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=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)[O-])cc3c(c2o1)C(=O)c1c([O-])ccc(O)c1C3=O	ZINC000013890832	560220898	/nfs/dbraw/zinc/22/08/98/560220898.db2.gz	MAUMGBVGKFVQCP-NAVFIMFESA-N	-2	3	462.410	2.797	1	10	in-vitro	JFCFHL
CC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000043017473	563164650	/nfs/dbraw/zinc/16/46/50/563164650.db2.gz	XKGBUNYEHBIEOX-KRWDZBQOSA-N	-2	3	491.452	2.935	1	10		JFCFHL
CC(=O)N[C@@H](CC(C)C)C(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000043067935	563166157	/nfs/dbraw/zinc/16/61/57/563166157.db2.gz	ALSFDKWGHNLCFB-AWEZNQCLSA-N	-2	3	457.435	2.739	1	10		JFCFHL
COc1cc([O-])c(-c2c(CO)cc([O-])c3c2C(=O)c2cccc([O-])c2C3=O)c(O)c1C(C)=O	ZINC000015249257	563011410	/nfs/dbraw/zinc/01/14/10/563011410.db2.gz	XBZFXAYXSQAPPD-UHFFFAOYSA-N	-3	3	450.399	2.655	1	10		JFCFHL
COc1c(C(C)=O)c(O)cc([O-])c1-c1c(CO)cc([O-])c2c1C(=O)c1cccc([O-])c1C2=O	ZINC000015249254	563011480	/nfs/dbraw/zinc/01/14/80/563011480.db2.gz	KUDYATBIEOTCGT-UHFFFAOYSA-N	-3	3	450.399	2.655	1	10	in-vitro	JFCFHL
CC(=O)Cc1cc2c(c(O)c1C(=O)[O-])-c1cc3c(c([O-])c1CC2)C(=O)c1c(O)cc([O-])cc1C3=O	ZINC000014724660	560225167	/nfs/dbraw/zinc/22/51/67/560225167.db2.gz	ODDJKDDLIBUZMH-UHFFFAOYSA-N	-3	3	474.421	2.880	1	10	in-vitro	JFCFHL
CC(C)(C)OC(=O)NCC(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000043077797	563166803	/nfs/dbraw/zinc/16/68/03/563166803.db2.gz	DNLICNRXPVSIFQ-UHFFFAOYSA-N	-2	3	459.407	2.713	1	10		JFCFHL