smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000072726206 563527759 /nfs/dbraw/zinc/52/77/59/563527759.db2.gz HQCTYVLCMKBMEX-AWEZNQCLSA-N 2 2 322.368 3.631 50 5 DHBALP CC[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1cccc[nH+]1 ZINC000020230064 182199465 /nfs/dbraw/zinc/19/94/65/182199465.db2.gz MALVIEOGKXUMBJ-UHFFFAOYSA-N 2 2 318.872 3.838 50 5 DHBALP C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000072726207 563527670 /nfs/dbraw/zinc/52/76/70/563527670.db2.gz HQCTYVLCMKBMEX-CQSZACIVSA-N 2 2 322.368 3.631 50 5 DHBALP