0 B7R1.1 C#CC1CCCN1 F2147-2043 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.1 C#CC1CCCN1 F2167-2863 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.1 C=CC1CCNC1 F2167-8027 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 CCC1CCCN1 F8880-6440 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.1 CCC1CCCN1 F8888-3269 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 CCC1CCNC1 F8881-7172 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 CCC1CCNC1 F8887-6136 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 CNC1CCOC1 F1906-0103 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.1 CNC1CCSC1 F2158-1845 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 N#CC1CCNC1 F1907-0845 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 NOC1CCCC1 F1913-1612 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 OCC1=CN=CO1 F9994-5422 [0,0,0,0,0,0|1,0,3]=4 12 B7R1.1 OC[C@H]1CCCO1 F0001-2349 [0,0,0,0,0,0|0,0,0]=0 13 B6R1.2 NC1CCSC1 F2147-1613 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.1 NN1CCC(CF)C1 F1907-4561 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.1 O=C1NC(CO)CO1 F2147-2878 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.8 BrCCC1CCOC1 F2147-2598 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.8 CCCC1CCCN1 F2167-8037 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.8 CCCC1CCNC1 F8887-7041 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.8 CNCC1CCCC1 F2148-2253 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.8 CNCC1CCCO1 F8880-0480 [0,1,0,0,0,0|1,0,0]=2 21 B8R1.8 CNCC1CCOC1 F2148-2254 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.8 CSCC1CCCN1 F2167-0496 [0,1,0,0,0,0|1,1,0]=3 23 B8R1.8 NCCC1CCCO1 F2167-2778 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.8 NCCC1CCCO1 F8888-1286 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.8 NCCC1CCOC1 F8889-6694 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.8 O=CCC1CCCC1 F2147-1742 [0,1,0,0,0,0|1,0,1]=3 27 B8R1.8 OCCC1CCNC1 F8880-2759 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.8 OCCC1CCOC1 F2147-2597 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.11 C#C[C@@H]1CCC[C@H]1O F1912-1685 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.11 CC1CNCC1CO F8887-5417 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.11 CN[C@@H]1CCC[C@H]1F F1912-2854 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.11 O=C1CCCN1CCl F0861-0039 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.52 CC1(CN)CCCC1 F8881-5936 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.1 CCC(C)CNC F8889-4114 [0,0,1,0,0,0|3,0,0]=4 35 B6R0.1 COCC(N)CO F8888-1239 [0,0,1,0,0,0|2,0,0]=3 36 B8R2.34 C1CC2CC1CN2 F2147-1256 [0,0,0,1,0,0|2,0,0]=3 37 B8R2.34 C1OC2CNC1C2 F1907-0856 [0,0,0,1,0,0|1,0,0]=2 38 B6R1.6 CCC1CNC1 F8881-5075 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.2 C#CC1CCCNC1 F2167-2866 [0,0,0,0,0,1|2,0,1]=4 40 B8R1.2 C#CC1CCNCC1 F2167-2865 [0,0,0,0,0,1|2,0,1]=4 41 B8R1.2 C#CC1CCOCC1 F2147-2832 [0,0,0,0,0,1|2,0,1]=4 42 B8R1.2 C=CC1CCCNC1 F2167-8023 [0,0,0,0,0,1|2,0,1]=4 43 B8R1.2 CCC1CCCNC1 F8887-7918 [0,0,0,0,0,1|2,0,0]=3 44 B8R1.2 CCC1COCCN1 F2148-0111 [0,0,0,0,0,1|2,0,0]=3 45 B8R1.2 FCC1CCNCC1 F2148-2173 [0,0,0,0,0,1|2,0,0]=3 46 B8R1.2 N#CC1CNCCO1 F0001-2713 [0,0,0,0,0,1|1,0,1]=3 47 B5R0.1 CC(O)CC#N F1913-2479 [1,0,1,0,0,0|1,0,1]=4 48 B5R0.1 CC(O)CCN F8880-3625 [1,0,1,0,0,0|1,0,0]=3 49 B5R0.3 COC(C)CN F3377-0028 [1,0,1,0,0,0|1,0,0]=3 50 B7R0.3 CCCCC(O)CN F2189-0851 [0,1,1,0,0,0|1,0,0]=3 51 B7R0.10 CCN(C)C(C)CN F2186-0114 [0,1,1,0,0,0|2,0,0]=4 52 B7R0.11 CC(C)(CO)CCO F2147-6492 [0,1,1,0,0,0|2,0,0]=4 53 B7R0.4 CC(C)COCCN F2167-3704 [0,1,1,0,0,0|1,0,0]=3 54 B7R0.15 CCC(CN)N(C)C F2186-0009 [0,1,1,0,0,0|2,0,0]=4 55 B7R1.2 CC1CCC(C)N1 F2124-0275 [1,1,0,0,0,0|1,0,0]=3 56 B7R1.4 CC1CCCC1N F8888-6869 [1,1,0,0,0,0|1,0,0]=3 57 B7R1.4 O=C1CCCC1Br F8888-2301 [1,1,0,0,0,0|2,0,0]=4 58 B7R1.4 OC1CNCC1F F2167-4338 [1,1,0,0,0,0|2,0,0]=4 59 B7R1.14 CC1(C)CCNC1 F2148-0037 [1,1,0,0,0,0|2,0,0]=4 60 B7R1.6 CCSC1CNC1 F2147-1202 [0,1,0,0,1,0|2,0,0]=4 61 B7R1.6 N#CCC1CNC1 F2158-1595 [0,1,0,0,1,0|2,0,0]=4 62 B7R1.6 NNCC1CCC1 F1904-0041 [0,1,0,0,1,0|1,0,0]=3 63 B7R1.6 OCCN1CCC1 F1904-0065 [0,1,0,0,1,0|1,0,0]=3 64 B7R1.10 C=C1CC(CN)C1 F2147-8211 [0,1,0,0,1,0|1,0,1]=4 65 B7R1.10 CC1CC(CO)C1 F1913-0298 [0,1,0,0,1,0|0,0,0]=2 66 B7R1.10 CO[C@H]1C[C@H](N)C1 F1913-1435 [0,1,0,0,1,0|2,0,0]=4 67 B7R1.10 NCC1CC(O)C1 F2147-4238 [0,1,0,0,1,0|1,0,0]=3 68 B7R1.10 NN1CC(CF)C1 F1907-5374 [0,1,0,0,1,0|2,0,0]=4 69 B7R1.10 NN1CC(CO)C1 F1907-4887 [0,1,0,0,1,0|1,0,0]=3 70 B7R1.25 CC1(CN)CCC1 F8888-3506 [0,1,0,0,1,0|1,0,0]=3 71 B7R1.25 NCC1(O)COC1 F2147-8619 [0,1,0,0,1,0|2,0,0]=4 72 B7R1.25 OCC1(F)CNC1 F2167-4375 [0,1,0,0,1,0|1,0,0]=3 73 B9R1.1 CCC1CCC(N)CC1 F2167-8035 [0,1,0,0,0,1|2,0,0]=4 74 B9R1.1 NN1CCC(CF)CC1 F1907-4477 [0,1,0,0,0,1|2,0,0]=4 75 B9R1.2 CN1CCCC(CN)C1 F2147-0147 [0,1,0,0,0,1|2,0,0]=4 76 B9R1.2 CN1CCOC(CN)C1 F2147-0145 [0,1,0,0,0,1|1,0,0]=3 77 B9R1.2 NN1CCCC(CF)C1 F1907-4518 [0,1,0,0,0,1|2,0,0]=4 78 B9R1.6 CC(C)C1CCCCN1 F8880-1089 [0,1,0,0,0,1|2,0,0]=4 79 B9R1.6 CC(C)C1CNCCO1 F8880-0813 [0,1,0,0,0,1|1,0,0]=3 80 B9R1.6 CC(O)C1CCCNC1 F8887-4658 [0,1,0,0,0,1|1,0,0]=3 81 B9R1.6 FC(F)C1CCNCC1 F1907-0804 [0,1,0,0,0,1|2,0,0]=4 82 B9R1.6 NC(=O)C1CNCCO1 F1913-0331 [0,1,0,0,0,1|0,0,2]=4 83 B9R1.8 C=COC1CCCCO1 F1913-1699 [0,1,0,0,0,1|1,0,1]=4 84 B9R1.8 CNCC1CCCCC1 F8881-1847 [0,1,0,0,0,1|2,0,0]=4 85 B9R1.8 CNCC1CCNCC1 F1911-1759 [0,1,0,0,0,1|2,0,0]=4 86 B9R1.8 COCC1CCCNC1 F2158-0917 [0,1,0,0,0,1|1,0,0]=3 87 B9R1.8 N#CCC1CCCNC1 F2167-8343 [0,1,0,0,0,1|2,0,0]=4 88 B9R1.8 N#CCC1CCNCC1 F8881-0398 [0,1,0,0,0,1|2,0,0]=4 89 B9R1.8 NCCC1CCCCO1 F8888-7701 [0,1,0,0,0,1|1,0,0]=3 90 B9R1.8 NCCC1CCCOC1 F2147-8424 [0,1,0,0,0,1|1,0,0]=3 91 B9R1.8 OCCC1CCCCO1 F8880-4307 [0,1,0,0,0,1|0,0,0]=2 92 B9R1.15 NCC1CCCCC1O F2147-1891 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.15 NC[C@H]1CCCC[C@@H]1O F2147-1913 [0,1,0,0,0,1|2,0,0]=4 94 B9R1.118 CC1(CO)CCCNC1 F8881-3718 [0,1,0,0,0,1|1,0,0]=3 95 B9R1.118 NC1(CO)CCOCC1 F8881-2327 [0,1,0,0,0,1|1,0,0]=3 96 B9R1.118 NCC1(F)CCCCC1 F8888-6591 [0,1,0,0,0,1|2,0,0]=4 97 B9R1.118 NCC1(O)CCSCC1 F8880-0412 [0,1,0,0,0,1|2,0,0]=4 98 B9R1.118 OCC1(F)CCCCC1 F2167-7997 [0,1,0,0,0,1|1,0,0]=3 99 B9R1.118 OCC1(F)CCNCC1 F2167-4372 [0,1,0,0,0,1|1,0,0]=3 100 B9R1.21 OCC1CCC(CO)O1 F1913-2829 [0,2,0,0,0,0|0,0,0]=2 101 B9R1.22 CC1CN(N)CC1CO F1907-6395 [0,2,0,0,0,0|2,0,0]=4 102 B9R1.133 NCC1CCC(F)(F)C1 F8888-7678 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.133 O=S1(=O)CCC(CO)C1 F1294-0070 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.41 CC(C)C1CCCC1O F8885-0772 [0,2,0,0,0,0|2,0,0]=4 105 B9R1.41 CC(O)C1CCCN1N F1907-5490 [0,2,0,0,0,0|1,0,0]=3 106 B9R1.163 CC1(C(=O)O)CCCN1 F8888-1238 [0,2,0,0,0,0|1,0,1]=4 107 B9R1.163 CC1(C(=O)O)CCCO1 F8881-6403 [0,2,0,0,0,0|0,0,1]=3 108 B9R1.12 C#CCOC1CCCC1 F2167-2803 [0,2,0,0,0,0|2,0,0]=4 109 B9R1.12 CCCCC1CCCN1 F8881-8301 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.12 NCCNC1CCCC1 F2187-0288 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.12 O=CNCC1CCCO1 F1984-0349 [0,2,0,0,0,0|0,0,1]=3 112 B9R1.12 OCCCC1CCCN1 F8880-5646 [0,2,0,0,0,0|1,0,0]=3 113 B9R1.12 [N-]=[N+]=NCC1CCCC1 F2157-0460 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.13 O=C(O)CC1CCCO1 F8881-1071 [0,2,0,0,0,0|0,0,0]=2 115 B9R1.33 C=CCC1CCCC1=O F8882-8106 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.33 CCCC1CCCC1=O F8888-3095 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.33 CCN[C@@H]1CCC[C@H]1F F1912-2838 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.14 OC[C@H]1CNC[C@@H]1CO F2197-0283 [0,2,0,0,0,0|2,0,0]=4 119 B7R1.7 ClCCOC1CC1 F2167-2679 [0,0,1,1,0,0|1,0,0]=3 120 B7R1.7 OCC#CC1CC1 F1913-0427 [0,0,1,1,0,0|1,0,1]=4 121 B7R1.24 C1CNCCOC1 F1905-6472 [0,0,1,1,0,0|1,0,0]=3 122 B9R2.53 NN1C2COCC1C2 F1907-4801 [0,0,0,1,0,1|2,0,0]=4 123 B9R2.174 C1CCC2(CC2)NC1 F1913-0607 [0,0,0,1,0,1|2,0,0]=4 124 B9R2.174 C1CCC2(CC2)NC1 F1913-0608 [0,0,0,1,0,1|2,0,0]=4 125 B9R2.174 C1CNCC2(C1)CC2 F2167-3581 [0,0,0,1,0,1|2,0,0]=4 126 B9R2.3 C1NCC2COCC12 F8881-2685 [0,1,0,1,0,0|2,0,0]=4 127 B9R2.173 C1CC2(CN1)COC2 F2147-8615 [0,1,0,1,0,0|2,0,0]=4 128 B5R1.2 CC1CCN1 F8888-7636 [1,0,0,0,1,0|1,0,0]=3 129 B5R1.2 NC1CSC1 F1907-0861 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.89 CCC1CCCNCC1 F8887-5464 [0,0,0,0,0,2|2,0,0]=4