smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000013142043 555341049 /nfs/dbraw/zinc/34/10/49/555341049.db2.gz MJOHOGSCUVWOFH-UHFFFAOYSA-N -1 2 497.511 4.055 50 5 JIBALM O=C1C2=C(c3ccccc3)[NH2+]N(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000100949341 569777594 /nfs/dbraw/zinc/77/75/94/569777594.db2.gz ZWNVFYNPUBFYSU-FPOVZHCZSA-N -1 2 491.301 4.140 50 5 JIBALM