smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)O[C@@]2([C@H]3C[C@@H](CO)C[C@H](Cc4ccc(N)[nH+]c4)C3)CC[C@@H]1[C@]([NH3+])(CCO)C2	ZINC000085543182	291217695	/nfs/dbraw/zinc/21/76/95/291217695.db2.gz	OCGMXCUROZSVPM-VPGZLLHJSA-N	2	1	417.594	2.659	1	0	biogenic,in-vitro	HFAFMP
Cc1cccc2cc(C[NH2+]CCCN3CCCC3=O)c(N3CC[N@H+]4CCC[C@@H]4C3)nc12	ZINC000012130112	132354517	/nfs/dbraw/zinc/35/45/17/132354517.db2.gz	AUAMICBMCFAYQR-JOCHJYFZSA-N	2	1	421.589	2.930	1	0		HFAFMP
C[C@@H]1CCCC[NH+]1C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1	ZINC000005487001	557657052	/nfs/dbraw/zinc/65/70/52/557657052.db2.gz	SUXCVKYOWFEMAD-COPRSSIGSA-N	2	1	420.594	2.915	1	0		HFAFMP
C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(OC[C@@H](O)C[NH+]2CCCC[C@@H]2C)cc1	ZINC000005487001	557657056	/nfs/dbraw/zinc/65/70/56/557657056.db2.gz	SUXCVKYOWFEMAD-COPRSSIGSA-N	2	1	420.594	2.915	1	0		HFAFMP
C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(OC[C@@H](O)C[NH+]2CCCC[C@@H]2C)cc1	ZINC000005487001	557657057	/nfs/dbraw/zinc/65/70/57/557657057.db2.gz	SUXCVKYOWFEMAD-COPRSSIGSA-N	2	1	420.594	2.915	1	0		HFAFMP
C[NH2+]CC[NH2+][C@H]1[C@@H]2CCC[C@]23C[C@]24C[C@H]1C=C[C@@]23[C@H](O)C[C@]1(C)CCC[C@@]4(O)C1	ZINC000085547452	291220840	/nfs/dbraw/zinc/22/08/40/291220840.db2.gz	PXJDZVSXEYQEIE-BFKSZZARSA-N	2	1	400.607	2.993	1	0	biogenic,in-vitro	HFAFMP
O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)N1CCc2c3ccccc3c(=O)[nH]c2C1	ZINC000013536362	581101358	/nfs/dbraw/zinc/10/13/58/581101358.db2.gz	UBHBDORRUFBWGK-UHFFFAOYSA-N	2	1	408.546	2.775	1	0		HFAFMP