smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(c2ccccc2)C1=O	ZINC000033311454	132786630	/nfs/dbraw/zinc/78/66/30/132786630.db2.gz	IGNZLKDIPLRYDB-RGEXLXHISA-N	0	1	407.495	3.503	10	10		HHCEMN
CCOc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)NC2=S)cc1	ZINC000004467669	132277325	/nfs/dbraw/zinc/27/73/25/132277325.db2.gz	NNWDVSPZSIACBW-HKWRFOASSA-N	0	1	417.490	3.707	10	10		HHCEMN
CCOCc1cc(C[NH+]2CCN(c3ccccc3OC)CC2)c([O-])c2ncccc12	ZINC000006804062	132317777	/nfs/dbraw/zinc/31/77/77/132317777.db2.gz	LLQHRKRHUJUPPY-UHFFFAOYSA-N	0	1	407.514	3.808	10	10		HHCEMN
COc1ccc(N2C(=O)/C(=C/c3c(OC)ccc4ccccc43)C(=O)NC2=S)cc1	ZINC000000753677	536657696	/nfs/dbraw/zinc/65/76/96/536657696.db2.gz	FNGRSUDVGCYULC-CPNJWEJPSA-N	0	1	418.474	3.688	10	10		HHCEMN
Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)NC2=S)cc1C	ZINC000004460745	132277342	/nfs/dbraw/zinc/27/73/42/132277342.db2.gz	DWRYXTPNFHYRID-ZHZULCJRSA-N	0	1	401.491	3.925	10	10		HHCEMN
Cc1cc(C)cc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)NC2=S)c1	ZINC000005931882	132308552	/nfs/dbraw/zinc/30/85/52/132308552.db2.gz	IBENHPMZQPYSNX-ZHZULCJRSA-N	0	1	401.491	3.925	10	10		HHCEMN