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)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)[N-]C(=O)N(C)C4=O)[C@@H]3C2)cc1	ZINC000012461832	553367015	/nfs/dbraw/zinc/36/70/15/553367015.db2.gz	NKQWHYLOZUZCQL-WMZHIEFXSA-N	-1	1	513.532	1.033	50	5		KDBAMM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(NCCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000013610576	553477800	/nfs/dbraw/zinc/47/78/00/553477800.db2.gz	NKLFADDSQYYDKV-UHFFFAOYSA-N	-1	1	508.509	1.926	50	5		KDBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)[N-]C(=O)N(C)C4=O)[C@H]3C2)cc1	ZINC000014943758	553521741	/nfs/dbraw/zinc/52/17/41/553521741.db2.gz	NKQWHYLOZUZCQL-XXBNENTESA-N	-1	1	513.532	1.033	50	5		KDBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)[N-]C(=O)N(C)C4=O)[C@H]3C2)cc1	ZINC000014943759	553521678	/nfs/dbraw/zinc/52/16/78/553521678.db2.gz	NKQWHYLOZUZCQL-AUSIDOKSSA-N	-1	1	513.532	1.033	50	5		KDBAMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	ZINC000020534559	553670959	/nfs/dbraw/zinc/67/09/59/553670959.db2.gz	OZADCHNIYIKNNH-UHFFFAOYSA-N	-1	1	509.551	1.366	50	5		KDBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)[N-]C(=S)N(C)C4=O)[C@@H]3C2)cc1	ZINC000100218416	554251466	/nfs/dbraw/zinc/25/14/66/554251466.db2.gz	GAHYAZWJNGCKCR-WMZHIEFXSA-N	-1	1	529.600	1.198	50	5		KDBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)[N-]C(=O)N(C)C4=O)[C@@H]3C2)cc1	ZINC000103018664	555210795	/nfs/dbraw/zinc/21/07/95/555210795.db2.gz	NKQWHYLOZUZCQL-CVDCTZTESA-N	-1	1	513.532	1.033	50	5		KDBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)[N-]C(=S)N(C)C4=O)[C@@H]3C2)cc1	ZINC000169678508	571555741	/nfs/dbraw/zinc/55/57/41/571555741.db2.gz	GAHYAZWJNGCKCR-CVDCTZTESA-N	-1	1	529.600	1.198	50	5		KDBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)[N-]C(=S)N(C)C4=O)[C@H]3C2)cc1	ZINC000245255195	572222137	/nfs/dbraw/zinc/22/21/37/572222137.db2.gz	GAHYAZWJNGCKCR-AUSIDOKSSA-N	-1	1	529.600	1.198	50	5		KDBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)[N-]C(=S)N(C)C4=O)[C@H]3C2)cc1	ZINC000245255196	572221931	/nfs/dbraw/zinc/22/19/31/572221931.db2.gz	GAHYAZWJNGCKCR-XXBNENTESA-N	-1	1	529.600	1.198	50	5		KDBAMM