smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2ccccc2n(C)c1=O	ZINC000217951329	569455155	/nfs/dbraw/zinc/45/51/55/569455155.db2.gz	VZIYVOHZLHJZRN-AWEZNQCLSA-N	-1	0	445.427	3.303	50	70		IGIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2cnn(C)c2)CC(=O)O4)cc1O	ZINC000217700571	569451905	/nfs/dbraw/zinc/45/19/05/569451905.db2.gz	ZLYFGFWTIYCNGN-ZDUSSCGKSA-N	-1	0	434.404	3.054	50	70		IGIARM
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc2c1OCO2	ZINC000218036925	569456042	/nfs/dbraw/zinc/45/60/42/569456042.db2.gz	WPKMCCZBDLUNMH-GFCCVEGCSA-N	-1	0	438.388	3.188	50	70		IGIARM
COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c([O-])c2ccccc2oc1=O	ZINC000217792756	569453346	/nfs/dbraw/zinc/45/33/46/569453346.db2.gz	LIVSNSIKNHSFNZ-OAHLLOKOSA-N	-1	0	442.420	3.136	50	70		IGIARM
O=C(NCCSC1CCOCC1)c1cccc([N-]S(=O)(=O)c2ccccc2F)c1	ZINC000217703588	569451969	/nfs/dbraw/zinc/45/19/69/569451969.db2.gz	FHWQYQJOMOCOHS-UHFFFAOYSA-N	-1	0	438.546	3.269	50	70		IGIARM
Cc1nc2sc([C@H](c3ccc(F)c(Br)c3)N3CCOCC3)c([O-])n2n1	ZINC000218308812	557191716	/nfs/dbraw/zinc/19/17/16/557191716.db2.gz	WYJFTYSBNSOBBC-ZDUSSCGKSA-N	-1	0	427.299	3.128	50	70		IGIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccnn2C)CC(=O)O4)cc1O	ZINC000217670991	569451232	/nfs/dbraw/zinc/45/12/32/569451232.db2.gz	TVMDIEJYMBRMKM-GFCCVEGCSA-N	-1	0	434.404	3.054	50	70		IGIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2cnn(C)c2C)CC(=O)O4)cc1O	ZINC000217883598	569454559	/nfs/dbraw/zinc/45/45/59/569454559.db2.gz	CSENZAGNRKWIAZ-ZDUSSCGKSA-N	-1	0	448.431	3.363	50	70		IGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2ccccc2[nH]c1=O	ZINC000218102515	569456319	/nfs/dbraw/zinc/45/63/19/569456319.db2.gz	KVDDQBBEFGJLIB-ZDUSSCGKSA-N	-1	0	431.400	3.292	50	70		IGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2ccccc2n(C)c1=O	ZINC000217951245	569455162	/nfs/dbraw/zinc/45/51/62/569455162.db2.gz	VZIYVOHZLHJZRN-CQSZACIVSA-N	-1	0	445.427	3.303	50	70		IGIARM
Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCC(NC(=O)OC(C)(C)C)CC2)o1	ZINC000218516966	557204945	/nfs/dbraw/zinc/20/49/45/557204945.db2.gz	SYEFIPQPXIDGTE-OAHLLOKOSA-N	-1	0	433.534	3.476	50	70		IGIARM
Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCC(NC(=O)OC(C)(C)C)CC2)o1	ZINC000218517044	557204869	/nfs/dbraw/zinc/20/48/69/557204869.db2.gz	SYEFIPQPXIDGTE-HNNXBMFYSA-N	-1	0	433.534	3.476	50	70		IGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2ccccc2[nH]c1=O	ZINC000218102602	569456334	/nfs/dbraw/zinc/45/63/34/569456334.db2.gz	KVDDQBBEFGJLIB-CYBMUJFWSA-N	-1	0	431.400	3.292	50	70		IGIARM
COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])c2ccccc2oc1=O	ZINC000217602933	569450062	/nfs/dbraw/zinc/45/00/62/569450062.db2.gz	BFKKTYPKVPKSEM-KRWDZBQOSA-N	-1	0	431.444	3.455	50	70		IGIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccnn2C)CC(=O)O4)cc1O	ZINC000217671082	569451197	/nfs/dbraw/zinc/45/11/97/569451197.db2.gz	TVMDIEJYMBRMKM-LBPRGKRZSA-N	-1	0	434.404	3.054	50	70		IGIARM
Cc1nc2sc([C@@H](c3ccc(F)c(Br)c3)N3CCOCC3)c([O-])n2n1	ZINC000218308757	557191660	/nfs/dbraw/zinc/19/16/60/557191660.db2.gz	WYJFTYSBNSOBBC-CYBMUJFWSA-N	-1	0	427.299	3.128	50	70		IGIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2cnn(C)c2C)CC(=O)O4)cc1O	ZINC000217883519	569454553	/nfs/dbraw/zinc/45/45/53/569454553.db2.gz	CSENZAGNRKWIAZ-CYBMUJFWSA-N	-1	0	448.431	3.363	50	70		IGIARM
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc2c1OCO2	ZINC000218036841	569456058	/nfs/dbraw/zinc/45/60/58/569456058.db2.gz	WPKMCCZBDLUNMH-LBPRGKRZSA-N	-1	0	438.388	3.188	50	70		IGIARM
COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c([O-])c2ccccc2oc1=O	ZINC000217792809	569453366	/nfs/dbraw/zinc/45/33/66/569453366.db2.gz	LIVSNSIKNHSFNZ-HNNXBMFYSA-N	-1	0	442.420	3.136	50	70		IGIARM
CC(C)(C)OC(=O)N1CCN([C@@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1	ZINC000218482244	557202390	/nfs/dbraw/zinc/20/23/90/557202390.db2.gz	JSGQVESTUWRBQR-OAHLLOKOSA-N	-1	0	433.509	3.278	50	70		IGIARM
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc(OC)c1O	ZINC000217991786	569455533	/nfs/dbraw/zinc/45/55/33/569455533.db2.gz	UYJMETIDQFJFDR-LBPRGKRZSA-N	-1	0	440.404	3.173	50	70		IGIARM
CC(C)(C)OC(=O)N1CCN([C@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1	ZINC000218482184	557202313	/nfs/dbraw/zinc/20/23/13/557202313.db2.gz	JSGQVESTUWRBQR-HNNXBMFYSA-N	-1	0	433.509	3.278	50	70		IGIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2cnn(C)c2)CC(=O)O4)cc1O	ZINC000217700470	569451875	/nfs/dbraw/zinc/45/18/75/569451875.db2.gz	ZLYFGFWTIYCNGN-CYBMUJFWSA-N	-1	0	434.404	3.054	50	70		IGIARM
COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c([O-])c2ccccc2oc1=O	ZINC000217666904	569451223	/nfs/dbraw/zinc/45/12/23/569451223.db2.gz	IJQMJQCZOFRMNE-INIZCTEOSA-N	-1	0	435.432	3.054	50	70		IGIARM
COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c([O-])c2ccccc2oc1=O	ZINC000217666991	569451229	/nfs/dbraw/zinc/45/12/29/569451229.db2.gz	IJQMJQCZOFRMNE-MRXNPFEDSA-N	-1	0	435.432	3.054	50	70		IGIARM
COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])c2ccccc2oc1=O	ZINC000217603024	569450066	/nfs/dbraw/zinc/45/00/66/569450066.db2.gz	BFKKTYPKVPKSEM-QGZVFWFLSA-N	-1	0	431.444	3.455	50	70		IGIARM