smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)S(=O)(=O)c1ccc(OCc2ncc(C(=O)[O-])c(=O)[n-]2)cc1	ZINC000226105112	488451515	/nfs/dbraw/zinc/45/15/15/488451515.db2.gz	UKQZHNONZGSCRD-UHFFFAOYSA-N	-2	1	353.356	0.297	40	0		FCABML
CP(=O)([O-])N(CCN(P(C)(=O)[O-])[P@@](C)(=O)[O-])P(C)(=O)[O-]	ZINC000005360303	487487767	/nfs/dbraw/zinc/48/77/67/487487767.db2.gz	GYGFHOKBIHKDDB-UHFFFAOYSA-N	-4	1	372.128	0.851	40	0		FCABML
CCOc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1OCC(=O)[O-]	ZINC000006965062	487500744	/nfs/dbraw/zinc/50/07/44/487500744.db2.gz	LUSFJDGSUZPRGW-UHFFFAOYSA-N	-2	1	350.352	0.463	40	0		FCABML
COc1ccc(S(=O)(=O)Nc2ncc(CCC(=O)[O-])c(=O)[n-]2)cc1	ZINC000223448099	488448491	/nfs/dbraw/zinc/44/84/91/488448491.db2.gz	ZJGCDHMZRGRMBX-UHFFFAOYSA-N	-2	1	353.356	0.597	40	0		FCABML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1	ZINC000005023416	534546781	/nfs/dbraw/zinc/54/67/81/534546781.db2.gz	ZJLFNOBPZOMUGQ-UHFFFAOYSA-N	-2	1	361.335	0.715	40	0		FCABML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1O	ZINC000226859998	209369387	/nfs/dbraw/zinc/36/93/87/209369387.db2.gz	NKORXYWKVJZASZ-UHFFFAOYSA-N	-2	1	362.319	0.775	40	0		FCABML
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000013366970	487563251	/nfs/dbraw/zinc/56/32/51/487563251.db2.gz	ZNNZVFFBZSJKAC-UHFFFAOYSA-N	-2	1	374.371	0.972	40	0		FCABML
Cc1cc(S(=O)(=O)N(C)C)ccc1OCc1ncc(C(=O)[O-])c(=O)[n-]1	ZINC000226105183	488451296	/nfs/dbraw/zinc/45/12/96/488451296.db2.gz	SUVVQESXUYIKPX-UHFFFAOYSA-N	-2	1	367.383	0.606	40	0		FCABML
COc1ccc(S(=O)(=O)Nc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1	ZINC000217395148	488442271	/nfs/dbraw/zinc/44/22/71/488442271.db2.gz	PJDVMKDRZYUHMH-UHFFFAOYSA-N	-2	1	353.356	0.515	40	0		FCABML