-ISIS- 08091621332D 14 15 0 0 0 0 0 0 0 0999 V2000 0.4250 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 7 3 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 6 4 1 0 0 0 0 14 11 1 0 0 0 0 M END > (BBL000473) BBL000473 > (BBL000473) 0 > (BBL000473) 2.215 > (BBL000473) 67.91 > (BBL000473) 1 > (BBL000473) 0 > (BBL000473) 2 > (BBL000473) 1-methyl-3-thioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile > (BBL000473) 204.30 > (BBL000473) C11H12N2S > (BBL000473) N#Cc1c(=S)[nH]c(c2c1CCCC2)C > (BBL000473) MFCD01106275 $$$$