smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2snnc2-c2cc(Cl)c([O-])cc2[O-])cc1	ZINC000040380039	183058294	/nfs/dbraw/zinc/05/82/94/183058294.db2.gz	QVCCDDRAHNCHNO-UHFFFAOYSA-N	-2	3	318.785	4.245	1	0		DIAFHL
CC(C)=Cc1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc12	ZINC000072179316	191071050	/nfs/dbraw/zinc/07/10/50/191071050.db2.gz	JKAFHTNAKXHGPV-UHFFFAOYSA-N	-2	3	308.333	4.294	1	0		DIAFHL
CC(C)=CCc1c([O-])cc([O-])c2c(-c3ccccc3)cc(=O)oc12	ZINC000013334641	181845337	/nfs/dbraw/zinc/84/53/37/181845337.db2.gz	SRGRDIADLLPPQM-UHFFFAOYSA-N	-2	3	322.360	4.380	1	0		DIAFHL
O=C(c1ccc(-c2cccc([O-])c2F)s1)c1cccc([O-])c1	ZINC000064453494	184297640	/nfs/dbraw/zinc/29/76/40/184297640.db2.gz	RDAJIOLTWQMUSV-UHFFFAOYSA-N	-2	3	314.337	4.196	1	0		DIAFHL
[O-]c1cc2nc(-c3ccc([O-])c(F)c3)oc2c(-c2ccoc2)c1	ZINC000040379798	183057800	/nfs/dbraw/zinc/05/78/00/183057800.db2.gz	PMEDEVSIFGXLCC-UHFFFAOYSA-N	-2	3	311.268	4.305	1	0		DIAFHL
CCOc1cccc2c([O-])c(-c3occ(C)c3C(=O)[O-])ccc12	ZINC000040828475	183138512	/nfs/dbraw/zinc/13/85/12/183138512.db2.gz	JPMPOZUEQZTRNU-UHFFFAOYSA-N	-2	3	312.321	4.211	1	0		DIAFHL
O=C(c1ccc(-c2ccc(F)c([O-])c2)s1)c1cccc([O-])c1	ZINC000064426678	184296426	/nfs/dbraw/zinc/29/64/26/184296426.db2.gz	KRNODWSUZPVKGS-UHFFFAOYSA-N	-2	3	314.337	4.196	1	0		DIAFHL
CCCc1cc([O-])c(Oc2ccc(C(=O)[O-])cc2Cl)c(O)c1	ZINC000064564738	184300381	/nfs/dbraw/zinc/30/03/81/184300381.db2.gz	ROSDUOFIFVJADD-UHFFFAOYSA-N	-2	3	322.744	4.194	1	0		DIAFHL
O=c1cc(-c2ccccc2)oc2c(-c3ccoc3)c([O-])cc([O-])c12	ZINC000072118047	191039109	/nfs/dbraw/zinc/03/91/09/191039109.db2.gz	NHXWORJHSXSXFU-UHFFFAOYSA-N	-2	3	320.300	4.131	1	0		DIAFHL
CC(C)=Cc1c([O-])cc2oc(-c3ccccc3)cc(=O)c2c1[O-]	ZINC000072181378	191072070	/nfs/dbraw/zinc/07/20/70/191072070.db2.gz	CLIHYJNFNZIHLT-UHFFFAOYSA-N	-2	3	308.333	4.294	1	0		DIAFHL