smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(NC(=S)C(C([O-])=C2C=CC(=NS(C)(=O)=O)C=C2)[n+]2cc([O-])ccc2C)cc1	ZINC000728556617	1066207741	/nfs/dbraw/zinc/20/77/41/1066207741.db2.gz	SHVOUCRTXHECAV-UHFFFAOYSA-O	-1	0	500.622	3.894	20	30		KHEDRM
CC(C)Oc1ccc(NC(=S)C(C([O-])=C2C=CC(=NS(C)(=O)=O)C=C2)[n+]2cccc([O-])c2)cc1	ZINC000728558516	1066207725	/nfs/dbraw/zinc/20/77/25/1066207725.db2.gz	OKEJSXIWUDGTJT-UHFFFAOYSA-O	-1	0	500.622	3.974	20	30		KHEDRM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC001233565955	1066863836	/nfs/dbraw/zinc/86/38/36/1066863836.db2.gz	CKWQJFOCDNKWBU-AJKIVAFUSA-N	-1	0	500.544	3.539	20	30		KHEDRM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC001233565956	1066863764	/nfs/dbraw/zinc/86/37/64/1066863764.db2.gz	CKWQJFOCDNKWBU-QMALHXIISA-N	-1	0	500.544	3.539	20	30		KHEDRM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC001233565957	1066863971	/nfs/dbraw/zinc/86/39/71/1066863971.db2.gz	CKWQJFOCDNKWBU-QZXAKIBKSA-N	-1	0	500.544	3.539	20	30		KHEDRM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC001233565958	1066863889	/nfs/dbraw/zinc/86/38/89/1066863889.db2.gz	CKWQJFOCDNKWBU-YBPQSNLQSA-N	-1	0	500.544	3.539	20	30		KHEDRM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC001233568249	1066863826	/nfs/dbraw/zinc/86/38/26/1066863826.db2.gz	RIXKRTVUEXKKIX-ANZURSDLSA-N	-1	0	500.544	3.539	20	30		KHEDRM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC001233568250	1066863815	/nfs/dbraw/zinc/86/38/15/1066863815.db2.gz	RIXKRTVUEXKKIX-OKTISSRRSA-N	-1	0	500.544	3.539	20	30		KHEDRM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC001233568251	1066864802	/nfs/dbraw/zinc/86/48/02/1066864802.db2.gz	RIXKRTVUEXKKIX-SJQPRBQBSA-N	-1	0	500.544	3.539	20	30		KHEDRM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC001233568252	1066864934	/nfs/dbraw/zinc/86/49/34/1066864934.db2.gz	RIXKRTVUEXKKIX-WNLMNSNFSA-N	-1	0	500.544	3.539	20	30		KHEDRM