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(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@H](C2=Cc3ccccc3OC2)CC(=O)O1	ZINC000217732215	569881251	/nfs/dbraw/zinc/88/12/51/569881251.db2.gz	RUSIXEIDISQBEI-SFHVURJKSA-N	-2	3	454.434	4.740	50	70		JJIAHL
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@H](c2cc(F)c(F)c(F)c2)CC(=O)O1	ZINC000217642703	569880816	/nfs/dbraw/zinc/88/08/16/569880816.db2.gz	HZTOCWDBUYDPMO-ZDUSSCGKSA-N	-2	3	454.356	4.730	50	70		JJIAHL
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@H](c2cccc(OC(F)F)c2)CC(=O)O1	ZINC000217854432	569881916	/nfs/dbraw/zinc/88/19/16/569881916.db2.gz	GLEGQBGZCGVDTE-INIZCTEOSA-N	-2	3	466.392	4.914	50	70		JJIAHL
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccc([O-])c(Cl)c2)CC(=O)O4)cc1O	ZINC000217855418	569881894	/nfs/dbraw/zinc/88/18/94/569881894.db2.gz	WEKMFDYUMAHBSQ-ZDUSSCGKSA-N	-2	3	480.856	4.680	50	70		JJIAHL
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccc([O-])c(Cl)c2)CC(=O)O4)cc1O	ZINC000217855418	569881895	/nfs/dbraw/zinc/88/18/95/569881895.db2.gz	WEKMFDYUMAHBSQ-ZDUSSCGKSA-N	-2	3	480.856	4.680	50	70		JJIAHL
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1ccc([O-])c(Cl)c1)CC(=O)O2	ZINC000217631326	569880734	/nfs/dbraw/zinc/88/07/34/569880734.db2.gz	SZWLFXWRZAIEMB-AWEZNQCLSA-N	-2	3	450.830	4.671	50	70		JJIAHL
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](c2ccc([O-])c(Cl)c2)CC(=O)O1	ZINC000217631326	569880735	/nfs/dbraw/zinc/88/07/35/569880735.db2.gz	SZWLFXWRZAIEMB-AWEZNQCLSA-N	-2	3	450.830	4.671	50	70		JJIAHL
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@@H](c2cccc(OC(F)F)c2)CC(=O)O1	ZINC000217854525	569881887	/nfs/dbraw/zinc/88/18/87/569881887.db2.gz	GLEGQBGZCGVDTE-MRXNPFEDSA-N	-2	3	466.392	4.914	50	70		JJIAHL
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@@H](c2cc(F)c(F)c(F)c2)CC(=O)O1	ZINC000217642788	569880828	/nfs/dbraw/zinc/88/08/28/569880828.db2.gz	HZTOCWDBUYDPMO-CYBMUJFWSA-N	-2	3	454.356	4.730	50	70		JJIAHL
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1ccc([O-])c(Cl)c1)CC(=O)O2	ZINC000217631407	569880710	/nfs/dbraw/zinc/88/07/10/569880710.db2.gz	SZWLFXWRZAIEMB-CQSZACIVSA-N	-2	3	450.830	4.671	50	70		JJIAHL
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](c2ccc([O-])c(Cl)c2)CC(=O)O1	ZINC000217631407	569880711	/nfs/dbraw/zinc/88/07/11/569880711.db2.gz	SZWLFXWRZAIEMB-CQSZACIVSA-N	-2	3	450.830	4.671	50	70		JJIAHL
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@@H](C2=Cc3ccccc3OC2)CC(=O)O1	ZINC000217732297	569881228	/nfs/dbraw/zinc/88/12/28/569881228.db2.gz	RUSIXEIDISQBEI-GOSISDBHSA-N	-2	3	454.434	4.740	50	70		JJIAHL
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccc([O-])c(Cl)c2)CC(=O)O4)cc1O	ZINC000217855357	569881881	/nfs/dbraw/zinc/88/18/81/569881881.db2.gz	WEKMFDYUMAHBSQ-CYBMUJFWSA-N	-2	3	480.856	4.680	50	70		JJIAHL
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccc([O-])c(Cl)c2)CC(=O)O4)cc1O	ZINC000217855357	569881882	/nfs/dbraw/zinc/88/18/82/569881882.db2.gz	WEKMFDYUMAHBSQ-CYBMUJFWSA-N	-2	3	480.856	4.680	50	70		JJIAHL