smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCNc1[nH]cc(C)c2nc3ccc4ccccc4c3c1-2 ZINC000100791079 209217656 /nfs/dbraw/zinc/21/76/56/209217656.db2.gz ZUCLVTHRUPDCNP-UHFFFAOYSA-N 1 3 360.505 5.273 1 5 FKBFHO