smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNc1nc(N2CCC[NH+](CCO)CC2)nc(N2CCC[N@@H+](CCO)CC2)n1	ZINC000804432090	1071707092	/nfs/dbraw/zinc/70/70/92/1071707092.db2.gz	QJUVWTMYMZPJIK-UHFFFAOYSA-N	2	0	418.546	-1.653	20	30		HAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1	ZINC001158735017	1072164883	/nfs/dbraw/zinc/16/48/83/1072164883.db2.gz	KAYIOSYWSHUPIN-KOLCDFICSA-N	2	0	422.485	-1.685	20	30		HAEDRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)C[NH2+]3)C[C@H]1C2	ZINC001160793797	1072215060	/nfs/dbraw/zinc/21/50/60/1072215060.db2.gz	HOMBRXALBFRWLB-WFTXNEMLSA-N	2	0	401.485	-1.450	20	30		HAEDRP
C=C(C[NH+]1CCCC1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N	ZINC001183080584	1071818963	/nfs/dbraw/zinc/81/89/63/1071818963.db2.gz	UTGBWADOOHVGHS-YAMOITTJSA-N	2	0	419.442	-1.955	20	30		HAEDRP
CC[C@@H](CC#N)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1	ZINC001255164755	1072324690	/nfs/dbraw/zinc/32/46/90/1072324690.db2.gz	NHZJZURBHAXYPZ-JYJNAYRXSA-N	2	0	420.518	-1.167	20	30		HAEDRP
CC[C@H](CC#N)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1	ZINC001255164770	1072324374	/nfs/dbraw/zinc/32/43/74/1072324374.db2.gz	NHZJZURBHAXYPZ-PMPSAXMXSA-N	2	0	420.518	-1.167	20	30		HAEDRP
C#CCNc1nc(N2CCC([NH2+]CCO)CC2)nc(N2CCC([NH2+]CCO)CC2)n1	ZINC001327599711	1072460517	/nfs/dbraw/zinc/46/05/17/1072460517.db2.gz	AXRZMXLQNQSMIQ-UHFFFAOYSA-N	2	0	418.546	-1.560	20	30		HAEDRP