smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccccc1Cn1c(=O)c(I)cnc1N1CCC[C@@H](N)C1 ZINC000066111793 563158904 /nfs/dbraw/zinc/15/89/04/563158904.db2.gz YXBYVCCJGUUUSI-CQSZACIVSA-N 0 3 435.269 1.695 10 30 IDEEHN