-ISIS- 08091621332D 13 13 0 0 0 0 0 0 0 0999 V2000 2.5917 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7292 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7292 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 11 1 0 0 0 0 4 1 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 1 1 0 0 0 0 12 3 1 0 0 0 0 13 6 1 0 0 0 0 8 6 1 0 0 0 0 M END > (BBL000503) BBL000503 > (BBL000503) 4 > (BBL000503) 2.56 > (BBL000503) 62.6 > (BBL000503) 1 > (BBL000503) 2 > (BBL000503) 1 > (BBL000503) [(4-methylbenzyl)sulfanyl]acetic acid > (BBL000503) 196.27 > (BBL000503) C10H12O2S > (BBL000503) OC(=O)CSCc1ccc(cc1)C > (BBL000503) MFCD02755455 $$$$