smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCC[C@@]1(C)C=Cc2c([O-])cc(/C=C/c3ccc(O)c(O)c3)cc2O1	ZINC000014638098	206262664	/nfs/dbraw/zinc/26/26/64/206262664.db2.gz	UAIWPLZXOFABMI-JXSPYEIYSA-N	-1	3	378.468	5.885	1	10		GKCFHM
O=C(N[C@@H](c1c[nH]c2ccccc21)c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000098084250	211380726	/nfs/dbraw/zinc/38/07/26/211380726.db2.gz	AYHGOZKUDSKNTN-VWLOTQADSA-N	-1	3	392.458	5.546	1	10		GKCFHM
CC(C)=CCC[C@]1(C)C=Cc2c([O-])cc(/C=C/c3ccc(O)c(O)c3)cc2O1	ZINC000014638096	207025170	/nfs/dbraw/zinc/02/51/70/207025170.db2.gz	UAIWPLZXOFABMI-DGQXCUQSSA-N	-1	3	378.468	5.885	1	10		GKCFHM
Cc1ccc(C(=O)N[C@H](c2ccco2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000066148921	222138918	/nfs/dbraw/zinc/13/89/18/222138918.db2.gz	XXNBRJIXWKVRNA-IBGZPJMESA-N	-1	3	392.842	5.015	1	10		GKCFHM
[O-]c1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=S	ZINC000000581962	206307803	/nfs/dbraw/zinc/30/78/03/206307803.db2.gz	OOGYXUJUUXZJKH-UHFFFAOYSA-N	-1	3	386.782	5.299	1	10		GKCFHM
Cc1ccc2ccc([C@H](Nc3ccccc3)c3ccc(C(C)C)cc3)c([O-])c2n1	ZINC000095565541	208235082	/nfs/dbraw/zinc/23/50/82/208235082.db2.gz	KSACZJLGLDBKMF-XMMPIXPASA-N	-1	3	382.507	6.574	3	10		GKCFHM
Cc1ccc(C(=O)N[C@@H](c2ccco2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000066148919	222139525	/nfs/dbraw/zinc/13/95/25/222139525.db2.gz	XXNBRJIXWKVRNA-LJQANCHMSA-N	-1	3	392.842	5.015	1	10		GKCFHM
CCCCCC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2[O-])N1	ZINC000002934938	209398885	/nfs/dbraw/zinc/39/88/85/209398885.db2.gz	CJMXYIBMAQBFBJ-RDPSFJRHSA-N	-1	3	394.515	5.083	1	10		GKCFHM
COc1ccc([C@H]2CC(c3c([O-])ccc4ccccc43)=NN2c2ccccc2)cc1	ZINC000028528671	207344325	/nfs/dbraw/zinc/34/43/25/207344325.db2.gz	CTMHQNQBIWDVMM-XMMPIXPASA-N	-1	3	394.474	5.910	1	10		GKCFHM
Cc1ccnc(N[C@H](c2ccc(F)cc2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000096285976	211331298	/nfs/dbraw/zinc/33/12/98/211331298.db2.gz	FRRVRVNGAKHMGO-HXUWFJFHSA-N	-1	3	393.849	5.638	1	10		GKCFHM
Cc1ccnc(N[C@@H](c2ccc(F)cc2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000096285975	208302571	/nfs/dbraw/zinc/30/25/71/208302571.db2.gz	FRRVRVNGAKHMGO-FQEVSTJZSA-N	-1	3	393.849	5.638	1	10		GKCFHM
[O-]c1ccc2ccccc2c1C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1	ZINC000028528731	221678225	/nfs/dbraw/zinc/67/82/25/221678225.db2.gz	PUGPGROGDJLFBE-QHCPKHFHSA-N	-1	3	398.893	6.555	1	10		GKCFHM
CC(=O)N1N=C(c2ccc3ccccc3c2[O-])C[C@H]1c1ccc(Cl)cc1Cl	ZINC000005838574	204153290	/nfs/dbraw/zinc/15/32/90/204153290.db2.gz	GCCHRPNOUMSBKA-FQEVSTJZSA-N	-1	3	399.277	5.550	1	10		GKCFHM
Cc1cc(=O)c2ccc([O-])c(CN(CCc3ccccc3)Cc3ccccc3)c2o1	ZINC000064516726	205190556	/nfs/dbraw/zinc/19/05/56/205190556.db2.gz	BIGYFFNTWRBEOK-UHFFFAOYSA-N	-1	3	399.490	5.052	1	10		GKCFHM
CC(C)=CCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)c([O-])c1	ZINC000064528293	222072062	/nfs/dbraw/zinc/07/20/62/222072062.db2.gz	IADCATISUCAYRY-NRFANRHFSA-N	-1	3	398.890	5.088	1	10		GKCFHM
CC(C)=CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)c([O-])c1	ZINC000064528294	222072145	/nfs/dbraw/zinc/07/21/45/222072145.db2.gz	IADCATISUCAYRY-OAQYLSRUSA-N	-1	3	398.890	5.088	1	10		GKCFHM
Cc1ccc2ccc([C@@H](Nc3ccccc3)c3ccc(C(C)C)cc3)c([O-])c2n1	ZINC000095565542	222356543	/nfs/dbraw/zinc/35/65/43/222356543.db2.gz	KSACZJLGLDBKMF-DEOSSOPVSA-N	-1	3	382.507	6.574	3	10		GKCFHM