0 B6R0.4 CC(=O)CCCBr BB31-6000 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.4 CCCCC(=N)N BB31-8730 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 COCCC(=N)N BB31-7023 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.4 COCOC(C)=O BB32-2824 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 NCCNC(N)=O BB32-3910 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(=O)CCBr BB31-4479 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CC(O)CCBr BB32-3029 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 COCC(N)=O BB31-3207 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 O=C(O)CCF BB32-2513 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.1 O=C(O)\C=C\Br BB31-5400 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.2 C#CCCCBr BB31-4992 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C=CCCCI BB31-6966 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.2 C=CCCCN BB31-4446 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.2 CCSCCN BB31-5588 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 N#CCCCN BB32-0548 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.2 OCCCCI BB32-2029 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,1,0,0,0,0|1,0,0]=2 19 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,1,0,0,0,0|0,0,1]=2 20 B7R0.4 NC(=O)CCCCO BB31-4574 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.4 O=C([O-])COCCO BB31-2744 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.4 OB(O)CCCCBr BB31-5383 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,1,0,0,0,0|0,0,0]=1 25 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,1,0,0,0,0|0,0,0]=1 28 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.8 CS(=O)(=O)CCCCl BB32-2712 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.8 CS(=O)(=O)CCCN BB31-3020 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.8 CS(=O)(=O)NCCN BB31-3759 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.8 NCCCS(N)(=O)=O BB31-5319 [0,1,0,0,0,0|1,0,1]=3 33 B7R1.2 CN1CC[C@@H](N)C1 BB31-5227 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,0,0,1,0,0|1,0,1]=3 37 B7R1.2 NC1CCC(O)C1 BB31-2061 [0,0,0,1,0,0|1,0,1]=3 38 B7R1.2 N[C@@H]1CC[C@@H](N)C1 BB32-0743 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [0,0,0,1,0,0|1,0,1]=3 40 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [0,0,0,1,0,0|1,0,1]=3 41 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [0,0,0,1,0,0|1,0,1]=3 42 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.3 O=C1CNCCO1 BB32-2655 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.3 S=C1CCCCN1 BB31-1665 [0,0,0,1,0,0|2,1,0]=4 51 B7R1.3 SC1CCCNC1 BB31-1279 [0,0,0,1,0,0|1,1,1]=4 52 B7R1.10 CN1CC(CN)C1 BB32-0572 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.10 COC1CC(=O)C1 BB31-4629 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.10 NCC1CC(=O)C1 BB31-2692 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.10 NCC1CC(O)C1 BB58-2198 [0,0,0,1,0,0|1,0,1]=3 56 B7R1.10 NC[C@H]1C[C@@H](O)C1 BB31-2482 [0,0,0,1,0,0|1,0,1]=3 57 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,1,0,0|1,0,0]=2 60 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,1,0,0|1,0,0]=2 61 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,1,0,0|1,0,0]=2 62 B7R1.14 CC1(C)CCCN1 BB52-8585 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.14 O=S1(=O)NCCN1 BB31-5480 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.18 CC(=O)N1CCC1 BB32-2755 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.18 N=C(N)C1CCC1 BB31-6957 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.18 NC(=O)C1CNC1 BB31-1092 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.18 NC(=S)C1CCC1 BB31-2990 [0,0,0,1,0,0|2,1,0]=4 68 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,0,0,1,0,0|1,0,1]=3 69 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,0,0,1,0,0|2,0,0]=3 70 B4R0.2 C=CCCI BB31-6880 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.2 NCCON BB32-1546 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.1 C#CCC(=O)OC BB32-1580 [1,1,0,0,0,0|0,0,2]=4 73 B6R0.1 CCCC(=O)CCl BB31-4027 [1,1,0,0,0,0|1,0,0]=3 74 B6R0.1 C[C@@H](CO)CCN BB31-5417 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.1 NNC(=O)CCO BB31-4269 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [1,1,0,0,0,0|0,0,2]=4 78 B6R0.3 CC(C#N)C(=O)O BB32-3033 [1,1,0,0,0,0|0,0,2]=4 79 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [1,1,0,0,0,0|0,0,0]=2 80 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [1,1,0,0,0,0|0,0,0]=2 81 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [1,1,0,0,0,0|0,0,0]=2 82 B6R0.6 C#CCCCCN BB31-0286 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.6 CNCCCCCl BB31-7841 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.6 N#CCCCCN BB32-3572 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.6 NCCNCCN BB31-4178 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.6 OCCNCCCl BB31-4678 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.6 OCCOCCI BB31-1660 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O BB31-6183 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,2,0,0,0,0|1,0,0]=3 91 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [0,2,0,0,0,0|1,0,0]=3 94 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [0,2,0,0,0,0|1,0,0]=3 95 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,2,0,0,0,0|1,0,1]=4 96 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [0,2,0,0,0,0|1,0,1]=4 97 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,2,0,0,0,0|1,0,0]=3 98 B8R0.1 C#CCCC(=O)CCO BB31-2828 [0,2,0,0,0,0|1,0,1]=4 99 B8R0.6 CCCCOC(=O)CN BB31-9514 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.6 CCNCCC(=O)OC BB31-6215 [0,2,0,0,0,0|1,0,0]=3 101 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [0,2,0,0,0,0|1,0,0]=3 102 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.8 CCCCC(=O)[C@H](C)N BB31-2998 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,2,0,0,0,0|2,0,0]=4 105 B8R0.7 C#CCOCCC(=O)O BB32-2922 [0,2,0,0,0,0|1,0,0]=3 106 B8R0.28 NC(=O)CCCC(N)=O BB31-6283 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [0,2,0,0,0,0|0,0,1]=3 108 B8R0.12 C=CC[C@@](C)(N)C(=O)O BB31-5407 [0,2,0,0,0,0|1,0,1]=4 109 B8R0.12 C=CC[C@](C)(N)C(=O)O BB31-5427 [0,2,0,0,0,0|1,0,1]=4 110 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [0,2,0,0,0,0|1,0,0]=3 111 B6R1.2 NC1=NCCO1 BB32-1676 [1,0,0,1,0,0|2,0,0]=4 112 B6R1.5 CN1CC(=O)C1 BB31-3564 [1,0,0,1,0,0|2,0,0]=4 113 B6R1.5 O=C1CC(O)C1 BB31-5120 [1,0,0,1,0,0|2,0,0]=4 114 B6R1.11 O=C(O)C1CO1 BB31-6282 [1,0,0,1,0,0|1,0,0]=3 115 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [1,0,0,1,0,0|1,0,1]=4 116 B6R1.1 C1=NCCCN1 BB31-3113 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.1 C1CCONC1 BB31-4954 [1,0,0,1,0,0|0,0,1]=3 118 B6R1.1 C1CNCOC1 BB31-2552 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.6 O=CC1COC1 BB31-1651 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.6 OC[C@@H]1CCN1 BB31-7982 [1,0,0,1,0,0|0,0,1]=3 121 B6R1.6 OC[C@H]1CCN1 BB31-4144 [1,0,0,1,0,0|0,0,1]=3 122 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.1 NCC1CNC(=O)O1 BB31-3233 [0,1,0,1,0,0|0,0,0]=2 126 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.4 N[C@H]1CCC[C@H](O)C1 BB31-1055 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.18 CN1CC(N)CC1=O BB31-0910 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,1,0,1,0,0|0,0,0]=2 139 B8R1.34 CC(=O)NC1CNC1 BB31-0276 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.34 O=C(O)CC1COC1 BB31-1686 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.40 COC(=O)CC1CC1 BB32-1998 [0,1,0,1,0,0|1,0,0]=3 142 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O BB32-1878 [0,1,0,1,0,0|0,0,1]=3 143 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.51 NC1CCS(=O)(=O)C1 BB52-8538 [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 CO[C@H]1CCCNC1 BB31-5248 [0,1,0,1,0,0|1,0,1]=4 147 B8R1.2 O=CC1CCCCO1 BB32-0336 [0,1,0,1,0,0|1,0,1]=4 148 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.5 NC1CCCCC1=O BB31-7416 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.5 NC1CCCNC1=O BB52-8540 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.5 O=C1NCCCC1Br BB32-1567 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.5 O[C@H]1CNCC[C@H]1O BB32-2494 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.22 OC1CCCNCC1 BB31-0709 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.38 COC(=O)C1COC1 BB31-3226 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.38 O=C(CBr)C1CCC1 BB31-1832 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.6 COCC1CC(=O)C1 BB31-5157 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.6 N#CCC1CC(=O)C1 BB31-3932 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [0,1,0,1,0,0|1,0,0]=3 169 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [0,1,0,1,0,0|0,0,1]=3 170 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [0,1,0,1,0,0|0,0,1]=3 171 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [0,1,0,1,0,0|0,0,0]=2 172 B8R1.23 CC(=O)N1CC(N)C1 BB31-2583 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,1,0,1,0,0|0,0,0]=2 174 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,1,0,1,0,0|0,0,0]=2 175 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.78 O=C(O)C1(O)COC1 BB31-2829 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.77 O=C(O)[C@@H]1CC1(F)F BB31-4050 [0,1,0,1,0,0|1,0,0]=3 180 B8R1.77 O=C(O)[C@H]1CC1(F)F BB31-3198 [0,1,0,1,0,0|1,0,0]=3 181 B8R2.53 O=C1CC2(CC2)C1 BB31-3929 [0,0,0,2,0,0|2,0,0]=4