smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)c([O-])c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cccc(OC(F)F)c2)o1	ZINC000217751914	569881446	/nfs/dbraw/zinc/88/14/46/569881446.db2.gz	DABFSIIETQJPGR-HXUWFJFHSA-N	-1	3	494.494	4.843	50	70		JJIAHM
COc1cccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)c1OCCc1ccc2c(c1)CCO2	ZINC000218012850	569882450	/nfs/dbraw/zinc/88/24/50/569882450.db2.gz	BHFNLSYBPLBKPW-OAQYLSRUSA-N	-1	3	474.509	4.601	50	70		JJIAHM
COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)ccc1OCCc1ccc2c(c1)CCO2	ZINC000217690873	569881084	/nfs/dbraw/zinc/88/10/84/569881084.db2.gz	SPGZQAWGSDGTOG-NRFANRHFSA-N	-1	3	474.509	4.601	50	70		JJIAHM
COc1ccc(CCOc2cc([C@@H]3CC(=O)Oc4ccc(C(C)=O)c([O-])c43)ccc2OC)cc1	ZINC000217893860	569882034	/nfs/dbraw/zinc/88/20/34/569882034.db2.gz	ZLWHRJDSGHPUQU-NRFANRHFSA-N	-1	3	462.498	4.675	50	70		JJIAHM
COc1cccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)c1OCCc1ccc2c(c1)CCO2	ZINC000218012757	569882434	/nfs/dbraw/zinc/88/24/34/569882434.db2.gz	BHFNLSYBPLBKPW-NRFANRHFSA-N	-1	3	474.509	4.601	50	70		JJIAHM
Cc1cc(=O)c([O-])c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cc(F)c(F)c(F)c2)o1	ZINC000218347999	569883315	/nfs/dbraw/zinc/88/33/15/569883315.db2.gz	CQMYPSAVRVMIBU-KRWDZBQOSA-N	-1	3	482.458	4.659	50	70		JJIAHM
COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc1OCCc1ccc2c(c1)CCO2	ZINC000217618176	569880601	/nfs/dbraw/zinc/88/06/01/569880601.db2.gz	MNXMDXNVECQGRU-OAQYLSRUSA-N	-1	3	474.509	4.601	50	70		JJIAHM
Cc1cc(=O)c([O-])c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cccc(OC(F)F)c2)o1	ZINC000217751829	569881472	/nfs/dbraw/zinc/88/14/72/569881472.db2.gz	DABFSIIETQJPGR-FQEVSTJZSA-N	-1	3	494.494	4.843	50	70		JJIAHM
Cc1cc(=O)c([O-])c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc(F)c(F)c2)o1	ZINC000218356921	569883292	/nfs/dbraw/zinc/88/32/92/569883292.db2.gz	HGWXWPCZRSURGO-GOSISDBHSA-N	-1	3	464.468	4.520	50	70		JJIAHM
Cc1cc(=O)c([O-])c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc(F)c(F)c2)o1	ZINC000218357004	569883280	/nfs/dbraw/zinc/88/32/80/569883280.db2.gz	HGWXWPCZRSURGO-SFHVURJKSA-N	-1	3	464.468	4.520	50	70		JJIAHM
COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4ccc(C(C)=O)c([O-])c43)cc2OC)cc1	ZINC000217655262	569880858	/nfs/dbraw/zinc/88/08/58/569880858.db2.gz	AYIWJRQINJCOEN-NRFANRHFSA-N	-1	3	462.498	4.675	50	70		JJIAHM
COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4ccc(C(C)=O)c([O-])c43)cc2OC)cc1	ZINC000217655353	569880928	/nfs/dbraw/zinc/88/09/28/569880928.db2.gz	AYIWJRQINJCOEN-OAQYLSRUSA-N	-1	3	462.498	4.675	50	70		JJIAHM
COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)ccc1OCCc1ccc2c(c1)CCO2	ZINC000217690976	569881059	/nfs/dbraw/zinc/88/10/59/569881059.db2.gz	SPGZQAWGSDGTOG-OAQYLSRUSA-N	-1	3	474.509	4.601	50	70		JJIAHM
COc1ccc([C@@H]2CCCN2C(=O)Cn2ccc3c2cccc3[N-]S(C)(=O)=O)c2ccccc12	ZINC000217774500	569881488	/nfs/dbraw/zinc/88/14/88/569881488.db2.gz	XXDPTWBSFKHFOQ-DEOSSOPVSA-N	-1	3	477.586	4.538	50	70		JJIAHM
COc1ccc([C@H]2CCCN2C(=O)Cn2ccc3c2cccc3[N-]S(C)(=O)=O)c2ccccc12	ZINC000217774556	569881537	/nfs/dbraw/zinc/88/15/37/569881537.db2.gz	XXDPTWBSFKHFOQ-XMMPIXPASA-N	-1	3	477.586	4.538	50	70		JJIAHM
COc1ccc(CCOc2cc([C@H]3CC(=O)Oc4ccc(C(C)=O)c([O-])c43)ccc2OC)cc1	ZINC000217893927	569882086	/nfs/dbraw/zinc/88/20/86/569882086.db2.gz	ZLWHRJDSGHPUQU-OAQYLSRUSA-N	-1	3	462.498	4.675	50	70		JJIAHM
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1cc(Cl)ccc1[O-]	ZINC000218112063	569882767	/nfs/dbraw/zinc/88/27/67/569882767.db2.gz	SWWFRWHBZNAXNA-HSZRJFAPSA-N	-1	3	461.905	4.579	50	70		JJIAHM
COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc1OCCc1ccc2c(c1)CCO2	ZINC000217618091	569880588	/nfs/dbraw/zinc/88/05/88/569880588.db2.gz	MNXMDXNVECQGRU-NRFANRHFSA-N	-1	3	474.509	4.601	50	70		JJIAHM
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1cc(Cl)ccc1[O-]	ZINC000218112149	569882698	/nfs/dbraw/zinc/88/26/98/569882698.db2.gz	SWWFRWHBZNAXNA-QHCPKHFHSA-N	-1	3	461.905	4.579	50	70		JJIAHM
Cc1cc(=O)c([O-])c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cc(F)c(F)c(F)c2)o1	ZINC000218347914	569883270	/nfs/dbraw/zinc/88/32/70/569883270.db2.gz	CQMYPSAVRVMIBU-QGZVFWFLSA-N	-1	3	482.458	4.659	50	70		JJIAHM