smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OCC(=O)[O-])c2c(c1)n(C)c1cc(N3CCN(c4cccc[nH+]4)CC3)c(N)cc1c2=O ZINC000040423046 563142152 /nfs/dbraw/zinc/14/21/52/563142152.db2.gz QUKGYEMMEUBTQH-UHFFFAOYSA-N 0 2 489.532 2.468 1 5 JEBFLN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000013154512 520483197 /nfs/dbraw/zinc/48/31/97/520483197.db2.gz FIDCXUJDBRDPRI-PRWBYUBPSA-N 0 2 495.513 2.421 1 5 JEBFLN