smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CC(Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227740913 975666972 /nfs/dbraw/zinc/66/69/72/975666972.db2.gz CRZUWLKUSYUZRR-UHFFFAOYSA-N -1 2 248.242 1.164 20 5 BDBDLM Cc1nnc(-c2cc([N+](=O)[O-])c(O)cc2[O-])o1 ZINC001253462886 969186010 /nfs/dbraw/zinc/18/60/10/969186010.db2.gz CHEMNHUYFYOGSP-UHFFFAOYSA-N -1 2 237.171 1.364 20 5 BDBDLM