0 B10R0.92 C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000743915_100000741382 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.92 C[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100009817235 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000070787_100000750626 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000739357_200000210301 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.56 CC(=O)CCCS(=O)(=O)[O-] 1458a_100000070787_100009813499 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000070787_100000754112 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000165793_200000210301 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.56 CC(=O)CCOS(=O)(=O)C 1458a_100000070787_200000036756 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.56 CS(=O)(=O)NCCC(=O)N 40a_100000740010_100000738038 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.56 CS(=O)(=O)NCCC(=O)[13CH3] 1458a_100000165793_200025704644 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.56 NS(=O)(=O)CNCC(=O)O 269956a_100016091260_100000741382 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.56 O=C(O)CNCS(=O)(=O)[O-] 269956a_100016091260_100009817235 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.56 [13CH3]C(=O)CCCS(=O)(=O)N 1458a_100000739357_200025704644 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.57 CC(=O)[C@H](C)OS(=O)(=O)C 1458a_200015292407_200000210301 [0,0,0,0,1,0|3,0,0]=4 15 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)[13CH3] 1458a_200015292407_200025704644 [0,0,0,0,1,0|3,0,0]=4 16 B11R0.318 CC(=O)C(C)COCS(=O)(=O)[O-] 34a_100000032740_100009817235 [0,0,0,0,0,1|2,0,1]=4 17 B11R0.318 CC(CNCS(=O)(=O)N)C(=O)O 269956a_100000749485_100000741382 [0,0,0,0,0,1|3,0,0]=4 18 B11R0.318 CC(CNCS(=O)(=O)[O-])C(=O)O 269956a_100000749485_100009817235 [0,0,0,0,0,1|2,0,1]=4 19 B11R0.318 C[C@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000743915_100000731031 [0,0,0,0,0,1|3,0,0]=4 20 B11R0.318 C[C@H](NCCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100000762736 [0,0,0,0,0,1|2,0,1]=4 21 B11R0.318 NC(=O)[C@@H](N)COCS(=O)(=O)[O-] 34a_100000729942_100009817235 [0,0,0,0,0,1|1,0,1]=3 22 B11R0.318 NS(=O)(=O)CNCC(F)C(=O)O 269956a_100000084737_100000741382 [0,0,0,0,0,1|3,0,0]=4 23 B11R0.318 O=C(O)C(F)CNCS(=O)(=O)[O-] 269956a_100000084737_100009817235 [0,0,0,0,0,1|2,0,1]=4 24 B10R0.60 C#CC(=O)CCOS(=O)(=O)C 1458a_100000211873_200000036756 [1,1,0,0,0,0|2,0,0]=4 25 B10R0.60 C=CC(=O)CCOS(=O)(=O)C 1458a_100000185746_200000036756 [1,1,0,0,0,0|2,0,0]=4 26 B10R0.60 CCC(=O)CCOS(=O)(=O)C 1458a_100000210414_200000036756 [1,1,0,0,0,0|2,0,0]=4 27 B10R0.60 CS(=O)(=O)CCCC(=O)CO 1458a_100000210174_100000754308 [1,1,0,0,0,0|2,0,0]=4 28 B10R0.60 CS(=O)(=O)NCCC(=O)CO 1458a_100000210174_100000754112 [1,1,0,0,0,0|2,0,0]=4 29 B10R0.60 CS(=O)(=O)OCCC(=O)CO 1458a_100000210174_200000036756 [1,1,0,0,0,0|1,0,0]=3 30 B10R0.60 NS(=O)(=O)CCCC(=O)CO 1458a_100000210174_100000750626 [1,1,0,0,0,0|2,0,0]=4 31 B10R0.60 O=C(CO)CCCS(=O)(=O)[O-] 1458a_100000210174_100009813499 [1,1,0,0,0,0|1,0,1]=4 32 B12R0.90 COC(=O)C(C)COCS(=O)(=O)[O-] 34a_100000749362_100009817235 [0,1,0,0,0,1|1,0,1]=4 33 B12R0.90 COC(=O)C(F)COCS(=O)(=O)[O-] 34a_200009849844_100009817235 [0,1,0,0,0,1|1,0,1]=4 34 B12R0.90 COC(=O)[C@H](N)COCS(=O)(=O)[O-] 34a_100000003586_100009817235 [0,1,0,0,0,1|0,0,1]=3 35 B12R0.90 NNC(=O)C(N)COCS(=O)(=O)[O-] 34a_100016989258_100009817235 [0,1,0,0,0,1|1,0,1]=4 36 B12R0.947 C[C@@H](OCS(=O)(=O)[O-])[C@H](N)C(=O)N 34a_100000003557_100009817235 [0,1,0,0,0,1|1,0,1]=4 37 B10R0.15 CC(=O)CCOCS(=O)(=O)[O-] 34a_100000759926_100009817235 [1,0,0,0,0,1|1,0,1]=4 38 B10R0.15 CS(=O)(=O)CCNCC(=O)O 269956a_100016091260_100000731031 [1,0,0,0,0,1|2,0,0]=4 39 B10R0.15 NC(=O)CCOCS(=O)(=O)[O-] 34a_100000757172_100009817235 [1,0,0,0,0,1|1,0,1]=4 40 B10R0.15 O=C(O)CNCCS(=O)(=O)[O-] 269956a_100016091260_100000762736 [1,0,0,0,0,1|1,0,1]=4 41 B12R0.264 CS(=O)(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731031 [0,0,0,0,0,2|2,0,0]=4 42 B12R0.264 C[C@H](NCCOS(=O)(=O)C)C(=O)O 269956a_100000743915_200000036756 [0,0,0,0,0,2|2,0,0]=4 43 B12R0.264 NC(=O)[C@@H](N)COCCS(=O)(=O)[O-] 34a_100000729942_100000762736 [0,0,0,0,0,2|1,0,1]=4