smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C[N+]23CN4CN(CN(C4)C2)C3)c([O-])c(C[N+]23CN4CN(CN(C4)C2)C3)c1 ZINC000019324047 569419603 /nfs/dbraw/zinc/41/96/03/569419603.db2.gz QIXPGEPNMMBNEF-UHFFFAOYSA-O 1 3 414.558 -0.282 50 10 HBCAHO