smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)[nH+]c1ccccc1c2Oc1cccc2cccnc21 ZINC000005391061 181237979 /nfs/dbraw/zinc/23/79/79/181237979.db2.gz XPPMLWJBHLQKOQ-UHFFFAOYSA-N 1 1 322.367 5.729 40 5 DKBBMO O=[N+]([O-])c1ccc(Oc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000005594128 563330248 /nfs/dbraw/zinc/33/02/48/563330248.db2.gz UPDODHLUWLMAIB-UHFFFAOYSA-N 1 1 316.316 5.089 40 5 DKBBMO