0 B6R0.1 C=CC(O)CC#N BB32-1252 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCCC(=O)CCl BB31-4027 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CN(C=O)CCO BB31-3078 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 C[C@@H](CO)CCN BB31-5417 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 OCC[C@H](O)CCl BB31-2429 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(=O)CCBr BB31-4479 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 CC(O)CCBr BB32-3029 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.1 CNCC(F)F BB31-9778 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 COCC(C)Br BB31-8127 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 COCC(N)=O BB31-3207 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C[C@H](N)CC#N BB31-5263 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 O=C(O)CCF BB32-2513 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C#CCCCBr BB31-4992 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 C=CCCCI BB31-6966 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.2 C=CCCCN BB31-4446 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.2 CCSCCN BB31-5588 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 N#CCCCN BB32-0548 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 OCCCCI BB32-2029 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.3 C=C[C@H](N)CO BB32-0951 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.3 CC(CO)CBr BB31-7772 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.3 CO[C@@H](C)CO BB31-0453 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.3 O=C[C@H](O)CO BB31-6122 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.2 CC(C)CC(N)C#N BB31-5651 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.5 CC(C)C(C)CCO BB31-7531 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.11 CC(C)(CO)CCO BB31-8012 [0,1,0,0,0,0|1,0,2]=4 27 B7R1.1 C#CC1CCCN1 BB31-1749 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.1 CO[C@@H]1CCNC1 BB31-1407 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.1 CO[C@H]1CCNC1 BB31-1406 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.1 N#C[C@@H]1CCCN1 BB31-4661 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.1 N#C[C@H]1CCCN1 BB31-7033 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.1 N#C[C@H]1CCNC1 BB31-0628 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.1 OCC1CCNC1 BB52-8382 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [0,0,0,1,0,0|1,0,2]=4 41 B7R1.2 O[C@@H]1C=C[C@H](O)C1 BB31-6115 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.3 CC1=CCNCC1 BB31-4858 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,0,0,1,0,0|1,0,1]=3 44 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,0,0,1,0,0|1,0,2]=4 46 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,0,0,1,0,0|1,0,2]=4 47 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.3 SC1CCCNC1 BB31-1279 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.4 Br[C@@H]1CCC[C@H]1Br BB31-0304 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.4 NC1CCNC1=O BB31-0754 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.4 NC1CCOC1=O BB52-6516 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.4 N[C@H]1CCC[C@H]1N BB31-4642 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.6 CCNC1COC1 BB32-0308 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.6 CCOC1CNC1 BB32-2240 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.6 CNCC1COC1 BB31-2533 [0,0,0,1,0,0|1,0,2]=4 56 B7R1.6 COCC1CNC1 BB31-0895 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.6 OCCC1COC1 BB31-4347 [0,0,0,1,0,0|1,0,2]=4 58 B7R1.9 OC[C@H]1C[C@H]1CO BB31-4235 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.10 CN1CC(CN)C1 BB32-0572 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.10 CN1CC(CO)C1 BB31-2891 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.10 CNC1CC(O)C1 BB32-0317 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.10 CN[C@H]1C[C@@H](O)C1 BB31-2520 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.10 CN[C@H]1C[C@H](O)C1 BB31-2532 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.10 CO[C@H]1C[C@H](N)C1 BB31-2519 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.10 N#C[C@H]1C[C@@H](N)C1 BB31-3230 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.10 N#C[C@H]1C[C@@H](O)C1 BB31-8519 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.10 N#C[C@H]1C[C@H](O)C1 BB31-6405 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.10 NCC1CC(O)C1 BB58-2198 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.10 NC[C@H]1C[C@@H](O)C1 BB31-2482 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.10 N[C@H]1C[C@@H](CO)C1 BB31-9750 [0,0,0,1,0,0|1,0,2]=4 71 B7R1.21 CC1(CCO)N=N1 BB31-4324 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.22 CCC(N)C1CC1 BB31-5288 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.22 CCC(O)C1CC1 BB32-0693 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.25 C#CC1(O)CCC1 BB31-7560 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.25 C=CC1(O)COC1 BB31-8834 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.25 CC1(C#N)COC1 BB32-0857 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.25 CC1(CO)CCO1 BB31-4926 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.25 CC1(CO)CNC1 BB31-2564 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.25 NC1(CO)CCC1 BB31-3490 [0,0,0,1,0,0|1,0,2]=4 80 B7R1.25 NCC1(O)CCC1 BB31-3491 [0,0,0,1,0,0|2,0,1]=4 81 B4R0.2 C=CCCI BB31-6880 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.4 CC(=O)CCCBr BB31-6000 [1,1,0,0,0,0|0,0,1]=3 86 B6R0.4 COCOC(C)=O BB32-2824 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.5 CC(C)(C)CCN BB31-4614 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.5 COCC(C)(C)N BB31-4342 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.6 C#CCCCCN BB31-0286 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.6 CNCCCCCl BB31-7841 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.6 N#CCCCCN BB32-3572 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.9 CCC(C#N)CC BB32-3543 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.9 CCC(CC)NC BB31-6271 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.9 CCC(CC)NN BB31-5111 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.2 COC(=O)C(C)C(C)=O BB32-0377 [0,2,0,0,0,0|1,0,1]=4 97 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O BB31-6183 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,2,0,0,0,0|0,0,0]=2 99 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,2,0,0,0,0|1,0,0]=3 100 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [0,2,0,0,0,0|0,0,1]=3 101 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,2,0,0,0,0|0,0,2]=4 102 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [0,2,0,0,0,0|1,0,1]=4 104 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [0,2,0,0,0,0|1,0,1]=4 105 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,2,0,0,0,0|1,0,1]=4 106 B8R0.12 C=CC[C@@](C)(N)C(=O)O BB31-5407 [0,2,0,0,0,0|0,0,2]=4 107 B8R0.12 C=CC[C@](C)(N)C(=O)O BB31-5427 [0,2,0,0,0,0|0,0,2]=4 108 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [0,2,0,0,0,0|0,0,0]=2 109 B8R0.13 COC(=O)C(C)(C)C=O BB31-8066 [0,2,0,0,0,0|1,0,1]=4 110 B6R1.2 BrC1CCSC1 BB52-7755 [1,0,0,1,0,0|2,0,0]=4 111 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.2 C[C@H]1CCNC1 BB31-5082 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [1,0,0,1,0,0|2,0,0]=4 114 B6R1.2 NC1CCSC1 BB52-7752 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.2 OC1CCSC1 BB52-7751 [1,0,0,1,0,0|1,0,1]=4 116 B6R1.3 BrCCC1CC1 BB31-5305 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.3 CCNC1CC1 BB31-5032 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.3 ICCC1CC1 BB32-1715 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.3 OCC[C@@H]1CO1 BB31-6861 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.5 CN1CC(=O)C1 BB31-3564 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.5 CN1CC(N)C1 BB31-5035 [1,0,0,1,0,0|2,0,0]=4 122 B6R1.5 CN1CC(O)C1 BB31-5794 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.5 N[C@H]1C[C@H](F)C1 BB31-2535 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.5 O=C1CC(O)C1 BB31-5120 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.5 O[C@H]1C[C@H](F)C1 BB31-1536 [1,0,0,1,0,0|1,0,1]=4 126 B6R1.10 CC1(C)CCN1 BB31-8862 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.10 CC1(N)CNC1 BB31-1091 [1,0,0,1,0,0|2,0,0]=4 128 B6R1.1 C1=NCCCN1 BB31-3113 [1,0,0,1,0,0|2,0,0]=4 129 B6R1.1 C1CCONC1 BB31-4954 [1,0,0,1,0,0|1,0,1]=4 130 B6R1.6 CNC1CCC1 BB31-5108 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.6 NNC1CCC1 BB31-0660 [1,0,0,1,0,0|2,0,0]=4 132 B6R1.6 O=CC1COC1 BB31-1651 [1,0,0,1,0,0|1,0,0]=3 133 B6R1.7 CC1(CN)CC1 BB31-1478 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.1 OCC1CCN(C)C1 BB52-8882 [0,1,0,1,0,0|0,0,2]=4 135 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.4 C[C@@H]1CNC[C@H](C)C1 BB31-2797 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,1,0,1,0,0|1,0,0]=3 140 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,1,0,1,0,0|1,0,0]=3 142 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.18 CN1CC(N)CC1=O BB31-0910 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O BB32-1878 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 BB31-2767 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.2 BrCC1CCCNC1 BB32-0264 [0,1,0,1,0,0|1,0,1]=4 147 B8R1.2 C#CC1CCCNC1 BB31-7363 [0,1,0,1,0,0|1,0,1]=4 148 B8R1.2 CCC1CCCNC1 BB31-8098 [0,1,0,1,0,0|1,0,1]=4 149 B8R1.2 CNC1CCOCC1 BB31-5860 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.2 CO[C@H]1CCCNC1 BB31-5248 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.2 CSC1CCNCC1 BB31-4110 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.2 ClCC1CCNCC1 BB31-3587 [0,1,0,1,0,0|1,0,1]=4 153 B8R1.2 ICC1CCCCO1 BB32-2266 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.2 N#C[C@@H]1CCCNC1 BB31-8899 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.2 NNC1CCNCC1 BB32-1669 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.2 O=CC1CCCCO1 BB32-0336 [0,1,0,1,0,0|0,0,0]=2 157 B8R1.2 O=CC1CCNCC1 BB31-0713 [0,1,0,1,0,0|0,0,0]=2 158 B8R1.2 ONC1CCCCC1 BB31-6264 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.3 C[C@@H]1CO[C@H](C)CN1 BB31-3235 [0,1,0,1,0,0|0,0,2]=4 160 B8R1.3 C[C@H]1CC[C@@H](N)CC1 BB31-5132 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.3 C[C@H]1CN[C@H](C)CO1 BB31-3234 [0,1,0,1,0,0|0,0,2]=4 162 B8R1.5 CC1COCCC1=O BB31-0779 [0,1,0,1,0,0|0,0,0]=2 163 B8R1.5 CN1CCOCC1=O BB31-4094 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.5 C[C@@H]1CNCCN1C BB31-0645 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.5 C[C@@H]1CNCCN1C BB32-3303 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.5 C[C@H]1CNCCN1C BB32-2670 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.5 NC1CCCCC1=O BB31-7416 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.5 NC1CCCNC1=O BB52-8540 [0,1,0,1,0,0|1,0,0]=3 169 B8R1.5 O=C1CCOCC1Br BB31-5776 [0,1,0,1,0,0|1,0,0]=3 170 B8R1.5 O=C1CCOCC1F BB32-3113 [0,1,0,1,0,0|1,0,0]=3 171 B8R1.5 O=C1NCCCC1Br BB32-1567 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.22 CC1CCCCCN1 BB32-1446 [0,1,0,1,0,0|1,0,1]=4 173 B8R1.50 CN1CCC(=O)C1=O BB32-2163 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.52 N#CC1(N)CCCC1 BB31-3132 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.7 CC(N)C1CCCC1 BB32-0478 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.7 C[C@@H](N)C1CCCC1 BB31-2754 [0,1,0,1,0,0|1,0,1]=4 178 B8R1.7 N=C(N)C1CCCO1 BB32-3453 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [0,1,0,1,0,0|1,0,0]=3 180 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.19 CC1(C)CCNC1=S BB31-1760 [0,1,0,1,0,0|1,1,0]=4 184 B8R1.19 O=C1NCCC1(F)F BB31-3179 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.23 CC(=O)N1CC(N)C1 BB31-2583 [0,1,0,1,0,0|2,0,0]=4 186 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,1,0,1,0,0|1,0,0]=3 191 B8R1.78 CC(=O)C1(C)COC1 BB31-9824 [0,1,0,1,0,0|1,0,0]=3 192 B8R1.78 O=C(O)C1(O)COC1 BB31-2829 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.6 COCC1CC(=O)C1 BB31-5157 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.6 N#CCC1CC(=O)C1 BB31-3932 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.11 O=C1CCC=C1CO BB31-7246 [0,1,0,1,0,0|0,0,2]=4 196 B8R2.2 CC12CCCC1O2 BB32-0835 [0,0,0,2,0,0|0,0,2]=4 197 B8R2.42 C1CC2(C1)CNC2 BB31-2742 [0,0,0,2,0,0|1,0,1]=4