0 B8R0.9 C#CC(C)OCC(=O)O F8886-3855 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 C#CC(N)CCC(=O)O F1913-0216 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.3 C=CCCC(C)C=O F2147-8873 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.3 C=CCCC(N)CC F2147-8742 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 C#CCOCC(=O)O F8885-6186 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.4 C=CCCCC(C)N F1913-5300 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.6 O=C(O)CCC(F)F F8880-4978 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.6 O=C(O)COC(F)F F8888-1299 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.7 CC(=O)CCC(C)C(=O)O F2147-8545 [0,1,0,0,0,0|3,0,0]=4 9 B9R0.7 CC(=O)CCC(F)C(=O)O F2147-8556 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.7 O=C(O)CCC(F)C(=O)O F2147-5786 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.24 C#CC(N)CCC(=O)OC F1913-0217 [0,1,0,0,0,0|0,0,2]=3 12 B9R0.64 CC(C)(C#N)CCC(=O)O F2147-5455 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.64 CC(C)(CN)CCC(=O)O F2147-8205 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.35 NC1CC=C(C(=O)O)C1 F1967-2233 [0,0,0,1,0,0|0,0,2]=3 15 B9R1.49 NC1CCOC(=O)CC1 F2147-2083 [0,0,0,1,0,0|0,0,2]=3 16 B9R1.49 O=C1CCC(O)CCO1 F2147-2084 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.69 CC1NC(=O)CCC1N F2147-7967 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.84 O=C(O)CCC1CNC1 F2158-1592 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.95 CC=C1CC(C(=O)O)C1 F2167-7754 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.95 CCC1CC(C(=O)O)C1 F2167-8038 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.95 CS[C@H]1C[C@@H](C(=O)O)C1 F2147-8650 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.95 CS[C@H]1C[C@H](C(=O)O)C1 F2147-8649 [0,0,0,1,0,0|2,0,1]=4 23 B7R0.2 C#CC(C)CC(=O)O F1913-0982 [0,0,0,0,1,0|1,0,2]=4 24 B6R0.4 C=C(C)CCCN F1913-0543 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 C=CCCC(C)N F2147-8740 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.4 C=CCCC(C)N F8883-6520 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.4 NCCC[N+](=O)[O-] F2147-8750 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.6 C=CCCCC=O F2147-8874 [2,0,0,0,0,0|0,0,0]=2 29 B8R0.8 C=CCCC(N)C(=O)O F8880-1233 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.5 COCC(C)CC(=O)O F8881-0004 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.28 O=C(O)CCCC(F)F F1905-8061 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.23 C=C(C)CC(F)C(=O)O F2147-5976 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.23 CC(CC(=O)O)C(F)F F1913-1884 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.23 CC(CC(F)F)C(=O)O F1913-0355 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.23 NC(CC(F)F)C(=O)O F8887-3929 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.23 O=C(O)C(F)CC(F)F F2147-6009 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.43 O=C(O)CCC(F)(F)C(=O)O F1913-7046 [0,2,0,0,0,0|2,0,0]=4 38 B8R1.1 C=CC1CNC(=O)O1 F2147-3317 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.2 C=CC1CCCCN1 F8888-8035 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.4 O=C1C=C(Br)CCC1 F8888-6710 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.7 O=C(O)C1CCSC1 F2147-1614 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.31 CC1CCC1C(=O)O F8880-6303 [1,0,0,1,0,0|0,0,2]=4 43 B8R1.34 O=C(O)CC1CSC1 F2147-4270 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.43 C#CC1CC1C(=O)O F1913-1035 [1,0,0,1,0,0|0,0,2]=4 45 B8R1.43 C=CC1CC1C(=O)O F1913-5193 [1,0,0,1,0,0|0,0,0]=2 46 B8R1.43 C=C[C@H]1C[C@@H]1C(=O)O F1913-7368 [1,0,0,1,0,0|0,0,0]=2 47 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O F1913-7369 [1,0,0,1,0,0|0,0,0]=2 48 B8R1.23 CC(N)C1CC(=O)C1 F2147-4836 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F1913-7309 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F1913-7308 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.42 NC1(CC(=O)O)CC1 F8881-5867 [0,0,0,1,1,0|0,0,2]=4 52 B10R1.81 NC(C(=O)O)C1CC(=O)C1 F2147-4771 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.25 CNC1CCC(=O)NC1=O F9994-0337 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.25 CNC1CCC(=O)NC1=O F9994-0473 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.64 NC1=CC=NN1CC(=O)O F2198-5855 [0,1,0,1,0,0|1,0,1]=4 56 B10R1.66 O=C(O)CCC1=CSC=N1 F2173-0029 [0,1,0,1,0,0|0,0,2]=4 57 B10R1.66 O=C(O)CCC1CCCN1 F8888-4049 [0,1,0,1,0,0|0,0,2]=4 58 B10R1.66 O=C(O)CCC1CCNC1 F8889-7481 [0,1,0,1,0,0|0,0,2]=4 59 B10R1.82 O=C(O)CCC1CC(=O)C1 F2147-8319 [0,1,0,1,0,0|1,0,1]=4