smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([O-])c1ccc(NC(=S)c2sc(=S)n(-c3cccc(C(F)(F)F)c3)c2[O-])cc1	ZINC000040981036	563162506	/nfs/dbraw/zinc/16/25/06/563162506.db2.gz	KXCIVRCOEADBKW-ZDUSSCGKSA-N	-2	0	492.547	4.125	1	10		JICFRL
O=C([O-])C=Cc1ccc(Oc2c(O)cc3c(c2[O-])C(=O)C[C@H](c2ccc(O)c(O)c2)O3)cc1	ZINC000070454862	560047854	/nfs/dbraw/zinc/04/78/54/560047854.db2.gz	SWMNWOAIJQBMDA-DPAQFELZSA-N	-3	0	450.399	4.106	1	10	biogenic,in-vitro	JICFRL
Cc1ccc(C)n1-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000027108874	563040543	/nfs/dbraw/zinc/04/05/43/563040543.db2.gz	SDUIEKBTBONBFV-YKSBVNFPSA-N	-2	0	465.974	4.282	1	10		JICFRL
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)nc(C)n1	ZINC000012446206	525290787	/nfs/dbraw/zinc/29/07/87/525290787.db2.gz	MIYPDJUSRAYWCW-ROKPMTFOSA-N	-2	0	476.558	4.419	2	10		JICFRL
COc1cc(O)c(C(=O)c2ccccc2)c([O-])c1-c1cc(O)c(=O)c2c([O-])c3cccc(O)c3oc1-2	ZINC000015251996	571737295	/nfs/dbraw/zinc/73/72/95/571737295.db2.gz	HPYVBXILLKDBSO-UHFFFAOYSA-N	-2	0	486.432	4.381	1	10	endogenous,in-man	JICFRL
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1cc(Br)cc(Br)c1[O-]	ZINC000045321153	563188142	/nfs/dbraw/zinc/18/81/42/563188142.db2.gz	PPNABWXSABAUJU-CMPLNLGQSA-N	-2	0	483.178	4.353	1	10		JICFRL
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)nc(C)n1	ZINC000012446202	525288279	/nfs/dbraw/zinc/28/82/79/525288279.db2.gz	MIYPDJUSRAYWCW-SKPFHBQLSA-N	-2	0	476.558	4.419	2	10		JICFRL
O=S(=O)([O-])c1ccc(NC(=S)c2sc(=S)n(-c3cccc(C(F)(F)F)c3)c2[O-])cc1	ZINC000040981037	563162508	/nfs/dbraw/zinc/16/25/08/563162508.db2.gz	KXCIVRCOEADBKW-CYBMUJFWSA-N	-2	0	492.547	4.125	1	10		JICFRL
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1cc(Br)cc(Br)c1[O-]	ZINC000045321157	563188067	/nfs/dbraw/zinc/18/80/67/563188067.db2.gz	PPNABWXSABAUJU-JQWIXIFHSA-N	-2	0	483.178	4.353	1	10		JICFRL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)n1	ZINC000012446231	524592804	/nfs/dbraw/zinc/59/28/04/524592804.db2.gz	RQSGQRPIYBTUCZ-JTAQYXEDSA-N	-2	0	476.558	4.419	2	10		JICFRL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)n1	ZINC000012446235	524592836	/nfs/dbraw/zinc/59/28/36/524592836.db2.gz	RQSGQRPIYBTUCZ-MZKRTTBSSA-N	-2	0	476.558	4.419	2	10		JICFRL
Cc1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3ccc(C)cc3F)cc2)c(F)c1	ZINC000040412600	563140968	/nfs/dbraw/zinc/14/09/68/563140968.db2.gz	YIRXVKNEOCVYNQ-UHFFFAOYSA-N	-2	0	452.504	4.183	1	10		JICFRL