smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2c(Cl)c(Cl)c([O-])c3ccccc32)cc1	ZINC000017779290	570712532	/nfs/dbraw/zinc/71/25/32/570712532.db2.gz	OWGXKQOZTOWCSV-UHFFFAOYSA-N	-2	3	382.268	4.961	50	10		GJCAHL
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc([O-])c1	ZINC000100345514	211386929	/nfs/dbraw/zinc/38/69/29/211386929.db2.gz	PNRJHXQNMQTJEC-KGNHYALCSA-N	-2	3	391.456	4.699	50	10		GJCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c([O-])c(Br)c2C)cc1	ZINC000000947562	570734750	/nfs/dbraw/zinc/73/47/50/570734750.db2.gz	ZPVDAIJZXCHODG-UHFFFAOYSA-N	-2	3	398.322	4.696	50	10		GJCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c3ccccc23)cc1C	ZINC000001131688	570245912	/nfs/dbraw/zinc/24/59/12/570245912.db2.gz	SAQVFKHUPWIQSZ-UHFFFAOYSA-N	-2	3	375.877	4.925	50	10		GJCAHL
O=S(=O)([N-]c1ccc([O-])c(-c2c(O)ccc3ccccc32)c1)c1cccs1	ZINC000000793392	560178670	/nfs/dbraw/zinc/17/86/70/560178670.db2.gz	NYXDSXZBPWSAFA-UHFFFAOYSA-N	-2	3	397.477	4.780	50	10	in-vitro	GJCAHL
O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1Cl)c1ccc(Cl)cc1	ZINC000000828902	212186415	/nfs/dbraw/zinc/18/64/15/212186415.db2.gz	RSKVWTKRRPOKTF-UHFFFAOYSA-N	-2	3	387.071	4.807	50	10		GJCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)cc1	ZINC000020897069	221517848	/nfs/dbraw/zinc/51/78/48/221517848.db2.gz	WUJZHQNWSQMWNH-UHFFFAOYSA-N	-2	3	394.452	4.618	50	10		GJCAHL
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc([O-])c1	ZINC000100345518	208377392	/nfs/dbraw/zinc/37/73/92/208377392.db2.gz	PNRJHXQNMQTJEC-CCWVLBSLSA-N	-2	3	391.456	4.699	50	10		GJCAHL
CCc1ccc2oc(-c3cc([N-]S(=O)(=O)c4ccccc4)ccc3[O-])nc2c1	ZINC000008991566	221067863	/nfs/dbraw/zinc/06/78/63/221067863.db2.gz	WGIBSXXVUQISQG-UHFFFAOYSA-N	-2	3	394.452	4.564	50	10		GJCAHL
Cc1ccc2[n-]c(=N[N-]C(=S)Nc3ccccc3)nc(-c3ccccc3)c2c1	ZINC000001295472	212233606	/nfs/dbraw/zinc/23/36/06/212233606.db2.gz	KFKZPNNZOPIWNE-UHFFFAOYSA-N	-2	3	385.496	4.919	50	10		GJCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1	ZINC000000638390	212168871	/nfs/dbraw/zinc/16/88/71/212168871.db2.gz	DWAGBYCBADIBTR-UHFFFAOYSA-N	-2	3	396.493	4.778	50	10		GJCAHL
Cc1cc2nc(-c3cc([N-]S(=O)(=O)c4ccccc4)ccc3[O-])oc2c(C)c1	ZINC000013690344	221281986	/nfs/dbraw/zinc/28/19/86/221281986.db2.gz	HPDKCHVQXQAABO-UHFFFAOYSA-N	-2	3	394.452	4.618	50	10		GJCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c([O-])c(Br)c2C(C)C)cc1	ZINC000000947567	570734605	/nfs/dbraw/zinc/73/46/05/570734605.db2.gz	FCCSIHXPWIXCGW-UHFFFAOYSA-N	-2	3	398.322	4.696	50	10		GJCAHL