smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1[C@@H]2CCN(Cc3ccc(C#N)cc3)C[C@@]2(C(=O)N2CCOCC2)CCS1(=O)=O ZINC000575557538 1069863598 /nfs/dbraw/zinc/86/35/98/1069863598.db2.gz FUEQEKDSBDLRFG-GGAORHGYSA-N 0 3 476.599 0.660 50 30 JCEAHN