smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000216744926	563852277	/nfs/dbraw/zinc/85/22/77/563852277.db2.gz	YQXDKIWDCCLRIN-UHFFFAOYSA-N	-1	1	317.414	2.670	40	70		DFIBMM
O=C([O-])[C@@H]1C[C@@H]2c3ccccc3N[C@H]2[C@H](c2cccs2)N1	ZINC000217660380	257131428	/nfs/dbraw/zinc/13/14/28/257131428.db2.gz	XMMRDVWAEOSRGS-BQPHKTIFSA-N	-1	1	300.383	2.814	40	70		DFIBMM
Nc1nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2s1	ZINC000216778682	563852244	/nfs/dbraw/zinc/85/22/44/563852244.db2.gz	YVNHYPKVXDFNSM-UHFFFAOYSA-N	-1	1	323.374	2.818	40	70		DFIBMM
COc1ccc(Sc2n[n-]c(C(F)F)n2)c([N+](=O)[O-])c1	ZINC000216904026	426562059	/nfs/dbraw/zinc/56/20/59/426562059.db2.gz	WQXUVMSKUYLNKR-UHFFFAOYSA-N	-1	1	302.262	2.810	40	70		DFIBMM
Cc1ccc([N-]S(=O)(=O)c2ccc3nc(N)sc3c2)cc1	ZINC000216778940	563852143	/nfs/dbraw/zinc/85/21/43/563852143.db2.gz	NYMQASJFYJJHTO-UHFFFAOYSA-N	-1	1	319.411	2.988	40	70		DFIBMM