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]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccsc2S1 ZINC000216914631 332187972 /nfs/dbraw/zinc/18/79/72/332187972.db2.gz KVBRIZJDBKUMHT-WFASDCNBSA-N 2 1 324.559 4.526 20 70 DJIDMP