smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1[C@@H]2C=C[C@H]1[C@@H](C(=O)[O-])[C@@H]2c1c2ccc([O-])c(O)c2oc2c(O)c(=O)ccc1-2	ZINC000013099307	210050813	/nfs/dbraw/zinc/05/08/13/210050813.db2.gz	BSAMRWOMXJWVCE-IVURVGKYSA-N	-2	0	394.379	3.251	1	10		GGCFRL
O=C([O-])[C@@H](C(=O)C(=O)[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000001616409	212250889	/nfs/dbraw/zinc/25/08/89/212250889.db2.gz	ZXNIDWWQGOKFMH-OKILXGFUSA-N	-2	0	395.194	3.168	1	10		GGCFRL
O=C([O-])[C@H](C(=O)C(=O)[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000001616411	212250685	/nfs/dbraw/zinc/25/06/85/212250685.db2.gz	ZXNIDWWQGOKFMH-KBPBESRZSA-N	-2	0	395.194	3.168	1	10		GGCFRL
CC1=NC(=NNc2ccc(C(=O)[O-])cc2)C2=C(CO[P@@](=O)([O-])OC2)C1=O	ZINC000013861580	221291765	/nfs/dbraw/zinc/29/17/65/221291765.db2.gz	KLTOCDPOEZRFBY-ISLYRVAYSA-N	-2	0	379.265	3.356	1	10		GGCFRL
O=C([O-])[C@@H](C(=O)C(=O)[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000001616410	570266059	/nfs/dbraw/zinc/26/60/59/570266059.db2.gz	ZXNIDWWQGOKFMH-ZIAGYGMSSA-N	-2	0	395.194	3.168	1	10		GGCFRL