smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(O)c(O)c1	ZINC000038031040	174024956	/nfs/dbraw/zinc/02/49/56/174024956.db2.gz	WYEWHHWCGGLGDD-UHFFFAOYSA-N	2	2	279.340	-0.039	10	10		CBCELP
C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(O)c(O)c1	ZINC000038031040	174024958	/nfs/dbraw/zinc/02/49/58/174024958.db2.gz	WYEWHHWCGGLGDD-UHFFFAOYSA-N	2	2	279.340	-0.039	10	10		CBCELP
[NH3+]CC[NH2+]CCNCC[NH2+]Cc1ccccc1O	ZINC000022440759	171387502	/nfs/dbraw/zinc/38/75/02/171387502.db2.gz	MBJJNGWNAZCBBO-UHFFFAOYSA-N	3	2	252.362	-0.380	10	10		CBCELP