smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000514293357	1066235688	/nfs/dbraw/zinc/23/56/88/1066235688.db2.gz	PRTHBAFLIQJBNU-UHFFFAOYSA-N	1	1	557.673	2.177	20	5		KEBDMO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C[C@H](O)COCc3ccccc3F)CC2)c([N+](=O)[O-])c1	ZINC000514296930	1066245353	/nfs/dbraw/zinc/24/53/53/1066245353.db2.gz	QKYPCRZRHAPTLA-FQEVSTJZSA-N	1	1	524.615	2.464	20	5		KEBDMO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C[C@@H](O)COCc3ccccc3F)CC2)c([N+](=O)[O-])c1	ZINC000514296937	1066245462	/nfs/dbraw/zinc/24/54/62/1066245462.db2.gz	QKYPCRZRHAPTLA-HXUWFJFHSA-N	1	1	524.615	2.464	20	5		KEBDMO
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)c([N+](=O)[O-])c1	ZINC000514299445	1066260323	/nfs/dbraw/zinc/26/03/23/1066260323.db2.gz	GJVWQRTYVFXLJU-NRFANRHFSA-N	1	1	539.699	2.315	20	5		KEBDMO
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)c([N+](=O)[O-])c1	ZINC000514299446	1066260167	/nfs/dbraw/zinc/26/01/67/1066260167.db2.gz	GJVWQRTYVFXLJU-OAQYLSRUSA-N	1	1	539.699	2.315	20	5		KEBDMO
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000514379734	1066293193	/nfs/dbraw/zinc/29/31/93/1066293193.db2.gz	XUKAWDMISPYICA-UHFFFAOYSA-N	1	1	576.701	2.351	20	5		KEBDMO
Cc1cccc(C[NH+]2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)N5CCOCC5)cc4[N+](=O)[O-])CC3)CC2)c1	ZINC000514382352	1066324678	/nfs/dbraw/zinc/32/46/78/1066324678.db2.gz	KJMKTQGOSDKYIN-UHFFFAOYSA-N	1	1	571.700	2.485	20	5		KEBDMO
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1	ZINC000514387173	1066309070	/nfs/dbraw/zinc/30/90/70/1066309070.db2.gz	KBPNXOLQNSFBBG-UHFFFAOYSA-N	1	1	502.597	2.477	20	5		KEBDMO
COc1ccc(C[N@H+]2CCCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[N+](=O)[O-])CC2)cc1	ZINC000514391717	1066337746	/nfs/dbraw/zinc/33/77/46/1066337746.db2.gz	PMBPIOPTVIVELJ-UHFFFAOYSA-N	1	1	503.625	2.252	20	5		KEBDMO
NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	ZINC000514392311	1066323710	/nfs/dbraw/zinc/32/37/10/1066323710.db2.gz	UOXBRTGCTRXTCK-UHFFFAOYSA-N	1	1	501.487	2.412	20	5		KEBDMO
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000514403629	1066336868	/nfs/dbraw/zinc/33/68/68/1066336868.db2.gz	WGQFKIHLDFDBND-UHFFFAOYSA-N	1	1	554.625	2.492	20	5		KEBDMO