smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc2c(c(-c3ccc(C=C4C(=O)NC(=S)NC4=O)o3)c1)OCO2	ZINC000040428784	205066258	/nfs/dbraw/zinc/06/62/58/205066258.db2.gz	HQSFMLOPBZPPJJ-UHFFFAOYSA-N	-1	0	386.341	2.128	1	10		GECFRM
Nc1ccc(CN2C(=O)c3cccc4c(N)c(S(=O)(=O)[O-])cc(c43)C2=O)cc1	ZINC000103254198	222493820	/nfs/dbraw/zinc/49/38/20/222493820.db2.gz	FUUPMOBRRXVGSY-UHFFFAOYSA-N	-1	0	397.412	2.047	1	10		GECFRM
CC(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCC(=O)[O-]	ZINC000096928424	205578320	/nfs/dbraw/zinc/57/83/20/205578320.db2.gz	WESKVDNGTUXACE-XVNBXDOJSA-N	-1	0	386.360	2.172	1	10		GECFRM
COc1ccc(-c2oc3cc(OC)c(O)c(=O)c-3c([O-])c2OC)c(O)c1O	ZINC000015271428	560230062	/nfs/dbraw/zinc/23/00/62/560230062.db2.gz	GNHURUAFLJVHLD-UHFFFAOYSA-N	-1	0	376.317	2.308	1	10	biogenic,in-vitro	GECFRM
O=S(=O)([N-]c1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc21	ZINC000095558176	208233363	/nfs/dbraw/zinc/23/33/63/208233363.db2.gz	JNXZPVRXTJWNTA-UHFFFAOYSA-N	-1	0	390.812	2.317	1	10		GECFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3cccc4c3c3cccnc3n4C)C[C@H]12	ZINC000027868947	207332235	/nfs/dbraw/zinc/33/22/35/207332235.db2.gz	POBXYBOJFXSYNK-UHNFBRDESA-N	-1	0	377.400	2.134	1	10		GECFRM
Nc1ccc(CN2C(=O)c3cccc4c(S(=O)(=O)[O-])ccc(c43)C2=O)cc1	ZINC000103254218	211426361	/nfs/dbraw/zinc/42/63/61/211426361.db2.gz	XGYBEZQFEBKHND-UHFFFAOYSA-N	-1	0	382.397	2.465	1	10		GECFRM
Cc1cc(=O)oc2c(C)c3occ(C=C4C(=O)[N-]C(=O)NC4=O)c(=O)c3cc12	ZINC000069062007	211034198	/nfs/dbraw/zinc/03/41/98/211034198.db2.gz	CEQGGFSSTKJKPR-UHFFFAOYSA-N	-1	0	380.312	2.106	1	10		GECFRM
CN1CCN(Cc2c([O-])cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)CC1	ZINC000072124700	222209709	/nfs/dbraw/zinc/20/97/09/222209709.db2.gz	NUUFSPDMNRIGGO-UHFFFAOYSA-N	-1	0	398.415	2.030	1	10		GECFRM
O=C([O-])[C@H]1[C@@H](C(=O)[O-])[NH2+]CCN1C(=O)c1ccc(/N=N/c2ccccc2)cc1	ZINC000082149056	222310601	/nfs/dbraw/zinc/31/06/01/222310601.db2.gz	OWLCQDZNALVPKV-BQLLGCRXSA-N	-1	0	382.376	2.054	1	10		GECFRM
COc1cccc2c1C(=O)c1c(OC)cc(COC(=O)CCC(=O)[O-])cc1C2=O	ZINC000095589416	222358387	/nfs/dbraw/zinc/35/83/87/222358387.db2.gz	LFKZJTIDMSBPMT-UHFFFAOYSA-N	-1	0	398.367	2.387	1	10		GECFRM
O=c1cc(-c2ccc(O)c(O)c2)oc2c(CN3CCOCC3)c([O-])cc(O)c12	ZINC000072124699	222209228	/nfs/dbraw/zinc/20/92/28/222209228.db2.gz	MLZQXXWVMYPHDQ-UHFFFAOYSA-N	-1	0	385.372	2.115	1	10		GECFRM