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(c1nc2ccccc2c(=O)[n-]1)N1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217363522 526918313 /nfs/dbraw/zinc/91/83/13/526918313.db2.gz XROAGWHKPNNCJL-AWEZNQCLSA-N -1 1 355.354 -0.199 50 70 FBIAMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000217363608 526917453 /nfs/dbraw/zinc/91/74/53/526917453.db2.gz XROAGWHKPNNCJL-CQSZACIVSA-N -1 1 355.354 -0.199 50 70 FBIAMM Cc1cc(=O)n2nc(CC(=O)N3CCN(Cc4nnc[nH]4)CC3)[n-]c2n1 ZINC000217574949 525339937 /nfs/dbraw/zinc/33/99/37/525339937.db2.gz OWQGISXTXIJZLL-UHFFFAOYSA-N -1 1 357.378 -0.857 50 70 FBIAMM