smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1n[nH]c(-c2[nH]nc(C(=O)OC)c2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000008763900 436032001 /nfs/dbraw/zinc/03/20/01/436032001.db2.gz ZBEHDGJBGCQKFT-UHFFFAOYSA-N -2 0 340.208 0.189 40 5 ECBBRL COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000001758256 209789899 /nfs/dbraw/zinc/78/98/99/209789899.db2.gz CCONEFCPIOMISR-VIFPVBQESA-N -2 0 326.261 0.651 40 5 ECBBRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000001676297 435961684 /nfs/dbraw/zinc/96/16/84/435961684.db2.gz WPAZMIBKHXQHSZ-SECBINFHSA-N -2 0 332.290 0.191 40 5 ECBBRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000002045536 206355857 /nfs/dbraw/zinc/35/58/57/206355857.db2.gz WPAZMIBKHXQHSZ-VIFPVBQESA-N -2 0 332.290 0.191 40 5 ECBBRL COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000002033535 435962684 /nfs/dbraw/zinc/96/26/84/435962684.db2.gz CCONEFCPIOMISR-SECBINFHSA-N -2 0 326.261 0.651 40 5 ECBBRL