0 B5R0.1 CC(O)CC#N F1913-2479 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 CC(O)CCN F8880-3625 [0,0,0,0,0,0|1,0,0]=1 2 B4R0.1 C#CC(C)N F8880-5914 [1,0,0,0,0,0|1,0,2]=4 3 B4R0.1 CC(Br)CCl F0001-2454 [1,0,0,0,0,0|2,0,0]=3 4 B4R0.1 CC(F)CO F2147-5480 [1,0,0,0,0,0|1,0,0]=2 5 B4R0.2 C#CCCI F8886-7611 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.2 NOCCO F8881-5119 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCC(C)CNC F8889-4114 [0,1,0,0,0,0|3,0,0]=4 8 B6R0.1 CCS(=O)CCN F2147-1018 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.1 COCC(N)CO F8888-1239 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.2 CC(=O)CC(C)N F1791-1136 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.2 CC(=O)CC(C)N F1997-0017 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.3 CC(CN)N(C)C F2186-0046 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.3 CN(C)C(=O)CO F8888-3631 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.4 C=C(C)CCCBr F1913-0542 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.4 C=C(C)CCCO F1913-0541 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.4 CC(C)CN=[N+]=[N-] F8886-6502 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.4 CC(C)NCCCl F2147-1524 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.4 CCCNC(C)C F8889-6089 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.4 CCNCC(C)C F8880-2710 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.4 CCOCC(C)N F2167-3742 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.5 CNCC(C)(C)C F8888-7503 [0,1,0,0,0,0|3,0,0]=4 22 B6R1.2 NC1CCSC1 F2147-1613 [0,0,0,1,0,0|1,1,0]=3 23 B6R1.3 CCNC1CC1 F8889-2389 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.3 NNCC1CC1 F8881-7483 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.3 NOCC1CC1 F8885-6337 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.5 CC1CC(C)N1 F8887-5508 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.9 NC1CC1(F)F F2147-3887 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.10 CC1(C)CNC1 F8889-6575 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.10 CC1(F)CNC1 F8888-7530 [0,0,0,1,0,0|3,0,0]=4 30 B5R0.3 CCC(Cl)C#N F8880-4664 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.3 COC(C)CN F3377-0028 [1,1,0,0,0,0|1,0,0]=3 32 B5R0.4 CC(F)(F)CN F8881-8998 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.2 C#CCCCN F2147-1023 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.2 C#CCCNC F1913-0949 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.2 C=CCCNC F1911-1847 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.2 CC(C)C\C(N)=N\O F2145-0870 [0,2,0,0,0,0|1,0,1]=4 37 B7R0.3 CCCCC(O)CN F2189-0851 [0,2,0,0,0,0|1,0,0]=3 38 B7R0.11 C=CCC(C)(C)CO F2147-6070 [0,2,0,0,0,0|1,0,1]=4 39 B7R0.11 CC(C)(CO)CCO F2147-6492 [0,2,0,0,0,0|0,0,0]=2 40 B7R0.14 CC(CO)C(F)(F)F F1913-6483 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.4 CC(C)CCN=[N+]=[N-] F1901-3129 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.4 CC(C)COCCN F2167-3704 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.4 CCCCNC(C)C F1911-1667 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.4 CCNCCC(C)C F1911-1772 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.8 CC(C)(C)OCCN F2147-1401 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.8 CNCCC(C)(C)C F8883-2000 [0,2,0,0,0,0|2,0,0]=4 47 B5R1.2 CC1CCN1 F8888-7636 [1,0,0,1,0,0|1,0,0]=3 48 B5R1.2 NC1CSC1 F1907-0861 [1,0,0,1,0,0|1,1,0]=4 49 B7R1.1 C=CC1CCNC1 F2167-8027 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.1 CCC1CCCN1 F8880-6440 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.1 CCC1CCCN1 F8888-3269 [0,1,0,1,0,0|2,0,0]=4 52 B7R1.1 CCC1CCNC1 F8881-7172 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.1 CCC1CCNC1 F8887-6136 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.1 CNC1CCOC1 F1906-0103 [0,1,0,1,0,0|1,0,0]=3 55 B7R1.1 CNC1CCSC1 F2158-1845 [0,1,0,1,0,0|1,1,0]=4 56 B7R1.1 N#CC1CCNC1 F1907-0845 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.1 NOC1CCCC1 F1913-1612 [0,1,0,1,0,0|1,0,0]=3 58 B7R1.1 OC[C@H]1CCCO1 F0001-2349 [0,1,0,1,0,0|1,0,0]=3 59 B7R1.2 CC1CCC(C)N1 F2124-0275 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.2 NN1CCC(F)C1 F1907-4438 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.4 CC1CCCC1N F8888-6869 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.4 OC1CNCC1F F2167-4338 [0,1,0,1,0,0|1,0,0]=3 63 B7R1.6 OCCN1CCC1 F1904-0065 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.10 CC1CC(CO)C1 F1913-0298 [0,1,0,1,0,0|1,0,0]=3 65 B7R1.10 COC1CN(N)C1 F1907-5025 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.10 CO[C@H]1C[C@H](N)C1 F1913-1435 [0,1,0,1,0,0|1,0,0]=3 67 B7R1.10 NCC1CC(O)C1 F2147-4238 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.10 NN1CC(CO)C1 F1907-4887 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.25 CC1(CN)CCC1 F8888-3506 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.25 NCC1(O)COC1 F2147-8619 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.20 CC(C)NC1CC1 F8889-1828 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.32 CC1(N)CC1(F)F F2147-4023 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.23 CC1(C)CC1CN F8887-5285 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.23 CC1(C)CC1CO F2147-2574 [0,1,0,1,0,0|1,0,0]=3 75 B7R1.23 FC1(F)CC1CBr F2147-3965 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.23 NCC1CC1(Cl)Cl F2124-0445 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.23 NCC1CC1(F)F F2147-3886 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.23 NCC1CC1(F)F F8880-5480 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.23 OCC1CC1(Cl)Cl F0797-0093 [0,1,0,1,0,0|1,0,0]=3 80 B7R1.7 CCNCC1CC1 F2158-1939 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.7 ClCCOC1CC1 F2167-2679 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.7 OCC#CC1CC1 F1913-0427 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.14 CC1(C)CCNC1 F2148-0037 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.26 CC(C)(O)C1CC1 F8889-5999 [0,1,0,1,0,0|1,0,0]=3