0 B5R0.1 CC(=O)CCBr BB31-4479 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.1 CC(O)CCBr BB32-3029 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CNCC(F)F BB31-9778 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 COCC(C)Br BB31-8127 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 COCC(N)=O BB31-3207 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 C[C@H](N)CC#N BB31-5263 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 O=C(O)CCF BB32-2513 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 O=C(O)\C=C\Br BB31-5400 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.2 C=CCCI BB31-6880 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.2 NCCON BB32-1546 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 C#CCC(=O)OC BB32-1580 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.1 CCCC(=O)CCl BB31-4027 [0,1,0,0,0,0|1,0,0]=2 12 B6R0.1 CN(C=O)CCO BB31-3078 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.1 NNC(=O)CCO BB31-4269 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.3 CC(C#N)C(=O)O BB32-3033 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.4 CC(=O)CCCBr BB31-6000 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.4 CCCCC(=N)N BB31-8730 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.4 COCCC(=N)N BB31-7023 [0,1,0,0,0,0|1,0,0]=2 23 B6R0.4 COCOC(C)=O BB32-2824 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.4 NCCNC(N)=O BB32-3910 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.5 COCC(C)(C)N BB31-4342 [0,1,0,0,0,0|2,0,1]=4 27 B6R1.2 NC1=NCCO1 BB32-1676 [0,0,0,1,0,0|1,0,1]=3 28 B6R1.2 NC1CCSC1 BB52-7752 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 O=C1C=CCS1 BB32-1702 [0,0,0,1,0,0|1,0,2]=4 30 B6R1.2 O=C1C=CON1 BB32-3109 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.5 CN1CC(=O)C1 BB31-3564 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.5 CN1CC(N)C1 BB31-5035 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.5 N[C@H]1C[C@H](F)C1 BB31-2535 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.5 O=C1CC(O)C1 BB31-5120 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.10 CC1(N)CNC1 BB31-1091 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.11 O=C(O)C1CO1 BB31-6282 [0,0,0,1,0,0|2,0,0]=3 37 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [0,0,0,1,0,0|2,0,0]=3 38 B5R0.3 CCC(=O)CN BB31-8248 [1,1,0,0,0,0|0,0,0]=2 39 B5R0.5 CC(=O)C(N)=O BB32-3571 [1,1,0,0,0,0|0,0,1]=3 40 B5R0.2 C#CCCCBr BB31-4992 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.2 C=CCCCI BB31-6966 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.2 C=CCCCN BB31-4446 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.2 CCSCCN BB31-5588 [1,1,0,0,0,0|0,0,1]=3 44 B5R0.2 N#CCCCN BB32-0548 [1,1,0,0,0,0|0,0,2]=4 45 B5R0.2 OCCCCI BB32-2029 [1,1,0,0,0,0|0,0,2]=4 46 B7R0.2 CC(C)CC(N)C#N BB31-5651 [0,2,0,0,0,0|1,0,1]=4 47 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,2,0,0,0,0|1,0,0]=3 48 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,2,0,0,0,0|0,0,0]=2 50 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,2,0,0,0,0|1,0,0]=3 51 B7R0.7 CCOC(=O)\C=C\I BB32-1414 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.10 COC(=O)C(C)CN BB31-6417 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.10 COC(=O)[C@@H](C)CBr BB31-6195 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.13 CC(=O)C(C)(C)CO BB32-0806 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.13 CC(C)(CN)C(=O)O BB31-3976 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.13 CC(C)(CN)C(=O)O BB31-5761 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.13 C[C@@](N)(CO)C(=O)O BB31-6838 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.13 NCC(F)(F)C(=O)O BB31-0714 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.13 NCC(F)(F)C(=O)O BB32-1782 [0,2,0,0,0,0|2,0,0]=4 61 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.15 NC[C@H](CO)C(=O)O BB31-2226 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.4 COCCNC(N)=S BB31-0310 [0,2,0,0,0,0|0,1,0]=3 64 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,2,0,0,0,0|1,0,0]=3 65 B7R0.4 NC(=O)CCCCO BB31-4574 [0,2,0,0,0,0|0,0,0]=2 66 B7R0.4 O=C([O-])COCCO BB31-2744 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,2,0,0,0,0|1,0,0]=3 72 B7R0.8 CS(=O)(=O)CCCCl BB32-2712 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.8 CS(=O)(=O)CCCN BB31-3020 [0,2,0,0,0,0|2,0,0]=4 74 B7R0.8 NCCCS(N)(=O)=O BB31-5319 [0,2,0,0,0,0|1,0,0]=3 75 B5R1.2 CC1CCN1 BB31-0642 [1,0,0,1,0,0|1,0,1]=4 76 B5R1.1 C1CNNC1 BB31-6290 [1,0,0,1,0,0|1,0,0]=3 77 B5R1.1 C1CNOC1 BB31-7828 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.1 BrCC1=CCCC1 BB32-3867 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.1 C#CC1CCCN1 BB31-1749 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.1 N#C[C@@H]1CCCN1 BB31-4661 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.1 N#C[C@H]1CCCN1 BB31-7033 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.2 CN1CC[C@@H](N)C1 BB31-5227 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,1,0,1,0,0|0,0,0]=2 86 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,1,0,1,0,0|0,0,0]=2 87 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.2 NC1CCC(O)C1 BB31-2061 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.2 N[C@@H]1CC[C@@H](N)C1 BB32-0743 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,1,0,1,0,0|0,0,0]=2 94 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,1,0,1,0,0|0,0,1]=3 97 B7R1.2 O=C1CSC(=S)N1 BB52-8577 [0,1,0,1,0,0|1,0,1]=4 98 B7R1.3 CC1=CCNCC1 BB31-4858 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.3 NC1=NCCCN1 BB32-1452 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,1,0,1,0,0|0,0,2]=4 102 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,1,0,1,0,0|0,0,2]=4 103 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,1,0,1,0,0|0,0,1]=3 104 B7R1.3 O=C1CNCCO1 BB32-2655 [0,1,0,1,0,0|1,0,0]=3 105 B7R1.3 O=S1CCNCC1 BB32-3985 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.3 S=C1CCCCN1 BB31-1665 [0,1,0,1,0,0|0,1,0]=3 107 B7R1.3 SC1CCCNC1 BB31-1279 [0,1,0,1,0,0|0,1,1]=4 108 B7R1.4 NC1CCNC1=O BB31-0754 [0,1,0,1,0,0|0,0,0]=2 109 B7R1.4 NC1CCOC1=O BB52-6516 [0,1,0,1,0,0|1,0,0]=3 110 B7R1.4 N[C@H]1CCC[C@H]1N BB31-4642 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.10 COC1CC(=O)C1 BB31-4629 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.10 CO[C@H]1C[C@H](N)C1 BB31-2519 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.10 NCC1CC(=O)C1 BB31-2692 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.10 N[C@H]1C[C@@H](CO)C1 BB31-9750 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.22 CCC(N)C1CC1 BB31-5288 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.25 NC1(CO)CCC1 BB31-3490 [0,1,0,1,0,0|0,0,2]=4 119 B7R1.25 NCC1(O)CCC1 BB31-3491 [0,1,0,1,0,0|0,0,2]=4 120 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [0,1,0,1,0,0|0,0,0]=2 124 B7R1.16 C[C@]1(N)C[C@H](O)C1 BB31-2494 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.16 O=C1CC(F)(F)C1 BB31-1782 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.16 O=S1(=O)CC(O)C1 BB31-7627 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.18 CC(=O)N1CCC1 BB32-2755 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.18 CC(N)C1CCC1 BB31-5264 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.18 N=C(N)C1CCC1 BB31-6957 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.18 NC(=O)C1CNC1 BB31-1092 [0,1,0,1,0,0|0,0,0]=2 131 B7R1.18 NC(=S)C1CCC1 BB31-2990 [0,1,0,1,0,0|0,1,0]=3 132 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.19 CC1(C(N)=O)CC1 BB31-3052 [0,1,0,1,0,0|0,0,0]=2 135 B7R1.19 O=C(O)C1(Br)CC1 BB31-8489 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.14 CC1(C)CCCN1 BB52-8585 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.14 O=S1(=O)NCCN1 BB31-5480 [0,1,0,1,0,0|2,0,0]=4 138 B7R2.11 C1NC2CC1C2 BB31-5093 [0,0,0,2,0,0|1,0,1]=4