smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cnn(C)c2)CC(=O)O4)cc1O	ZINC000217700571	569451908	/nfs/dbraw/zinc/45/19/08/569451908.db2.gz	ZLYFGFWTIYCNGN-ZDUSSCGKSA-N	0	2	434.404	3.054	50	70		IGIALN
O=C(NCCSC1CCOCC1)c1cccc(NS(=O)(=O)c2ccccc2F)c1	ZINC000217703588	569451970	/nfs/dbraw/zinc/45/19/70/569451970.db2.gz	FHWQYQJOMOCOHS-UHFFFAOYSA-N	0	2	438.546	3.269	50	70		IGIALN
Cc1nc2n(n1)C(=O)C([C@H](c1ccc(F)c(Br)c1)N1CCOCC1)S2	ZINC000218308812	557191720	/nfs/dbraw/zinc/19/17/20/557191720.db2.gz	WYJFTYSBNSOBBC-ZDUSSCGKSA-N	0	2	427.299	3.128	50	70		IGIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2ccnn2C)CC(=O)O4)cc1O	ZINC000217670991	569451235	/nfs/dbraw/zinc/45/12/35/569451235.db2.gz	TVMDIEJYMBRMKM-GFCCVEGCSA-N	0	2	434.404	3.054	50	70		IGIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cnn(C)c2C)CC(=O)O4)cc1O	ZINC000217883598	569454562	/nfs/dbraw/zinc/45/45/62/569454562.db2.gz	CSENZAGNRKWIAZ-ZDUSSCGKSA-N	0	2	448.431	3.363	50	70		IGIALN
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc(OC)c1O	ZINC000217991878	569455649	/nfs/dbraw/zinc/45/56/49/569455649.db2.gz	UYJMETIDQFJFDR-GFCCVEGCSA-N	0	2	440.404	3.173	50	70		IGIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2ccnn2C)CC(=O)O4)cc1O	ZINC000217671082	569451200	/nfs/dbraw/zinc/45/12/00/569451200.db2.gz	TVMDIEJYMBRMKM-LBPRGKRZSA-N	0	2	434.404	3.054	50	70		IGIALN
Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)c(Br)c1)N1CCOCC1)S2	ZINC000218308757	557191665	/nfs/dbraw/zinc/19/16/65/557191665.db2.gz	WYJFTYSBNSOBBC-CYBMUJFWSA-N	0	2	427.299	3.128	50	70		IGIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cnn(C)c2C)CC(=O)O4)cc1O	ZINC000217883519	569454556	/nfs/dbraw/zinc/45/45/56/569454556.db2.gz	CSENZAGNRKWIAZ-CYBMUJFWSA-N	0	2	448.431	3.363	50	70		IGIALN
CC(C)(C)OC(=O)N1CCN([C@H](c2cccc(F)c2)C2Sc3ncnn3C2=O)CC1	ZINC000218482244	557202394	/nfs/dbraw/zinc/20/23/94/557202394.db2.gz	JSGQVESTUWRBQR-OAHLLOKOSA-N	0	2	433.509	3.278	50	70		IGIALN
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc(OC)c1O	ZINC000217991786	569455534	/nfs/dbraw/zinc/45/55/34/569455534.db2.gz	UYJMETIDQFJFDR-LBPRGKRZSA-N	0	2	440.404	3.173	50	70		IGIALN
CC(C)(C)OC(=O)N1CCN([C@@H](c2cccc(F)c2)C2Sc3ncnn3C2=O)CC1	ZINC000218482184	557202317	/nfs/dbraw/zinc/20/23/17/557202317.db2.gz	JSGQVESTUWRBQR-HNNXBMFYSA-N	0	2	433.509	3.278	50	70		IGIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cnn(C)c2)CC(=O)O4)cc1O	ZINC000217700470	569451878	/nfs/dbraw/zinc/45/18/78/569451878.db2.gz	ZLYFGFWTIYCNGN-CYBMUJFWSA-N	0	2	434.404	3.054	50	70		IGIALN