smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1[nH]c(=S)[n-]c(=O)c1C(c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1c(N)[nH]c(=S)[n-]c1=O	ZINC000008636904	553105607	/nfs/dbraw/zinc/10/56/07/553105607.db2.gz	YXGBMRCQYUMKNO-UHFFFAOYSA-N	-2	3	561.609	3.284	50	5		KGBAHL
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000009360589	553248291	/nfs/dbraw/zinc/24/82/91/553248291.db2.gz	WDNXYEDIYPHMHU-ZLNRFVROSA-N	-2	3	519.466	3.361	50	5		KGBAHL
O=c1oc2cc(S(=O)(=O)[N-]c3ccncc3)ccc2c2ccc(S(=O)(=O)[N-]c3ccncc3)cc21	ZINC000009489583	553273223	/nfs/dbraw/zinc/27/32/23/553273223.db2.gz	YGOPMQIIAUVCJV-UHFFFAOYSA-N	-2	3	508.537	3.338	50	5		KGBAHL
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000013751884	553488074	/nfs/dbraw/zinc/48/80/74/553488074.db2.gz	KYEKUJPSDLTDEW-XJUOHMSHSA-N	-2	3	519.466	3.361	50	5		KGBAHL
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000013806393	553491799	/nfs/dbraw/zinc/49/17/99/553491799.db2.gz	WDNXYEDIYPHMHU-ZRBLBEILSA-N	-2	3	519.466	3.361	50	5		KGBAHL
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000096787032	553757312	/nfs/dbraw/zinc/75/73/12/553757312.db2.gz	KYEKUJPSDLTDEW-XPNTWCBSSA-N	-2	3	519.466	3.361	50	5		KGBAHL
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000102725730	555021522	/nfs/dbraw/zinc/02/15/22/555021522.db2.gz	KYEKUJPSDLTDEW-QZNHQXDQSA-N	-2	3	519.466	3.361	50	5		KGBAHL
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000102725736	555021555	/nfs/dbraw/zinc/02/15/55/555021555.db2.gz	KYEKUJPSDLTDEW-MQSCRBSSSA-N	-2	3	519.466	3.361	50	5		KGBAHL
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102762989	555053326	/nfs/dbraw/zinc/05/33/26/555053326.db2.gz	WDNXYEDIYPHMHU-DNVJHFABSA-N	-2	3	519.466	3.361	50	5		KGBAHL
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000137926115	571450814	/nfs/dbraw/zinc/45/08/14/571450814.db2.gz	WDNXYEDIYPHMHU-YTFSRNRJSA-N	-2	3	519.466	3.361	50	5		KGBAHL
CC1=C(C(=O)OCCNC(=O)c2ccccc2[O-])C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2ccccc2[O-])=C(C)N1	ZINC000150448668	571501764	/nfs/dbraw/zinc/50/17/64/571501764.db2.gz	IEDZOHJJILPBBC-UHFFFAOYSA-N	-2	3	644.637	3.187	50	5		KGBAHL