smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@]1(O)C(=O)c2c(O)c(C(=O)[O-])cc([O-])c2C2=C1C(=O)C=CC2=O	ZINC000085854134	571789980	/nfs/dbraw/zinc/78/99/80/571789980.db2.gz	YFUQJMOETZJFHO-INIZCTEOSA-N	-2	3	330.248	0.205	1	30	endogenous,in-man	ECEFHL
COc1ccc(C=CC([O-])=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000103159560	219264090	/nfs/dbraw/zinc/26/40/90/219264090.db2.gz	PYOFLFMVKCNFQG-HWKANZROSA-N	-2	3	334.353	0.433	1	30		ECEFHL
COc1ccc(C=CC(=O)c2c([O-])[nH]c(=S)[n-]c2=O)cc1OC	ZINC000103159560	219264092	/nfs/dbraw/zinc/26/40/92/219264092.db2.gz	PYOFLFMVKCNFQG-HWKANZROSA-N	-2	3	334.353	0.433	1	30		ECEFHL
C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[O-]	ZINC000010450325	211174130	/nfs/dbraw/zinc/17/41/30/211174130.db2.gz	AUIKJLRMPLDORG-UWTATZPHSA-N	-2	3	334.222	0.554	1	30		ECEFHL
C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[O-]	ZINC000010450326	211174220	/nfs/dbraw/zinc/17/42/20/211174220.db2.gz	AUIKJLRMPLDORG-REOHCLBHSA-N	-2	3	334.222	0.554	1	30		ECEFHL
C[C@]1(O)C(=O)c2c(O)c(C(=O)[O-])cc([O-])c2C2=C1C(=O)C=CC2=O	ZINC000085854127	571790152	/nfs/dbraw/zinc/79/01/52/571790152.db2.gz	YFUQJMOETZJFHO-MRXNPFEDSA-N	-2	3	330.248	0.205	1	30	endogenous,in-man	ECEFHL