smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC[C@]1(C)CC(=O)c2ccc([O-])cc2O1	ZINC000043394126	175035109	/nfs/dbraw/zinc/03/51/09/175035109.db2.gz	NGNJBJKCBBENBL-QGZVFWFLSA-N	-1	1	276.376	4.477	1	30		CIEFMM
CCCCCCC[C@@]1(C)CC(=O)c2ccc([O-])cc2O1	ZINC000043394129	175035043	/nfs/dbraw/zinc/03/50/43/175035043.db2.gz	NGNJBJKCBBENBL-KRWDZBQOSA-N	-1	1	276.376	4.477	1	30		CIEFMM
[O-]/N=C/c1c2ccccc2cc2cccc(Cl)c21	ZINC000071261660	327104047	/nfs/dbraw/zinc/10/40/47/327104047.db2.gz	VNDCOFJEHBITIN-RQZCQDPDSA-N	-1	1	255.704	4.455	2	30		CIEFMM
[O-]/N=C(\CSc1ccccc1)c1cccc(Cl)c1	ZINC000095573329	185010002	/nfs/dbraw/zinc/01/00/02/185010002.db2.gz	MOUGJLPKLBCHJW-JQIJEIRASA-N	-1	1	277.776	4.311	1	30		CIEFMM
O=C1c2ccccc2C(=O)C(CCCC2CCCCC2)=C1[O-]	ZINC000005647197	170123732	/nfs/dbraw/zinc/12/37/32/170123732.db2.gz	YWCRDQUBLARYCI-UHFFFAOYSA-N	-1	1	298.382	4.472	1	30		CIEFMM
CC(C)=CCc1c2[nH]c3ccccc3c2cc(/C=N\[O-])c1O	ZINC000072113713	176318420	/nfs/dbraw/zinc/31/84/20/176318420.db2.gz	OTJFBOQDUZJANX-GRSHGNNSSA-N	-1	1	294.354	4.344	1	30		CIEFMM