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+]1CCN2CCN(CC1)CC[NH+](C)CCC2	ZINC000019365739	173019084	/nfs/dbraw/zinc/01/90/84/173019084.db2.gz	IBPQXENBZARETM-UHFFFAOYSA-N	2	1	240.395	-0.129	1	0		BBAFMP
C[N@@H+]1CCN2CCN(CC1)CC[NH+](C)CCC2	ZINC000019365739	173019081	/nfs/dbraw/zinc/01/90/81/173019081.db2.gz	IBPQXENBZARETM-UHFFFAOYSA-N	2	1	240.395	-0.129	1	0		BBAFMP
CC[NH2+]CCC[NH2+]CCC[NH2+]CCCO	ZINC000026576715	170112926	/nfs/dbraw/zinc/11/29/26/170112926.db2.gz	NRGWFKNONUMUOX-UHFFFAOYSA-N	3	1	217.357	-0.062	1	0		BBAFMP
CC(C)(C)[C@@H]1C[NH2+]CCNCC[NH2+]CCN1	ZINC000029126457	188110173	/nfs/dbraw/zinc/11/01/73/188110173.db2.gz	ZWKDFYYKKAKZLD-NSHDSACASA-N	2	1	228.384	-0.227	1	0		BBAFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCCCO	ZINC000045230935	187607872	/nfs/dbraw/zinc/60/78/72/187607872.db2.gz	ZXPXMUZFBUOHNW-UHFFFAOYSA-N	2	1	215.257	-0.599	1	0		BBAFMP
[NH2+]=C(NCCN1CC[NH2+]CC1)c1cnccn1	ZINC000095593242	181198813	/nfs/dbraw/zinc/19/88/13/181198813.db2.gz	PJMDGDKPFKUAFY-UHFFFAOYSA-N	2	1	234.307	-0.703	1	0		BBAFMP