smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)NC(=O)c1cn(CCN2CCN(C(=O)CCCCCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)CC2)c(=O)[nH]c1=O ZINC000160446536 562849045 /nfs/dbraw/zinc/84/90/45/562849045.db2.gz SRFMWVMOIXLPID-PAGZJXIJSA-N 0 0 772.861 -0.059 1 70 KBIFRN CCOC(=O)NC(=O)c1cn(CCN2CCN(C(=O)CCCCCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)CC2)c(=O)[nH]c1=O ZINC000160446669 562849022 /nfs/dbraw/zinc/84/90/22/562849022.db2.gz SRFMWVMOIXLPID-WEQXORMXSA-N 0 0 772.861 -0.059 1 70 KBIFRN