smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2cc(N3CC[NH+](C)CC3)c(F)cc2[N+](=O)[O-])CC1	ZINC000004168668	518288976	/nfs/dbraw/zinc/28/89/76/518288976.db2.gz	ZBWFRRJCLQQMPG-UHFFFAOYSA-N	2	2	351.426	1.628	50	5		FDBALP
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CC[NH+](C)CC3)c2Cl)CC1	ZINC000004183678	518288500	/nfs/dbraw/zinc/28/85/00/518288500.db2.gz	CJOVTHJMUNPOJT-UHFFFAOYSA-N	2	2	353.854	1.752	50	5		FDBALP
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1	ZINC000225736274	537558328	/nfs/dbraw/zinc/55/83/28/537558328.db2.gz	MJLKMHXGHOBVRW-MAUKXSAKSA-N	2	2	359.382	1.883	50	5		FDBALP
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1	ZINC000225736274	537558332	/nfs/dbraw/zinc/55/83/32/537558332.db2.gz	MJLKMHXGHOBVRW-MAUKXSAKSA-N	2	2	359.382	1.883	50	5		FDBALP
CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000040151496	519641270	/nfs/dbraw/zinc/64/12/70/519641270.db2.gz	ZPYKEWMVXRNFJT-UHFFFAOYSA-N	2	2	370.475	1.241	50	5		FDBALP
CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000040151496	519641273	/nfs/dbraw/zinc/64/12/73/519641273.db2.gz	ZPYKEWMVXRNFJT-UHFFFAOYSA-N	2	2	370.475	1.241	50	5		FDBALP
C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CC[NH+](C)CC2)CC1	ZINC000005343314	132257483	/nfs/dbraw/zinc/25/74/83/132257483.db2.gz	HHGWDNFSHSGQIT-UHFFFAOYSA-N	2	2	371.445	1.042	50	5		FDBALP
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1	ZINC000225736302	537558304	/nfs/dbraw/zinc/55/83/04/537558304.db2.gz	MJLKMHXGHOBVRW-CRAIPNDOSA-N	2	2	359.382	1.883	50	5		FDBALP
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1	ZINC000225736302	537558309	/nfs/dbraw/zinc/55/83/09/537558309.db2.gz	MJLKMHXGHOBVRW-CRAIPNDOSA-N	2	2	359.382	1.883	50	5		FDBALP
c1cc2nc3ccc(=[N+]4CC[NH2+]CC4)cc-3sc2cc1N1CC[NH2+]CC1	ZINC000025758198	519080265	/nfs/dbraw/zinc/08/02/65/519080265.db2.gz	RGBSIUWULADADC-UHFFFAOYSA-N	3	2	366.514	1.186	50	5		FDBALP