smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[NH+](Cc2cc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)ccc2O)CC1 ZINC000019590064 556825009 /nfs/dbraw/zinc/82/50/09/556825009.db2.gz CKEABFMGBKBPOW-QPPBQGQZSA-N 2 0 444.526 2.527 40 10 IFCBRP