0 B5R0.2 C#CCCCBr BB31-4992 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C#CCN=C=O BB58-0507 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 C=CCCCI BB31-6966 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.2 C=CCCCN BB31-4446 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.2 CCSCCN BB31-5588 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 N#CCCCN BB32-0548 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 OCCCCI BB32-2029 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.2 C=CCCI BB31-6880 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.2 NCCON BB32-1546 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 C=CC(O)CC#N BB32-1252 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.1 CCC(O)CC#N BB31-2014 [0,1,0,0,0,0|1,0,1]=3 11 B6R0.1 CCCC(=O)CCl BB31-4027 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.1 CN(C=O)CCO BB31-3078 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.1 C[C@@H](CO)CCN BB31-5417 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.1 OCC[C@H](O)CCl BB31-2429 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.4 CC(=O)CCCBr BB31-6000 [0,1,0,0,0,0|1,0,0]=2 16 B6R0.4 CCCCC(=N)N BB31-8730 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.4 COCCC(=N)N BB31-7023 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.4 COCOC(C)=O BB32-2824 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.4 NCCNC(N)=O BB32-3910 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.6 C#CCCCCN BB31-0286 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.6 CNCCCCCl BB31-7841 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.6 N#CCCCCN BB32-3572 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.6 NCCNCCN BB31-4178 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.6 OCCNCCCl BB31-4678 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.6 OCCOCCI BB31-1660 [0,1,0,0,0,0|1,0,2]=4 27 B6R1.1 C1=NCCCN1 BB31-3113 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.1 C1CCONC1 BB31-4954 [0,0,0,1,0,0|1,0,1]=3 29 B6R1.1 C1CNCOC1 BB31-2552 [0,0,0,1,0,0|1,0,2]=4 30 B6R1.2 BrC1CCSC1 BB52-7755 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.2 C[C@H]1CCNC1 BB31-5082 [0,0,0,1,0,0|2,0,0]=3 33 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.2 NC1=NCCO1 BB32-1676 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 NC1CCSC1 BB52-7752 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 O=C1C=CCS1 BB32-1702 [0,0,0,1,0,0|1,0,2]=4 37 B6R1.2 OC1CCSC1 BB52-7751 [0,0,0,1,0,0|1,0,2]=4 38 B6R1.3 BrCCC1CC1 BB31-5305 [0,0,0,1,0,0|1,0,1]=3 39 B6R1.3 CCNC1CC1 BB31-5032 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.3 ICCC1CC1 BB32-1715 [0,0,0,1,0,0|1,0,1]=3 41 B6R1.3 NNCC1CC1 BB31-6121 [0,0,0,1,0,0|2,0,0]=3 42 B6R1.3 NNCC1CC1 BB31-9304 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.3 NOCC1CC1 BB31-6884 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.3 OCC[C@@H]1CO1 BB31-6861 [0,0,0,1,0,0|1,0,2]=4 45 B6R1.6 BrCC1COC1 BB31-2069 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.6 CNC1CCC1 BB31-5108 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.6 COC1CNC1 BB51-2847 [0,0,0,1,0,0|3,0,0]=4 48 B6R1.6 CSC1CNC1 BB31-2729 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.6 N#CC1COC1 BB31-5311 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.6 NNC1CCC1 BB31-0660 [0,0,0,1,0,0|2,0,0]=3 51 B6R1.6 O=CC1COC1 BB31-1651 [0,0,0,1,0,0|1,0,0]=2 52 B6R1.6 OC[C@@H]1CCN1 BB31-7982 [0,0,0,1,0,0|1,0,2]=4 53 B6R1.6 OC[C@H]1CCN1 BB31-4144 [0,0,0,1,0,0|1,0,2]=4 54 B5R0.1 CC(=O)CCBr BB31-4479 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.1 CC(O)CCBr BB32-3029 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.1 CNCC(F)F BB31-9778 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.1 COCC(C)Br BB31-8127 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.1 COCC(N)=O BB31-3207 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.1 C[C@H](N)CC#N BB31-5263 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.1 O=C(O)CCF BB32-2513 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.3 C=C[C@H](N)CO BB32-0951 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.3 CC(CO)CBr BB31-7772 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.3 CCC(=O)CN BB31-8248 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.3 CO[C@@H](C)CO BB31-0453 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.3 NCC(Br)CBr BB31-7157 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.3 NCC(O)CCl BB31-4889 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.3 O=C[C@H](O)CO BB31-6122 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.2 CC(C)CC(N)C#N BB31-5651 [0,2,0,0,0,0|1,0,1]=4 69 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,2,0,0,0,0|0,0,0]=2 70 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,2,0,0,0,0|0,0,0]=2 71 B7R0.5 CC(C)C(C)CCO BB31-7531 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.5 CC(C)C(N)CCO BB31-5763 [0,2,0,0,0,0|0,0,2]=4 73 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.4 COCCNC(N)=S BB31-0310 [0,2,0,0,0,0|1,1,0]=4 76 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,2,0,0,0,0|0,0,1]=3 77 B7R0.4 NC(=O)CCCCO BB31-4574 [0,2,0,0,0,0|0,0,0]=2 78 B7R0.4 O=C([O-])COCCO BB31-2744 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.4 OB(O)CCCCBr BB31-5383 [0,2,0,0,0,0|1,0,1]=4 80 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,2,0,0,0,0|1,0,0]=3 81 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,2,0,0,0,0|0,0,0]=2 84 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,2,0,0,0,0|0,0,0]=2 85 B7R0.8 CS(=O)(=O)CCCCl BB32-2712 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.8 CS(=O)(=O)CCCN BB31-3020 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.8 NCCCS(N)(=O)=O BB31-5319 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.1 C#CCCCCC#N BB31-6051 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.1 CCCNCCOC BB31-6246 [0,2,0,0,0,0|0,0,2]=4 90 B7R0.1 N#CCCCCCN BB31-4731 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.1 N#CCCNCCO BB31-8013 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.1 O=CNCCNC=O BB31-6256 [0,2,0,0,0,0|1,0,1]=4 93 B5R1.1 C1CNNC1 BB31-6290 [1,0,0,1,0,0|2,0,0]=4 94 B5R1.1 C1CNOC1 BB31-7828 [1,0,0,1,0,0|1,0,1]=4 95 B5R1.2 BrC1CNC1 BB31-5774 [1,0,0,1,0,0|2,0,0]=4 96 B5R1.2 CC1CCN1 BB31-0642 [1,0,0,1,0,0|1,0,0]=3 97 B5R1.2 ClC1CNC1 BB31-7993 [1,0,0,1,0,0|2,0,0]=4 98 B5R1.2 NC1CSC1 BB31-1853 [1,0,0,1,0,0|2,0,0]=4 99 B5R1.2 SC1CNC1 BB31-3722 [1,0,0,1,0,0|1,1,0]=4 100 B5R1.4 N[C@@H]1C[C@@H]1F BB31-2658 [1,0,0,1,0,0|2,0,0]=4 101 B5R1.4 N[C@@H]1C[C@H]1N BB32-1814 [1,0,0,1,0,0|2,0,0]=4 102 B5R1.4 N[C@H]1C[C@H]1N BB32-3586 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.1 BrCC1=CCCC1 BB32-3867 [0,1,0,1,0,0|1,0,1]=4 104 B7R1.1 C#CC1CCCN1 BB31-1749 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.1 CO[C@@H]1CCNC1 BB31-1407 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.1 CO[C@H]1CCNC1 BB31-1406 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.1 N#C[C@@H]1CCCN1 BB31-4661 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.1 N#C[C@H]1CCCN1 BB31-7033 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.1 N#C[C@H]1CCNC1 BB31-0628 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.1 OCC1CCNC1 BB52-8382 [0,1,0,1,0,0|0,0,2]=4 117 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [0,1,0,1,0,0|0,0,2]=4 118 B7R1.2 CN1CC[C@@H](N)C1 BB31-5227 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,1,0,1,0,0|0,0,0]=2 120 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,1,0,1,0,0|0,0,0]=2 121 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,1,0,1,0,0|0,0,2]=4 122 B7R1.2 NC1CCC(O)C1 BB31-2061 [0,1,0,1,0,0|0,0,2]=4 123 B7R1.2 N[C@@H]1CC[C@@H](N)C1 BB32-0743 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [0,1,0,1,0,0|0,0,2]=4 125 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [0,1,0,1,0,0|0,0,2]=4 126 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [0,1,0,1,0,0|0,0,2]=4 127 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,1,0,1,0,0|0,0,0]=2 130 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.2 O[C@@H]1C=C[C@H](O)C1 BB31-6115 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.3 CC1=CCNCC1 BB31-4858 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.3 CN1CC=CCC1 BB31-7198 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [0,1,0,1,0,0|0,0,2]=4 136 B7R1.3 IC1CCNCC1 BB32-0018 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.3 NC1=NCCCN1 BB32-1452 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,1,0,1,0,0|0,0,2]=4 139 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,1,0,1,0,0|0,0,2]=4 140 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,1,0,1,0,0|0,0,2]=4 141 B7R1.3 O=C1CNCCO1 BB32-2655 [0,1,0,1,0,0|1,0,0]=3 142 B7R1.3 O=S1CCNCC1 BB32-3985 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.3 OC1CC=CCC1 BB31-4823 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,1,0,1,0,0|0,0,2]=4 145 B7R1.3 S=C1CCCCN1 BB31-1665 [0,1,0,1,0,0|0,1,0]=3 146 B7R1.3 SC1CCCNC1 BB31-1279 [0,1,0,1,0,0|0,1,1]=4 147 B7R1.4 Br[C@@H]1CCC[C@H]1Br BB31-0304 [0,1,0,1,0,0|1,0,1]=4 148 B7R1.4 NC1CCNC1=O BB31-0754 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.4 NC1CCOC1=O BB52-6516 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.4 N[C@H]1CCC[C@H]1N BB31-4642 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.6 C=CCC1CNC1 BB31-3197 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.6 CCNC1COC1 BB32-0308 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.6 CCOC1CNC1 BB32-2240 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.6 CNCC1COC1 BB31-2533 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.6 COCC1CNC1 BB31-0895 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.6 OCCC1COC1 BB31-4347 [0,1,0,1,0,0|0,0,2]=4 157 B7R1.6 OCCN1CCC1 BB31-7265 [0,1,0,1,0,0|0,0,2]=4 158 B7R1.9 OC[C@H]1C[C@H]1CO BB31-4235 [0,1,0,1,0,0|0,0,2]=4 159 B7R1.10 CNC1CC(O)C1 BB32-0317 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.10 CN[C@H]1C[C@@H](O)C1 BB31-2520 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.10 CN[C@H]1C[C@H](O)C1 BB31-2532 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.10 COC1CC(=O)C1 BB31-4629 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.10 CO[C@H]1C[C@H](N)C1 BB31-2519 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.10 N#C[C@H]1C[C@@H](N)C1 BB31-3230 [0,1,0,1,0,0|1,0,1]=4 165 B7R1.10 N#C[C@H]1C[C@@H](O)C1 BB31-8519 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.10 N#C[C@H]1C[C@H](O)C1 BB31-6405 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.10 NCC1CC(=O)C1 BB31-2692 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.10 NCC1CC(O)C1 BB58-2198 [0,1,0,1,0,0|1,0,1]=4 169 B7R1.10 NC[C@H]1C[C@@H](O)C1 BB31-2482 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.10 N[C@H]1C[C@@H](CO)C1 BB31-9750 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [0,1,0,1,0,0|1,0,0]=3 172 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [0,1,0,1,0,0|1,0,0]=3 173 B7R1.22 CCC(N)C1CC1 BB31-5288 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.22 CCC(O)C1CC1 BB32-0693 [0,1,0,1,0,0|1,0,1]=4 175 B7R1.25 C#CC1(O)CCC1 BB31-7560 [0,1,0,1,0,0|1,0,1]=4 176 B7R1.25 C=CC1(O)COC1 BB31-8834 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.25 CCC1(N)COC1 BB31-2107 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.25 NC1(CO)CCC1 BB31-3490 [0,1,0,1,0,0|0,0,2]=4 179 B7R1.25 NCC1(O)CCC1 BB31-3491 [0,1,0,1,0,0|1,0,1]=4 180 B7R1.7 OCCNC1CC1 BB32-1964 [0,1,0,1,0,0|0,0,2]=4 181 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,1,0,1,0,0|0,0,0]=2 182 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,1,0,1,0,0|0,0,0]=2 183 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,1,0,1,0,0|1,0,0]=3 184 B7R1.14 CC1(C)CCCN1 BB52-8585 [0,1,0,1,0,0|1,0,1]=4 185 B7R1.14 CC1(C)CCNC1 BB31-5023 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.18 CC(=O)N1CCC1 BB32-2755 [0,1,0,1,0,0|1,0,0]=3 187 B7R1.18 CC(N)C1CCC1 BB31-5264 [0,1,0,1,0,0|1,0,1]=4 188 B7R1.18 CC(O)C1CNC1 BB31-4088 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.18 N=C(N)C1CCC1 BB31-6957 [0,1,0,1,0,0|1,0,0]=3 190 B7R1.18 NC(=O)C1CNC1 BB31-1092 [0,1,0,1,0,0|1,0,0]=3 191 B7R1.18 NC(=S)C1CCC1 BB31-2990 [0,1,0,1,0,0|0,1,0]=3 192 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,1,0,1,0,0|0,0,2]=4 193 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,1,0,1,0,0|1,0,0]=3 194 B7R2.11 C1NC2CC1C2 BB31-5093 [0,0,0,2,0,0|1,0,1]=4