smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[S@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4097566	PHYYADMVYQURSX-MBJPBQKVSA-N	423.487	-2.189	30	30	HAEC	biogenic,in-vitro
CN1CCOB(c2ccc(COC(=O)c3ncn4c(=O)n(C)nnc34)cc2)OCC1	1857524123	LWOYRSLXFQJTFH-UHFFFAOYSA-N	412.215	-1.146	30	30	HAEC	
Nc1ncnc2c1nc(NN=C1C(=O)NC(=O)NC1=O)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	8636786	PQGFECBOKPFDPT-UOCWYQSESA-N	421.330	-3.846	30	30	HAEC	
C[C@@]12O[C@@]3(O)C(O)=C(C(N)=O)C(=O)[C@]4(O)[C@@H](O)[C@H](C(=O)c5c(O)cccc51)[C@@H]2C[C@@H]34	2265319481	ZTMHFVALQNLCIY-XCBDFPGLSA-N	417.370	-1.253	30	30	HAEC	
CCOC(=O)NC1=C(NCCO)C(=O)C(NC(=O)OCC)=C(NCCO)C1=O	111437490	LTDDICJYQGXENQ-UHFFFAOYSA-N	400.388	-1.783	30	30	HAEC	
CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(=O)O	14692536	YILWWVUXGMGOAM-UHFFFAOYSA-N	420.419	-1.930	30	30	HAEC	biogenic,in-vitro
O=C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C(=N/OS(=O)(=O)O)c1ccccc1	223508949	XKZAICJZHGXTSZ-BIWILENKSA-N	423.421	-1.730	30	30	HAEC	
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCC(=O)ON1C(=O)CCC1=O	642814828	IEPDQZRONGSMSU-UHFFFAOYSA-N	411.367	-1.942	30	30	HAEC	
Nc1ncnc2c1nc(N/N=C/c1ccc([N+](=O)[O-])o1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	8636886	UGCCNZSJRBTPTF-JHJTYMNOSA-N	420.342	-1.033	30	30	HAEC	
O=S(=O)(O)O/N=C(/Cc1ccc(O)cc1)[C@@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238790459	ZMPZEEDKPBLZOH-QXIQELQBSA-N	409.438	-1.331	30	30	HAEC	
C[C@@]12O[C@@]3(O)C(O)=C(C(N)=O)C(=O)[C@]4(O)[C@H](O)[C@@H](C(=O)c5c(O)cccc51)[C@@H]2C[C@@H]34	2265319479	ZTMHFVALQNLCIY-PBGOMLRHSA-N	417.370	-1.253	30	30	HAEC	
CNC[C@@H]1CC[C@H](N)[C@H](O[C@@H]2[C@H](N)C[C@H](O)[C@H](N(C)C(=O)C/N=C/N)[C@H]2O)O1	256069735	POVPICANTPAKDE-GPPOYXQVSA-N	402.496	-3.310	30	30	HAEC	
C[C@@]12O[C@@]3(O)C(O)=C(C(N)=O)C(=O)[C@]4(O)[C@@H](O)[C@@H](C(=O)c5c(O)cccc51)[C@@H]2C[C@@H]34	2265319478	ZTMHFVALQNLCIY-MZICEYESSA-N	417.370	-1.253	30	30	HAEC	
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@](O)(C=O)[C@]2(O)C=O)c(=O)[nH]1	238791266	MLABJCHQLVYVHN-YYHYXLOLSA-N	419.243	-3.432	30	30	HAEC	
C[C@@]12O[C@@]3(O)C(O)=C(C(N)=O)C(=O)[C@]4(O)[C@H](O)[C@H](C(=O)c5c(O)cccc51)[C@@H]2C[C@@H]34	2265319480	ZTMHFVALQNLCIY-STSPMSLRSA-N	417.370	-1.253	30	30	HAEC	
C[S@@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4097565	PHYYADMVYQURSX-IRQZYMAESA-N	423.487	-2.189	30	30	HAEC	in-vitro