smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C(N)c1cc(-c2ccnc(C(N)=[NH2+])c2)ccn1	ZINC000000011920	181192854	/nfs/dbraw/zinc/19/28/54/181192854.db2.gz	YYMQJGIRGGDLAL-UHFFFAOYSA-N	1	3	240.270	0.712	1	0		BCAFHO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccccc1N	ZINC000028253026	534963202	/nfs/dbraw/zinc/96/32/02/534963202.db2.gz	XBDYUJWBTZEGOU-UHFFFAOYSA-N	1	3	232.291	0.454	1	0		BCAFHO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccccc1N	ZINC000028253026	534963206	/nfs/dbraw/zinc/96/32/06/534963206.db2.gz	XBDYUJWBTZEGOU-UHFFFAOYSA-N	1	3	232.291	0.454	1	0		BCAFHO
N[C@H](CCCC[NH3+])C(=O)N1CCCCCC1	ZINC000027558690	181378316	/nfs/dbraw/zinc/37/83/16/181378316.db2.gz	LGMXOURXHLZXPU-LLVKDONJSA-N	1	3	227.352	0.845	1	0		BCAFHO
N[C@@H](CCCC[NH3+])C(=O)N1CCCCCC1	ZINC000013529438	181378587	/nfs/dbraw/zinc/37/85/87/181378587.db2.gz	LGMXOURXHLZXPU-NSHDSACASA-N	1	3	227.352	0.845	1	0		BCAFHO
Cc1ccc(N2CNC(=N)NC2=[NH2+])cc1	ZINC000028128606	132333932	/nfs/dbraw/zinc/33/39/32/132333932.db2.gz	YRPVORXGCRKKRO-UHFFFAOYSA-N	1	3	203.249	0.402	1	0		BCAFHO
NCCC[NH2+]CCCCN1CCOC1=O	ZINC000001641918	181382153	/nfs/dbraw/zinc/38/21/53/181382153.db2.gz	FYXFEEQRPLBNDI-UHFFFAOYSA-N	1	3	215.297	0.157	1	0		BCAFHO
[NH3+]CCCNCCCCN1CCOC1=O	ZINC000001641918	181382154	/nfs/dbraw/zinc/38/21/54/181382154.db2.gz	FYXFEEQRPLBNDI-UHFFFAOYSA-N	1	3	215.297	0.157	1	0		BCAFHO
COCC(=O)CCCCC[NH2+]CCCN	ZINC000096282271	188500539	/nfs/dbraw/zinc/50/05/39/188500539.db2.gz	BFJLWELDVRFUJA-UHFFFAOYSA-N	1	3	216.325	0.701	1	0		BCAFHO