smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12 ZINC001560410042 1066290969 /nfs/dbraw/zinc/29/09/69/1066290969.db2.gz VQIASOZZIZXIFD-DLGKEXDDSA-N 0 2 557.555 0.457 40 30 KCEBLN