smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCNCC3)cc1CNCC2=O ZINC000100035146 569751728 /nfs/dbraw/zinc/75/17/28/569751728.db2.gz IXSPBTMMZDNZKP-UYUITFNMSA-N 0 3 485.629 0.752 40 10 JCCBHN O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCNCC3)cc1CNCC2=O)N1CCOCC1 ZINC000100035158 569751735 /nfs/dbraw/zinc/75/17/35/569751735.db2.gz JPWRKKWLLCDPGJ-HNSCLNPNSA-N 0 3 497.640 0.848 40 10 JCCBHN