smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccccc2)c(=S)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000013590186	570779846	/nfs/dbraw/zinc/77/98/46/570779846.db2.gz	BNQLKYDIKIDOTN-UVTDQMKNSA-N	-2	1	354.391	3.820	50	10		FHCAML
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000100148716	209210534	/nfs/dbraw/zinc/21/05/34/209210534.db2.gz	AHVYYNOBXFUYOX-GDNBJRDFSA-N	-2	1	355.781	3.757	50	10		FHCAML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000001176349	570488353	/nfs/dbraw/zinc/48/83/53/570488353.db2.gz	LXPWERSRILJZBC-OVCLIPMQSA-N	-2	1	372.471	3.590	50	10		FHCAML
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000100148712	570524330	/nfs/dbraw/zinc/52/43/30/570524330.db2.gz	JPLXEMSPURQRRE-OQLLNIDSSA-N	-2	1	373.771	3.896	50	10		FHCAML
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)[N-]C3=O)o2)c1	ZINC000012428459	207373423	/nfs/dbraw/zinc/37/34/23/207373423.db2.gz	KGMMIKDTDKZXDL-SDQBBNPISA-N	-2	1	365.819	3.787	50	10		FHCAML
O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)[N-]C3=O)o2)cc1Cl	ZINC000004739901	207045504	/nfs/dbraw/zinc/04/55/04/207045504.db2.gz	BPDXJSGRBJYKDO-WUXMJOGZSA-N	-2	1	365.819	3.787	50	10		FHCAML
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000100148720	209210235	/nfs/dbraw/zinc/21/02/35/209210235.db2.gz	AHVYYNOBXFUYOX-XNTDXEJSSA-N	-2	1	355.781	3.757	50	10		FHCAML
O=S(=O)([N-]c1cc(Cl)c([O-])c(Br)c1)c1ccccc1	ZINC000001234492	570496214	/nfs/dbraw/zinc/49/62/14/570496214.db2.gz	FVBXGZVMKYRZFG-UHFFFAOYSA-N	-2	1	362.632	3.609	50	10		FHCAML
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000016160822	211156926	/nfs/dbraw/zinc/15/69/26/211156926.db2.gz	DDLISHIUGJYMHR-YBEGLDIGSA-N	-2	1	355.781	3.757	50	10		FHCAML
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000100535641	222246909	/nfs/dbraw/zinc/24/69/09/222246909.db2.gz	UYCQRORWCCFAQN-MHWRWJLKSA-N	-2	1	355.781	3.757	50	10		FHCAML
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)[N-]C3=O)o2)c1	ZINC000002292994	571316289	/nfs/dbraw/zinc/31/62/89/571316289.db2.gz	KGMMIKDTDKZXDL-WUXMJOGZSA-N	-2	1	365.819	3.787	50	10		FHCAML
O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)[N-]C3=O)o2)ccc1Cl	ZINC000002303462	571317382	/nfs/dbraw/zinc/31/73/82/571317382.db2.gz	VJSXJBRRUVDPIT-WUXMJOGZSA-N	-2	1	365.819	3.787	50	10		FHCAML
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000015930648	220172281	/nfs/dbraw/zinc/17/22/81/220172281.db2.gz	JPLXEMSPURQRRE-DHDCSXOGSA-N	-2	1	373.771	3.896	50	10		FHCAML