smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@H]2C1	ZINC001164853836	720891463	/nfs/dbraw/zinc/89/14/63/720891463.db2.gz	CZGGIHUHWNXVAZ-DZGCQCFKSA-N	1	1	431.486	0.700	20	70		ICIDMO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@H]2C1	ZINC001164853836	720891462	/nfs/dbraw/zinc/89/14/62/720891462.db2.gz	CZGGIHUHWNXVAZ-DZGCQCFKSA-N	1	1	431.486	0.700	20	70		ICIDMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@@H]2C1	ZINC001164853837	720891640	/nfs/dbraw/zinc/89/16/40/720891640.db2.gz	CZGGIHUHWNXVAZ-HIFRSBDPSA-N	1	1	431.486	0.700	20	70		ICIDMO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@@H]2C1	ZINC001164853837	720891638	/nfs/dbraw/zinc/89/16/38/720891638.db2.gz	CZGGIHUHWNXVAZ-HIFRSBDPSA-N	1	1	431.486	0.700	20	70		ICIDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@@H]2C1	ZINC001164853839	720891889	/nfs/dbraw/zinc/89/18/89/720891889.db2.gz	CZGGIHUHWNXVAZ-UKRRQHHQSA-N	1	1	431.486	0.700	20	70		ICIDMO
COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@@H]2C1	ZINC001164853839	720891885	/nfs/dbraw/zinc/89/18/85/720891885.db2.gz	CZGGIHUHWNXVAZ-UKRRQHHQSA-N	1	1	431.486	0.700	20	70		ICIDMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@H]2C1	ZINC001164853841	720891471	/nfs/dbraw/zinc/89/14/71/720891471.db2.gz	CZGGIHUHWNXVAZ-ZFWWWQNUSA-N	1	1	431.486	0.700	20	70		ICIDMO
COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@H]2C1	ZINC001164853841	720891469	/nfs/dbraw/zinc/89/14/69/720891469.db2.gz	CZGGIHUHWNXVAZ-ZFWWWQNUSA-N	1	1	431.486	0.700	20	70		ICIDMO