smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)[C@]1(C)C[N@@H+](CC2(O)CCN(c3ccc(OC)cc3)CC2)CCO1	ZINC000585286455	570255745	/nfs/dbraw/zinc/25/57/45/570255745.db2.gz	PDUOFIWNVYZJRC-IBGZPJMESA-N	1	1	377.485	0.863	40	10		GCCBMO
O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3O)C2)C1	ZINC000514289510	560032486	/nfs/dbraw/zinc/03/24/86/560032486.db2.gz	MXYNAOOWISQNKZ-RBUKOAKNSA-N	1	1	394.475	0.933	40	10	biogenic,in-vitro	GCCBMO
O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3O)C2)C1	ZINC000514289511	560032370	/nfs/dbraw/zinc/03/23/70/560032370.db2.gz	MXYNAOOWISQNKZ-RTBURBONSA-N	1	1	394.475	0.933	40	10	biogenic,in-vitro	GCCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CCN(C(C)=O)C[C@H](CO)C3)CC2)cc1	ZINC000585285563	570255391	/nfs/dbraw/zinc/25/53/91/570255391.db2.gz	ZZVBVVKPKMACJY-GOSISDBHSA-N	1	1	391.512	0.799	40	10		GCCBMO
CNC(=O)[C@@]1(C)C[N@@H+](CC2(O)CCN(c3ccc(OC)cc3)CC2)CCO1	ZINC000585286461	570255626	/nfs/dbraw/zinc/25/56/26/570255626.db2.gz	PDUOFIWNVYZJRC-LJQANCHMSA-N	1	1	377.485	0.863	40	10		GCCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CCN(C(C)=O)C[C@@H](CO)C3)CC2)cc1	ZINC000585285564	570255330	/nfs/dbraw/zinc/25/53/30/570255330.db2.gz	ZZVBVVKPKMACJY-SFHVURJKSA-N	1	1	391.512	0.799	40	10		GCCBMO
COc1ccc(N2CCC(O)(C[N@H+]3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)cc1	ZINC000585282295	570250024	/nfs/dbraw/zinc/25/00/24/570250024.db2.gz	CZCAKMYLDIVVEO-ROUUACIJSA-N	1	1	375.469	0.568	40	10		GCCBMO