smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)CN2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)CC1	ZINC000013718673	558580569	/nfs/dbraw/zinc/58/05/69/558580569.db2.gz	VSTBOMCMASVHHP-UHFFFAOYSA-N	2	2	412.604	-1.025	50	0		HAAALP
Cn1c2nc(CN3CC[NH+](C)CC3)n(CC[NH+]3CCOCC3)c2c(=O)n(C)c1=O	ZINC000022910045	558519491	/nfs/dbraw/zinc/51/94/91/558519491.db2.gz	XHJABLHWLCHNLB-UHFFFAOYSA-N	2	2	405.503	-1.487	50	0		HAAALP
CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC[NH+]2CCOCC2)CC1	ZINC000022923889	558522770	/nfs/dbraw/zinc/52/27/70/558522770.db2.gz	FAQUXOLULWVEOJ-UHFFFAOYSA-N	2	2	419.530	-1.097	50	0		HAAALP
C[NH+]1CCN(C(=O)CN2CC[NH+](C[C@@H](O)CN3C(=O)NC(C)(C)C3=O)CC2)CC1	ZINC000071281851	571290896	/nfs/dbraw/zinc/29/08/96/571290896.db2.gz	MVDJTUGTPFENBC-OAHLLOKOSA-N	2	2	410.519	-1.931	50	0		HAAALP
C[NH+]1CCN(C(=O)CN2CC[NH+](C[C@H](O)CN3C(=O)NC(C)(C)C3=O)CC2)CC1	ZINC000071281853	571290814	/nfs/dbraw/zinc/29/08/14/571290814.db2.gz	MVDJTUGTPFENBC-HNNXBMFYSA-N	2	2	410.519	-1.931	50	0		HAAALP
CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CC[NH3+])C(=O)[C@@H]24)O3)CC1	ZINC000952975957	1071778043	/nfs/dbraw/zinc/77/80/43/1071778043.db2.gz	TZLVYKYCOUPLGF-REGYPHIPSA-N	2	2	407.515	-1.426	50	0		HAAALP
CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CC[NH3+])C(=O)[C@@H]24)O3)CC1	ZINC000952975957	1071778040	/nfs/dbraw/zinc/77/80/40/1071778040.db2.gz	TZLVYKYCOUPLGF-REGYPHIPSA-N	2	2	407.515	-1.426	50	0		HAAALP