smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2CN(C)CCN32)C1=O	ZINC000016956744	553585229	/nfs/dbraw/zinc/58/52/29/553585229.db2.gz	AQJFCMVABYIHRY-HKBKRHGFSA-N	-2	3	507.507	-0.724	50	30		KBEAHL
C=CCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2CN(C)CCN32)C(=O)[N-]C1=S	ZINC000017014239	553586586	/nfs/dbraw/zinc/58/65/86/553586586.db2.gz	PEEUZZNVZOPZOP-HKBKRHGFSA-N	-2	3	523.575	-0.559	50	30		KBEAHL
C=CCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2CN(CC)CCN32)C1=O	ZINC000017027356	553586918	/nfs/dbraw/zinc/58/69/18/553586918.db2.gz	XFFSMSYIBIKXJY-XOQYZJNISA-N	-2	3	521.534	-0.334	50	30		KBEAHL