smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cncc([O-])c1	ZINC000159482965	332143214	/nfs/dbraw/zinc/14/32/14/332143214.db2.gz	ZAKLQWYQOXEMSQ-QGZVFWFLSA-N	-1	1	312.413	3.579	20	70		DHIDMM
Cc1nc2ccc(-c3nc4ccc(C)cc4c(=O)[n-]3)cc2s1	ZINC000160108247	332761771	/nfs/dbraw/zinc/76/17/71/332761771.db2.gz	JXIILCGBMGYRJQ-UHFFFAOYSA-N	-1	1	307.378	3.817	20	70		DHIDMM
Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000160819852	333667766	/nfs/dbraw/zinc/66/77/66/333667766.db2.gz	IYEMHUJZQMWLFL-UHFFFAOYSA-N	-1	1	317.744	3.727	20	70		DHIDMM
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cncc([O-])c1	ZINC000159482823	332143257	/nfs/dbraw/zinc/14/32/57/332143257.db2.gz	ZAKLQWYQOXEMSQ-KRWDZBQOSA-N	-1	1	312.413	3.579	20	70		DHIDMM
CC(C)c1ccc2nc(-c3ccc4c(c3)ncn4C)[n-]c(=O)c2c1	ZINC000160350509	338547891	/nfs/dbraw/zinc/54/78/91/338547891.db2.gz	PWMXEZDLYVRALQ-UHFFFAOYSA-N	-1	1	318.380	3.600	20	70		DHIDMM