smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(Cc1ccccc1)c1ccccc1[O-] ZINC000003197928 717095076 /nfs/dbraw/zinc/09/50/76/717095076.db2.gz NRULYYRPFLUETO-UHFFFAOYSA-O 0 1 228.315 3.159 1 5 BGBFMN Nc1ccc2[nH]c3c(cnc4ccccc34)c2c1 ZINC000035940351 187596035 /nfs/dbraw/zinc/59/60/35/187596035.db2.gz ULVCBKQVYVXBHC-UHFFFAOYSA-N 0 1 233.274 3.452 1 5 BGBFMN