smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(=C/C/C=N/c1ccccc1)\C=[NH+]\c1ccccc1 ZINC000018100176 166225416 /nfs/dbraw/zinc/22/54/16/166225416.db2.gz OYTZUGLPJZKBKS-CSRPTTBYSA-N 1 1 248.329 4.738 50 30 BJEAMO CCCCCCCCCCCC(=[NH2+])OC ZINC000100293268 384300059 /nfs/dbraw/zinc/30/00/59/384300059.db2.gz UTJZJSYTQLJDPG-UHFFFAOYSA-N 1 1 213.365 4.531 50 30 BJEAMO