smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC000019287973 507163057 /nfs/dbraw/zinc/16/30/57/507163057.db2.gz HRAGXZOHSIUQET-UHFFFAOYSA-N 2 1 354.498 2.819 40 10 FFCBMP