0 B10R0.97 CC(=O)NCSCCC(=O)O 12829 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.97 O=C(O)CCCCCC(=O)O 20083 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O 25091 [0,1,0,0,0,0|2,0,0]=3 3 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O 25092 [0,1,0,0,0,0|2,0,0]=3 4 B11R0.29 CC(=O)NCSC[C@H](N)C(N)=O 25095 [0,1,0,0,0,0|3,0,0]=4 5 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O 17499 [0,1,0,0,0,0|3,0,0]=4 6 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O 25048 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O 6388 [0,0,0,1,0,0|3,0,0]=4 8 B11R1.178 CC(=O)N1CSCC1C(=O)O 21963 [0,0,0,1,0,0|2,0,0]=3 9 B11R1.178 NC(=O)C1CCCC1C(N)=O 20867 [0,0,0,1,0,0|3,0,0]=4 10 B9R0.55 O=C(Cl)CCCCC(=O)Cl 13242 [0,0,0,0,1,0|2,0,0]=3 11 B9R0.55 O=C([O-])CCCCC(=O)[O-] 35724 [0,0,0,0,1,0|0,0,2]=3 12 B8R0.7 NCCCCCC(=O)O 35821 [2,0,0,0,0,0|1,0,1]=4 13 B8R0.7 O=C(O)CCCCCBr 3777 [2,0,0,0,0,0|1,0,1]=4 14 B10R0.4 C=CCCCCCCC(=O)O 27146 [1,1,0,0,0,0|2,0,0]=4 15 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O 30115 [0,1,0,0,1,0|1,0,0]=3 16 B10R0.96 NC(CCC(=O)O)CC(=O)O 13446 [0,1,0,0,1,0|0,0,0]=2 17 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O 30090 [0,1,0,0,1,0|0,0,0]=2 18 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O 19033 [0,1,0,0,1,0|0,0,0]=2 19 B10R1.64 O=C(O)CC1NCCC1O 24458 [1,0,0,1,0,0|1,0,1]=4 20 B10R1.64 O=C(O)CN1CCCC1=O 35694 [1,0,0,1,0,0|2,0,0]=4 21 B10R1.64 O=C(O)C[C@@H]1NCC[C@@H]1O 24457 [1,0,0,1,0,0|1,0,1]=4 22 B10R1.64 O=C(O)C[C@@H]1NCC[C@H]1O 24455 [1,0,0,1,0,0|1,0,1]=4 23 B10R1.64 O=C(O)C[C@H]1NCC[C@@H]1O 24453 [1,0,0,1,0,0|1,0,1]=4 24 B10R1.64 O=C(O)C[C@H]1NCC[C@H]1O 24456 [1,0,0,1,0,0|1,0,1]=4 25 B10R1.113 O=C1CCCC(C(=O)O)N1 23449 [0,0,0,1,1,0|1,0,0]=3 26 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 23450 [0,0,0,1,1,0|1,0,0]=3 27 B10R1.361 O=C(O)C1CCC1C(=O)O 35420 [0,0,0,1,1,0|0,0,0]=2 28 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O 26206 [0,0,0,1,1,0|0,0,0]=2 29 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O 19269 [0,0,0,1,0,1|1,0,0]=3 30 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O 19603 [0,0,0,1,0,1|1,0,0]=3 31 B12R1.258 O=C(O)C1CCCC(C(=O)O)N1 18900 [0,1,0,1,0,0|1,0,0]=3 32 B12R1.258 O=C(O)C1CCCN(C(=O)O)C1 17117 [0,1,0,1,0,0|2,0,0]=4 33 B12R1.850 O=C1CC(C(=O)O)C(C(=O)O)C1 29070 [0,1,0,1,0,0|1,0,0]=3 34 B12R1.850 O=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1 27350 [0,1,0,1,0,0|1,0,0]=3 35 B8R0.28 O=C(O)CCCC(=O)O 18989 [0,0,0,0,2,0|0,0,0]=2 36 B8R0.28 O=C(O)CNCC(=O)O 35020 [0,0,0,0,2,0|1,0,0]=3 37 B8R0.28 O=C(O)COCC(O)=S 10792 [0,0,0,0,2,0|0,2,0]=4 38 B8R0.28 O=C(O)\C=C\CC(=O)O 35121 [0,0,0,0,2,0|0,0,2]=4