smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[NH2+]CC(=O)N(CC(=O)N(CC(N)=O)Cc1ccccc1)Cc1ccccc1	ZINC000013489138	562968477	/nfs/dbraw/zinc/96/84/77/562968477.db2.gz	CPLYQQUDNVOLLE-UHFFFAOYSA-N	2	0	467.574	-0.218	1	30		JBEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O	ZINC000026723173	563033900	/nfs/dbraw/zinc/03/39/00/563033900.db2.gz	VKDSXPVQCSNYMP-HNNXBMFYSA-N	2	0	468.562	-0.208	1	30		JBEFRP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NCCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O	ZINC000026723179	563033996	/nfs/dbraw/zinc/03/39/96/563033996.db2.gz	VKDSXPVQCSNYMP-OAHLLOKOSA-N	2	0	468.562	-0.208	1	30		JBEFRP
NS(=O)(=O)c1ccc(CCNC(=S)NNCCC[NH+]2CCN(CCC[NH3+])CC2)cc1	ZINC000028332039	563059632	/nfs/dbraw/zinc/05/96/32/563059632.db2.gz	GMADAIONXCOQMH-UHFFFAOYSA-N	2	0	457.670	-0.387	1	30	in-vivo	JBEFRP