.78035	9.0474997	-0.15042999	-0.60676003	2210.6523	1042.5383	1038.6576	377.53799	1466.22	668.11249	1916.4272	1039.4261	1121.4878	462.46524	776.37323	576.90009	312.79126	3.1729891	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	187.42451	0	0	0	0	0	0	244.9001	187.42451	0	0	4	3	1	0	2.7981894	2.4055169	4	2	0	0	0	0	0.1	0.38461539	2.3949001	0.078900002	0	21.135065	7.7454643	28.773361	81.819725	0	0	0	17.643185	26.618963	0	32.897186	0	0	0	16.78553	75.473625	0	99.978043	59.087322	6.8046999	4.47542	73.293228	47.724434	0	18.684622	17.643185	21.135065	8.5265026	2.7567475	0	2.3279202	75.473625	16.78553	7.7454643	10.088739	99.978043	65.794373	2.4099162	2.3777001	1.8617485	1.5635991	1.1251426	0.3833518	53.990002	67.230003	0.51481563	0.64772749	5.523562	4.8073549	2.5399911	2.2675824	8.4195395	7.1367445	244.9001	187.42451	367.00107	215.10892	263.25	158.375	281.14902	184.98833	30.537619	32.816418	0	0	0	0	0	5.6825762	160.29349	74.498474	33.029301	66.371155	30.537619	38.498993	5.3953252	3.7656045	0.23970899	0.12713383	2.6517773	2.9881577	1.7756623	2.4732282	0.80558389	1.7721915	0.39811906	0.76641273	0.18423676	0.37434208	0.050205711	0.19578986	0.004379716	0.09382847	0	0.022755286	578.125	438.125	340.375	262	271.25	200.375	245	163.75	218.5	130.5	157.125	99.125	79.625	63.375	31.75	41.625	7.228416	0.5	7.1763501	0.5	0.5	0.70710677	0.70710677	0.5	0.70710677	2.5495098	0.70710677	2.5980761	-2.2570698	-2.5960779	-2.2559736	-2.5632179	-2.2545061	-2.5532629	-5.4111814	-6.7977824	-5.3114209	-6.7296023	-5.095974	-6.5882711	1.2020918	1.1848286	230.75	252.375	274.625	318.5	173.75	231.625	66.125	91.375	24.25	40.625	5.75	18.25	0.5	8.75	0	2.125	0.089400925	0.2202121	0.023469388	0.11145038	1.1877036	1.0562906	1.0598711	0.99694902	1.0759208	1.0782771	1.2929488	1.2633193	1.5141792	1.4755157	1.8226515	1.3838028	1.5276124	0.82385576	1.2021793	0.28113949	0.81477576	0.43926314	2.2796693	1.0476993	3.7727251	1.5631663	4.1858115	2.2232203	4.3511286	2.6916256	4.5800614	3.2100651	5.3393946	4.308629	0	4.8350296	1.4401109	1.2789156	407.4339	307.68253	586.75	393.5	831.625	851.375	411	543.125	177.75	289	66.125	104.125	24.25	44.125	5.75	18.25	0.5	8.75	0	2.125	600.875	599	136.375	224.625	4	57.375	0	12.75	0	3.5	0	0	0	0	0	0	282.336	180.16699	627	214	48	21	122	70
Artemisinin	Theophylline	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	O=C1N(C)C(=O)c2[nH]cnc2N1C	3.8050928	3.2514985	-88182.25	-57034.191	-667016.75	-291869.5	-154.65057	4.4604101	-10.56012	-9.0796299	10.56012	9.0796299	0.87564999	-0.38097	45.079445	23.658344	456.67719	347.07523	0	0	0	0	456.67719	347.07523	0	0	0	0	0	0	1	1	1	1	4	4	0	0	0	5	0	0	42	21	0	2	4	6	20	13	12	3	58.156837	38.587181	1.3846866	1.8374848	0	0	0	0	15	7	0	0	0	0	22	8	0	0	0	4	5	2	0	0	0	0	1.8182865	2.2100117	-2.8763011	-2.4476259	-0.46847317	-0.36277857	0.48142555	0.30488533	2.9546874	2.4684062	-2.9138391	-2.6250393	-0.40296918	-0.28730136	0.52481794	0.44129872	2.9398463	2.3463197	-2.6583734	-2.1470768	-0.33618459	-0.11105963	0.60764611	0.46284249	3.1623287	2.7625461	30.756554	16.601656	0	0	0	0	0	5	45	22	1	2	23	14	3	2	0	0	0	0	44	15	0	0	0	0	0	0	14.120955	9.5854216	12.25642	7.2354875	10.215178	4.5773501	10.292529	5.0165076	9.4617796	6.1258979	7.713058	3.7175834	6.0543661	0.5	6.0990243	0.66666669	7	0	7	0	0	0	0	0	1.0725014	1.1586303	0.76930565	0.83756173	7	5	0	0	0	0	0	0	0	0	67.720932	-17.013618	15.392588	41.10659	-3.2059937	-79.733543	10.423069	-74.260666	0.004222634	0.000269717	0	0	2.59E+12	7.77E+12	-9.7782021	-2.4464338	2.59E+12	7.77E+12	-3.9392874	-17.739798	0	0	8.5961571	8.4609613	13.212008	11.784807	33.304897	7.679224	13.629063	5.4728827	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.82482213	-0.38651478	-0.43568385	-0.01928976	-0.008805067	3.1303203	2.2662055	-0.89714968	-1.0014195	-0.31035468	-0.33122537	-0.002505066	0.053935751	3.1423492	2.2103412	-0.53425395	-0.48452434	-0.21040775	-0.15185234	0.10722204	0.082240485	3.3267074	2.537256	0.21797732	0.033190753	6.1551886	5.9372511	6.7819748	8.414875	6.7819748	5.0295877	0.72404015	-0.10344886	0.72404015	-0.012784516	-2.328289	-1.4907652	0	0	0.95388722	5.0601201	7.165029	4.6988902	0	0.002534284	14	11.673314	14	9.5920658	1	2.0953302	0	2.077651	13.648394	9.5510206	4.2631578	3.2925169	1.6952908	1.3333334	13.022482	6.1684279	4.0571489	2.0390365	1.6103241	0.79643035	2.6417074	0.96751153	5	6	0	1	1	1	0	0	3.582	-0.99400002	-3.4716799	-0.79431999	3.2725534	3.5611713	-88505.227	-57210.117	-655666.63	-291688	-124.02571	-32.080391	-10.87649	-9.2161903	10.87649	9.2161903	0.70187002	-0.40303999	7.0486565	4.4038234	0	0	1	1	0.54197603	0.4273195	0.76507992	0.57903677	19	10	1	1	4	2	1	0	0	0	0	0	0	0	1.578668	1.6099945	-1.578668	-1.6099945	0.169572	0.20687523	0.19891214	0.21050169	98.274422	72.069695	4.2653861	21.236927	0	10.964937	0	19.809576	12.263453	0	14.708499	12.949531	0	17.440542	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	19.249496	16.070677	13.566921	2.503756	0.13689101	0.78448415	0.66203254	0.47116494	0.17582177	0.10538135	0.17582177	0.21551585	0.33796743	0.52883506	0.82417822	0.1101345	0.16214567	192.12025	124.08113	115.38834	32.953308	25.807903	32.953308	52.779854	63.343384	129.51176	154.47121	26.971952	30.390074	0.42857143	0.2	0.75	0.25	3.6450274	3.4703879	-82636.43	-50482.875	-653627.19	-281125.97	-158.23212	-48.238838	-10.78035	-9.1041098	10.78035	9.1041098	-0.15042999	-0.57255	2210.6523	1012.8203	1038.6576	431.4267	1466.22	584.60223	1916.4272	1009.6115	1121.4878	572.78198	776.37323	436.76678	312.79126	3.2714293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	187.42451	0	0	0	0	0	0	244.9001	187.42451	0	0	4	4	1	0	2.7981894	2.3709836	4	2	0	0	0	0	0.1	0.38461539	2.3949001	0.0515	0	3.1243138	7.7454643	29.998583	81.819725	16.78553	0	0	17.643185	26.618963	0	65.794373	0	0	0	16.78553	75.473625	0	99.978043	26.190136	6.8046999	4.44802	73.293228	47.724434	0	19.909843	17.643185	19.909843	8.5265026	2.7567475	0	2.3279202	75.473625	16.78553	7.7454643	10.088739	99.978043	65.794373	2.4099162	2.1369205	1.8617485	1.8370808	1.1251426	0.38931119	53.990002	69.300003	0.51481563	0.64772749	5.523562	4.8073549	2.5399911	2.1923411	8.4195395	7.1445317	244.9001	187.42451	367.00107	215.10892	263.25	155.5	281.14902	184.84155	30.537619	27.133842	0	0	0	0	0	0	160.29349	74.498474	33.029301	66.371155	30.537619	38.498993	5.3953252	1.5729883	0.23970899	0.13312341	2.6517773	2.99105	1.7756623	2.5842466	0.80558389	1.83103	0.39811906	0.74686277	0.18423676	0.35070565	0.050205711	0.13414796	0.004379716	0.044843622	0	0.014973779	578.125	424.875	340.375	256.5	271.25	193	245	152	218.5	118.125	157.125	98	79.625	69.625	31.75	52.75	7.228416	0.5	7.1763501	0.70710677	0.5	0.5	0.70710677	0.5	0.70710677	0.5	0.70710677	1	-2.2570698	-2.6445005	-2.2559736	-2.6403537	-2.2545061	-2.6319106	-5.4111814	-7.2475901	-5.3114209	-7.0420055	-5.095974	-6.9782	1.2020918	1.1794872	230.75	245.25	274.625	335.125	173.75	224.875	66.125	84.25	24.25	33	5.75	12.375	0.5	4.5	0	1.125	0.089400925	0.19106218	0.023469388	0.081414476	1.1877036	0.45835042	1.0598711	0.43913975	1.0759208	0.45798081	1.2929488	0.62690359	1.5141792	0.90942222	1.8226515	0.94099307	1.5276124	0.78584737	1.2021793	0.4424893	0.81477576	0.14517355	2.2796693	0.17242502	3.7727251	0.35849127	4.1858115	0.75479048	4.3511286	1.5306979	4.5800614	2.766825	5.3393946	4.3230228	0	4.7871661	1.4401109	1.2849793	407.4339	306.42514	586.75	393.75	831.625	841.125	411	555.125	177.75	285.25	66.125	95	24.25	36.875	5.75	12.375	0.5	4.5	0	1.125	600.875	595.875	136.375	220	4	60.375	0	10.75	0	3.875	0	0	0	0	0	0	282.336	180.16699	627	211	48	22	122	70
Artemisinin	Triethylenediamine	NS	O=C1C(C)C2C34OOC(C)(OC3O1)CCC4C(C)CC2	N12CCN(CC1)CC2	3.8050928	0	-88182.25	-31061.16	-667016.75	-158407.2	-154.65057	20.868839	-10.56012	-9.0020905	10.56012	9.0020905	0.87564999	2.85517	45.079445	20.761517	456.67719	282.49368	0	0	0	0	456.67719	282.49368	0	0	0	1	0	0	1	0	1	1	4	2	0	0	0	0	0	0	42	20	0	0	4	2	20	8	12	6	58.156837	25.909237	1.3846866	1.2954619	0	0	0	0	15	6	0	0	0	0	22	12	0	0	0	2	5	0	0	0	0	0	1.8182865	2.0315874	-2.8763011	-2.8530731	-0.46847317	-0.094487779	0.48142555	0.043904316	2.9546874	2.7405224	-2.9138391	-2.9771237	-0.40296918	-0.058330715	0.52481794	0.123	2.9398463	2.6189935	-2.6583734	-2.5649481	-0.33618459	0.1057	0.60764611	0.13711941	3.1623287	3.0196033	30.756554	17.078484	0	0	0	0	0	0	45	21	1	0	23	9	3	2	0	0	0	0	44	21	0	0	0	0	0	0	14.120955	5.3973413	12.25642	5.1370678	10.215178	4.2426405	10.292529	4.2426405	9.4617796	3.9494898	7.713058	3.3973665	6.0543661	1.5	6.0990243	1.5	7	0	7	0	0	0	0	0	1.0725014	0.912	0.76930565	0.66579312	7	3	0	0	0	0	0	0	0	0	67.720932	85.359024	15.392588	8.2554331	-3.2059937	51.549786	10.423069	62.447605	0.004222634	0	0	0	2.59E+12	6.75E+09	-9.7782021	-1.1568213	2.59E+12	6.75E+09	-3.9392874	-6.1978011	0	0	8.5961571	1.9227746	13.212008	3.3875551	33.304897	12.733217	13.629063	10.897819	0	0	0	0	1	1	0	0	0	0	0	0	0	0	-0.79150105	-0.87128556	-0.38651478	-0.30992544	-0.01928976	-0.11609568	3.1303203	2.4203887	-0.89714968	-0.95678228	-0.31035468	-0.30936006	-0.002505066	-0.037	3.1423492	2.3394473	-0.53425395	-0.50755262	-0.21040775	-0.08430963	0.10722204	-0.054299999	3.3267074	2.6603494	0.21797732	0.71426815	6.1551886	4.2620811	6.7819748	1.7610587	6.7819748	1.7610587	0.72404015	-2.2242501	0.72404015	-0.28964365	-2.328289	-0.50230354	0	0	0.95388722	0	7.165029	3.220346	0	0.99006265	14	14	14	5.0094528	1	1.0599664	0	2.7386315	13.648394	4.8395061	4.2631578	1.75	1.6952908	0.80000001	13.022482	4.8395061	4.0571489	1.75	1.6103241	0.80000001	2.6417074	1.058642	5	2	0	0	1	1	0	0	3.582	-0.66000003	-3.4716799	0.31600001	3.2725534	0	-88505.227	-31167.361	-655666.63	-157920.38	-124.02571	19.455561	-10.87649	-9.3815403	10.87649	9.3815403	0.70187002	2.5789599	7.0486565	3.2116396	0	0	1	1	0.54197603	0.94359487	0.76507992	0.99923569	19	9	1	1	4	2	1	4	0	0	0	0	0	0	1.578668	0.59739727	-1.578668	-0.59739727	0.169572	0.073492654	0.19891214	0.5	98.274422	130.33858	4.2653861	0	0	0	0	0	12.263453	0	14.708499	0	0	0	44.851616	0	37.495354	0	0	0	7.2334704	0	7.2334704	0	16.070677	0	2.503756	0	0.78448415	1	0.47116494	0	0.10538135	0	0.21551585	0	0.52883506	1	0.1101345	0	192.12025	130.33858	115.38834	0	25.807903	0	52.779854	0	129.51176	130.33858	26.971952	0	0.42857143	0	0.75	0	3.6450274	0	-82636.43	-28151.016	-653627.19	-153233.45	-158.23212	2.7681401	-10.78035	-9.0774603	10.78035	9.0774603	-0.15042999	2.3347299	2210.6523	297.88229	1038.6576	191.0271	1466.22	202.29137	1916.4272	202.44611	1121.4878	95.564606	776.37323	101.53672	312.79126	100.78096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	244.9001	130.33858	0	0	0	0	0	0	244.9001	130.33858	0	0	4	3	1	0	2.7981894	1.6295675	4	2	0	0	0	0	0.1	1	2.3949001	-0.38240001	0	0	7.7454643	6.2486277	81.819725	0	0	110.63747	17.643185	0	0	0	0	0	0	0	75.473625	0	99.978043	0	6.8046999	3.2880001	73.293228	0	0	6.2486277	17.643185	0	8.5265026	0	0	0	75.473625	0	7.7454643	110.63747	99.978043	0	2.4099162	1.2706209	1.8617485	1.2698603	1.1251426	1.0738575	53.990002	6.48	0.51481563	0.85714841	5.523562	4.1699252	2.5399911	1.5501993	8.4195395	5.6940689	244.9001	130.33858	367.00107	168.48477	263.25	123	281.14902	140.26489	30.537619	0	0	0	0	0	0	0	160.29349	121.79704	33.029301	0	30.537619	0	5.3953252	0.12527215	0.23970899	0.20381236	2.6517773	2.9532342	1.7756623	1.8377861	0.80558389	0.81614739	0.39811906	0.47484249	0.18423676	0.28466746	0.050205711	0.14355214	0.004379716	0.034781296	0	0	578.125	328.25	340.375	174.125	271.25	151	245	141.875	218.5	125.375	157.125	107	79.625	25.625	31.75	4	7.228416	7.1589108	7.1763501	0.70710677	0.5	6.8007355	0.70710677	8.5146933	0.70710677	8.5146933	0.70710677	0.70710677	-2.2570698	-1.8179762	-2.2559736	-1.8144419	-2.2545061	-1.7942014	-5.4111814	-5.4269648	-5.3114209	-5.3707447	-5.095974	-5.3677449	1.2020918	1.1179529	230.75	197.5	274.625	219.5	173.75	123.875	66.125	54.625	24.25	25.125	5.75	9.5	0.5	2.5	0	0	0.089400925	0.16639073	0.023469388	0.06696035	1.1877036	0.016693452	1.0598711	0.044959474	1.0759208	0.010457698	1.2929488	0.040752202	1.5141792	0.069797307	1.8226515	0.08395464	1.5276124	0.17917112	1.2021793	0.16853328	0.81477576	0.014907819	2.2796693	0.034671634	3.7727251	0.082658894	4.1858115	0.080563925	4.3511286	0.11719128	4.5800614	0.37619862	5.3393946	1.1726425	0	0	1.4401109	1.2406276	407.4339	243.22366	586.75	301.75	831.625	561.75	411	266.5	177.75	123.875	66.125	54.625	24.25	25.125	5.75	9.5	0.5	2.5	0	0	600.875	364.25	136.375	47	4	0	0	0	0	0	0	0	0	0	0	0	282.336	112.17599	627	54	48	7	122	42
