smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccccc2[nH]c1-c1c2ccccc2[nH+]c2ccccc21 ZINC000004117089 181075360 /nfs/dbraw/zinc/07/53/60/181075360.db2.gz XXFOEMKDZGIHKT-UHFFFAOYSA-N 1 2 308.384 5.845 50 5 DKBALO Cn1cc(-c2c3ccccc3[nH+]c3ccccc32)c2ccccc21 ZINC000004718575 181141841 /nfs/dbraw/zinc/14/18/41/181141841.db2.gz SIRABNIMZLVSGF-UHFFFAOYSA-N 1 2 308.384 5.547 50 5 DKBALO Cc1[nH]c2ccccc2c1-c1c2ccccc2[nH+]c2ccccc21 ZINC000005276903 181225893 /nfs/dbraw/zinc/22/58/93/181225893.db2.gz AYOPSHMBUPDBPU-UHFFFAOYSA-N 1 2 308.384 5.845 50 5 DKBALO