smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=[NH2+])c1ccc(NC(=O)C=Cc2ccc(C(=O)Nc3ccc(C(=[NH2+])NC)cc3)cc2)cc1	ZINC000001692404	194131632	/nfs/dbraw/zinc/13/16/32/194131632.db2.gz	HQFBLIRTRNJVCH-FZSIALSZSA-N	2	0	454.534	3.471	40	30		JGEBRP
C=CC[N@@H+]1C[C@@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21	ZINC000001531027	553977943	/nfs/dbraw/zinc/97/79/43/553977943.db2.gz	KORNTPPJEAJQIU-RRPUWOKSSA-N	2	0	451.615	3.194	40	30		JGEBRP
N#Cc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCN(c3ccccc3)CC2)c1	ZINC000008635965	560106832	/nfs/dbraw/zinc/10/68/32/560106832.db2.gz	DHSCNZPZIUFJEW-JCYRPKCISA-N	2	0	458.610	3.212	40	30	biogenic,in-vitro	JGEBRP
CNC(=[NH+]C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(NC)=[NH+]C)cc3)cc2)cc1	ZINC000001684446	524036753	/nfs/dbraw/zinc/03/67/53/524036753.db2.gz	NUXFXNYHCMLJNG-UHFFFAOYSA-N	2	0	456.550	3.383	40	30		JGEBRP
CNC(=[NH+]C)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(/C(NC)=[NH+]/C)c3)cc2)c1	ZINC000001685580	553982522	/nfs/dbraw/zinc/98/25/22/553982522.db2.gz	XFFJCAMHWTXFHU-UHFFFAOYSA-N	2	0	456.550	3.383	40	30		JGEBRP