smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)C[C@H]([NH3+])C[C@H]1CNCCO1)[C@@H]1CN=C(NC(N)=O)NC1=O ZINC000169350245 206254060 /nfs/dbraw/zinc/25/40/60/206254060.db2.gz WFVGCTKAJWAEJX-KXUCPTDWSA-N 1 3 355.399 -2.937 1 0 FAAFHO