smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(Cl)c([O-])c2)c1	ZINC000065343604	304223700	/nfs/dbraw/zinc/22/37/00/304223700.db2.gz	FHIKYRZCWZFFOQ-UHFFFAOYSA-N	-3	1	292.674	3.109	10	0		CGAEML
O=C([O-])CCCc1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000000020901	368270886	/nfs/dbraw/zinc/27/08/86/368270886.db2.gz	CTSNJCQIDJAIJL-UHFFFAOYSA-N	-2	1	299.326	3.052	10	0		CGAEML
CCO[P@](=O)([O-])CCCCCCCCCC(=O)[O-]	ZINC000141797365	346109239	/nfs/dbraw/zinc/10/92/39/346109239.db2.gz	MTBFIHMQGBTZSJ-UHFFFAOYSA-N	-2	1	280.301	3.414	10	0		CGAEML
O=C([O-])Cc1c([O-])c(C(F)(F)F)ccc1C(F)(F)F	ZINC000575381607	377892605	/nfs/dbraw/zinc/89/26/05/377892605.db2.gz	QLAVFRLWCZFWKD-UHFFFAOYSA-N	-2	1	288.143	3.057	10	0		CGAEML
O=C([O-])Cc1ccc([O-])c(C(F)(F)F)c1C(F)(F)F	ZINC000514276404	346637906	/nfs/dbraw/zinc/63/79/06/346637906.db2.gz	UMEICIWVZQQCER-UHFFFAOYSA-N	-2	1	288.143	3.057	10	0		CGAEML
O=C([O-])Cc1cc(C(F)(F)F)cc([O-])c1C(F)(F)F	ZINC000514274771	346637481	/nfs/dbraw/zinc/63/74/81/346637481.db2.gz	MPMQMBDXGYOITO-UHFFFAOYSA-N	-2	1	288.143	3.057	10	0		CGAEML
O=C([O-])c1cc(C(F)F)c([O-])c(C(F)(F)F)c1	ZINC000575669776	377947205	/nfs/dbraw/zinc/94/72/05/377947205.db2.gz	NNNSLOISMPQKMB-UHFFFAOYSA-N	-2	1	256.126	3.047	10	0		CGAEML
CC(C)CC(=O)c1c([O-])cc(O)c(C(=O)CC(C)C)c1O	ZINC000000005641	368269458	/nfs/dbraw/zinc/26/94/58/368269458.db2.gz	FKOJGSQCIDUOCC-UHFFFAOYSA-N	-2	1	294.347	3.261	10	0		CGAEML
O=C([O-])Cc1cc(C(F)(F)F)c([O-])cc1C(F)(F)F	ZINC000514274849	346637458	/nfs/dbraw/zinc/63/74/58/346637458.db2.gz	SZMSGBRLGCOTKV-UHFFFAOYSA-N	-2	1	288.143	3.057	10	0		CGAEML
O=C([O-])Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1[O-]	ZINC000575381331	377892981	/nfs/dbraw/zinc/89/29/81/377892981.db2.gz	KNWNPVWQNXYWSM-UHFFFAOYSA-N	-2	1	288.143	3.057	10	0		CGAEML
O=C([O-])c1ccc(C(F)F)c([O-])c1C(F)(F)F	ZINC000575669756	377946104	/nfs/dbraw/zinc/94/61/04/377946104.db2.gz	MUDBZDSAJJVRFP-UHFFFAOYSA-N	-2	1	256.126	3.047	10	0		CGAEML
O=C([O-])c1ccc(-c2cc(F)c([O-])c(F)c2)cc1	ZINC000027195792	368869174	/nfs/dbraw/zinc/86/91/74/368869174.db2.gz	KIMOZMMFUGGOMJ-UHFFFAOYSA-N	-2	1	250.200	3.036	10	0		CGAEML
O=C([O-])c1cc([O-])c(C(F)(F)F)c(C(F)(F)F)c1	ZINC000575339873	377881066	/nfs/dbraw/zinc/88/10/66/377881066.db2.gz	FHXRNBOTKNUUKZ-UHFFFAOYSA-N	-2	1	274.116	3.128	10	0		CGAEML
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc([O-])c(Cl)c2)c1	ZINC000065343603	304223745	/nfs/dbraw/zinc/22/37/45/304223745.db2.gz	OFAWZTHNQQIVPZ-UHFFFAOYSA-N	-3	1	292.674	3.109	10	0		CGAEML
O=C([O-])Cc1cc([O-])c(C(F)(F)F)c(C(F)(F)F)c1	ZINC000575340441	377882694	/nfs/dbraw/zinc/88/26/94/377882694.db2.gz	CJOLDQNDKJWVJW-UHFFFAOYSA-N	-2	1	288.143	3.057	10	0		CGAEML
O=C([O-])c1ccc(NCc2ccc([O-])c(Cl)c2)cc1	ZINC000044422139	175174245	/nfs/dbraw/zinc/17/42/45/175174245.db2.gz	RRSUSPOAZMPGOU-UHFFFAOYSA-N	-2	1	277.707	3.356	10	0		CGAEML
O=C([O-])c1cc(C(F)(F)F)cc([O-])c1C(F)(F)F	ZINC000514271883	346636843	/nfs/dbraw/zinc/63/68/43/346636843.db2.gz	CVYIMCGURDPMAD-UHFFFAOYSA-N	-2	1	274.116	3.128	10	0		CGAEML
O=C([O-])c1cccc(-c2cc(F)c([O-])c(F)c2)c1	ZINC000027206487	368869086	/nfs/dbraw/zinc/86/90/86/368869086.db2.gz	SUIOGSIZLAADPT-UHFFFAOYSA-N	-2	1	250.200	3.036	10	0		CGAEML