smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2ccccc2)oc2c(CN3CCCC3)c([O-])c(O)c([O-])c12	ZINC000040917458	205085120	/nfs/dbraw/zinc/08/51/20/205085120.db2.gz	ZFFYRARIZRJGOO-UHFFFAOYSA-N	-2	3	353.374	3.173	1	10		FGCFHL
O=C([O-])c1cc2ccc([O-])c3oc4cc(O)c(O)cc4c(c1C(=O)[O-])c23	ZINC000059587126	291073503	/nfs/dbraw/zinc/07/35/03/291073503.db2.gz	QOTFGJCGDWMTEX-UHFFFAOYSA-N	-3	3	354.270	3.252	1	10	biogenic,in-vitro	FGCFHL
Cc1cc(C)c([C@@H](O)c2nc(C(=O)[O-])cc3cc([O-])c(O)cc32)c(C)c1	ZINC000013490156	211035415	/nfs/dbraw/zinc/03/54/15/211035415.db2.gz	DFXPACOPQZCCMY-LJQANCHMSA-N	-2	3	353.374	3.351	1	10		FGCFHL
Cc1cc(C)c([C@@H](O)c2nc(C(=O)[O-])cc3cc(O)c([O-])cc32)c(C)c1	ZINC000013490156	211035420	/nfs/dbraw/zinc/03/54/20/211035420.db2.gz	DFXPACOPQZCCMY-LJQANCHMSA-N	-2	3	353.374	3.351	1	10		FGCFHL
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1cc(Cl)ccc1[O-]	ZINC000045285758	220968329	/nfs/dbraw/zinc/96/83/29/220968329.db2.gz	MGHBKGKQOPBRSS-CMPLNLGQSA-N	-2	3	359.831	3.481	1	10		FGCFHL
O=S(=O)([N-]c1cc(F)c([O-])c(F)c1)c1ccc(N2CCCC2)cc1	ZINC000064454132	221146691	/nfs/dbraw/zinc/14/66/91/221146691.db2.gz	QPXMATDIUQDPJT-UHFFFAOYSA-N	-2	3	354.378	3.071	1	10		FGCFHL
Cc1cc(C)c([C@H](O)c2nc(C(=O)[O-])cc3cc([O-])c(O)cc32)c(C)c1	ZINC000013490157	220070212	/nfs/dbraw/zinc/07/02/12/220070212.db2.gz	DFXPACOPQZCCMY-IBGZPJMESA-N	-2	3	353.374	3.351	1	10		FGCFHL
Cc1cc(C)c([C@H](O)c2nc(C(=O)[O-])cc3cc(O)c([O-])cc32)c(C)c1	ZINC000013490157	220070216	/nfs/dbraw/zinc/07/02/16/220070216.db2.gz	DFXPACOPQZCCMY-IBGZPJMESA-N	-2	3	353.374	3.351	1	10		FGCFHL
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1cc(Cl)ccc1[O-]	ZINC000045285760	205119689	/nfs/dbraw/zinc/11/96/89/205119689.db2.gz	MGHBKGKQOPBRSS-JQWIXIFHSA-N	-2	3	359.831	3.481	1	10		FGCFHL
Nc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3ccccc3O)c2)c1	ZINC000035000936	208117145	/nfs/dbraw/zinc/11/71/45/208117145.db2.gz	NPANFVHAWOBQEB-UHFFFAOYSA-N	-2	3	356.403	3.148	1	10		FGCFHL
Cc1c([O-])c(C(=O)CC(C)C)c2c(c1[O-])C(=O)c1cccc([O-])c1C2=O	ZINC000095575365	209082045	/nfs/dbraw/zinc/08/20/45/209082045.db2.gz	JSBZNSHTZGINIT-UHFFFAOYSA-N	-3	3	354.358	3.116	1	10		FGCFHL
CC(C)=CCc1c(O)c([O-])ccc1-c1oc2cc([O-])c(O)cc2c(=O)c1O	ZINC000014648331	560101115	/nfs/dbraw/zinc/10/11/15/560101115.db2.gz	NACBYUYHTLUWAI-UHFFFAOYSA-N	-2	3	370.357	3.497	1	10	endogenous,in-man	FGCFHL
CCCC/C=C/c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000013374856	210180797	/nfs/dbraw/zinc/18/07/97/210180797.db2.gz	RTXQNGWQTJTHCK-AATRIKPKSA-N	-2	3	354.358	3.488	1	10		FGCFHL
CC(C)C(=O)Oc1cc([O-])cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c12	ZINC000064454033	212039087	/nfs/dbraw/zinc/03/90/87/212039087.db2.gz	PQFJRDPDYDMRGJ-UHFFFAOYSA-N	-2	3	356.330	3.138	1	10		FGCFHL
O=C(OCc1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O)c1ccccc1	ZINC000103235118	222327782	/nfs/dbraw/zinc/32/77/82/222327782.db2.gz	MSPWCCZZOGHZHE-UHFFFAOYSA-N	-2	3	374.348	3.230	1	10		FGCFHL
COc1c(=O)c2c([O-])c(C)c([O-])c(C)c2oc1Oc1ccc(O)c(O)c1	ZINC000095486286	291070148	/nfs/dbraw/zinc/07/01/48/291070148.db2.gz	QFSVMALFWLWANL-UHFFFAOYSA-N	-2	3	360.318	3.033	1	10	biogenic,in-vitro	FGCFHL
COc1cc([O-])c2c(c1)C(=O)c1cc(OC)c(CC=C(C)C)c([O-])c1C2=O	ZINC000069482539	291070800	/nfs/dbraw/zinc/07/08/00/291070800.db2.gz	JQJKOHAQEAORRU-UHFFFAOYSA-N	-2	3	368.385	3.399	1	10	biogenic,in-vitro	FGCFHL