smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@H](N)C(O)(O)C[NH2+]C1CC1	ZINC000006379527	169008593	/nfs/dbraw/zinc/00/85/93/169008593.db2.gz	AYBDGNNJGBFOBQ-VIFPVBQESA-N	1	3	202.298	-0.063	1	0	in-vivo	BBAFHO
CN1CCN2CCN(CC1)CC[N@H+](C)CCC2	ZINC000019365739	173019089	/nfs/dbraw/zinc/01/90/89/173019089.db2.gz	IBPQXENBZARETM-UHFFFAOYSA-N	1	3	240.395	-0.129	1	0		BBAFHO
CN1CCN2CCN(CC1)CC[N@@H+](C)CCC2	ZINC000019365739	173019086	/nfs/dbraw/zinc/01/90/86/173019086.db2.gz	IBPQXENBZARETM-UHFFFAOYSA-N	1	3	240.395	-0.129	1	0		BBAFHO
NC(=[NH2+])NCCC[C@H](N)C(=O)N1CCCC1	ZINC000040862888	181189042	/nfs/dbraw/zinc/18/90/42/181189042.db2.gz	XJVGPMCJHIUBCD-QMMMGPOBSA-N	1	3	227.312	-0.801	1	0		BBAFHO
[NH3+]CCN1CCNCc2cccc(n2)CNCC1	ZINC000095589516	181391621	/nfs/dbraw/zinc/39/16/21/181391621.db2.gz	OMVZUUMSGXPCEI-UHFFFAOYSA-N	1	3	249.362	-0.465	1	0		BBAFHO
N=C(NCCN1CC[NH2+]CC1)c1ccccn1	ZINC000095596632	181199289	/nfs/dbraw/zinc/19/92/89/181199289.db2.gz	VGKNZXRSSSCDKR-UHFFFAOYSA-N	1	3	233.319	-0.098	1	0		BBAFHO