smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)cc2F)CC1	ZINC001311895243	1069601907	/nfs/dbraw/zinc/60/19/07/1069601907.db2.gz	NGRAWIASJFUBGY-QHCPKHFHSA-N	2	1	459.654	3.812	20	10		JHCDMP
CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)CC1	ZINC001308586689	1070395470	/nfs/dbraw/zinc/39/54/70/1070395470.db2.gz	LTWDWZDOJGLGQZ-UHFFFAOYSA-N	2	1	451.611	3.737	20	10		JHCDMP
COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](Cc3ccc(N(C)C)cc3)C(C)C)CC2)cc1	ZINC001307424564	1069977902	/nfs/dbraw/zinc/97/79/02/1069977902.db2.gz	UHIICZRSRNJUPX-UHFFFAOYSA-N	2	1	452.643	3.706	20	10		JHCDMP
COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](Cc3ccc(N(C)C)cc3)C(C)C)CC2)cc1	ZINC001307424564	1069977909	/nfs/dbraw/zinc/97/79/09/1069977909.db2.gz	UHIICZRSRNJUPX-UHFFFAOYSA-N	2	1	452.643	3.706	20	10		JHCDMP
COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](Cc3ccc(N(C)C)cc3)C(C)C)CC2)cc1	ZINC001307424564	1069977913	/nfs/dbraw/zinc/97/79/13/1069977913.db2.gz	UHIICZRSRNJUPX-UHFFFAOYSA-N	2	1	452.643	3.706	20	10		JHCDMP
COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](Cc3ccc(N(C)C)cc3)C(C)C)CC2)cc1	ZINC001307424564	1069977919	/nfs/dbraw/zinc/97/79/19/1069977919.db2.gz	UHIICZRSRNJUPX-UHFFFAOYSA-N	2	1	452.643	3.706	20	10		JHCDMP
C[NH+]1CCN(c2ccc(C[NH2+]CC3(c4ccccc4)CC(O)(C(F)(F)F)C3)cc2F)CC1	ZINC001308543856	1070387735	/nfs/dbraw/zinc/38/77/35/1070387735.db2.gz	NQJPZTAPQJEYTM-UHFFFAOYSA-N	2	1	451.508	3.692	20	10		JHCDMP
CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)cc2F)CC1	ZINC001311895242	1069601941	/nfs/dbraw/zinc/60/19/41/1069601941.db2.gz	NGRAWIASJFUBGY-HSZRJFAPSA-N	2	1	459.654	3.812	20	10		JHCDMP