smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(CCCCCCCCOc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000049036377 581095537 /nfs/dbraw/zinc/09/55/37/581095537.db2.gz SDCCOIUHZNWQIS-UHFFFAOYSA-N 1 3 403.655 4.885 1 0 HJAFHO