smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc2c(c1)[nH]c1cc3ccc(N)cc3[nH+]c12 ZINC000001648668 342707144 /nfs/dbraw/zinc/70/71/44/342707144.db2.gz VXJCEYHNPBHQOS-UHFFFAOYSA-N 1 1 248.289 3.034 40 5 BGBBMO CNc1ccc2cc3cc/c(=[NH+]\C)cc-3oc2c1 ZINC000031622516 188110748 /nfs/dbraw/zinc/11/07/48/188110748.db2.gz AZJKFDJTOJCKAN-GHRIWEEISA-N 1 1 238.290 3.110 40 5 in-vitro BGBBMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000057476675 177315051 /nfs/dbraw/zinc/31/50/51/177315051.db2.gz NZRQUCHMNUSTQX-TXEJJXNPSA-N 1 1 248.326 3.073 40 5 BGBBMO