smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)c1O	ZINC000237497995	854045003	/nfs/dbraw/zinc/04/50/03/854045003.db2.gz	URSQBPLAMLIAPB-UHFFFAOYSA-N	1	3	417.553	4.013	20	10		HICDHO
CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1	ZINC000303674327	855124606	/nfs/dbraw/zinc/12/46/06/855124606.db2.gz	FDWVGCLLSAMCAK-XMMPIXPASA-N	1	3	407.602	4.304	20	10		HICDHO
CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3ccn4c[nH+]cc4c3)no2)C1	ZINC000564277420	945489773	/nfs/dbraw/zinc/48/97/73/945489773.db2.gz	QNBRFRGVZYVYCS-UHFFFAOYSA-N	1	3	412.497	4.154	20	10		HICDHO
CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1	ZINC000303674324	855124446	/nfs/dbraw/zinc/12/44/46/855124446.db2.gz	FDWVGCLLSAMCAK-DEOSSOPVSA-N	1	3	407.602	4.304	20	10		HICDHO
c1ccc(N2CCN(Cc3ccccc3C[NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1	ZINC000236647638	853907169	/nfs/dbraw/zinc/90/71/69/853907169.db2.gz	LQUQUJJLHMRCJC-UHFFFAOYSA-N	1	3	413.565	4.234	20	10		HICDHO
[O-]c1ccccc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000238097897	854142495	/nfs/dbraw/zinc/14/24/95/854142495.db2.gz	SWHYFTZJTZAJAE-UHFFFAOYSA-N	1	3	407.480	4.103	20	10		HICDHO
O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cccc(CN2CCCC2)c1	ZINC000139372480	853408701	/nfs/dbraw/zinc/40/87/01/853408701.db2.gz	XNEZTGAAFMTJQC-UHFFFAOYSA-N	1	3	418.585	4.067	20	10		HICDHO