smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](C(=O)N1CCCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC000159737205 436863626 /nfs/dbraw/zinc/86/36/26/436863626.db2.gz YEIXMMMXPLETMB-INIZCTEOSA-N 2 0 338.496 0.873 10 70 ECIERP Cc1cc(N2CC[N@@H+](C(CO)CO)C[C@@H](O)C2)c2cc(F)ccc2[nH+]1 ZINC000217490545 241252406 /nfs/dbraw/zinc/25/24/06/241252406.db2.gz RSPSKBYRPMYXSJ-OAHLLOKOSA-N 2 0 349.406 0.518 10 70 ECIERP CCC[C@H](C(=O)N1CCCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC000159737337 436863526 /nfs/dbraw/zinc/86/35/26/436863526.db2.gz YEIXMMMXPLETMB-MRXNPFEDSA-N 2 0 338.496 0.873 10 70 ECIERP