0 B7R0.1 CCNCCOCC F8880-0814 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.6 CCCCN=[N+]=[N-] F1901-3137 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.6 CCOCCNC F8880-1014 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.6 COCCCNN F8887-6111 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.1 CCCCN(C)CCN F2187-2167 [0,1,0,0,0,0|2,0,0]=3 5 B8R0.1 COCCN(C)CCN F2187-0362 [0,1,0,0,0,0|3,0,0]=4 6 B8R0.4 CCCCCCN=[N+]=[N-] F1901-3141 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.7 CC(C)CCOCCO F2148-1935 [0,1,0,0,0,0|0,0,0]=1 8 B8R1.2 CCC1CCCNC1 F8887-7918 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.2 CCC1COCCN1 F2148-0111 [0,0,0,1,0,0|1,0,0]=2 10 B8R1.2 FCC1CCNCC1 F2148-2173 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.2 N#CC1CNCCO1 F0001-2713 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.5 FC1CCCCC1Br F1911-2865 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.8 BrCCC1CCOC1 F2147-2598 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.8 CCCC1CCCN1 F2167-8037 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.8 CCCC1CCNC1 F8887-7041 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.8 CNCC1CCCC1 F2148-2253 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.8 CNCC1CCCO1 F8880-0480 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.8 CSCC1CCCN1 F2167-0496 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.8 NCCC1CCCO1 F2167-2778 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.8 NCCC1CCCO1 F8888-1286 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.8 NCCC1CCOC1 F8889-6694 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.8 O=CCC1CCCC1 F2147-1742 [0,0,0,1,0,0|1,0,2]=4 23 B8R1.8 OCCC1CCNC1 F8880-2759 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.8 OCCC1CCOC1 F2147-2597 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.10 C#CCNC1CCC1 F8882-7149 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.10 C#CCOC1CCC1 F2167-2800 [0,0,0,1,0,0|1,0,1]=3 27 B8R1.11 C#C[C@@H]1CCC[C@H]1O F1912-1685 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.11 CC1CNCC1CO F8887-5417 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.11 CN[C@@H]1CCC[C@H]1F F1912-2854 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.22 CC1CCCCCN1 F8880-1466 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.22 CC1CNCCCO1 F2148-0118 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.22 CC1CNCCSC1 F2147-1411 [0,0,0,1,0,0|2,1,0]=4 33 B8R1.36 C#CCOCC1CC1 F2167-2810 [0,0,0,1,0,0|1,0,1]=3 34 B8R1.36 C=CCNCC1CC1 F2158-1949 [0,0,0,1,0,0|2,0,1]=4 35 B7R0.3 CCCCC(O)CN F2189-0851 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.4 CC(C)COCCN F2167-3704 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.4 CCCCNC(C)C F1911-1667 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.4 CCNCCC(C)C F1911-1772 [1,1,0,0,0,0|1,0,0]=3 39 B9R0.5 CCCC(C)NCCOC F1967-9327 [0,2,0,0,0,0|1,0,0]=3 40 B9R0.2 CCCCSCCC(=O)O F0907-4170 [0,2,0,0,0,0|0,1,0]=3 41 B9R0.46 CCC(C)NCCCOC F1967-9269 [0,2,0,0,0,0|2,0,0]=4 42 B9R0.38 NCCCOCC(F)(F)F F2135-0385 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.38 NCCCOCC(F)(F)F F2167-3771 [0,2,0,0,0,0|2,0,0]=4 44 B7R1.1 CCC1CCCN1 F8880-6440 [1,0,0,1,0,0|1,0,0]=3 45 B7R1.1 CCC1CCCN1 F8888-3269 [1,0,0,1,0,0|1,0,0]=3 46 B7R1.1 CCC1CCNC1 F8881-7172 [1,0,0,1,0,0|1,0,0]=3 47 B7R1.1 CCC1CCNC1 F8887-6136 [1,0,0,1,0,0|1,0,0]=3 48 B7R1.1 CNC1CCOC1 F1906-0103 [1,0,0,1,0,0|1,0,0]=3 49 B7R1.1 CNC1CCSC1 F2158-1845 [1,0,0,1,0,0|1,1,0]=4 50 B7R1.1 NOC1CCCC1 F1913-1612 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.1 OC[C@H]1CCCO1 F0001-2349 [1,0,0,1,0,0|0,0,0]=2 52 B7R1.4 CC1CCCC1N F8888-6869 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.4 OC1CNCC1F F2167-4338 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.6 CCSC1CNC1 F2147-1202 [1,0,0,1,0,0|1,1,0]=4 55 B7R1.6 NNCC1CCC1 F1904-0041 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.6 OCCN1CCC1 F1904-0065 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.7 CCNCC1CC1 F2158-1939 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.7 ClCCOC1CC1 F2167-2679 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.7 OCC#CC1CC1 F1913-0427 [1,0,0,1,0,0|0,0,2]=4 60 B7R1.24 C1CNCCOC1 F1905-6472 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.2 CN1CCOC(CN)C1 F2147-0145 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.8 C=COC1CCCCO1 F1913-1699 [0,1,0,1,0,0|1,0,1]=4 63 B9R1.8 CNCC1CCCCC1 F8881-1847 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.8 COCC1CCCNC1 F2158-0917 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.8 FCCN1CCNCC1 F1907-0836 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.8 ICCN1CCOCC1 F8883-7945 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.8 NCCC1CCCCO1 F8888-7701 [0,1,0,1,0,0|1,0,0]=3 68 B9R1.8 NCCC1CCCOC1 F2147-8424 [0,1,0,1,0,0|1,0,0]=3 69 B9R1.8 OCCC1CCCCO1 F8880-4307 [0,1,0,1,0,0|0,0,0]=2 70 B9R1.12 C#CCCN1CCCC1 F2147-2117 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.12 C#CCOC1CCCC1 F2167-2803 [0,1,0,1,0,0|1,0,1]=4 72 B9R1.12 C#CCOC1CCOC1 F2167-2799 [0,1,0,1,0,0|1,0,1]=4 73 B9R1.12 CCCCC1CCCN1 F8881-8301 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.12 CCNCC1CCOC1 F8889-8403 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.12 NCCNC1CCCC1 F2187-0288 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.12 OCCCC1CCCN1 F8880-5646 [0,1,0,1,0,0|1,0,0]=3 77 B9R1.15 CN[C@@H]1CCCC[C@H]1F F1912-2786 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.15 CN[C@H]1CCCC[C@@H]1O F6545-4452 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.15 NCC1CCCCC1O F2147-1891 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.15 NC[C@H]1CCCC[C@@H]1O F2147-1913 [0,1,0,1,0,0|1,0,0]=3 81 B9R1.22 CC1CN(N)CC1CO F1907-6395 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.33 CC#C[C@@H]1CCC[C@H]1O F1912-1688 [0,1,0,1,0,0|1,0,1]=4 83 B9R1.33 CC#C[C@@H]1COC[C@H]1O F1912-1706 [0,1,0,1,0,0|0,0,1]=3 84 B9R1.33 CCCC1CCCC1=O F8888-3095 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.33 CCN[C@@H]1CCC[C@H]1F F1912-2838 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.33 CCN[C@@H]1COC[C@H]1F F1912-2906 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.33 CCS[C@@H]1COC[C@H]1O F1912-2181 [0,1,0,1,0,0|0,0,0]=2 88 B9R1.75 CCCC(C)NC1CC1 F1967-9362 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.14 OC[C@H]1CNC[C@@H]1CO F2197-0283 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.83 CCNCCNC1CC1 F2147-1528 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.83 CCOCCNC1CC1 F1911-1744 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.83 COCCNCC1CC1 F2158-1943 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.89 CCC1CCCNCC1 F8887-5464 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.1 CCC1CCC(N)CC1 F2167-8035 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.21 OCC1CCC(CO)O1 F1913-2829 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.80 CCC(C)CNC1CC1 F1911-1807 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.80 CCC(C)NCC1CC1 F1967-9490 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.118 CC1(CO)CCCNC1 F8881-3718 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.118 NC1(CO)CCOCC1 F8881-2327 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.118 NCC1(F)CCCCC1 F8888-6591 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.118 OCC1(F)CCCCC1 F2167-7997 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.118 OCC1(F)CCNCC1 F2167-4372 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.6 CC(C)C1CCCCN1 F8880-1089 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.6 CC(C)C1CNCCO1 F8880-0813 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.6 CC(O)C1CCCNC1 F8887-4658 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.13 CC(N)CN1CCCC1 F8880-3927 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.41 CC(C)C1CCCC1O F8885-0772 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.41 CN(C)[C@@H]1CNC[C@H]1O F6545-6222 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.85 O=C(O)COCC1CC1 F8889-0413 [0,1,0,1,0,0|0,0,1]=3 110 B9R1.148 CC1(C)CCNCCS1 F2147-1372 [0,1,0,1,0,0|1,1,0]=4 111 B9R2.174 C1CCC2(CC2)NC1 F1913-0607 [0,0,0,2,0,0|2,0,0]=4 112 B9R2.174 C1CCC2(CC2)NC1 F1913-0608 [0,0,0,2,0,0|2,0,0]=4 113 B9R2.174 C1CNCC2(C1)CC2 F2167-3581 [0,0,0,2,0,0|2,0,0]=4 114 B9R2.3 C1NCC2COCC12 F8881-2685 [0,0,0,2,0,0|2,0,0]=4 115 B9R2.157 C1CC(NC2CC2)C1 F2145-0930 [0,0,0,2,0,0|2,0,0]=4 116 B9R2.69 C1CC1CNC2CC2 F8880-7397 [0,0,0,2,0,0|2,0,0]=4