smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cn1cnc(Cl)c1Cl)Nc1ccc(SC[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000218077938 569882640 /nfs/dbraw/zinc/88/26/40/569882640.db2.gz YBQFSYZDMHEKRG-GOEBONIOSA-N 1 1 454.427 4.580 50 70 JJIAMO