smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]Cc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000011757255 361363765 /nfs/dbraw/zinc/36/37/65/361363765.db2.gz HNEZRBVEGHEGSL-UHFFFAOYSA-N 1 3 281.403 2.468 40 10 CECBHO