-ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 1.4375 1.2333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.4208 0.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1125 1.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 1.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 1.7333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.2125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 1.3208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 2.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 2 1 0 0 0 0 15 10 1 0 0 0 0 16 4 2 0 0 0 0 17 18 2 0 0 0 0 18 16 1 0 0 0 0 5 17 1 0 0 0 0 M END > (S0763) S0763 > (S0763) 2-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)acetic acid > (S0763) 85845-02-9 > (S0763) FL; AA; SA > (S0763) glycine, N-[[3-(trifluoromethyl)phenyl]sulfonyl]- > (S0763) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 0.7167 1.3833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5417 1.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.1042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 15 10 2 0 0 0 0 M END > (S0764) S0764 > (S0764) 2-{[(3-chlorophenyl)sulfonyl]amino}acetic acid > (S0764) none > (S0764) HA; AA; SA > (S0764) glycine, N-[(3-chlorophenyl)sulfonyl]- > (S0764) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 1.3875 2.7333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2042 2.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 1.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 15 10 2 0 0 0 0 M END > (S0765) S0765 > (S0765) 2-{[(3-methoxyphenyl)sulfonyl]amino}acetic acid > (S0765) none > (S0765) AA; SA > (S0765) glycine, N-[(3-methoxyphenyl)sulfonyl]- > (S0765) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 1.1667 1.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9542 2.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -0.2667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 15 10 2 0 0 0 0 M END > (S0766) S0766 > (S0766) 2-{[(3-fluorophenyl)sulfonyl]amino}acetic acid > (S0766) none > (S0766) FL; AA; SA > (S0766) glycine, N-[(3-fluorophenyl)sulfonyl]- > (S0766) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 1.3500 0.9333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.5875 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 1.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 1.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 12 2 0 0 0 0 15 8 1 0 0 0 0 16 12 1 0 0 0 0 14 11 1 0 0 0 0 M END > (S0767) S0767 > (S0767) 2-{[(2,5-dimethylphenyl)sulfonyl]amino}acetic acid > (S0767) 13240-18-1 > (S0767) AA; SA > (S0767) glycine, N-[(2,5-dimethylphenyl)sulfonyl]- > (S0767) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 1.6917 0.9000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8792 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 5 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 4 1 0 0 0 0 16 3 1 0 0 0 0 17 6 1 0 0 0 0 18 7 1 0 0 0 0 8 6 1 0 0 0 0 M END > (S0768) S0768 > (S0768) 2-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}acetic acid > (S0768) 379250-94-9 > (S0768) AA; SA > (S0768) glycine, N-[(2,3,5,6-tetramethylphenyl)sulfonyl]- > (S0768) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 2.3667 0.8833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0875 1.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2167 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 10 5 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 5 1 0 0 0 0 16 8 1 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 14 9 2 0 0 0 0 M END > (S0769) S0769 > (S0769) 2-({[4-(tert-butyl)phenyl]sulfonyl}amino)acetic acid > (S0769) 159855-97-7 > (S0769) AA; SA > (S0769) glycine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]- > (S0769) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 1.0667 1.6250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0667 2.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7792 2.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0667 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.1417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -1.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 3.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 10 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 6 1 0 0 0 0 16 4 1 0 0 0 0 17 5 2 0 0 0 0 18 19 2 0 0 0 0 19 17 1 0 0 0 0 18 7 1 0 0 0 0 M END > (S0770) S0770 > (S0770) N-{[3-(trifluoromethyl)phenyl]sulfonyl}alanine > (S0770) 288266-54-6 > (S0770) FL; AA; SA > (S0770) alanine, N-[[3-(trifluoromethyl)phenyl]sulfonyl]- > (S0770) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 0.3875 1.2083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3875 2.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 2.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3875 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 16 10 2 0 0 0 0 M END > (S0771) S0771 > (S0771) N-[(3-chlorophenyl)sulfonyl]alanine > (S0771) none > (S0771) HA; AA; SA > (S0771) alanine, N-[(3-chlorophenyl)sulfonyl]- > (S0771) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 0.3750 1.6958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3750 2.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 2.9333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3750 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 2.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 10 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 16 10 2 0 0 0 0 M END > (S0772) S0772 > (S0772) N-[(3-methoxyphenyl)sulfonyl]alanine > (S0772) none > (S0772) AA; SA > (S0772) alanine, N-[(3-methoxyphenyl)sulfonyl]- > (S0772) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 0.3792 1.2083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3792 2.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 2.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3792 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -1.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 16 10 2 0 0 0 0 M END > (S0773) S0773 > (S0773) N-[(3-fluorophenyl)sulfonyl]alanine > (S0773) none > (S0773) FL; AA; SA > (S0773) alanine, N-[(3-fluorophenyl)sulfonyl]- > (S0773) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 1.3292 0.9250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1417 1.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 1.8333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2500 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 13 2 0 0 0 0 15 4 1 0 0 0 0 16 8 1 0 0 0 0 17 13 1 0 0 0 0 14 11 1 0 0 0 0 M END > (S0774) S0774 > (S0774) N-[(2,5-dimethylphenyl)sulfonyl]alanine > (S0774) none > (S0774) AA; SA > (S0774) alanine, N-[(2,5-dimethylphenyl)sulfonyl]- > (S0774) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 1.8042 0.9250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0250 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 2.0208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4000 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 9 2 0 0 0 0 13 7 2 0 0 0 0 14 7 1 0 0 0 0 15 4 1 0 0 0 0 16 5 1 0 0 0 0 17 6 1 0 0 0 0 18 9 1 0 0 0 0 19 8 1 0 0 0 0 8 12 1 0 0 0 0 M END > (S0775) S0775 > (S0775) N-[(2,3,5,6-tetramethylphenyl)sulfonyl]alanine > (S0775) none > (S0775) AA; SA > (S0775) alanine, N-[(2,3,5,6-tetramethylphenyl)sulfonyl]- > (S0775) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 2.3792 0.8500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1167 1.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 2.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8792 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2042 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 3.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 3 1 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 14 9 2 0 0 0 0 M END > (S0776) S0776 > (S0776) N-{[4-(tert-butyl)phenyl]sulfonyl}alanine > (S0776) 159855-98-8 > (S0776) AA; SA > (S0776) alanine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]- > (S0776) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.8167 -3.4792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6417 -3.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 16 2 0 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 8 2 0 0 0 0 19 11 1 0 0 0 0 20 11 2 0 0 0 0 21 18 1 0 0 0 0 22 21 2 0 0 0 0 14 17 1 0 0 0 0 20 22 1 0 0 0 0 M END > (S0779) S0779 > (S0779) 2-({[4-(2-methylphenoxy)phenyl]sulfonyl}amino)acetic acid > (S0779) none > (S0779) BP; AA; SA > (S0779) glycine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0779) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.7417 0.8583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3167 1.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 2.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5542 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 16 2 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 3 1 0 0 0 0 19 8 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 19 1 0 0 0 0 23 22 2 0 0 0 0 14 17 1 0 0 0 0 21 23 1 0 0 0 0 M END > (S0780) S0780 > (S0780) N-{[4-(2-methylphenoxy)phenyl]sulfonyl}alanine > (S0780) none > (S0780) BP; AA; SA > (S0780) alanine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0780) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 4.0042 1.0125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 1.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7250 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 8 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 19 1 0 0 0 0 25 24 2 0 0 0 0 15 18 1 0 0 0 0 21 25 1 0 0 0 0 M END > (S0781) S0781 > (S0781) N-{[4-(2-methylphenoxy)phenyl]sulfonyl}valine > (S0781) none > (S0781) BP; AA; SA > (S0781) valine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0781) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 2.7417 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 10 1 0 0 0 0 20 8 2 0 0 0 0 21 12 1 0 0 0 0 22 12 2 0 0 0 0 23 19 1 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 26 25 2 0 0 0 0 15 18 1 0 0 0 0 22 26 1 0 0 0 0 M END > (S0783) S0783 > (S0783) N-{[4-(2-methylphenoxy)phenyl]sulfonyl}leucine > (S0783) none > (S0783) BP; AA; SA > (S0783) leucine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0783) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 2.7417 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 3 1 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 21 8 2 0 0 0 0 22 11 1 0 0 0 0 23 11 2 0 0 0 0 24 19 1 0 0 0 0 25 21 1 0 0 0 0 26 25 2 0 0 0 0 15 18 1 0 0 0 0 23 26 1 0 0 0 0 M END > (S0784) S0784 > (S0784) methyl-N-{[4-(2-methylphenoxy)phenyl]sulfonyl}homocysteine > (S0784) none > (S0784) BP; AA; SA > (S0784) homocysteine, S-methyl-N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0784) true $$$$ -ISIS- 11270914432D 25 27 0 0 0 0 0 0 0 0999 V2000 0.9417 -2.6375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3667 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4250 -3.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7333 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 2 1 0 0 0 0 15 18 2 0 0 0 0 16 4 1 0 0 0 0 17 3 1 0 0 0 0 18 13 1 0 0 0 0 19 12 2 0 0 0 0 20 14 1 0 0 0 0 21 8 2 0 0 0 0 22 11 1 0 0 0 0 23 11 2 0 0 0 0 24 21 1 0 0 0 0 25 24 2 0 0 0 0 15 19 1 0 0 0 0 20 17 1 0 0 0 0 23 25 1 0 0 0 0 M END > (S0785) S0785 > (S0785) 1-{[4-(2-methylphenoxy)phenyl]sulfonyl}proline > (S0785) none > (S0785) BP; AA; SA > (S0785) proline, 1-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0785) true $$$$ -ISIS- 11270914432D 29 31 0 0 0 0 0 0 0 0999 V2000 1.5667 1.6083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9667 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7167 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 18 2 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 19 13 2 0 0 0 0 20 8 2 0 0 0 0 21 12 1 0 0 0 0 22 12 2 0 0 0 0 23 17 1 0 0 0 0 24 17 2 0 0 0 0 25 20 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 23 2 0 0 0 0 29 27 2 0 0 0 0 15 19 1 0 0 0 0 28 29 1 0 0 0 0 22 26 1 0 0 0 0 M END > (S0786) S0786 > (S0786) N-{[4-(2-methylphenoxy)phenyl]sulfonyl}phenylalanine > (S0786) none > (S0786) BP; AA; SA > (S0786) phenylalanine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0786) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 1.7667 0.1708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1917 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 2 1 0 0 0 0 13 2 2 0 0 0 0 14 17 2 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 6 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 19 1 0 0 0 0 23 22 2 0 0 0 0 14 18 1 0 0 0 0 21 23 1 0 0 0 0 M END > (S0787) S0787 > (S0787) N-{[4-(2-methylphenoxy)phenyl]sulfonyl}-beta-alanine > (S0787) none > (S0787) BP; AA; SA > (S0787) beta-alanine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0787) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.8125 -3.4750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6375 -3.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 1.4958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 18 2 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 8 2 0 0 0 0 20 10 2 0 0 0 0 21 19 1 0 0 0 0 22 21 2 0 0 0 0 14 17 1 0 0 0 0 20 22 1 0 0 0 0 M END > (S0790) S0790 > (S0790) 2-({[4-(2-chlorophenoxy)phenyl]sulfonyl}amino)acetic acid > (S0790) none > (S0790) HA; BP; AA; SA > (S0790) glycine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0790) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.9625 0.8583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5375 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 2.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7750 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 3.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -3.4417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 18 2 0 0 0 0 15 4 1 0 0 0 0 16 11 1 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 3 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 20 1 0 0 0 0 23 22 2 0 0 0 0 14 17 1 0 0 0 0 21 23 1 0 0 0 0 M END > (S0791) S0791 > (S0791) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}alanine > (S0791) none > (S0791) HA; BP; AA; SA > (S0791) alanine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0791) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 4.0042 0.9500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7250 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -4.0167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 19 2 0 0 0 0 16 4 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 14 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 20 1 0 0 0 0 25 24 2 0 0 0 0 15 18 1 0 0 0 0 21 25 1 0 0 0 0 M END > (S0792) S0792 > (S0792) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}valine > (S0792) none > (S0792) HA; BP; AA; SA > (S0792) valine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0792) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 2.9667 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2417 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5042 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -3.4292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 19 2 0 0 0 0 16 4 1 0 0 0 0 17 12 1 0 0 0 0 18 13 2 0 0 0 0 19 14 1 0 0 0 0 20 10 1 0 0 0 0 21 8 2 0 0 0 0 22 12 2 0 0 0 0 23 20 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 25 2 0 0 0 0 15 18 1 0 0 0 0 22 26 1 0 0 0 0 M END > (S0794) S0794 > (S0794) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}leucine > (S0794) none > (S0794) HA; BP; AA; SA > (S0794) leucine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0794) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 2.9625 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2417 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5042 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -3.4292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 3 1 0 0 0 0 15 19 2 0 0 0 0 16 4 1 0 0 0 0 17 11 1 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 22 8 2 0 0 0 0 23 11 2 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 26 25 2 0 0 0 0 15 18 1 0 0 0 0 23 26 1 0 0 0 0 M END > (S0795) S0795 > (S0795) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}(methyl)homocysteine > (S0795) none > (S0795) HA; BP; AA; SA > (S0795) homocysteine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]-S-methyl- > (S0795) true $$$$ -ISIS- 11270914432D 25 27 0 0 0 0 0 0 0 0999 V2000 0.9375 -2.6292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3625 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4250 -3.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7375 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.8333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 2 1 0 0 0 0 15 20 2 0 0 0 0 16 4 1 0 0 0 0 17 3 1 0 0 0 0 18 11 1 0 0 0 0 19 12 2 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 8 2 0 0 0 0 23 11 2 0 0 0 0 24 22 1 0 0 0 0 25 24 2 0 0 0 0 15 19 1 0 0 0 0 21 17 1 0 0 0 0 23 25 1 0 0 0 0 M END > (S0796) S0796 > (S0796) 1-{[4-(2-chlorophenoxy)phenyl]sulfonyl}proline > (S0796) none > (S0796) HA; BP; AA; SA > (S0796) proline, 1-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0796) true $$$$ -ISIS- 11270914432D 29 31 0 0 0 0 0 0 0 0999 V2000 1.7875 1.6083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1917 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 4.0792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 20 2 0 0 0 0 16 4 1 0 0 0 0 17 12 1 0 0 0 0 18 10 1 0 0 0 0 19 13 2 0 0 0 0 20 14 1 0 0 0 0 21 8 2 0 0 0 0 22 12 2 0 0 0 0 23 18 1 0 0 0 0 24 18 2 0 0 0 0 25 21 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 23 2 0 0 0 0 29 27 2 0 0 0 0 15 19 1 0 0 0 0 28 29 1 0 0 0 0 22 26 1 0 0 0 0 M END > (S0797) S0797 > (S0797) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}phenylalanine > (S0797) none > (S0797) HA; BP; AA; SA > (S0797) phenylalanine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0797) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 1.9917 0.1750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 0.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -4.1167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 6 1 0 0 0 0 11 5 2 0 0 0 0 12 2 1 0 0 0 0 13 2 2 0 0 0 0 14 19 2 0 0 0 0 15 7 1 0 0 0 0 16 10 1 0 0 0 0 17 5 1 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 6 2 0 0 0 0 21 10 2 0 0 0 0 22 20 1 0 0 0 0 23 22 2 0 0 0 0 14 18 1 0 0 0 0 21 23 1 0 0 0 0 M END > (S0798) S0798 > (S0798) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}-beta-alanine > (S0798) none > (S0798) HA; BP; AA; SA > (S0798) beta-alanine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0798) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.7792 -3.4667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6042 -3.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 16 2 0 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 10 1 0 0 0 0 19 8 2 0 0 0 0 20 10 2 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 22 2 0 0 0 0 14 17 1 0 0 0 0 20 23 1 0 0 0 0 M END > (S0801) S0801 > (S0801) 2-({[4-(2-methoxyphenoxy)phenyl]sulfonyl}amino)acetic acid > (S0801) none > (S0801) BP; AA; SA > (S0801) glycine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0801) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 2.5750 0.8583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 0.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -2.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 16 2 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 11 1 0 0 0 0 19 3 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 18 1 0 0 0 0 23 20 1 0 0 0 0 24 23 2 0 0 0 0 14 17 1 0 0 0 0 21 24 1 0 0 0 0 M END > (S0802) S0802 > (S0802) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}alanine > (S0802) none > (S0802) BP; AA; SA > (S0802) alanine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0802) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 3.7542 0.9458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.9292 0.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.6583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9292 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 3.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 1.6583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4667 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -4.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 11 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 26 25 2 0 0 0 0 15 18 1 0 0 0 0 21 26 1 0 0 0 0 M END > (S0803) S0803 > (S0803) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}valine > (S0803) none > (S0803) BP; AA; SA > (S0803) valine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0803) true $$$$ -ISIS- 11270914432D 27 28 0 0 0 0 0 0 0 0999 V2000 2.5750 0.8625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0125 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 12 1 0 0 0 0 20 10 1 0 0 0 0 21 8 2 0 0 0 0 22 12 2 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 26 2 0 0 0 0 15 18 1 0 0 0 0 22 27 1 0 0 0 0 M END > (S0805) S0805 > (S0805) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}leucine > (S0805) none > (S0805) BP; AA; SA > (S0805) leucine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0805) true $$$$ -ISIS- 11270914432D 27 28 0 0 0 0 0 0 0 0999 V2000 2.5667 0.8625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8500 0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1125 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 3 1 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 21 1 0 0 0 0 20 11 1 0 0 0 0 21 14 1 0 0 0 0 22 8 2 0 0 0 0 23 11 2 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 26 22 1 0 0 0 0 27 26 2 0 0 0 0 15 18 1 0 0 0 0 23 27 1 0 0 0 0 M END > (S0806) S0806 > (S0806) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}(methyl)homocysteine > (S0806) none > (S0806) BP; AA; SA > (S0806) homocysteine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]-S-methyl- > (S0806) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 0.9292 -2.6917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3625 -3.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4333 -3.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7458 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 2 1 0 0 0 0 15 18 2 0 0 0 0 16 4 1 0 0 0 0 17 3 1 0 0 0 0 18 13 1 0 0 0 0 19 12 2 0 0 0 0 20 11 1 0 0 0 0 21 14 1 0 0 0 0 22 8 2 0 0 0 0 23 11 2 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 26 25 2 0 0 0 0 15 19 1 0 0 0 0 21 17 1 0 0 0 0 23 26 1 0 0 0 0 M END > (S0807) S0807 > (S0807) 1-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}proline > (S0807) none > (S0807) BP; AA; SA > (S0807) proline, 1-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0807) true $$$$ -ISIS- 11270914432D 30 32 0 0 0 0 0 0 0 0999 V2000 1.3917 1.6208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8000 0.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5500 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 3.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 18 2 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 19 13 2 0 0 0 0 20 12 1 0 0 0 0 21 8 2 0 0 0 0 22 12 2 0 0 0 0 23 17 1 0 0 0 0 24 17 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 26 2 0 0 0 0 28 23 2 0 0 0 0 29 24 1 0 0 0 0 30 29 2 0 0 0 0 15 19 1 0 0 0 0 28 30 1 0 0 0 0 22 27 1 0 0 0 0 M END > (S0808) S0808 > (S0808) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}phenylalanine > (S0808) none > (S0808) BP; AA; SA > (S0808) phenylalanine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0808) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 1.5875 0.1750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 6 1 0 0 0 0 11 5 2 0 0 0 0 12 2 1 0 0 0 0 13 2 2 0 0 0 0 14 17 2 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 10 1 0 0 0 0 20 6 2 0 0 0 0 21 10 2 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 23 2 0 0 0 0 14 18 1 0 0 0 0 21 24 1 0 0 0 0 M END > (S0809) S0809 > (S0809) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}-beta-alanine > (S0809) none > (S0809) BP; AA; SA > (S0809) beta-alanine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0809) true $$$$ -ISIS- 11270914432D 21 21 0 0 0 0 0 0 0 0999 V2000 4.2667 -0.5292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5500 -0.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 0.7333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7792 -1.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 1.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.9625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.1375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -2.7875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.1458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9875 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 10 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 3 1 0 0 0 0 16 6 1 0 0 0 0 17 5 2 0 0 0 0 18 19 2 0 0 0 0 19 17 1 0 0 0 0 20 15 1 0 0 0 0 21 15 1 0 0 0 0 18 7 1 0 0 0 0 M END > (S0810) S0810 > (S0810) N-{[3-(trifluoromethyl)phenyl]sulfonyl}valine > (S0810) 250714-85-3 > (S0810) FL; AA; SA > (S0810) valine, N-[[3-(trifluoromethyl)phenyl]sulfonyl]- > (S0810) true $$$$ -ISIS- 11270914432D 22 22 0 0 0 0 0 0 0 0999 V2000 3.9250 0.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0917 0.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 -2.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9167 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -2.8792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.7417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.1792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 1.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 1.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 10 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 5 2 0 0 0 0 18 19 2 0 0 0 0 19 17 1 0 0 0 0 20 11 1 0 0 0 0 21 20 1 0 0 0 0 22 20 1 0 0 0 0 18 7 1 0 0 0 0 M END > (S0812) S0812 > (S0812) N-{[3-(trifluoromethyl)phenyl]sulfonyl}leucine > (S0812) 251097-65-1 > (S0812) FL; AA; SA > (S0812) leucine, N-[[3-(trifluoromethyl)phenyl]sulfonyl]- > (S0812) true $$$$ -ISIS- 11270914432D 22 22 0 0 0 0 0 0 0 0999 V2000 3.9250 0.2125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0917 0.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -2.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6792 0.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9167 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 2.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -2.6917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.5542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.9917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 1.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 10 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 21 1 0 0 0 0 18 5 2 0 0 0 0 19 20 2 0 0 0 0 20 18 1 0 0 0 0 21 15 1 0 0 0 0 22 17 1 0 0 0 0 19 7 1 0 0 0 0 M END > (S0813) S0813 > (S0813) methyl-N-{[3-(trifluoromethyl)phenyl]sulfonyl}homocysteine > (S0813) none > (S0813) FL; AA; SA > (S0813) homocysteine, S-methyl-N-[[3-(trifluoromethyl)phenyl]sulfonyl]- > (S0813) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4500 -1.4792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.6750 -1.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0375 -1.2375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2667 -1.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2292 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.4917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -2.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -1.3292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 10 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 2 1 0 0 0 0 16 6 1 0 0 0 0 17 3 1 0 0 0 0 18 5 2 0 0 0 0 19 15 1 0 0 0 0 20 21 2 0 0 0 0 21 18 1 0 0 0 0 19 17 1 0 0 0 0 20 7 1 0 0 0 0 M END > (S0814) S0814 > (S0814) 1-{[3-(trifluoromethyl)phenyl]sulfonyl}proline > (S0814) 251096-97-6 > (S0814) FL; AA; SA > (S0814) proline, 1-[[3-(trifluoromethyl)phenyl]sulfonyl]- > (S0814) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 2.7167 0.8125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1167 0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5917 0.7833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 0.3583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 0.0583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 10 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 11 1 0 0 0 0 18 5 2 0 0 0 0 19 20 2 0 0 0 0 20 18 1 0 0 0 0 21 17 1 0 0 0 0 22 17 2 0 0 0 0 23 22 1 0 0 0 0 24 21 2 0 0 0 0 25 23 2 0 0 0 0 19 7 1 0 0 0 0 25 24 1 0 0 0 0 M END > (S0815) S0815 > (S0815) N-{[3-(trifluoromethyl)phenyl]sulfonyl}phenylalanine > (S0815) 250714-63-7 > (S0815) FL; AA; SA > (S0815) phenylalanine, N-[[3-(trifluoromethyl)phenyl]sulfonyl]- > (S0815) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.3667 -0.6542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9292 -3.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3667 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -3.5625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -2.4167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -3.8625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 15 1 0 0 0 0 11 8 2 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 2 1 0 0 0 0 15 9 1 0 0 0 0 16 8 1 0 0 0 0 17 3 2 0 0 0 0 18 19 2 0 0 0 0 19 17 1 0 0 0 0 18 4 1 0 0 0 0 M END > (S0816) S0816 > (S0816) N-{[3-(trifluoromethyl)phenyl]sulfonyl}-beta-alanine > (S0816) none > (S0816) FL; AA; SA > (S0816) beta-alanine, N-[[3-(trifluoromethyl)phenyl]sulfonyl]- > (S0816) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 3.0625 -1.9417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4875 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -2.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.5125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 8 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 13 15 2 0 0 0 0 M END > (S0819) S0819 > (S0819) 2-{[(2-fluorophenyl)sulfonyl]amino}acetic acid > (S0819) none > (S0819) FL; AA; SA > (S0819) glycine, N-[(2-fluorophenyl)sulfonyl]- > (S0819) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 3.5875 -0.4667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5875 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 0.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 0.7708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0167 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 5 2 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 4 1 0 0 0 0 14 8 1 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 14 16 2 0 0 0 0 M END > (S0820) S0820 > (S0820) N-[(2-fluorophenyl)sulfonyl]alanine > (S0820) none > (S0820) FL; AA; SA > (S0820) alanine, N-[(2-fluorophenyl)sulfonyl]- > (S0820) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 3.9625 -0.5750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2417 -0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 0.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9625 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 1.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6792 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -2.0042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 5 2 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 10 1 0 0 0 0 17 13 2 0 0 0 0 18 17 1 0 0 0 0 14 18 2 0 0 0 0 M END > (S0821) S0821 > (S0821) N-[(2-fluorophenyl)sulfonyl]valine > (S0821) none > (S0821) FL; AA; SA > (S0821) valine, N-[(2-fluorophenyl)sulfonyl]- > (S0821) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.5750 -0.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.5583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7417 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 1.2708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2792 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 2 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 18 1 0 0 0 0 15 19 2 0 0 0 0 M END > (S0823) S0823 > (S0823) N-[(2-fluorophenyl)sulfonyl]leucine > (S0823) none > (S0823) FL; AA; SA > (S0823) leucine, N-[(2-fluorophenyl)sulfonyl]- > (S0823) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.5750 0.2000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 0.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.9208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7417 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.6125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 1.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 5 2 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 2 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 16 8 1 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 18 1 0 0 0 0 16 19 2 0 0 0 0 M END > (S0824) S0824 > (S0824) N-[(2-fluorophenyl)sulfonyl](methyl)homocysteine > (S0824) none > (S0824) FL; AA; SA > (S0824) homocysteine, N-[(2-fluorophenyl)sulfonyl]-S-methyl- > (S0824) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.9375 -1.8250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1625 -2.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7167 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -1.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5667 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 8 1 0 0 0 0 14 3 1 0 0 0 0 15 10 1 0 0 0 0 16 8 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 15 12 1 0 0 0 0 16 18 2 0 0 0 0 M END > (S0825) S0825 > (S0825) 1-[(2-fluorophenyl)sulfonyl]proline > (S0825) none > (S0825) FL; AA; SA > (S0825) proline, 1-[(2-fluorophenyl)sulfonyl]- > (S0825) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3417 0.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0667 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4917 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 2.4708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 2 1 0 0 0 0 15 8 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 14 2 0 0 0 0 19 18 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 15 19 2 0 0 0 0 22 21 2 0 0 0 0 M END > (S0826) S0826 > (S0826) N-[(2-fluorophenyl)sulfonyl]phenylalanine > (S0826) none > (S0826) FL; AA; SA > (S0826) phenylalanine, N-[(2-fluorophenyl)sulfonyl]- > (S0826) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 2.7292 -0.0167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9417 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -1.6292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 10 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 2 1 0 0 0 0 14 7 1 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 14 16 2 0 0 0 0 M END > (S0827) S0827 > (S0827) N-[(2-fluorophenyl)sulfonyl]-beta-alanine > (S0827) none > (S0827) FL; AA; SA > (S0827) beta-alanine, N-[(2-fluorophenyl)sulfonyl]- > (S0827) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 3.0292 -1.9417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4542 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -0.5125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -1.9417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 7 2 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 16 2 0 0 0 0 15 8 2 0 0 0 0 16 9 1 0 0 0 0 14 15 1 0 0 0 0 M END > (S0830) S0830 > (S0830) 2-{[(2,6-dichlorophenyl)sulfonyl]amino}acetic acid > (S0830) 19818-06-5 > (S0830) HA; AA; SA > (S0830) glycine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0830) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 3.5250 -0.4667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5250 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 0.7708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9542 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -1.2875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -1.2875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 4 1 0 0 0 0 15 17 2 0 0 0 0 16 8 2 0 0 0 0 17 9 1 0 0 0 0 15 16 1 0 0 0 0 M END > (S0831) S0831 > (S0831) N-[(2,6-dichlorophenyl)sulfonyl]alanine > (S0831) none > (S0831) HA; AA; SA > (S0831) alanine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0831) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 -0.7833 0.8833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 2.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9125 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.5542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 0.8833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 17 2 0 0 0 0 16 8 2 0 0 0 0 17 9 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 16 15 1 0 0 0 0 M END > (S0832) S0832 > (S0832) N-[(2,6-dichlorophenyl)sulfonyl]valine > (S0832) none > (S0832) HA; AA; SA > (S0832) valine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0832) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.5042 -0.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5042 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.0833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -0.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 2.3333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7875 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 18 2 0 0 0 0 16 10 1 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 16 1 0 0 0 0 20 16 1 0 0 0 0 15 17 1 0 0 0 0 M END > (S0834) S0834 > (S0834) N-[(2,6-dichlorophenyl)sulfonyl]leucine > (S0834) none > (S0834) HA; AA; SA > (S0834) leucine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0834) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.5042 0.2000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 1.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -0.6125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.6125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 3.5208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 15 1 0 0 0 0 16 17 1 0 0 0 0 M END > (S0835) S0835 > (S0835) N-[(2,6-dichlorophenyl)sulfonyl](methyl)homocysteine > (S0835) none > (S0835) HA; AA; SA > (S0835) homocysteine, N-[(2,6-dichlorophenyl)sulfonyl]-S-methyl- > (S0835) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.1750 0.5875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.9500 0.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6042 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 0.8333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5458 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 2.2250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 4 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 19 2 0 0 0 0 18 8 2 0 0 0 0 19 9 1 0 0 0 0 18 17 1 0 0 0 0 13 16 1 0 0 0 0 M END > (S0836) S0836 > (S0836) 1-[(2,6-dichlorophenyl)sulfonyl]proline > (S0836) none > (S0836) HA; AA; SA > (S0836) proline, 1-[(2,6-dichlorophenyl)sulfonyl]- > (S0836) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.2792 0.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8792 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4375 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.8333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 2.2250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 18 2 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 21 2 0 0 0 0 16 17 1 0 0 0 0 22 23 1 0 0 0 0 M END > (S0837) S0837 > (S0837) N-[(2,6-dichlorophenyl)sulfonyl]phenylalanine > (S0837) none > (S0837) HA; AA; SA > (S0837) phenylalanine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0837) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 2.9125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.9125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.9417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.9417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 11 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 5 1 0 0 0 0 15 17 2 0 0 0 0 16 7 2 0 0 0 0 17 8 1 0 0 0 0 15 16 1 0 0 0 0 M END > (S0838) S0838 > (S0838) N-[(2,6-dichlorophenyl)sulfonyl]-beta-alanine > (S0838) none > (S0838) HA; AA; SA > (S0838) beta-alanine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0838) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 0.6625 1.1375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.2375 1.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 1.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0875 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2750 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 16 11 2 0 0 0 0 M END > (S0839) S0839 > (S0839) N-[(3-chlorophenyl)sulfonyl]valine > (S0839) none > (S0839) HA; AA; SA > (S0839) valine, N-[(3-chlorophenyl)sulfonyl]- > (S0839) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.5125 -0.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.5583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5125 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.2708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8000 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 11 17 2 0 0 0 0 M END > (S0841) S0841 > (S0841) N-[(3-chlorophenyl)sulfonyl]leucine > (S0841) none > (S0841) HA; AA; SA > (S0841) leucine, N-[(3-chlorophenyl)sulfonyl]- > (S0841) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.5125 0.2083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 0.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.9208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5125 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 17 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 10 1 0 0 0 0 18 16 1 0 0 0 0 19 14 1 0 0 0 0 11 18 2 0 0 0 0 M END > (S0842) S0842 > (S0842) N-[(3-chlorophenyl)sulfonyl](methyl)homocysteine > (S0842) none > (S0842) HA; AA; SA > (S0842) homocysteine, N-[(3-chlorophenyl)sulfonyl]-S-methyl- > (S0842) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.9167 -1.8500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1125 -2.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5292 -1.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7167 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 0.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 10 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 16 13 1 0 0 0 0 11 18 2 0 0 0 0 M END > (S0843) S0843 > (S0843) 1-[(3-chlorophenyl)sulfonyl]proline > (S0843) none > (S0843) HA; AA; SA > (S0843) proline, 1-[(3-chlorophenyl)sulfonyl]- > (S0843) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3125 0.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7167 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0375 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 3.2750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 11 17 2 0 0 0 0 22 21 2 0 0 0 0 M END > (S0844) S0844 > (S0844) N-[(3-chlorophenyl)sulfonyl]phenylalanine > (S0844) none > (S0844) HA; AA; SA > (S0844) phenylalanine, N-[(3-chlorophenyl)sulfonyl]- > (S0844) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 2.8167 0.0750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 2 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 10 16 2 0 0 0 0 M END > (S0845) S0845 > (S0845) N-[(3-chlorophenyl)sulfonyl]-beta-alanine > (S0845) none > (S0845) HA; AA; SA > (S0845) beta-alanine, N-[(3-chlorophenyl)sulfonyl]- > (S0845) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 2.9167 -2.1792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3417 -2.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 13 1 0 0 0 0 15 11 1 0 0 0 0 11 14 2 0 0 0 0 M END > (S0848) S0848 > (S0848) 2-{[(3-methylphenyl)sulfonyl]amino}acetic acid > (S0848) none > (S0848) AA; SA > (S0848) glycine, N-[(3-methylphenyl)sulfonyl]- > (S0848) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 3.2917 -0.3500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2917 0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.8875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2917 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 11 1 0 0 0 0 11 15 2 0 0 0 0 M END > (S0849) S0849 > (S0849) N-[(3-methylphenyl)sulfonyl]alanine > (S0849) none > (S0849) AA; SA > (S0849) alanine, N-[(3-methylphenyl)sulfonyl]- > (S0849) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 3.8750 -0.0042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0667 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4292 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.2083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2167 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 4 2 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 10 1 0 0 0 0 17 10 1 0 0 0 0 18 12 1 0 0 0 0 12 15 2 0 0 0 0 M END > (S0850) S0850 > (S0850) N-[(3-methylphenyl)sulfonyl]valine > (S0850) none > (S0850) AA; SA > (S0850) valine, N-[(3-methylphenyl)sulfonyl]- > (S0850) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.2875 -0.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 1.0833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 2.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5667 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 4 1 0 0 0 0 14 8 1 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 19 14 1 0 0 0 0 12 16 2 0 0 0 0 M END > (S0852) S0852 > (S0852) N-[(3-methylphenyl)sulfonyl]leucine > (S0852) none > (S0852) AA; SA > (S0852) leucine, N-[(3-methylphenyl)sulfonyl]- > (S0852) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.2875 0.2000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 1.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 1.4375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 3.5083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 3.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 16 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 18 13 1 0 0 0 0 19 12 1 0 0 0 0 12 17 2 0 0 0 0 M END > (S0853) S0853 > (S0853) methyl-N-[(3-methylphenyl)sulfonyl]homocysteine > (S0853) none > (S0853) AA; SA > (S0853) homocysteine, S-methyl-N-[(3-methylphenyl)sulfonyl]- > (S0853) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.9375 -1.9292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1625 -2.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5250 -1.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -2.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 8 1 0 0 0 0 14 4 1 0 0 0 0 15 10 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 15 12 1 0 0 0 0 13 17 2 0 0 0 0 M END > (S0854) S0854 > (S0854) 1-[(3-methylphenyl)sulfonyl]proline > (S0854) none > (S0854) AA; SA > (S0854) proline, 1-[(3-methylphenyl)sulfonyl]- > (S0854) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.0667 0.8000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4750 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7917 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 13 16 2 0 0 0 0 22 21 2 0 0 0 0 M END > (S0855) S0855 > (S0855) N-[(3-methylphenyl)sulfonyl]phenylalanine > (S0855) none > (S0855) AA; SA > (S0855) phenylalanine, N-[(3-methylphenyl)sulfonyl]- > (S0855) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 2.2917 -0.9750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 2 2 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 2 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 12 15 2 0 0 0 0 M END > (S0856) S0856 > (S0856) N-[(3-methylphenyl)sulfonyl]-beta-alanine > (S0856) none > (S0856) AA; SA > (S0856) beta-alanine, N-[(3-methylphenyl)sulfonyl]- > (S0856) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 2.5000 -2.5167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4625 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 0.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0917 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -3.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 1.0333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 0.4333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.0208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.2167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 17 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 11 2 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 12 2 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 8 2 2 0 0 0 0 M END > (S0859) S0859 > (S0859) 2-({[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}amino)acetic acid > (S0859) 612043-42-2 > (S0859) FL; HA; AA; SA > (S0859) glycine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0859) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.1792 0.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8917 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -2.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 1.2625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6042 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -2.8917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -3.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -1.7417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -3.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 17 1 0 0 0 0 12 8 2 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 7 1 0 0 0 0 11 2 2 0 0 0 0 M END > (S0860) S0860 > (S0860) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}alanine > (S0860) 1008594-59-9 > (S0860) FL; HA; AA; SA > (S0860) alanine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0860) true $$$$ -ISIS- 11270914432D 22 22 0 0 0 0 0 0 0 0999 V2000 4.4792 0.0375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.0750 0.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8542 0.3833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8917 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -3.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -2.9125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -2.4917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 0.9500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0375 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -2.2625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 17 1 0 0 0 0 12 8 2 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 4 1 0 0 0 0 17 13 2 0 0 0 0 18 5 1 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 18 1 0 0 0 0 22 18 1 0 0 0 0 11 3 2 0 0 0 0 M END > (S0861) S0861 > (S0861) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}valine > (S0861) FL; HA; AA; SA > (S0861) valine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0861) true $$$$ -ISIS- 11270914432D 23 23 0 0 0 0 0 0 0 0999 V2000 3.1625 0.0208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8750 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -2.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3375 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.7333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1625 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -2.8917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.1917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -3.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 18 1 0 0 0 0 12 5 1 0 0 0 0 13 8 2 0 0 0 0 14 6 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 14 2 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 21 1 0 0 0 0 23 21 1 0 0 0 0 11 2 2 0 0 0 0 M END > (S0863) S0863 > (S0863) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}leucine > (S0863) FL; HA; AA; SA > (S0863) leucine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0863) true $$$$ -ISIS- 11270914432D 23 23 0 0 0 0 0 0 0 0999 V2000 3.1625 0.1875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8750 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -2.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3375 0.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8750 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -2.7250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.0167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -3.1125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.6208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 17 1 0 0 0 0 12 8 2 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 6 1 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 23 21 1 0 0 0 0 11 2 2 0 0 0 0 M END > (S0864) S0864 > (S0864) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}(methyl)homocysteine > (S0864) 1009232-49-8 > (S0864) FL; HA; AA; SA > (S0864) homocysteine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]-S-methyl- > (S0864) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 1.5917 -2.2125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8000 -2.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3875 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 -0.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.3667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 0.0583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 0.6458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -1.3292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 14 1 0 0 0 0 12 6 1 0 0 0 0 13 8 2 0 0 0 0 14 12 2 0 0 0 0 15 5 1 0 0 0 0 16 5 1 0 0 0 0 17 5 1 0 0 0 0 18 2 1 0 0 0 0 19 8 1 0 0 0 0 20 4 1 0 0 0 0 21 11 1 0 0 0 0 22 18 1 0 0 0 0 20 22 1 0 0 0 0 11 3 2 0 0 0 0 M END > (S0865) S0865 > (S0865) 1-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}proline > (S0865) 1009684-43-8 > (S0865) FL; HA; AA; SA > (S0865) proline, 1-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0865) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 1.9667 0.8125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4167 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 3.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6917 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 4.1042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 3.2833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 3.2833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 2.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 18 1 0 0 0 0 12 5 1 0 0 0 0 13 8 2 0 0 0 0 14 6 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 14 2 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 11 2 2 0 0 0 0 25 26 2 0 0 0 0 M END > (S0866) S0866 > (S0866) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}phenylalanine > (S0866) 1008052-19-4 > (S0866) FL; HA; AA; SA > (S0866) phenylalanine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0866) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 2.7167 0.1083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0250 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9500 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -2.9167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.9417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -2.2417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -1.0292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 17 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 11 1 0 0 0 0 10 1 1 0 0 0 0 11 18 1 0 0 0 0 12 4 1 0 0 0 0 13 9 2 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 12 2 0 0 0 0 18 10 1 0 0 0 0 19 6 1 0 0 0 0 20 9 1 0 0 0 0 6 2 2 0 0 0 0 M END > (S0867) S0867 > (S0867) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-beta-alanine > (S0867) 612043-43-3 > (S0867) FL; HA; AA; SA > (S0867) beta-alanine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0867) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 2.8875 -2.2000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4625 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 0.1083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 13 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 11 2 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 16 9 1 0 0 0 0 6 10 2 0 0 0 0 M END > (S0870) S0870 > (S0870) 2-{[(3-chloro-4-fluorophenyl)sulfonyl]amino}acetic acid > (S0870) 613657-33-3 > (S0870) FL; HA; AA; SA > (S0870) glycine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0870) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 3.5250 0.0208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7000 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 0.7333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2417 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -2.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -3.2875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 13 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 17 4 1 0 0 0 0 7 10 2 0 0 0 0 M END > (S0871) S0871 > (S0871) N-[(3-chloro-4-fluorophenyl)sulfonyl]alanine > (S0871) 1009505-66-1 > (S0871) FL; HA; AA; SA > (S0871) alanine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0871) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 4.3042 -0.2750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.7250 0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 1.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7375 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 1.6708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5917 -3.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -2.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 13 1 0 0 0 0 11 5 2 0 0 0 0 12 4 1 0 0 0 0 13 12 2 0 0 0 0 14 3 1 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 19 14 1 0 0 0 0 7 10 2 0 0 0 0 M END > (S0872) S0872 > (S0872) N-[(3-chloro-4-fluorophenyl)sulfonyl]valine > (S0872) 1008660-85-2 > (S0872) FL; HA; AA; SA > (S0872) valine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0872) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.5125 0.0208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.7333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5125 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -3.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1417 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 3 1 0 0 0 0 11 14 1 0 0 0 0 12 5 2 0 0 0 0 13 4 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 11 1 0 0 0 0 18 10 1 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 7 11 2 0 0 0 0 M END > (S0874) S0874 > (S0874) N-[(3-chloro-4-fluorophenyl)sulfonyl]leucine > (S0874) FL; HA; AA; SA > (S0874) leucine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0874) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.5125 0.2083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 0.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.9208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -3.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 13 1 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 4 1 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 7 10 2 0 0 0 0 M END > (S0875) S0875 > (S0875) N-[(3-chloro-4-fluorophenyl)sulfonyl](methyl)homocysteine > (S0875) 1009235-46-4 > (S0875) FL; HA; AA; SA > (S0875) homocysteine, N-[(3-chloro-4-fluorophenyl)sulfonyl]-S-methyl- > (S0875) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 1.6542 -1.8500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8542 -2.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2750 -1.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4625 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 0.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -0.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 6 1 0 0 0 0 10 13 1 0 0 0 0 11 4 1 0 0 0 0 12 5 2 0 0 0 0 13 11 2 0 0 0 0 14 2 1 0 0 0 0 15 9 1 0 0 0 0 16 5 1 0 0 0 0 17 3 1 0 0 0 0 18 10 1 0 0 0 0 19 14 1 0 0 0 0 17 19 1 0 0 0 0 9 10 2 0 0 0 0 M END > (S0876) S0876 > (S0876) 1-[(3-chloro-4-fluorophenyl)sulfonyl]proline > (S0876) FL; HA; AA; SA > (S0876) proline, 1-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0876) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.3125 0.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7167 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0375 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 3.2750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 2.4083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 3 1 0 0 0 0 11 14 1 0 0 0 0 12 5 2 0 0 0 0 13 4 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 11 1 0 0 0 0 18 10 1 0 0 0 0 19 18 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 21 2 0 0 0 0 7 11 2 0 0 0 0 23 22 1 0 0 0 0 M END > (S0877) S0877 > (S0877) N-[(3-chloro-4-fluorophenyl)sulfonyl]phenylalanine > (S0877) 1008956-65-7 > (S0877) FL; HA; AA; SA > (S0877) phenylalanine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0877) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 3.0250 0.0875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 0.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -2.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -1.3792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 10 1 0 0 0 0 8 1 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 11 2 1 0 0 0 0 12 7 2 0 0 0 0 13 11 2 0 0 0 0 14 4 1 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 7 1 0 0 0 0 4 9 2 0 0 0 0 M END > (S0878) S0878 > (S0878) N-[(3-chloro-4-fluorophenyl)sulfonyl]-beta-alanine > (S0878) 613657-34-4 > (S0878) FL; HA; AA; SA > (S0878) beta-alanine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0878) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.9542 0.3583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1542 0.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 1.3708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7500 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1167 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -2.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 19 13 1 0 0 0 0 11 16 2 0 0 0 0 M END > (S0879) S0879 > (S0879) N-[(3-methoxyphenyl)sulfonyl]valine > (S0879) AA; SA > (S0879) valine, N-[(3-methoxyphenyl)sulfonyl]- > (S0879) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.2875 0.0708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 0.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 1.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 2.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5667 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 15 1 0 0 0 0 11 17 2 0 0 0 0 M END > (S0881) S0881 > (S0881) N-[(3-methoxyphenyl)sulfonyl]leucine > (S0881) AA; SA > (S0881) leucine, N-[(3-methoxyphenyl)sulfonyl]- > (S0881) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.2875 0.2000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 1.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 1.4375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 3.5083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 3.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 17 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 10 1 0 0 0 0 18 16 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 11 18 2 0 0 0 0 M END > (S0882) S0882 > (S0882) N-[(3-methoxyphenyl)sulfonyl](methyl)homocysteine > (S0882) AA; SA > (S0882) homocysteine, N-[(3-methoxyphenyl)sulfonyl]-S-methyl- > (S0882) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 1.6375 -2.0542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8625 -2.3417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2250 -1.8167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -2.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 19 15 1 0 0 0 0 13 16 1 0 0 0 0 11 18 2 0 0 0 0 M END > (S0883) S0883 > (S0883) 1-[(3-methoxyphenyl)sulfonyl]proline > (S0883) 1008243-65-9 > (S0883) AA; SA > (S0883) proline, 1-[(3-methoxyphenyl)sulfonyl]- > (S0883) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.0667 0.8250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4750 0.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7917 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 3.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 18 1 0 0 0 0 22 19 2 0 0 0 0 23 22 1 0 0 0 0 11 17 2 0 0 0 0 21 23 2 0 0 0 0 M END > (S0884) S0884 > (S0884) N-[(3-methoxyphenyl)sulfonyl]phenylalanine > (S0884) 1008003-24-4 > (S0884) AA; SA > (S0884) phenylalanine, N-[(3-methoxyphenyl)sulfonyl]- > (S0884) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 2.2917 -0.5542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 0.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 2 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 10 16 2 0 0 0 0 M END > (S0885) S0885 > (S0885) N-[(3-methoxyphenyl)sulfonyl]-beta-alanine > (S0885) 350687-91-1 > (S0885) AA; SA > (S0885) beta-alanine, N-[(3-methoxyphenyl)sulfonyl]- > (S0885) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 4.9250 -1.1292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.7500 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 11 1 0 0 0 0 17 16 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 12 15 1 0 0 0 0 19 21 2 0 0 0 0 M END > (S0888) S0888 > (S0888) 2-{[(4-phenoxyphenyl)sulfonyl]amino}acetic acid > (S0888) 885269-07-8 > (S0888) BP; AA; SA > (S0888) glycine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0888) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.5042 -2.5250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.7917 -2.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -2.5292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -3.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 13 4 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 11 1 0 0 0 0 17 3 1 0 0 0 0 18 16 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 22 21 1 0 0 0 0 12 15 1 0 0 0 0 20 22 2 0 0 0 0 M END > (S0889) S0889 > (S0889) N-[(4-phenoxyphenyl)sulfonyl]alanine > (S0889) BP; AA; SA > (S0889) alanine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0889) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 1.8792 -1.3417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 -1.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1167 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 10 2 0 0 0 0 17 12 1 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 23 1 0 0 0 0 13 16 1 0 0 0 0 22 24 2 0 0 0 0 M END > (S0890) S0890 > (S0890) N-[(4-phenoxyphenyl)sulfonyl]valine > (S0890) BP; AA; SA > (S0890) valine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0890) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 2.4875 -1.8042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0500 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -1.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0792 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 10 2 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 20 2 0 0 0 0 25 24 1 0 0 0 0 13 16 1 0 0 0 0 23 25 2 0 0 0 0 M END > (S0892) S0892 > (S0892) N-[(4-phenoxyphenyl)sulfonyl]leucine > (S0892) BP; AA; SA > (S0892) leucine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0892) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 2.4875 -1.4417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -1.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0500 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -1.8625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 4 1 0 0 0 0 15 10 1 0 0 0 0 16 9 2 0 0 0 0 17 11 1 0 0 0 0 18 19 1 0 0 0 0 19 12 1 0 0 0 0 20 18 1 0 0 0 0 21 17 2 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 0 0 0 0 25 24 1 0 0 0 0 13 16 1 0 0 0 0 23 25 2 0 0 0 0 M END > (S0893) S0893 > (S0893) methyl-N-[(4-phenoxyphenyl)sulfonyl]homocysteine > (S0893) BP; AA; SA > (S0893) homocysteine, S-methyl-N-[(4-phenoxyphenyl)sulfonyl]- > (S0893) true $$$$ -ISIS- 11270914432D 24 26 0 0 0 0 0 0 0 0999 V2000 3.8917 -2.1250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4667 -2.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2625 -2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5625 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 13 1 0 0 0 0 12 2 1 0 0 0 0 13 17 2 0 0 0 0 14 4 1 0 0 0 0 15 3 1 0 0 0 0 16 9 2 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 18 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 23 1 0 0 0 0 13 16 1 0 0 0 0 19 15 1 0 0 0 0 22 24 2 0 0 0 0 M END > (S0894) S0894 > (S0894) 1-[(4-phenoxyphenyl)sulfonyl]proline > (S0894) BP; AA; SA > (S0894) proline, 1-[(4-phenoxyphenyl)sulfonyl]- > (S0894) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 1.2167 -0.8167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.6167 -1.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3667 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -2.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 13 1 0 0 0 0 13 16 2 0 0 0 0 14 4 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 18 2 0 0 0 0 22 18 1 0 0 0 0 23 20 1 0 0 0 0 24 19 2 0 0 0 0 25 21 1 0 0 0 0 26 22 2 0 0 0 0 27 23 2 0 0 0 0 28 26 1 0 0 0 0 13 17 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 M END > (S0895) S0895 > (S0895) N-[(4-phenoxyphenyl)sulfonyl]phenylalanine > (S0895) BP; AA; SA > (S0895) phenylalanine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0895) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 1.3875 -2.9375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1042 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -6.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -5.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 13 1 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 9 2 0 0 0 0 17 11 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 22 21 1 0 0 0 0 12 16 1 0 0 0 0 20 22 2 0 0 0 0 M END > (S0896) S0896 > (S0896) N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine > (S0896) 294661-61-3 > (S0896) BP; AA; SA > (S0896) beta-alanine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0896) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 -0.9833 0.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.4083 0.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.4208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5583 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 1.0083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9208 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -2.7167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 11 16 2 0 0 0 0 M END > (S0897) S0897 > (S0897) N-[(3-fluorophenyl)sulfonyl]valine > (S0897) FL; AA; SA > (S0897) valine, N-[(3-fluorophenyl)sulfonyl]- > (S0897) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.5625 -0.1500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7375 -0.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.5708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5625 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.6292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 1.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8500 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 17 11 2 0 0 0 0 M END > (S0899) S0899 > (S0899) N-[(3-fluorophenyl)sulfonyl]leucine > (S0899) FL; AA; SA > (S0899) leucine, N-[(3-fluorophenyl)sulfonyl]- > (S0899) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.5625 0.2125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7375 0.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5625 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 2.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.2750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 1.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 17 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 10 1 0 0 0 0 18 16 1 0 0 0 0 19 14 1 0 0 0 0 18 11 2 0 0 0 0 M END > (S0900) S0900 > (S0900) N-[(3-fluorophenyl)sulfonyl](methyl)homocysteine > (S0900) FL; AA; SA > (S0900) homocysteine, N-[(3-fluorophenyl)sulfonyl]-S-methyl- > (S0900) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.9167 -1.8542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1125 -2.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5292 -1.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7167 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 0.1583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 10 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 13 16 1 0 0 0 0 18 11 2 0 0 0 0 M END > (S0901) S0901 > (S0901) 1-[(3-fluorophenyl)sulfonyl]proline > (S0901) FL; AA; SA > (S0901) proline, 1-[(3-fluorophenyl)sulfonyl]- > (S0901) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3750 0.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7792 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 3.2750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 17 11 2 0 0 0 0 21 22 2 0 0 0 0 M END > (S0902) S0902 > (S0902) N-[(3-fluorophenyl)sulfonyl]phenylalanine > (S0902) FL; AA; SA > (S0902) phenylalanine, N-[(3-fluorophenyl)sulfonyl]- > (S0902) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 2.5667 -1.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5667 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -3.5125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 2 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 16 10 2 0 0 0 0 M END > (S0903) S0903 > (S0903) N-[(3-fluorophenyl)sulfonyl]-beta-alanine > (S0903) 690646-10-7 > (S0903) FL; AA; SA > (S0903) beta-alanine, N-[(3-fluorophenyl)sulfonyl]- > (S0903) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 3.0667 -1.9417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4917 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -2.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -0.5125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -1.9417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 7 2 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 16 2 0 0 0 0 15 8 2 0 0 0 0 16 9 1 0 0 0 0 15 14 1 0 0 0 0 M END > (S0906) S0906 > (S0906) 2-{[(2,6-difluorophenyl)sulfonyl]amino}acetic acid > (S0906) 731003-82-0 > (S0906) FL; AA; SA > (S0906) glycine, N-[(2,6-difluorophenyl)sulfonyl]- > (S0906) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 3.5792 -0.4667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5792 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 0.7708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0125 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.2875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.2875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 4 1 0 0 0 0 15 17 2 0 0 0 0 16 8 2 0 0 0 0 17 9 1 0 0 0 0 16 15 1 0 0 0 0 M END > (S0907) S0907 > (S0907) N-[(2,6-difluorophenyl)sulfonyl]alanine > (S0907) FL; AA; SA > (S0907) alanine, N-[(2,6-difluorophenyl)sulfonyl]- > (S0907) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 -0.2458 1.1708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.1792 1.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 1.8833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4250 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 2.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.2667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 1.1708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 17 2 0 0 0 0 16 8 2 0 0 0 0 17 9 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 15 16 1 0 0 0 0 M END > (S0908) S0908 > (S0908) N-[(2,6-difluorophenyl)sulfonyl]valine > (S0908) FL; AA; SA > (S0908) valine, N-[(2,6-difluorophenyl)sulfonyl]- > (S0908) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.5667 -0.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.5583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7417 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 1.2708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8500 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 18 2 0 0 0 0 16 10 1 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 16 1 0 0 0 0 20 16 1 0 0 0 0 17 15 1 0 0 0 0 M END > (S0910) S0910 > (S0910) N-[(2,6-difluorophenyl)sulfonyl]leucine > (S0910) FL; AA; SA > (S0910) leucine, N-[(2,6-difluorophenyl)sulfonyl]- > (S0910) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.5667 0.2000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 1.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 1.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9917 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.6125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.6125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 3.5208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 15 1 0 0 0 0 17 16 1 0 0 0 0 M END > (S0911) S0911 > (S0911) N-[(2,6-difluorophenyl)sulfonyl](methyl)homocysteine > (S0911) FL; AA; SA > (S0911) homocysteine, N-[(2,6-difluorophenyl)sulfonyl]-S-methyl- > (S0911) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 1.9375 -1.6667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1625 -1.9542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7167 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -1.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5667 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -2.7167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 4 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 19 2 0 0 0 0 18 8 2 0 0 0 0 19 9 1 0 0 0 0 18 17 1 0 0 0 0 13 16 1 0 0 0 0 M END > (S0912) S0912 > (S0912) 1-[(2,6-difluorophenyl)sulfonyl]proline > (S0912) FL; AA; SA > (S0912) proline, 1-[(2,6-difluorophenyl)sulfonyl]- > (S0912) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.3417 0.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9375 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4917 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.8333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 2.2250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 18 2 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 21 2 0 0 0 0 17 16 1 0 0 0 0 23 22 1 0 0 0 0 M END > (S0913) S0913 > (S0913) N-[(2,6-difluorophenyl)sulfonyl]phenylalanine > (S0913) FL; AA; SA > (S0913) phenylalanine, N-[(2,6-difluorophenyl)sulfonyl]- > (S0913) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 2.8500 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8500 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.9417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -1.9417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 11 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 5 1 0 0 0 0 15 17 2 0 0 0 0 16 7 2 0 0 0 0 17 8 1 0 0 0 0 16 15 1 0 0 0 0 M END > (S0914) S0914 > (S0914) N-[(2,6-difluorophenyl)sulfonyl]-beta-alanine > (S0914) 885269-18-1 > (S0914) FL; AA; SA > (S0914) beta-alanine, N-[(2,6-difluorophenyl)sulfonyl]- > (S0914) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.0917 -3.3375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.3750 -2.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 5 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 14 8 1 0 0 0 0 20 19 2 0 0 0 0 M END > (S0917) S0917 > (S0917) 2-{[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]amino}acetic acid > (S0917) 885269-26-1 > (S0917) BP; AA; SA > (S0917) glycine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0917) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 5.0417 -1.4125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.0042 -0.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4292 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 3 1 0 0 0 0 22 20 1 0 0 0 0 14 8 1 0 0 0 0 20 19 2 0 0 0 0 M END > (S0918) S0918 > (S0918) N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]alanine > (S0918) BP; AA; SA > (S0918) alanine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0918) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 5.5917 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.6125 -0.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -0.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0542 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 0.5458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5125 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 14 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 18 4 1 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 24 21 1 0 0 0 0 15 8 1 0 0 0 0 21 20 2 0 0 0 0 M END > (S0919) S0919 > (S0919) N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]valine > (S0919) BP; AA; SA > (S0919) valine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0919) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 1.5417 -1.5125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 -1.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7500 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -0.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3250 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 8 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 22 1 0 0 0 0 15 9 1 0 0 0 0 21 20 2 0 0 0 0 M END > (S0921) S0921 > (S0921) N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]leucine > (S0921) BP; AA; SA > (S0921) leucine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0921) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.9833 2.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.0333 1.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4583 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -1.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5375 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 24 22 1 0 0 0 0 25 21 1 0 0 0 0 8 14 1 0 0 0 0 20 21 2 0 0 0 0 M END > (S0922) S0922 > (S0922) methyl-N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]homocysteine > (S0922) BP; AA; SA > (S0922) homocysteine, S-methyl-N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0922) true $$$$ -ISIS- 11270914432D 24 26 0 0 0 0 0 0 0 0999 V2000 0.2292 -1.8542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.5500 -2.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1833 -1.6167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1375 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 2 1 0 0 0 0 18 4 1 0 0 0 0 19 3 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 23 17 1 0 0 0 0 24 22 1 0 0 0 0 14 8 1 0 0 0 0 19 23 1 0 0 0 0 22 21 2 0 0 0 0 M END > (S0923) S0923 > (S0923) 1-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]proline > (S0923) BP; AA; SA > (S0923) proline, 1-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0923) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 2.7167 2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1250 1.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 0.6333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8750 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 8 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 24 19 2 0 0 0 0 25 19 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 26 1 0 0 0 0 15 9 1 0 0 0 0 27 28 2 0 0 0 0 22 21 2 0 0 0 0 M END > (S0924) S0924 > (S0924) N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]phenylalanine > (S0924) BP; AA; SA > (S0924) phenylalanine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0924) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 4.6500 0.4333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 13 2 0 0 0 0 8 7 1 0 0 0 0 9 17 1 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 6 1 0 0 0 0 18 5 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 22 21 1 0 0 0 0 14 7 1 0 0 0 0 21 20 2 0 0 0 0 M END > (S0925) S0925 > (S0925) N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]-beta-alanine > (S0925) 885269-30-7 > (S0925) BP; AA; SA > (S0925) beta-alanine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0925) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.3292 -3.3500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.6042 -2.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 1.6750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 5 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 14 8 1 0 0 0 0 17 20 2 0 0 0 0 M END > (S0928) S0928 > (S0928) 2-{[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]amino}acetic acid > (S0928) 885269-36-3 > (S0928) HA; BP; AA; SA > (S0928) glycine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0928) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.7333 0.7458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.7833 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -0.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3708 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 0.3208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 18 1 0 0 0 0 22 3 1 0 0 0 0 8 14 1 0 0 0 0 20 18 2 0 0 0 0 M END > (S0929) S0929 > (S0929) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]alanine > (S0929) HA; BP; AA; SA > (S0929) alanine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0929) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 5.4417 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.5167 -0.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -0.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9542 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 0.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3167 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -1.0917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 14 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 15 8 1 0 0 0 0 19 21 2 0 0 0 0 M END > (S0930) S0930 > (S0930) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]valine > (S0930) HA; BP; AA; SA > (S0930) valine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0930) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 2.2792 2.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0667 3.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 2.4833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4792 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 1.1375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 2.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9750 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 23 8 1 0 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 9 15 1 0 0 0 0 21 19 2 0 0 0 0 M END > (S0932) S0932 > (S0932) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]leucine > (S0932) HA; BP; AA; SA > (S0932) leucine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0932) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.8083 1.4375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.1208 0.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 0.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5625 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.7375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 -1.0875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1875 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 19 1 0 0 0 0 23 24 1 0 0 0 0 24 17 1 0 0 0 0 25 23 1 0 0 0 0 8 14 1 0 0 0 0 21 19 2 0 0 0 0 M END > (S0933) S0933 > (S0933) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl](methyl)homocysteine > (S0933) HA; BP; AA; SA > (S0933) homocysteine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]-S-methyl- > (S0933) true $$$$ -ISIS- 11270914432D 24 26 0 0 0 0 0 0 0 0999 V2000 0.4542 -1.8750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.3250 -2.1625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9583 -1.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9125 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 0.1083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 2 1 0 0 0 0 18 4 1 0 0 0 0 19 21 1 0 0 0 0 20 3 1 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 19 1 0 0 0 0 24 17 1 0 0 0 0 14 8 1 0 0 0 0 20 24 1 0 0 0 0 19 22 2 0 0 0 0 M END > (S0934) S0934 > (S0934) 1-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]proline > (S0934) HA; BP; AA; SA > (S0934) proline, 1-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0934) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 0.8917 1.3375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.1042 1.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2958 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 3.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 2.9583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 21 1 0 0 0 0 20 8 1 0 0 0 0 21 17 2 0 0 0 0 22 16 1 0 0 0 0 23 19 1 0 0 0 0 24 20 2 0 0 0 0 25 20 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 26 1 0 0 0 0 15 9 1 0 0 0 0 19 22 2 0 0 0 0 27 28 2 0 0 0 0 M END > (S0935) S0935 > (S0935) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]phenylalanine > (S0935) HA; BP; AA; SA > (S0935) phenylalanine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0935) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 4.5667 0.4333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.7542 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.8000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 13 2 0 0 0 0 8 7 1 0 0 0 0 9 17 1 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 6 1 0 0 0 0 18 20 1 0 0 0 0 19 5 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 18 1 0 0 0 0 14 7 1 0 0 0 0 18 21 2 0 0 0 0 M END > (S0936) S0936 > (S0936) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]-beta-alanine > (S0936) 885269-40-9 > (S0936) HA; BP; AA; SA > (S0936) beta-alanine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0936) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 5.6417 -0.7042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.3667 -0.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 5 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 21 1 0 0 0 0 14 8 1 0 0 0 0 17 20 2 0 0 0 0 M END > (S0939) S0939 > (S0939) 2-{[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino}acetic acid > (S0939) 885269-46-5 > (S0939) BP; AA; SA > (S0939) glycine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0939) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 0.7292 -1.7667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3042 -2.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 3.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 3 1 0 0 0 0 22 18 1 0 0 0 0 23 22 1 0 0 0 0 8 14 1 0 0 0 0 20 18 2 0 0 0 0 M END > (S0940) S0940 > (S0940) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]alanine > (S0940) BP; AA; SA > (S0940) alanine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0940) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 1.2167 -1.7292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.5000 -2.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2208 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6542 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 14 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 22 1 0 0 0 0 15 8 1 0 0 0 0 19 21 2 0 0 0 0 M END > (S0941) S0941 > (S0941) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]valine > (S0941) BP; AA; SA > (S0941) valine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0941) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 2.1417 -2.2542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.7167 -2.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -2.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4667 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 2.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -3.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8875 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 23 8 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 23 1 0 0 0 0 15 9 1 0 0 0 0 19 21 2 0 0 0 0 M END > (S0943) S0943 > (S0943) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]leucine > (S0943) BP; AA; SA > (S0943) leucine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0943) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 0.9875 -1.2167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.1500 -1.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1750 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.2833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 24 1 0 0 0 0 23 19 1 0 0 0 0 24 17 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 14 8 1 0 0 0 0 19 21 2 0 0 0 0 M END > (S0944) S0944 > (S0944) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl](methyl)homocysteine > (S0944) BP; AA; SA > (S0944) homocysteine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]-S-methyl- > (S0944) true $$$$ -ISIS- 11270914432D 25 27 0 0 0 0 0 0 0 0999 V2000 4.7417 -1.8792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.5500 -2.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7625 -2.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2417 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -2.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 2 1 0 0 0 0 18 4 1 0 0 0 0 19 3 1 0 0 0 0 20 21 1 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 20 1 0 0 0 0 24 17 1 0 0 0 0 25 23 1 0 0 0 0 14 8 1 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 M END > (S0945) S0945 > (S0945) 1-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]proline > (S0945) BP; AA; SA > (S0945) proline, 1-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0945) true $$$$ -ISIS- 11270914432D 29 31 0 0 0 0 0 0 0 0999 V2000 0.2042 0.5333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0292 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1417 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 21 1 0 0 0 0 20 8 1 0 0 0 0 21 17 2 0 0 0 0 22 16 1 0 0 0 0 23 19 1 0 0 0 0 24 20 2 0 0 0 0 25 20 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 2 0 0 0 0 29 28 1 0 0 0 0 15 9 1 0 0 0 0 19 22 2 0 0 0 0 27 29 2 0 0 0 0 M END > (S0946) S0946 > (S0946) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]phenylalanine > (S0946) BP; AA; SA > (S0946) phenylalanine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0946) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 0.2792 -0.3042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1042 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 13 2 0 0 0 0 8 7 1 0 0 0 0 9 17 1 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 6 1 0 0 0 0 18 20 1 0 0 0 0 19 5 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 18 1 0 0 0 0 23 22 1 0 0 0 0 14 7 1 0 0 0 0 18 21 2 0 0 0 0 M END > (S0947) S0947 > (S0947) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]-beta-alanine > (S0947) 885269-51-2 > (S0947) BP; AA; SA > (S0947) beta-alanine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0947) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 2.3917 1.6750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5875 1.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2167 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3417 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 8 2 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 14 2 0 0 0 0 16 8 1 0 0 0 0 17 11 1 0 0 0 0 18 11 1 0 0 0 0 19 14 1 0 0 0 0 12 15 1 0 0 0 0 M END > (S0948) S0948 > (S0948) N-[(2,5-dimethylphenyl)sulfonyl]valine > (S0948) 1009346-46-6 > (S0948) AA; SA > (S0948) valine, N-[(2,5-dimethylphenyl)sulfonyl]- > (S0948) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 -0.0083 1.8708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.8333 1.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8292 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9542 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 8 2 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 9 1 0 0 0 0 17 8 1 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 16 1 0 0 0 0 15 12 1 0 0 0 0 M END > (S0950) S0950 > (S0950) N-[(2,5-dimethylphenyl)sulfonyl]leucine > (S0950) 1009793-82-1 > (S0950) AA; SA > (S0950) leucine, N-[(2,5-dimethylphenyl)sulfonyl]- > (S0950) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 -0.4208 1.0958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.2458 1.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 0.3833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4833 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -1.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 8 2 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 14 2 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 19 16 1 0 0 0 0 20 14 1 0 0 0 0 15 11 1 0 0 0 0 M END > (S0951) S0951 > (S0951) N-[(2,5-dimethylphenyl)sulfonyl](methyl)homocysteine > (S0951) 1008965-15-8 > (S0951) AA; SA > (S0951) homocysteine, N-[(2,5-dimethylphenyl)sulfonyl]-S-methyl- > (S0951) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0500 -3.6250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 -2.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3542 -2.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6167 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 8 2 0 0 0 0 12 2 1 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 3 1 0 0 0 0 16 14 2 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 19 14 1 0 0 0 0 15 17 1 0 0 0 0 11 16 1 0 0 0 0 M END > (S0952) S0952 > (S0952) 1-[(2,5-dimethylphenyl)sulfonyl]proline > (S0952) AA; SA > (S0952) proline, 1-[(2,5-dimethylphenyl)sulfonyl]- > (S0952) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 1.5625 1.4250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.7375 1.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 0.7208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4000 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 9 2 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 8 1 0 0 0 0 16 14 2 0 0 0 0 17 9 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 21 2 0 0 0 0 16 12 1 0 0 0 0 22 23 1 0 0 0 0 M END > (S0953) S0953 > (S0953) N-[(2,5-dimethylphenyl)sulfonyl]phenylalanine > (S0953) AA; SA > (S0953) phenylalanine, N-[(2,5-dimethylphenyl)sulfonyl]- > (S0953) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 3.6167 -1.5000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 12 1 0 0 0 0 10 5 2 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 5 1 0 0 0 0 15 13 2 0 0 0 0 16 7 1 0 0 0 0 17 13 1 0 0 0 0 11 15 1 0 0 0 0 M END > (S0954) S0954 > (S0954) N-[(2,5-dimethylphenyl)sulfonyl]-beta-alanine > (S0954) 568566-41-6 > (S0954) AA; SA > (S0954) beta-alanine, N-[(2,5-dimethylphenyl)sulfonyl]- > (S0954) true $$$$ -ISIS- 11270914432D 21 21 0 0 0 0 0 0 0 0999 V2000 2.3917 1.6833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5875 1.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5125 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2625 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 8 2 0 0 0 0 13 7 2 0 0 0 0 14 4 1 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 6 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 9 12 1 0 0 0 0 M END > (S0955) S0955 > (S0955) N-[(2,3,5,6-tetramethylphenyl)sulfonyl]valine > (S0955) 1009595-18-9 > (S0955) AA; SA > (S0955) valine, N-[(2,3,5,6-tetramethylphenyl)sulfonyl]- > (S0955) true $$$$ -ISIS- 11270914432D 22 22 0 0 0 0 0 0 0 0999 V2000 1.0167 1.5250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 1.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 0.8083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3417 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 2.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0458 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 8 2 0 0 0 0 13 4 1 0 0 0 0 14 7 2 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 6 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 13 1 0 0 0 0 21 20 1 0 0 0 0 22 20 1 0 0 0 0 12 9 1 0 0 0 0 M END > (S0957) S0957 > (S0957) N-[(2,3,5,6-tetramethylphenyl)sulfonyl]leucine > (S0957) AA; SA > (S0957) leucine, N-[(2,3,5,6-tetramethylphenyl)sulfonyl]- > (S0957) true $$$$ -ISIS- 11270914432D 22 22 0 0 0 0 0 0 0 0999 V2000 1.1417 1.1333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9792 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 1.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.4208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4667 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.7292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 8 2 0 0 0 0 13 7 2 0 0 0 0 14 4 1 0 0 0 0 15 7 1 0 0 0 0 16 21 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 8 1 0 0 0 0 20 9 1 0 0 0 0 21 14 1 0 0 0 0 22 16 1 0 0 0 0 12 9 1 0 0 0 0 M END > (S0958) S0958 > (S0958) methyl-N-[(2,3,5,6-tetramethylphenyl)sulfonyl]homocysteine > (S0958) AA; SA > (S0958) homocysteine, S-methyl-N-[(2,3,5,6-tetramethylphenyl)sulfonyl]- > (S0958) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.0500 -3.6250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 -2.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6167 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -2.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7917 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 8 2 0 0 0 0 13 7 2 0 0 0 0 14 2 1 0 0 0 0 15 7 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 14 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 16 19 1 0 0 0 0 9 12 1 0 0 0 0 M END > (S0959) S0959 > (S0959) 1-[(2,3,5,6-tetramethylphenyl)sulfonyl]proline > (S0959) 1009282-06-7 > (S0959) AA; SA > (S0959) proline, 1-[(2,3,5,6-tetramethylphenyl)sulfonyl]- > (S0959) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 0.6542 1.9583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.4917 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9667 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 1.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 8 2 0 0 0 0 13 4 1 0 0 0 0 14 7 2 0 0 0 0 15 7 1 0 0 0 0 16 13 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 8 1 0 0 0 0 20 9 1 0 0 0 0 21 16 1 0 0 0 0 22 16 2 0 0 0 0 23 22 1 0 0 0 0 24 21 2 0 0 0 0 25 23 2 0 0 0 0 12 9 1 0 0 0 0 25 24 1 0 0 0 0 M END > (S0960) S0960 > (S0960) N-[(2,3,5,6-tetramethylphenyl)sulfonyl]phenylalanine > (S0960) AA; SA > (S0960) phenylalanine, N-[(2,3,5,6-tetramethylphenyl)sulfonyl]- > (S0960) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.8917 -1.1792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0875 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 12 1 0 0 0 0 11 1 1 0 0 0 0 12 14 1 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 3 1 0 0 0 0 17 4 1 0 0 0 0 18 5 1 0 0 0 0 19 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (S0961) S0961 > (S0961) N-[(2,3,5,6-tetramethylphenyl)sulfonyl]-beta-alanine > (S0961) 453581-60-7 > (S0961) AA; SA > (S0961) beta-alanine, N-[(2,3,5,6-tetramethylphenyl)sulfonyl]- > (S0961) true $$$$ -ISIS- 11270914432D 21 21 0 0 0 0 0 0 0 0999 V2000 -0.4625 1.5833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.2708 1.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 1.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6750 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 2.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 1.0333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0250 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 0.3458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1208 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 20 15 1 0 0 0 0 21 15 1 0 0 0 0 14 9 2 0 0 0 0 M END > (S0962) S0962 > (S0962) N-{[4-(tert-butyl)phenyl]sulfonyl}valine > (S0962) AA; SA > (S0962) valine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]- > (S0962) true $$$$ -ISIS- 11270914432D 22 22 0 0 0 0 0 0 0 0999 V2000 0.2417 0.3583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.5833 0.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8250 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7500 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0667 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 5 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 20 8 1 0 0 0 0 21 17 1 0 0 0 0 22 17 1 0 0 0 0 15 9 2 0 0 0 0 M END > (S0964) S0964 > (S0964) N-{[4-(tert-butyl)phenyl]sulfonyl}leucine > (S0964) AA; SA > (S0964) leucine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]- > (S0964) true $$$$ -ISIS- 11270914432D 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0208 0.9375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.8458 0.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 0.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0833 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 1.2625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4917 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.9167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 17 21 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 20 8 1 0 0 0 0 21 15 1 0 0 0 0 22 17 1 0 0 0 0 14 9 2 0 0 0 0 M END > (S0965) S0965 > (S0965) N-{[4-(tert-butyl)phenyl]sulfonyl}(methyl)homocysteine > (S0965) AA; SA > (S0965) homocysteine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-S-methyl- > (S0965) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.0500 -3.6250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 -2.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3542 -2.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -6.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7667 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 2 1 0 0 0 0 16 4 1 0 0 0 0 17 3 1 0 0 0 0 18 15 1 0 0 0 0 19 8 1 0 0 0 0 20 8 1 0 0 0 0 21 8 1 0 0 0 0 9 14 2 0 0 0 0 17 18 1 0 0 0 0 M END > (S0966) S0966 > (S0966) 1-{[4-(tert-butyl)phenyl]sulfonyl}proline > (S0966) AA; SA > (S0966) proline, 1-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]- > (S0966) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 -0.0375 2.4875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.8625 2.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 1.7833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1125 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 3.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 1.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 2.7708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4750 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 10 1 0 0 0 0 10 14 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 5 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 4 1 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 20 9 1 0 0 0 0 21 17 1 0 0 0 0 22 17 2 0 0 0 0 23 22 1 0 0 0 0 24 21 2 0 0 0 0 25 23 2 0 0 0 0 15 10 2 0 0 0 0 25 24 1 0 0 0 0 M END > (S0967) S0967 > (S0967) N-{[4-(tert-butyl)phenyl]sulfonyl}phenylalanine > (S0967) AA; SA > (S0967) phenylalanine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]- > (S0967) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 4.4917 -1.5000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6875 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -1.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -2.3250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0917 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 10 5 2 0 0 0 0 11 2 2 0 0 0 0 12 2 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 6 1 0 0 0 0 16 5 1 0 0 0 0 17 7 1 0 0 0 0 18 7 1 0 0 0 0 19 7 1 0 0 0 0 8 14 2 0 0 0 0 M END > (S0968) S0968 > (S0968) N-{[4-(tert-butyl)phenyl]sulfonyl}-beta-alanine > (S0968) 453581-51-6 > (S0968) AA; SA > (S0968) beta-alanine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]- > (S0968) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.9542 -0.8375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8167 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -0.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 8 2 0 0 0 0 11 3 1 0 0 0 0 12 2 1 0 0 0 0 13 8 1 0 0 0 0 14 12 2 0 0 0 0 15 9 2 0 0 0 0 16 14 1 0 0 0 0 17 11 1 0 0 0 0 18 17 2 0 0 0 0 11 16 2 0 0 0 0 15 18 1 0 0 0 0 M END > (S0971) S0971 > (S0971) 2-[(8-quinolinylsulfonyl)amino]acetic acid > (S0971) 115241-94-6 > (S0971) HC; AA; SA; Q > (S0971) glycine, N-(8-quinolinylsulfonyl)- > (S0971) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 1.3500 0.8833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1792 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.1583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5250 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 1.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 2.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 2 1 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 15 12 2 0 0 0 0 16 9 2 0 0 0 0 17 15 1 0 0 0 0 18 11 1 0 0 0 0 19 18 2 0 0 0 0 17 11 2 0 0 0 0 19 16 1 0 0 0 0 M END > (S0972) S0972 > (S0972) N-(8-quinolinylsulfonyl)alanine > (S0972) HC; AA; SA; Q > (S0972) alanine, N-(8-quinolinylsulfonyl)- > (S0972) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.3917 1.6833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2167 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 1.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7417 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 2.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5750 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 2 1 0 0 0 0 15 14 2 0 0 0 0 16 9 2 0 0 0 0 17 15 1 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 18 2 0 0 0 0 12 17 2 0 0 0 0 16 21 1 0 0 0 0 M END > (S0973) S0973 > (S0973) N-(8-quinolinylsulfonyl)valine > (S0973) 87650-59-7 > (S0973) HC; AA; SA; Q > (S0973) valine, N-(8-quinolinylsulfonyl)- > (S0973) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 1.3042 1.4708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1417 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 2.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3417 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 2 1 0 0 0 0 14 6 1 0 0 0 0 15 13 2 0 0 0 0 16 10 1 0 0 0 0 17 9 2 0 0 0 0 18 15 1 0 0 0 0 19 12 1 0 0 0 0 20 16 1 0 0 0 0 21 16 1 0 0 0 0 22 19 2 0 0 0 0 18 12 2 0 0 0 0 22 17 1 0 0 0 0 M END > (S0975) S0975 > (S0975) N-(8-quinolinylsulfonyl)leucine > (S0975) HC; AA; SA; Q > (S0975) leucine, N-(8-quinolinylsulfonyl)- > (S0975) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 1.6417 0.8208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8292 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 2.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -2.0375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 6 1 0 0 0 0 15 18 1 0 0 0 0 16 13 2 0 0 0 0 17 9 2 0 0 0 0 18 12 1 0 0 0 0 19 16 1 0 0 0 0 20 11 1 0 0 0 0 21 15 1 0 0 0 0 22 20 2 0 0 0 0 19 11 2 0 0 0 0 22 17 1 0 0 0 0 M END > (S0976) S0976 > (S0976) methyl-N-(8-quinolinylsulfonyl)homocysteine > (S0976) HC; AA; SA; Q > (S0976) homocysteine, S-methyl-N-(8-quinolinylsulfonyl)- > (S0976) true $$$$ -ISIS- 11270914432D 21 23 0 0 0 0 0 0 0 0999 V2000 2.0500 -3.6250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 -2.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6167 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -2.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0292 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -5.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 6 1 0 0 0 0 15 4 1 0 0 0 0 16 12 1 0 0 0 0 17 13 2 0 0 0 0 18 9 2 0 0 0 0 19 17 1 0 0 0 0 20 11 1 0 0 0 0 21 20 2 0 0 0 0 15 16 1 0 0 0 0 11 19 2 0 0 0 0 18 21 1 0 0 0 0 M END > (S0977) S0977 > (S0977) 1-(8-quinolinylsulfonyl)proline > (S0977) HC; AA; SA; Q > (S0977) proline, 1-(8-quinolinylsulfonyl)- > (S0977) true $$$$ -ISIS- 11270914432D 25 27 0 0 0 0 0 0 0 0999 V2000 1.0542 1.5250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8917 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.8208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2417 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 2 1 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 16 13 2 0 0 0 0 17 9 2 0 0 0 0 18 16 1 0 0 0 0 19 12 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 19 2 0 0 0 0 23 20 1 0 0 0 0 24 21 2 0 0 0 0 25 24 1 0 0 0 0 18 12 2 0 0 0 0 22 17 1 0 0 0 0 25 23 2 0 0 0 0 M END > (S0978) S0978 > (S0978) N-(8-quinolinylsulfonyl)phenylalanine > (S0978) 87650-62-2 > (S0978) HC; AA; SA; Q > (S0978) phenylalanine, N-(8-quinolinylsulfonyl)- > (S0978) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 3.3000 -1.0167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5042 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 9 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 12 1 0 0 0 0 10 6 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 2 1 0 0 0 0 14 6 1 0 0 0 0 15 13 2 0 0 0 0 16 8 2 0 0 0 0 17 15 1 0 0 0 0 18 11 1 0 0 0 0 19 18 2 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 M END > (S0979) S0979 > (S0979) N-(8-quinolinylsulfonyl)-beta-alanine > (S0979) 299936-94-0 > (S0979) HC; AA; SA; Q > (S0979) beta-alanine, N-(8-quinolinylsulfonyl)- > (S0979) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 1.6417 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 10 6 1 0 0 0 0 M END > (S1755) S1755 > (S1755) 2-amino-5-methoxybenzoic acid > (S1755) 6705-03-9 > (S1755) AA > (S1755) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.2292 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -2.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -0.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 4 2 0 0 0 0 9 6 2 0 0 0 0 10 5 2 0 0 0 0 11 10 1 0 0 0 0 12 1 1 0 0 0 0 13 6 1 0 0 0 0 4 5 1 0 0 0 0 7 11 2 0 0 0 0 M END > (S1759) S1759 > (S1759) 2-amino-1,3-benzothiazole-6-carboxylic acid > (S1759) 93-85-6 > (S1759) HC; AA > (S1759) true $$$$