"2" . "120.99" . "0.83" . "-5.3" . "4" . "[H][C@]1(CCCN1C(=O)CNC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N" . "433.5426" . "-0.07" . "0" . "-1.1" . "35.36" . "ChemAxon" . "0.68" . "InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)" . "377.268" . "2.63" . "250.11061308" . "5.07" . "ALOGPS" . "InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5+/m1/s1" . "1" .