0 B8R0.23 C=C(C)CC(F)C(=O)O F2147-5976 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.23 CC(CC(F)F)C(=O)O F1913-0355 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 NC(CC(F)F)C(=O)O F8887-3929 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 O=C(O)C(F)CC(F)F F2147-6009 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 O=C(O)CC(F)C(=O)O F2147-5754 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.2 NC(=O)C\C(N)=N\O F2145-0242 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.5 N#CCC(F)C(=O)O F2147-5599 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.5 NC(CCF)C(=O)O F1913-7468 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.6 CC(=O)CC[N+](=O)[O-] F2147-8657 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.6 O=C(O)CCC(F)F F8880-4978 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.11 C=C(C)CC(C)(C)C(=O)O F8884-3397 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.11 CN(C)CC(C)(N)C(=O)O F8882-7257 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.23 COC(=O)C(N)CC(F)F F8888-3496 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.57 CC(CS(C)(=O)=O)C(=O)O F8881-1611 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.35 CC(=O)C1CNC(=O)C1 F2147-8668 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.35 O=C1CC(C(=O)O)CO1 F2147-1585 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.35 O=C1NCC(C(=O)O)O1 F8881-2239 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] F2147-1409 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.164 CC1(C)CC(C(=O)O)N1 F1905-7334 [0,0,0,1,0,0|2,0,1]=4 19 B9R0.7 CC(=O)CCC(C)C(=O)O F2147-8545 [0,0,0,0,0,1|2,0,0]=3 20 B9R0.7 CC(=O)CCC(F)C(=O)O F2147-8556 [0,0,0,0,0,1|2,0,0]=3 21 B9R0.7 CC(C)=CCC(F)C(=O)O F2147-5922 [0,0,0,0,0,1|3,0,0]=4 22 B9R0.7 NC(CCC(F)F)C(=O)O F2147-8561 [0,0,0,0,0,1|2,0,1]=4 23 B9R0.7 NC(CSC(F)F)C(=O)O F2197-0378 [0,0,0,0,0,1|2,0,1]=4 24 B9R0.7 O=C(O)CCC(F)C(=O)O F2147-5786 [0,0,0,0,0,1|2,0,0]=3 25 B6R0.3 CCC(F)C(=O)O F2147-5487 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.3 COC(=O)C(N)CCF F1913-7467 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.8 C#CCCC(N)C(=O)O F2147-2762 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.8 C=CCCC(F)C(=O)O F2147-5991 [1,1,0,0,0,0|2,0,0]=4 29 B8R0.8 C=CCCC(N)C(=O)O F8880-1233 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.8 CC#CCC(N)C(=O)O F8881-2802 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.8 COCCC(N)C(=O)O F8887-3926 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.9 C#CC(N)CCC(=O)O F1913-0216 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.37 CC(F)(C(=O)O)C(=O)O F2147-5484 [0,1,0,0,1,0|2,0,0]=4 34 B10R0.43 CC(=O)CCC(F)(F)C(=O)O F2147-8679 [0,1,0,0,0,1|2,0,0]=4 35 B10R0.43 O=C(O)CCC(F)(F)C(=O)O F1913-7046 [0,1,0,0,0,1|2,0,0]=4 36 B10R0.84 CCC(CCC(C)=O)C(=O)O F2147-8546 [0,1,0,0,0,1|2,0,0]=4 37 B10R0.117 CC(C)(C(=O)O)C(N)C(=O)O F2147-5440 [0,2,0,0,0,0|1,0,0]=3 38 B10R0.162 CC(C)C(CC(=O)O)C(=O)O F2148-1327 [0,2,0,0,0,0|2,0,0]=4 39 B8R1.1 O=CC1CNC(=O)O1 F2147-3308 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.23 CC(=O)C1CC(=O)C1 F2147-4832 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.3 O=C1CC[C@@H](O)CN1 F1911-5596 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.13 O=C1NCC(C(=O)O)CN1 F2147-2591 [0,0,0,1,0,1|1,0,0]=3 43 B10R1.81 NC(C(=O)O)C1CC(=O)C1 F2147-4771 [0,0,0,1,0,1|1,0,0]=3 44 B10R1.470 CC1(C(=O)O)CNC(=O)C1 F8889-6796 [0,0,0,1,0,1|2,0,0]=4 45 B10R1.54 O=C(O)CC1CCC(=O)C1 F2147-3720 [0,0,0,1,0,1|2,0,0]=4 46 B10R1.54 O=C(O)CC1CNC(=O)C1 F2147-1992 [0,0,0,1,0,1|1,0,0]=3 47 B10R1.14 C=C1CNC(C(=O)OC)C1 F2167-4379 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.14 COC(=O)[C@@H]1CNC(=O)N1 F2147-2422 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O F1913-6669 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.113 O=C1NCC[C@@H](C(=O)O)O1 F2147-2882 [0,1,0,1,0,0|2,0,0]=4