smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c(/C=N/CCC[NH+]2CCOCC2)c(NCCC[NH+]2CCOCC2)nc2ccccn21 ZINC000096517721 569182672 /nfs/dbraw/zinc/18/26/72/569182672.db2.gz ZMXIMAGIPWQORV-LYBHJNIJSA-N 2 2 442.564 0.970 50 30 ICEALP