smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cncc(-c2cccc3c2C2(CN3c3ccc(C[NH+]4CCCC4)cn3)CC[NH2+]CC2)c1 ZINC001164904319 721568477 /nfs/dbraw/zinc/56/84/77/721568477.db2.gz DXFBNMAXMXIHDC-UHFFFAOYSA-N 2 0 425.580 4.512 20 10 IJCDRP C[N@H+](Cc1ccc(N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)nc1)C1CC1 ZINC001164906561 721568501 /nfs/dbraw/zinc/56/85/01/721568501.db2.gz KBFWHNBRDYUQQA-UHFFFAOYSA-N 2 0 425.580 4.511 20 10 IJCDRP