0 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.1 CCC1=NN=C(N)O1 BB52-8915 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.1 N#CC1CNC(=O)C1 BB31-6774 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.1 NCC1CNC(=O)O1 BB31-3233 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 OCC1CCN(C)C1 BB52-8882 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [1,0,0,0,0,0|1,0,1]=3 11 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.1 CO[C@@H]1CCNC1 BB31-1407 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.1 CO[C@H]1CCNC1 BB31-1406 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 OCC1CCNC1 BB52-8382 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [1,0,0,0,0,0|1,0,0]=2 22 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [1,0,0,0,0,0|1,0,2]=4 25 B7R1.2 O=C1CC(O)CO1 BB31-5337 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 O=C1CCC(O)C1 BB31-4994 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.7 CCCC1COC(=O)O1 BB31-8496 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.7 CN1CCC(CCO)C1 BB32-2050 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.21 OC[C@@H]1CC[C@H](CO)O1 BB31-8184 [0,1,0,0,0,0|1,0,2]=4 30 B9R1.22 CCC1NC(=O)NC1=O BB31-6009 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.35 CC(=O)N1CCC(=O)C1 BB32-2049 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.35 CC(C)C1=NNC(=O)O1 BB31-8249 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 BB31-2463 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.132 CN1C(=O)CCC1CO BB31-5269 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.132 COC1=C(Br)C(=O)CC1 BB31-2743 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.133 CNC1CCS(=O)(=O)C1 BB32-2260 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,0,1,0,0,0|3,0,0]=4 38 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,0,1,0,0,0|3,0,0]=4 39 B7R0.3 C=C(CCl)OCOC BB31-5584 [0,0,1,0,0,0|3,0,0]=4 40 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,0,1,0,0,0|1,0,1]=3 41 B7R0.4 NC(=O)CCCCO BB31-4574 [0,0,1,0,0,0|2,0,0]=3 42 B7R0.4 O=C([O-])COCCO BB31-2744 [0,0,1,0,0,0|2,0,1]=4 43 B7R0.4 OB(O)CCCCBr BB31-5383 [0,0,1,0,0,0|2,0,1]=4 44 B9R2.39 O=C1NC2CCC1C2 BB31-4286 [0,0,0,1,0,0|1,0,0]=2 45 B9R2.68 C1CC2CCC(C1)N2 BB31-4852 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.10 COC1CC(=O)C1 BB31-4629 [0,0,0,0,1,0|2,0,0]=3 47 B7R1.10 NCC1CC(=O)C1 BB31-2692 [0,0,0,0,1,0|2,0,0]=3 48 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [0,0,0,0,1,0|2,0,0]=3 49 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [0,0,0,0,1,0|2,0,0]=3 50 B9R1.1 CON1CCC(=O)CC1 BB31-8752 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.1 NCC1CCC(=O)NC1 BB32-1698 [0,0,0,0,0,1|2,0,0]=3 52 B9R1.1 O=C1CCC(CBr)CC1 BB31-3860 [0,0,0,0,0,1|2,0,0]=3 53 B9R1.1 O=C1CO[C@H](CO)CN1 BB31-8603 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.1 O=CC1CCC(=O)CC1 BB31-5251 [0,0,0,0,0,1|2,0,1]=4 55 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [0,0,0,0,0,1|1,0,0]=2 56 B9R1.2 COC1=CC(=O)CCC1 BB31-3355 [0,0,0,0,0,1|2,0,1]=4 57 B9R1.2 NCC1CCNC(=O)C1 BB32-0239 [0,0,0,0,0,1|2,0,0]=3 58 B9R1.2 O=C1CC(CO)CCN1 BB32-2912 [0,0,0,0,0,1|2,0,0]=3 59 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [0,0,0,0,0,1|2,0,0]=3 60 B9R1.2 O=C1COCC(CO)N1 BB31-9072 [0,0,0,0,0,1|2,0,0]=3 61 B6R0.1 CCC(O)CC#N BB31-2014 [1,0,1,0,0,0|1,0,1]=4 62 B6R0.1 CCCC(=O)CCl BB31-4027 [1,0,1,0,0,0|1,0,0]=3 63 B6R0.1 OCC[C@H](O)CCl BB31-2429 [1,0,1,0,0,0|1,0,1]=4 64 B6R0.4 CC(=O)CCCBr BB31-6000 [1,0,1,0,0,0|2,0,0]=4 65 B6R0.4 CCCCC(=N)N BB31-8730 [1,0,1,0,0,0|2,0,0]=4 66 B6R0.4 COCOC(C)=O BB32-2824 [1,0,1,0,0,0|1,0,0]=3 67 B6R0.9 CCC(C#N)CC BB32-3543 [1,0,1,0,0,0|1,0,1]=4 68 B6R0.9 CCC(CC)NC BB31-6271 [1,0,1,0,0,0|1,0,1]=4 69 B6R0.9 CCC(CC)NN BB31-5111 [1,0,1,0,0,0|2,0,0]=4 70 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [2,0,0,0,0,0|2,0,0]=4 71 B6R1.2 C[C@H]1CCNC1 BB31-5082 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 NC1=NCCO1 BB32-1676 [2,0,0,0,0,0|2,0,0]=4 73 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,1,1,0,0,0|1,0,0]=3 74 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [0,1,1,0,0,0|2,0,0]=4 75 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [0,1,1,0,0,0|2,0,0]=4 76 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [0,1,1,0,0,0|2,0,0]=4 77 B8R0.6 CCCCOC(=O)CN BB31-9514 [0,1,1,0,0,0|1,0,0]=3 78 B8R0.6 CCNCCC(=O)OC BB31-6215 [0,1,1,0,0,0|2,0,0]=4 79 B8R0.8 CCCCC(=O)[C@H](C)N BB31-2998 [0,1,1,0,0,0|1,0,0]=3 80 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [0,1,1,0,0,0|1,0,0]=3 81 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,1,1,0,0,0|1,0,0]=3 82 B8R0.7 C#CCOCCC(=O)O BB32-2922 [0,1,1,0,0,0|0,0,2]=4 83 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [0,1,1,0,0,0|2,0,0]=4 84 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [1,1,0,0,0,0|0,0,2]=4 85 B8R1.7 CC(N)C1CCCC1 BB32-0478 [1,1,0,0,0,0|1,0,1]=4 86 B8R1.7 C[C@@H](N)C1CCCC1 BB31-2754 [1,1,0,0,0,0|1,0,1]=4 87 B8R1.8 CCNC1CCOC1 BB31-1875 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.8 NCCC1OCCO1 BB31-5553 [1,1,0,0,0,0|1,0,1]=4 89 B8R1.8 OCCC1CCNC1 BB32-3680 [1,1,0,0,0,0|2,0,0]=4 90 B8R1.11 OC[C@H]1OCC[C@@H]1O BB31-7357 [1,1,0,0,0,0|1,0,1]=4 91 B8R1.50 CN1CCC(=O)C1=O BB32-2163 [1,1,0,0,0,0|2,0,0]=4 92 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [1,1,0,0,0,0|0,0,0]=2 93 B8R1.51 CC1(C)COC(=O)C1 BB31-2397 [1,1,0,0,0,0|2,0,0]=4 94 B8R1.6 COCC1CC(=O)C1 BB31-5157 [0,1,0,0,1,0|1,0,0]=3 95 B8R1.6 N#CCC1CC(=O)C1 BB31-3932 [0,1,0,0,1,0|1,0,1]=4 96 B10R1.113 CC(C)[C@H]1COCC(=O)N1 BB31-1812 [0,1,0,0,0,1|1,0,0]=3 97 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 BB31-1920 [0,2,0,0,0,0|1,0,1]=4 98 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 BB31-8179 [0,2,0,0,0,0|0,0,1]=3 99 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 BB31-1919 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.54 CC(C)C[C@H]1COC(=O)N1 BB32-0436 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.54 O=C(O)CC1CCC(=O)C1 BB31-7997 [0,2,0,0,0,0|1,0,1]=4 102 B10R1.54 O=C(O)CC1CCC(=O)O1 BB54-4135 [0,2,0,0,0,0|0,0,1]=3 103 B10R1.95 O=S1(=O)OCC(CCCl)O1 BB31-9558 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.36 O=C1N[C@H](CO)CC1(F)F BB32-1030 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 BB31-8048 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 BB32-0043 [0,2,0,0,0,0|2,0,0]=4 107 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,0,1,1,0,0|2,0,0]=4 108 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,0,1,1,0,0|1,0,0]=3 109 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,0,1,1,0,0|2,0,0]=4 112 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,0,1,1,0,0|2,0,0]=4 113 B8R1.34 CC(=O)NC1CNC1 BB31-0276 [0,0,1,1,0,0|2,0,0]=4 114 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,0,1,1,0,0|2,0,0]=4 115 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,0,1,1,0,0|2,0,0]=4 116 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,0,1,1,0,0|2,0,0]=4 117 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,0,1,1,0,0|1,0,0]=3 118 B8R1.3 O[C@H]1CC[C@@H](O)CC1 BB31-4868 [0,0,1,1,0,0|0,0,2]=4 119 B8R1.5 CC1COCCC1=O BB31-0779 [0,0,1,1,0,0|2,0,0]=4 120 B8R1.5 NC1CCCCC1=O BB31-7416 [0,0,1,1,0,0|2,0,0]=4 121 B8R1.5 NC1CCCNC1=O BB52-8540 [0,0,1,1,0,0|2,0,0]=4 122 B8R1.5 O=C1NCCCC1Br BB32-1567 [0,0,1,1,0,0|2,0,0]=4 123 B8R1.22 NC1=NCCCCC1 BB52-7687 [0,0,1,1,0,0|2,0,0]=4 124 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,0,1,1,0,0|2,0,0]=4 125 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,0,1,1,0,0|2,0,0]=4 126 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,0,1,1,0,0|2,0,0]=4 127 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,0,1,1,0,0|2,0,0]=4 128 B8R1.22 OC1CCCNCC1 BB31-0709 [0,0,1,1,0,0|1,0,1]=4 129 B8R1.38 O=C(CBr)C1CCC1 BB31-1832 [0,0,1,1,0,0|2,0,0]=4 130 B8R1.38 O=C(CBr)N1CCC1 BB31-6413 [0,0,1,1,0,0|2,0,0]=4 131 B8R2.55 C1CC2(CC2)CN1 BB31-4938 [1,0,0,1,0,0|2,0,0]=4 132 B8R2.53 O=C1CC2(CC2)C1 BB31-3929 [0,0,0,1,1,0|1,0,0]=3 133 B10R2.178 O=C1CCC2CCC1N2 BB31-3938 [0,0,0,1,0,1|1,0,0]=3 134 B10R2.178 O=C1CCC2CO[C@@H]1O2 BB54-2926 [0,0,0,1,0,1|1,0,0]=3 135 B10R2.335 O=C1CCC2(CC1)CC2 BB31-3031 [0,0,0,1,0,1|1,0,0]=3 136 B10R2.534 O=C1CCCC2(CC2)N1 BB32-2373 [0,0,0,1,0,1|1,0,0]=3 137 B10R2.2 O=C1CC2CNCC2C1 BB31-1561 [0,1,0,1,0,0|1,0,0]=3 138 B10R2.14 O=C1CC(C2CC2)CN1 BB31-1588 [0,1,0,1,0,0|2,0,0]=4 139 B10R2.332 O=C1CC2(CN1)COC2 BB31-8963 [0,1,0,1,0,0|2,0,0]=4 140 B10R2.332 O=C1CCC2(CNC2)N1 BB31-3196 [0,1,0,1,0,0|1,0,0]=3 141 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,0,1,0,1,0|1,0,0]=3 142 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,0,1,0,1,0|2,0,0]=4 143 B6R1.6 CNC1CCC1 BB31-5108 [1,0,0,0,1,0|1,0,1]=4 144 B6R1.6 OC[C@@H]1CCN1 BB31-7982 [1,0,0,0,1,0|2,0,0]=4 145 B6R1.6 OC[C@H]1CCN1 BB31-4144 [1,0,0,0,1,0|2,0,0]=4 146 B6R1.5 CN1CC(=O)C1 BB31-3564 [1,0,0,0,1,0|2,0,0]=4 147 B6R1.5 O=C1CC(O)C1 BB31-5120 [1,0,0,0,1,0|2,0,0]=4