smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1=C(N)N(Cc2ccccc2)C2=C(COC/C2=C\c2cccnc2)[C@H]1c1cccnc1 ZINC000101669154 1149457840 /nfs/dbraw/zinc/45/78/40/1149457840.db2.gz IPWZEAJGWAMAMY-KGONEIDKSA-N 0 0 433.515 4.138 10 50 IIGERN