smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000033584428	569360226	/nfs/dbraw/zinc/36/02/26/569360226.db2.gz	WPIPSDCBFYBKLV-NDENLUEZSA-N	-2	1	415.449	3.562	40	10		HHCBML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21	ZINC000100062294	560723816	/nfs/dbraw/zinc/72/38/16/560723816.db2.gz	GQCUEANXEKPQGU-KHOFPDMRSA-N	-2	1	424.438	3.667	40	10		HHCBML
CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1	ZINC000408901175	560651348	/nfs/dbraw/zinc/65/13/48/560651348.db2.gz	WQCQWZDJYVOOFQ-WJDWOHSUSA-N	-2	1	414.845	3.891	40	10		HHCBML
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000033286661	568696758	/nfs/dbraw/zinc/69/67/58/568696758.db2.gz	PPBFKXWXYVMANR-VGOFMYFVSA-N	-2	1	417.874	3.543	40	10		HHCBML
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408530231	557298069	/nfs/dbraw/zinc/29/80/69/557298069.db2.gz	LLGWRTKANYBAEK-YVLHZVERSA-N	-2	1	415.492	3.851	40	10		HHCBML
Cc1ccc(N2[N-]C(=O)/C(=C/c3cc(Cl)cc(Br)c3[O-])C2=O)cc1	ZINC000005751388	557672961	/nfs/dbraw/zinc/67/29/61/557672961.db2.gz	SQWMBMSHOVZOBC-QPEQYQDCSA-N	-2	1	407.651	3.578	40	10		HHCBML
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000034707131	569360624	/nfs/dbraw/zinc/36/06/24/569360624.db2.gz	UEDWPHFUAGTIHR-MOSHPQCFSA-N	-2	1	415.449	3.562	40	10		HHCBML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21	ZINC000104370016	559160632	/nfs/dbraw/zinc/16/06/32/559160632.db2.gz	GQCUEANXEKPQGU-UGNPLGLKSA-N	-2	1	424.438	3.667	40	10		HHCBML
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1	ZINC000408896649	560650846	/nfs/dbraw/zinc/65/08/46/560650846.db2.gz	GWLIDCDODPQUKV-GDNBJRDFSA-N	-2	1	400.818	3.501	40	10		HHCBML
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000108926915	569361304	/nfs/dbraw/zinc/36/13/04/569361304.db2.gz	HINOVCMHBOLYRO-MOSHPQCFSA-N	-2	1	415.449	3.562	40	10		HHCBML
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000016268300	559078570	/nfs/dbraw/zinc/07/85/70/559078570.db2.gz	PPBFKXWXYVMANR-AUWJEWJLSA-N	-2	1	417.874	3.543	40	10		HHCBML
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000016160817	558774234	/nfs/dbraw/zinc/77/42/34/558774234.db2.gz	FMZRQJNPWFRMSI-YBEGLDIGSA-N	-2	1	400.232	3.866	40	10		HHCBML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21	ZINC000104370022	559160617	/nfs/dbraw/zinc/16/06/17/559160617.db2.gz	GQCUEANXEKPQGU-ZREAOVPFSA-N	-2	1	424.438	3.667	40	10		HHCBML
O=C([O-])CCSc1cc([N-]S(=O)(=O)c2ccccc2)c2ccccc2c1O	ZINC000005516228	960735692	/nfs/dbraw/zinc/73/56/92/960735692.db2.gz	QJZOCSSVLNWQAI-UHFFFAOYSA-N	-2	1	403.481	3.913	40	10		HHCBML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21	ZINC000100062297	560723801	/nfs/dbraw/zinc/72/38/01/560723801.db2.gz	GQCUEANXEKPQGU-VEGAHXMMSA-N	-2	1	424.438	3.667	40	10		HHCBML