smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(CC#N)cc[nH+]3)CC2)c2ccccc21 ZINC001164686868 719674690 /nfs/dbraw/zinc/67/46/90/719674690.db2.gz YOFZKMYFPKMKTR-NRFANRHFSA-N 2 2 431.584 3.241 20 30 IGEDLP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(CC#N)cc[nH+]3)CC2)c2ccccc21 ZINC001164686875 719674484 /nfs/dbraw/zinc/67/44/84/719674484.db2.gz YOFZKMYFPKMKTR-OAQYLSRUSA-N 2 2 431.584 3.241 20 30 IGEDLP