0 B6R0.1 CC(CN)CCN BB12-1906 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCCC(O)CN BB58-4054 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCNC(C)CO BB12-1659 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(C)CN BB57-2923 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CC[C@H](N)COC BB20-3253 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CNC(C)CCO BB05-4613 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CNC(C)CCO BB12-1373 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CNCC(C)OC BB55-4648 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 COC(C)CCN BB57-3649 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 COCC(C)C#N BB55-7988 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 COCC(O)CN BB55-6376 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(N)CCO BB57-1076 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CC(O)CNN BB58-3435 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CNCC(C)O BB12-1288 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.2 C=COCCN BB57-6790 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 CCSCCN BB53-1545 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 CCSCCO BB54-1799 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CNCCSC BB57-4145 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 COCCNN BB58-0266 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.2 CSCCC#N BB12-3714 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 N#CCCCN BB58-1324 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 N#CCCCO BB58-5314 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 NNCCCO BB58-0747 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.2 OCCCCCl BB54-0721 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 CCC(C)NC BB53-1672 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.2 CC(C)CC(O)CN BB58-4053 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.2 CN(C)CC(O)CN BB57-3763 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.3 CCCCC(N)CO BB56-2048 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.3 CCCOC(C)CN BB55-6921 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.3 CCNCC(O)CC BB57-7065 [0,1,0,0,0,0|0,0,2]=3 34 B7R0.3 CSCCC(N)CO BB56-2047 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.7 CCCC(N)CCC BB54-4015 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.7 CNCC(O)COC BB17-0811 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.11 C#CC(C)(O)CCC BB54-1632 [0,1,0,0,0,0|0,0,2]=3 40 B7R0.11 CCCC(C)(O)C#N BB58-5222 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.11 CCCC(C)(O)CN BB58-5219 [0,1,0,0,0,0|1,0,1]=3 42 B7R1.1 CCC1CCCN1 BB55-8085 [0,0,0,1,0,0|1,0,2]=4 43 B7R1.1 CNC1CCCC1 BB53-1678 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.1 ClCC1CCCN1 BB54-3837 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.1 NCC1CCCO1 BB12-1343 [0,0,0,1,0,0|1,0,1]=3 46 B7R1.3 BrC1CCCOC1 BB55-3590 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 NC1CCCOC1 BB12-2177 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.3 OC1CCOCC1 BB12-1171 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.3 OC1CCSCC1 BB53-1540 [0,0,0,1,0,0|1,0,2]=4 50 B7R1.4 NC1CCCC1=O BB58-3328 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.4 NC1CCNC1=O BB12-2184 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.22 CCC(N)C1CC1 BB57-2148 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.22 N[C@H](CO)C1CC1 BB32-0741 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.22 OC(CBr)C1CC1 BB58-0634 [0,0,0,1,0,0|1,0,1]=3 56 B4R0.2 CCCNN BB58-2805 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.2 CNCCCl BB57-4776 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.2 CNCCI BB57-4692 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.2 CSCCCl BB53-1396 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 CSCCN BB12-0970 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.2 CC(N)CC(=O)O BB12-2890 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.2 CC(N)CC(C)O BB58-3424 [1,1,0,0,0,0|0,0,1]=3 63 B6R0.4 CCNCC(C)O BB12-1676 [1,1,0,0,0,0|0,0,1]=3 64 B6R0.4 CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.4 CNCCC(=O)O BB12-1452 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.5 CC(C)(O)CCN BB57-2241 [1,1,0,0,0,0|1,0,1]=4 67 B6R0.5 CNCC(C)(C)O BB58-0276 [1,1,0,0,0,0|1,0,1]=4 68 B6R0.6 C=CCCCC#N BB12-2224 [1,1,0,0,0,0|0,0,1]=3 69 B6R0.6 CCCCCNC BB57-3734 [1,1,0,0,0,0|0,0,2]=4 70 B6R0.6 CCCCCNN BB12-2485 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.6 CCCSCCN BB53-1582 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.6 CCOCCNC BB57-2926 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.6 CCSCCNC BB12-0971 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.6 FCCCCCBr BB57-3968 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.8 C#CC(C)(O)CC BB54-0603 [1,1,0,0,0,0|0,0,2]=4 77 B6R0.8 C=CC(C)(C)CO BB57-4301 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.8 CCC(C)(O)C#N BB58-5232 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.8 CCC(C)(O)CN BB58-5227 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,2,0,0,0,0|1,0,1]=4 81 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.34 C#CC(C)(O)CC(C)C BB54-0475 [0,2,0,0,0,0|0,0,2]=4 83 B8R0.3 CCCC(N)C(=O)NC BB55-8840 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [0,2,0,0,0,0|1,0,1]=4 85 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [0,2,0,0,0,0|2,0,0]=4 87 B8R0.9 CC(C)OCC(O)CN BB58-4225 [0,2,0,0,0,0|1,0,1]=4 88 B8R0.25 C#CC(C)(O)CCCC BB54-1631 [0,2,0,0,0,0|0,0,2]=4 89 B8R0.15 CCCC(NC)C(=O)O BB57-2495 [0,2,0,0,0,0|1,0,1]=4 90 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [1,0,0,1,0,0|1,0,1]=4 91 B6R1.10 CC1(N)CCC1 BB57-6091 [1,0,0,1,0,0|1,0,1]=4 92 B6R1.11 CC(N)C1CC1 BB05-4551 [1,0,0,1,0,0|1,0,1]=4 93 B6R1.11 CC(N)C1CC1 BB55-7032 [1,0,0,1,0,0|1,0,1]=4 94 B6R1.1 C1=CCONC1 BB12-1719 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.1 C1CCONC1 BB57-1044 [1,0,0,1,0,0|2,0,0]=4 96 B6R1.6 CNC1CCC1 BB58-0080 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.6 NCC1CCC1 BB12-1679 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.1 OCC1CC(O)CN1 BB54-3096 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.51 CC1(C)CC(O)CN1 BB31-3682 [0,1,0,1,0,0|1,0,1]=4 101 B8R1.51 CC1(C)CC(O)CO1 BB58-3837 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.51 O=S1(=O)C=CC(O)C1 BB57-6160 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.2 BrCC1CCCOC1 BB58-0130 [0,1,0,1,0,0|1,0,1]=4 104 B8R1.2 CCC1CNCCO1 BB58-3597 [0,1,0,1,0,0|0,0,2]=4 105 B8R1.2 COC1CCCNC1 BB12-3161 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.2 ClCC1CCCOC1 BB54-3984 [0,1,0,1,0,0|1,0,1]=4 107 B8R1.2 NCC1CCCCO1 BB57-5862 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.2 NCC1CCCOC1 BB54-2017 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.2 NCC1CNCCO1 BB58-0819 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.2 NCC1COCCO1 BB01-4608 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.2 OCC1CCCCC1 BB20-4574 [0,1,0,1,0,0|0,0,2]=4 112 B8R1.2 OCC1CCCCN1 BB56-1322 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.2 OCC1CCCOC1 BB12-1755 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.2 OCC1COCCO1 BB58-0092 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.3 O=C1C=CC(O)OC1 BB54-5359 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.5 CC1CNCCC1=O BB58-3122 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.5 C[C@H]1CNCC[C@@H]1O BB58-3128 [0,1,0,1,0,0|0,0,2]=4 118 B8R1.5 NC1CCCCC1=O BB58-4091 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.5 O[C@H]1CNCC[C@H]1O BB58-3057 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.50 CN1CCC(Br)C1=O BB58-3454 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.50 CN1CCC(N)C1=O BB58-3639 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.52 C#CC1(O)CCCC1 BB54-0476 [0,1,0,1,0,0|0,0,2]=4 125 B8R1.52 CC1(C#N)CCCO1 BB12-2060 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.52 CC1(CN)CCCO1 BB54-3675 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.52 CCC1(O)CCNC1 BB58-0285 [0,1,0,1,0,0|0,0,2]=4 128 B8R1.52 N#CC1(O)CCCC1 BB58-5220 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.7 CC(N)C1CCCO1 BB05-0765 [0,1,0,1,0,0|0,0,2]=4 131 B8R1.7 CC(N)C1CCCO1 BB55-1059 [0,1,0,1,0,0|0,0,2]=4 132 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.7 O=C(Cl)C1CCCO1 BB20-1591 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.78 NC1(C(=O)O)CCC1 BB57-1033 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.8 CCCC1=CC=CS1 BB05-4767 [0,1,0,1,0,0|0,1,1]=4 136 B8R1.8 CCCN1C=CN=C1 BB12-1504 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.8 N#CCC1CCCO1 BB54-3910 [0,1,0,1,0,0|0,0,2]=4 138 B8R1.8 NCCC1=CC=CO1 BB01-5388 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.8 NCCC1CCCO1 BB54-3985 [0,1,0,1,0,0|0,0,2]=4 140 B8R1.11 CCC1CCCC1=O BB12-2911 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.11 CN1CCCC1CO BB12-1660 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.28 C#CC(C)(O)C1CC1 BB54-5350 [0,1,0,1,0,0|0,0,2]=4 143 B8R1.28 CCC(C)(O)C1CC1 BB12-2976 [0,1,0,1,0,0|0,0,2]=4 144 B8R1.60 N#CC1(CO)CCC1 BB57-1796 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.60 NCC1(CO)CCC1 BB57-0989 [0,1,0,1,0,0|1,0,1]=4