smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl	ZINC000790392874	1078013678	/nfs/dbraw/zinc/01/36/78/1078013678.db2.gz	CCRKQQXJPFJMQT-UHFFFAOYSA-N	-1	2	413.810	2.999	20	30		HFEDLM
CN1C/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C(=O)/C(=C\c2cc(O)ccc2[N+](=O)[O-])C1	ZINC000772802080	1077910308	/nfs/dbraw/zinc/91/03/08/1077910308.db2.gz	KKMRKCFRKXBQSY-LRSUZXNRSA-N	-1	2	411.370	2.896	20	30		HFEDLM
Cc1c(Br)c(C)n(NC(=O)c2cc(F)cc(Cl)c2[O-])c(=O)c1C#N	ZINC000791172710	1077326936	/nfs/dbraw/zinc/32/69/36/1077326936.db2.gz	ITLJQNBFZWIBDH-UHFFFAOYSA-N	-1	2	414.618	2.981	20	30		HFEDLM
N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1	ZINC000792699453	1077977800	/nfs/dbraw/zinc/97/78/00/1077977800.db2.gz	VCXQNXLKNYWGOG-UHFFFAOYSA-N	-1	2	402.306	2.661	20	30		HFEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl	ZINC000790395288	1078009004	/nfs/dbraw/zinc/00/90/04/1078009004.db2.gz	SUZCZPYYWUAQTM-UHFFFAOYSA-N	-1	2	413.810	2.999	20	30		HFEDLM
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000793416046	1078163583	/nfs/dbraw/zinc/16/35/83/1078163583.db2.gz	NSOQZGBRKAZEBV-UHFFFAOYSA-N	-1	2	418.381	2.830	20	30		HFEDLM
COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2OCC#N)cc1C(=O)[O-]	ZINC000790397358	1078025168	/nfs/dbraw/zinc/02/51/68/1078025168.db2.gz	CXGLKXUZQAUYOE-UHFFFAOYSA-N	-1	2	414.798	2.889	20	30		HFEDLM
O=C([O-])c1c(F)cc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F	ZINC000793985949	1078356935	/nfs/dbraw/zinc/35/69/35/1078356935.db2.gz	GMMGMOYOVDZIFB-UHFFFAOYSA-N	-1	2	417.258	2.837	20	30		HFEDLM
CN1C/C(=C\c2cc([O-])ccc2[N+](=O)[O-])C(=O)/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1	ZINC000772802084	1077910319	/nfs/dbraw/zinc/91/03/19/1077910319.db2.gz	KKMRKCFRKXBQSY-MKFXEVHTSA-N	-1	2	411.370	2.896	20	30		HFEDLM