smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1CNc1[nH+]ccc2c3ccccc3[nH]c21 ZINC000072177337 176334064 /nfs/dbraw/zinc/33/40/64/176334064.db2.gz PSAUBJYVHBRMQU-UHFFFAOYSA-N 1 2 289.338 4.034 1 10 CICFLO Oc1ccccc1CNc1cc2c(c[nH+]1)[nH]c1ccccc12 ZINC000072175945 176334106 /nfs/dbraw/zinc/33/41/06/176334106.db2.gz NTCUQRPZMPVMAL-UHFFFAOYSA-N 1 2 289.338 4.034 1 10 CICFLO