0 B5R0.1 CC(=O)CCBr BB31-4479 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(O)CCBr BB32-3029 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CNCC(F)F BB31-9778 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 COCC(C)Br BB31-8127 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C[C@H](N)CC#N BB31-5263 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 O=C(O)CCF BB32-2513 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C#C[C@H](C)N BB31-2680 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 CC(N)C#N BB31-5240 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 OCC(Cl)Cl BB31-5600 [1,0,0,0,0,0|2,1,0]=4 9 B4R0.2 C=CCCI BB31-6880 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.2 NCCON BB32-1546 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CCC(O)CC#N BB31-2014 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 CCCC(=O)CCl BB31-4027 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 CN(C=O)CCO BB31-3078 [0,1,0,0,0,0|1,1,1]=4 14 B6R0.1 C[C@@H](CO)CCN BB31-5417 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.1 OCC[C@H](O)CCl BB31-2429 [0,1,0,0,0,0|1,1,0]=3 16 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,1,0,0,0,0|1,1,0]=3 17 B6R0.3 CN(C)C(=O)CI BB31-8712 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.4 CC(=O)CCCBr BB31-6000 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.5 CC(C)(C)CCN BB31-4614 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.5 CC(C)(C)\C=N\O BB32-2942 [0,1,0,0,0,0|1,1,1]=4 21 B6R0.5 COCC(C)(C)N BB31-4342 [0,1,0,0,0,0|2,0,0]=3 22 B6R1.2 BrC1CCSC1 BB52-7755 [0,0,0,1,0,0|1,0,0]=2 23 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [0,0,0,1,0,0|1,0,0]=2 24 B6R1.2 C[C@H]1CCNC1 BB31-5082 [0,0,0,1,0,0|1,0,0]=2 25 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.2 NC1CCSC1 BB52-7752 [0,0,0,1,0,0|1,0,0]=2 27 B6R1.2 OC1CCSC1 BB52-7751 [0,0,0,1,0,0|1,0,0]=2 28 B6R1.2 O[C@@H]1CNOC1 BB31-5422 [0,0,0,1,0,0|2,1,0]=4 29 B6R1.3 BrCCC1CC1 BB31-5305 [0,0,0,1,0,0|1,0,0]=2 30 B6R1.3 CCNC1CC1 BB31-5032 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.3 ICCC1CC1 BB32-1715 [0,0,0,1,0,0|1,0,0]=2 32 B6R1.3 NNCC1CC1 BB31-6121 [0,0,0,1,0,0|2,0,0]=3 33 B6R1.3 NNCC1CC1 BB31-9304 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.3 NOCC1CC1 BB31-6884 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.3 OCC[C@@H]1CO1 BB31-6861 [0,0,0,1,0,0|1,1,0]=3 36 B6R1.5 CN1CC(=O)C1 BB31-3564 [0,0,0,1,0,0|1,1,1]=4 37 B6R1.5 CN1CC(N)C1 BB31-5035 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.5 CN1CC(O)C1 BB31-5794 [0,0,0,1,0,0|1,1,0]=3 39 B6R1.5 N[C@H]1C[C@H](F)C1 BB31-2535 [0,0,0,1,0,0|2,0,0]=3 40 B6R1.5 O=C1CC(O)C1 BB31-5120 [0,0,0,1,0,0|1,1,1]=4 41 B6R1.5 O[C@H]1C[C@H](F)C1 BB31-1536 [0,0,0,1,0,0|1,1,0]=3 42 B6R1.9 NC1CC1(F)F BB31-5012 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.10 CC1(C)CCN1 BB31-8862 [0,0,0,1,0,0|1,0,0]=2 44 B6R1.10 CC1(N)CNC1 BB31-1091 [0,0,0,1,0,0|3,0,0]=4 45 B5R0.3 CC(CO)CBr BB31-7772 [1,1,0,0,0,0|0,1,0]=3 46 B5R0.3 CCC(=O)CN BB31-8248 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.3 CO[C@@H](C)CO BB31-0453 [1,1,0,0,0,0|0,1,0]=3 48 B5R0.3 NCC(Br)CBr BB31-7157 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.3 NCC(O)CCl BB31-4889 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.4 CC(C)(F)CN BB31-5316 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.2 C#CCCCBr BB31-4992 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.2 C=CCCCI BB31-6966 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.2 C=CCCCN BB31-4446 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.2 CCSCCN BB31-5588 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.2 N#CCCCN BB32-0548 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.2 OCCCCI BB32-2029 [1,1,0,0,0,0|0,1,0]=3 57 B7R0.2 CC(C)CC(N)C#N BB31-5651 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.5 CC(C)C(C)CCO BB31-7531 [0,2,0,0,0,0|0,1,0]=3 59 B7R0.5 CC(C)C(N)CCO BB31-5763 [0,2,0,0,0,0|0,1,0]=3 60 B7R0.5 CC(C)N(C)CCO BB31-4522 [0,2,0,0,0,0|0,1,0]=3 61 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,2,0,0,0,0|0,1,1]=4 62 B7R0.10 O[C@H](CCl)[C@@H](O)CCl BB31-6193 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.11 CC(C)(CO)CCO BB31-8012 [0,2,0,0,0,0|0,1,0]=3 64 B7R0.9 CC(O)CC(C)(C)C BB31-5872 [0,2,0,0,0,0|0,1,0]=3 65 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,2,0,0,0,0|0,1,1]=4 66 B7R0.16 CC(C)C(N)C(C)C BB32-2069 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.14 CC(C)(C)C(=O)CO BB32-2137 [0,2,0,0,0,0|0,1,1]=4 68 B7R0.14 CC(C)(O)[C@H](F)CN BB32-0764 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.15 CCN(N=O)C(C)C BB32-0816 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,2,0,0,0,0|0,1,0]=3 71 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,2,0,0,0,0|1,1,0]=4 72 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,2,0,0,0,0|1,1,0]=4 73 B7R0.8 CC(C)(C)C#CCN BB31-0353 [0,2,0,0,0,0|1,0,1]=4 74 B5R1.2 BrC1CNC1 BB31-5774 [1,0,0,1,0,0|2,0,0]=4 75 B5R1.2 CC1CCN1 BB31-0642 [1,0,0,1,0,0|1,0,0]=3 76 B5R1.2 ClC1CNC1 BB31-7993 [1,0,0,1,0,0|2,0,0]=4 77 B5R1.2 NC1CSC1 BB31-1853 [1,0,0,1,0,0|1,0,0]=3 78 B5R1.2 SC1CNC1 BB31-3722 [1,0,0,1,0,0|2,0,0]=4 79 B5R1.4 N[C@@H]1C[C@@H]1F BB31-2658 [1,0,0,1,0,0|2,0,0]=4 80 B5R1.4 N[C@@H]1C[C@H]1N BB32-1814 [1,0,0,1,0,0|2,0,0]=4 81 B5R1.4 N[C@H]1C[C@H]1N BB32-3586 [1,0,0,1,0,0|2,0,0]=4 82 B5R1.1 C1CNNC1 BB31-6290 [1,0,0,1,0,0|2,0,0]=4 83 B5R1.1 C1CNOC1 BB31-7828 [1,0,0,1,0,0|1,1,0]=4 84 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [0,1,0,1,0,0|0,1,0]=3 86 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [0,1,0,1,0,0|0,1,0]=3 87 B7R1.1 CO[C@@H]1CCNC1 BB31-1407 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.1 CO[C@H]1CCNC1 BB31-1406 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [0,1,0,1,0,0|1,0,0]=3 91 B7R1.1 N#C[C@H]1CCNC1 BB31-0628 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [0,1,0,1,0,0|0,1,0]=3 93 B7R1.1 OCC1CCNC1 BB52-8382 [0,1,0,1,0,0|1,0,0]=3 94 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [0,1,0,1,0,0|0,1,0]=3 95 B7R1.2 CN1CC[C@@H](N)C1 BB31-5227 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,1,0,1,0,0|1,1,0]=4 97 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,1,0,1,0,0|1,1,0]=4 98 B7R1.2 NC1CCC(O)C1 BB31-2061 [0,1,0,1,0,0|1,1,0]=4 99 B7R1.2 N[C@@H]1CC[C@@H](N)C1 BB32-0743 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [0,1,0,1,0,0|1,1,0]=4 101 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [0,1,0,1,0,0|1,1,0]=4 102 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [0,1,0,1,0,0|1,1,0]=4 103 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,1,0,1,0,0|1,1,0]=4 104 B7R1.3 CC1=CCNCC1 BB31-4858 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.3 CN1CC=CCC1 BB31-7198 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,1,0,1,0,0|1,0,0]=3 107 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.3 IC1CCNCC1 BB32-0018 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,1,0,1,0,0|1,1,0]=4 110 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,1,0,1,0,0|1,1,0]=4 111 B7R1.3 OC1CC=CCC1 BB31-4823 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,1,0,1,0,0|1,1,0]=4 113 B7R1.3 SC1CCCNC1 BB31-1279 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.4 Br[C@@H]1CCC[C@H]1Br BB31-0304 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.4 N[C@@H]1CNC[C@H]1F BB31-1134 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.4 N[C@@H]1COC[C@@H]1O BB32-0460 [0,1,0,1,0,0|1,1,0]=4 117 B7R1.4 N[C@@H]1COC[C@H]1O BB31-5283 [0,1,0,1,0,0|1,1,0]=4 118 B7R1.4 N[C@@H]1COC[C@H]1O BB32-1570 [0,1,0,1,0,0|1,1,0]=4 119 B7R1.4 N[C@H]1CCC[C@H]1N BB31-4642 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.4 N[C@H]1COC[C@@H]1N BB32-2872 [0,1,0,1,0,0|1,1,0]=4 121 B7R1.4 N[C@H]1COC[C@@H]1O BB31-3986 [0,1,0,1,0,0|1,1,0]=4 122 B7R1.4 N[C@H]1COC[C@@H]1O BB32-1041 [0,1,0,1,0,0|1,1,0]=4 123 B7R1.4 O[C@H]1CNC[C@@H]1F BB31-3989 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.6 C=CCC1CNC1 BB31-3197 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.6 CCNC1COC1 BB32-0308 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.6 CCOC1CNC1 BB32-2240 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.6 CNCC1COC1 BB31-2533 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.6 COCC1CNC1 BB31-0895 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.6 OCCC1COC1 BB31-4347 [0,1,0,1,0,0|0,1,0]=3 130 B7R1.6 OCCN1CCC1 BB31-7265 [0,1,0,1,0,0|1,1,0]=4 131 B7R1.9 OC[C@H]1C[C@H]1CO BB31-4235 [0,1,0,1,0,0|0,1,0]=3 132 B7R1.10 CCN1CC(O)C1 BB31-5522 [0,1,0,1,0,0|1,1,0]=4 133 B7R1.10 CN1CC(CN)C1 BB32-0572 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.10 CN1CC(CO)C1 BB31-2891 [0,1,0,1,0,0|1,1,0]=4 135 B7R1.10 CNC1CC(O)C1 BB32-0317 [0,1,0,1,0,0|0,1,0]=3 136 B7R1.10 CN[C@H]1C[C@@H](O)C1 BB31-2520 [0,1,0,1,0,0|0,1,0]=3 137 B7R1.10 CN[C@H]1C[C@H](O)C1 BB31-2532 [0,1,0,1,0,0|0,1,0]=3 138 B7R1.10 COC1CC(=O)C1 BB31-4629 [0,1,0,1,0,0|0,1,1]=4 139 B7R1.10 CO[C@H]1C[C@H](N)C1 BB31-2519 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.10 N#C[C@H]1C[C@@H](N)C1 BB31-3230 [0,1,0,1,0,0|1,0,1]=4 141 B7R1.10 N#C[C@H]1C[C@@H](O)C1 BB31-8519 [0,1,0,1,0,0|0,1,1]=4 142 B7R1.10 N#C[C@H]1C[C@H](O)C1 BB31-6405 [0,1,0,1,0,0|0,1,1]=4 143 B7R1.10 NCC1CC(=O)C1 BB31-2692 [0,1,0,1,0,0|0,1,1]=4 144 B7R1.10 NCC1CC(O)C1 BB58-2198 [0,1,0,1,0,0|0,1,0]=3 145 B7R1.10 NC[C@H]1C[C@@H](O)C1 BB31-2482 [0,1,0,1,0,0|0,1,0]=3 146 B7R1.10 N[C@H]1C[C@@H](CO)C1 BB31-9750 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [0,1,0,1,0,0|0,1,1]=4 148 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [0,1,0,1,0,0|0,1,1]=4 149 B7R1.21 CC1(CCO)N=N1 BB31-4324 [0,1,0,1,0,0|1,1,0]=4 150 B7R1.22 CCC(N)C1CC1 BB31-5288 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.22 CCC(O)C1CC1 BB32-0693 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.25 CC1(CO)CCO1 BB31-4926 [0,1,0,1,0,0|0,1,0]=3 153 B7R1.25 CC1(CO)CNC1 BB31-2564 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.25 NC1(CO)CCC1 BB31-3490 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.25 NCC1(O)CCC1 BB31-3491 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,1,0,1,0,0|0,1,1]=4 157 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,1,0,1,0,0|0,1,1]=4 158 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [0,1,0,1,0,0|0,1,1]=4 159 B7R1.16 CC1(C)CC(Br)C1 BB32-1942 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.16 C[C@]1(N)C[C@H](O)C1 BB31-2494 [0,1,0,1,0,0|0,1,0]=3 161 B7R1.16 FC1(F)CC(Br)C1 BB31-1699 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.18 CC(N)C1CCC1 BB31-5264 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.18 CC(O)C1CNC1 BB31-4088 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.7 BrCC#CC1CC1 BB31-5367 [0,1,0,1,0,0|1,0,1]=4 165 B7R1.7 OCCNC1CC1 BB32-1964 [0,1,0,1,0,0|0,1,0]=3 166 B7R1.14 CC1(C)CCCN1 BB52-8585 [0,1,0,1,0,0|1,0,0]=3 167 B7R1.14 CC1(C)CCNC1 BB31-5023 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.14 CC1(C)COCN1 BB31-4898 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.14 FC1(F)CCNC1 BB31-8014 [0,1,0,1,0,0|2,0,0]=4 170 B7R2.11 C1NC2CC1C2 BB31-5093 [0,0,0,2,0,0|1,0,0]=3