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-])[C@@H]1Nc2ccc(C(=O)Oc3ccc4ccccc4c3)cc2[C@H]2C=CC[C@H]21	ZINC000004818933	204078974	/nfs/dbraw/zinc/07/89/74/204078974.db2.gz	ANBUMOGSYDQGMP-NNMXDRDESA-N	-1	0	385.419	4.597	1	10		GJCFRM
O=C([O-])[C@H]1Nc2ccc(C(=O)Oc3ccc4ccccc4c3)cc2[C@H]2C=CC[C@H]21	ZINC000088771455	211179113	/nfs/dbraw/zinc/17/91/13/211179113.db2.gz	ANBUMOGSYDQGMP-JQVVWYNYSA-N	-1	0	385.419	4.597	1	10		GJCFRM
O=C([O-])[C@@H]1Nc2ccc(C(=O)Oc3ccc4ccccc4c3)cc2[C@H]2C=CC[C@@H]21	ZINC000004818929	204079963	/nfs/dbraw/zinc/07/99/63/204079963.db2.gz	ANBUMOGSYDQGMP-CNNODRBYSA-N	-1	0	385.419	4.597	1	10		GJCFRM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc(O)c1	ZINC000017414003	210209426	/nfs/dbraw/zinc/20/94/26/210209426.db2.gz	PNRJHXQNMQTJEC-KYAFNBKBSA-N	-1	0	391.456	4.699	1	10		GJCFRM
O=c1cc([O-])n(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)c(Cl)c1	ZINC000100488797	209243619	/nfs/dbraw/zinc/24/36/19/209243619.db2.gz	KBOPONVQGFIHKE-UHFFFAOYSA-N	-1	0	390.053	4.985	1	10		GJCFRM
O=c1cc2oc3cc([O-])c(O)cc3c(-c3cccc(Cl)c3Cl)c-2cc1O	ZINC000004904223	581098948	/nfs/dbraw/zinc/09/89/48/581098948.db2.gz	BQORZESIOCMVDH-UHFFFAOYSA-N	-1	0	389.190	4.988	1	10		GJCFRM
CC(C)N(c1cc2c(cc1Cl)C=C(C(=O)[O-])[C@H](C(F)(F)F)O2)C(C)C	ZINC000066252596	222139070	/nfs/dbraw/zinc/13/90/70/222139070.db2.gz	YOHLWAAJAOZBKF-OAHLLOKOSA-N	-1	0	377.790	4.755	1	10		GJCFRM
CC(C)=CCc1c([O-])c(O)cc2c(=O)c3c(O)c4c(cc3oc21)O[C@@H](C)C4(C)C	ZINC000013412048	212116221	/nfs/dbraw/zinc/11/62/21/212116221.db2.gz	ZYJVDWWKUSJAQY-NSHDSACASA-N	-1	0	396.439	4.630	1	10	in-vivo	GJCFRM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1O	ZINC000017748317	221385155	/nfs/dbraw/zinc/38/51/55/221385155.db2.gz	MMXLXKHLGDUTHT-KYAFNBKBSA-N	-1	0	391.456	4.699	1	10		GJCFRM
CC(C)N(c1cc2c(cc1Cl)C=C(C(=O)[O-])[C@@H](C(F)(F)F)O2)C(C)C	ZINC000066252597	222139232	/nfs/dbraw/zinc/13/92/32/222139232.db2.gz	YOHLWAAJAOZBKF-HNNXBMFYSA-N	-1	0	377.790	4.755	1	10		GJCFRM
O=C(c1ccccc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1[O-]	ZINC000028463560	207341705	/nfs/dbraw/zinc/34/17/05/207341705.db2.gz	NPMZQOVYGROOGN-UXBLZVDNSA-N	-1	0	383.403	4.753	1	10		GJCFRM