smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(=O)NCCN2CCOCC2)c1	ZINC000769815130	1071685916	/nfs/dbraw/zinc/68/59/16/1071685916.db2.gz	JCJZLHNKDGPEHN-UHFFFAOYSA-N	-1	3	400.457	-1.058	20	10		HACDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1	ZINC000919812192	1071529995	/nfs/dbraw/zinc/52/99/95/1071529995.db2.gz	OQPCGEANKGCIKS-UHFFFAOYSA-N	-1	3	409.428	-1.265	20	10		HACDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CN[C@H](N)[C@H]4NCN[C@@H]43)cc12	ZINC001184361057	1071828117	/nfs/dbraw/zinc/82/81/17/1071828117.db2.gz	VITVEPHUPIEUCN-CEXWTWQISA-N	-1	3	402.455	-1.242	20	10		HACDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CN[C@H](N)[C@@H]4NCN[C@H]43)cc12	ZINC001184361070	1071828289	/nfs/dbraw/zinc/82/82/89/1071828289.db2.gz	VITVEPHUPIEUCN-FHWLQOOXSA-N	-1	3	402.455	-1.242	20	10		HACDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CN[C@H](N)[C@@H]4NCN[C@@H]43)cc12	ZINC001184361074	1071828374	/nfs/dbraw/zinc/82/83/74/1071828374.db2.gz	VITVEPHUPIEUCN-GBESFXJTSA-N	-1	3	402.455	-1.242	20	10		HACDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CN[C@H](N)[C@H]4NCN[C@H]43)cc12	ZINC001184361077	1071828146	/nfs/dbraw/zinc/82/81/46/1071828146.db2.gz	VITVEPHUPIEUCN-QYZOEREBSA-N	-1	3	402.455	-1.242	20	10		HACDHM