smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccccc1CN1CC[NH+](Cc2ccccc2O)CCN(Cc2ccccc2O)CC[NH+](Cc2ccccc2O)CC1	ZINC000068606276	553592865	/nfs/dbraw/zinc/59/28/65/553592865.db2.gz	GXBXRDBSGVMURQ-UHFFFAOYSA-N	2	0	596.772	4.831	40	10		KJCBRP
N#[N+]C1C=Cc2c(cccc2S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4cccc5c4C=CC([N+]#N)C5=O)cc3)cc2)C1=O	ZINC000150388346	571470872	/nfs/dbraw/zinc/47/08/72/571470872.db2.gz	QVIFZKFOCUMTRT-UHFFFAOYSA-N	2	0	648.682	4.716	40	10		KJCBRP
CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4ccc(C(=O)OCC[NH+](CC)CC)cc4)C3=O)SC2=S)cc1	ZINC000150409297	571481580	/nfs/dbraw/zinc/48/15/80/571481580.db2.gz	JONJMZIOLPUVPG-QNEJGDQOSA-N	2	0	843.088	4.973	40	10		KJCBRP