0 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.4 CC(=O)CCCBr BB31-6000 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 CCCCC(=N)N BB31-8730 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 COCCC(=N)N BB31-7023 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 COCOC(C)=O BB32-2824 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 NCCNC(N)=O BB32-3910 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,1,0,0,0,0|0,0,1]=2 16 B8R0.23 CC(=O)C(=O)OC(C)C BB31-7341 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,1,0,0,0,0|0,0,0]=1 19 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.3 C[C@@H]1CO[C@H](C)CN1 BB31-3235 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.3 C[C@H]1CC[C@@H](N)CC1 BB31-5132 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.3 C[C@H]1CN[C@H](C)CO1 BB31-3234 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.3 O[C@H]1CC[C@@H](O)CC1 BB31-4868 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.23 CC(=O)N1CC(N)C1 BB31-2583 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,0,0,1,0,0|0,0,0]=1 34 B8R1.51 CC1(C)COC(=O)C1 BB31-2397 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.51 NC1CCS(=O)(=O)C1 BB52-8538 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.51 O=S1(=O)CCC(Br)C1 BB52-7754 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.51 O=S1(=O)CCC(O)C1 BB52-7753 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.77 O=C(O)[C@@H]1CC1(F)F BB31-4050 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.77 O=C(O)[C@H]1CC1(F)F BB31-3198 [0,0,0,1,0,0|2,0,0]=3 40 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,0,0,0,1,0|1,0,1]=3 41 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,0,0,0,0,1|2,0,1]=4 42 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [0,0,0,0,0,1|3,0,0]=4 43 B5R0.1 CC(=O)CCBr BB31-4479 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 CC(O)CCBr BB32-3029 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 COCC(N)=O BB31-3207 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 O=C(O)CCF BB32-2513 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.2 C=CCCCI BB31-6966 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.2 C=CCCCN BB31-4446 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 OCCCCI BB32-2029 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.2 CC(C)CC(N)C#N BB31-5651 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,1,0,0,0,0|0,0,0]=2 52 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,1,0,0,0,0|0,0,0]=2 53 B7R0.4 N#CCCCC(=O)O BB31-7795 [1,1,0,0,0,0|0,0,1]=3 54 B7R0.4 NC(=O)CCCCO BB31-4574 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.4 O=C([O-])COCCO BB31-2744 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.4 OB(O)CCCCBr BB31-5383 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.5 CC(C)C(C)CCO BB31-7531 [1,1,0,0,0,0|0,0,1]=3 58 B7R0.5 CC(C)C(N)CCO BB31-5763 [1,1,0,0,0,0|0,0,1]=3 59 B7R0.5 CC(C)N(C)CCO BB31-4522 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.5 CC(CCO)C(N)=O BB31-7816 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.5 NCCC(F)C(=O)O BB31-4428 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.9 CC(O)CC(C)(C)C BB31-5872 [0,1,0,0,1,0|1,0,1]=4 63 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,0,0,1,0|0,0,0]=2 64 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [0,1,0,0,0,1|0,0,2]=4 65 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [0,1,0,0,0,1|0,0,0]=2 66 B9R0.21 CCC(=O)CNC(C)(C)C BB54-2744 [0,2,0,0,0,0|2,0,0]=4 67 B9R0.23 COC(=O)C(=O)CC(C)C BB31-6224 [0,2,0,0,0,0|0,0,1]=3 68 B9R0.23 COC(=O)C(O)CC(C)C BB32-2157 [0,2,0,0,0,0|0,0,0]=2 69 B9R0.42 COC(=O)CC(=O)C(C)Br BB31-4983 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.42 COC(=O)C[C@@H](C)C(=O)O BB31-5539 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.42 COC(=O)C[C@H](C)C(=O)O BB31-9056 [0,2,0,0,0,0|1,0,1]=4 72 B9R0.43 COC(CNC(C)=O)OC BB32-3584 [0,2,0,0,0,0|2,0,0]=4 73 B9R0.48 CC(C)CNC(=O)CCN BB32-0238 [0,2,0,0,0,0|2,0,0]=4 74 B9R0.48 CCOC(=O)OCC(C)C BB31-5205 [0,2,0,0,0,0|1,0,0]=3 75 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O BB31-5066 [0,2,0,0,0,0|0,0,0]=2 76 B9R0.10 O=C(O)C[C@@H](O)C(F)(F)F BB31-5416 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.11 CN(C)S(=O)(=O)CC(=O)O BB31-9226 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.39 CC(C)C[C@@H](CN)C(=O)O BB31-9825 [0,2,0,0,0,0|0,0,0]=2 79 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-1945 [0,2,0,0,0,0|0,0,0]=2 80 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-4160 [0,2,0,0,0,0|0,0,0]=2 81 B9R0.39 CC(C)\C=C(\C#N)C(=O)O BB31-7111 [0,2,0,0,0,0|0,0,2]=4 82 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O BB31-4655 [0,2,0,0,0,0|0,0,0]=2 83 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.2 NC1CCC(O)C1 BB31-2061 [1,0,0,1,0,0|1,0,1]=4 86 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [1,0,0,1,0,0|1,0,1]=4 87 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.2 O=C1CC(O)CO1 BB31-5337 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.2 O=C1CCC(O)C1 BB31-4994 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.3 CN1CC=CCC1 BB31-7198 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.3 O=C1CNCCO1 BB32-2655 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.3 OC1CC=CCC1 BB31-4823 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.3 S=C1CCCCN1 BB31-1665 [1,0,0,1,0,0|1,1,0]=4 100 B7R1.7 OCCNC1CC1 BB32-1964 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.10 CN1CC(CO)C1 BB31-2891 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.10 COC1CC(=O)C1 BB31-4629 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.10 NCC1CC(=O)C1 BB31-2692 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.10 N[C@H]1C[C@@H](CO)C1 BB31-9750 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [1,0,0,1,0,0|0,0,0]=2 108 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [1,0,0,1,0,0|0,0,0]=2 109 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.14 CC1(C)CCCN1 BB52-8585 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.14 CC1(C)CCNC1 BB31-5023 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.18 CC(=O)N1CCC1 BB32-2755 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.18 N=C(N)C1CCC1 BB31-6957 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.18 NC(=O)C1CNC1 BB31-1092 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.18 NC(=S)C1CCC1 BB31-2990 [1,0,0,1,0,0|1,1,0]=4 116 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [1,0,0,1,0,0|0,0,2]=4 117 B7R1.18 O=C(O)C1COC1 BB31-0382 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [0,0,0,1,1,0|1,0,0]=3 119 B9R1.35 CC(C)C1=NNC(=O)O1 BB31-8249 [0,0,0,1,0,1|1,0,1]=4 120 B9R1.35 CC(C)N1CCC(O)C1 BB31-5531 [0,0,0,1,0,1|1,0,1]=4 121 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 BB31-2463 [0,0,0,1,0,1|1,0,0]=3 122 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 BB31-5360 [0,0,0,1,0,1|2,0,0]=4 123 B9R1.35 NC1CCC(C(=O)O)C1 BB31-5764 [0,0,0,1,0,1|1,0,0]=3 124 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BB31-5110 [0,0,0,1,0,1|1,0,0]=3 125 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 BB31-7079 [0,0,0,1,0,1|1,0,0]=3 126 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BB32-0526 [0,0,0,1,0,1|1,0,0]=3 127 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [0,0,0,1,0,1|1,0,0]=3 128 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [0,0,0,1,0,1|0,0,0]=2 129 B9R1.170 O=C(O)CC1CC1(F)F BB31-0929 [0,0,0,1,0,1|2,0,0]=4 130 B9R1.1 CON1CCC(=O)CC1 BB31-8752 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.1 CO[C@H]1CC[C@H](O)CC1 BB32-1070 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.1 NCC1CCC(=O)NC1 BB32-1698 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 BB31-0982 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.1 NC[C@H]1CC[C@H](O)CC1 BB31-0289 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.1 O=C1CCC(CBr)CC1 BB31-3860 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.1 O=C1CO[C@H](CO)CN1 BB31-8603 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.1 O=CC1CCC(=O)CC1 BB31-5251 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 BB31-1102 [0,1,0,1,0,0|1,0,1]=4 139 B9R1.82 COC(=O)C1CC(Cl)C1 BB31-3084 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 BB32-3300 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.95 O=C(O)C1CC(CBr)C1 BB31-8450 [0,1,0,1,0,0|0,0,0]=2 142 B9R1.133 CNC1CCS(=O)(=O)C1 BB32-2260 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.147 CC1(CCC(=O)O)N=N1 BB31-4323 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.112 O=C(O)C(=O)NC1CC1 BB31-3741 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.152 CC1(C(=O)O)CC(=O)C1 BB31-4490 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.164 CC(=O)C1CC(F)(F)C1 BB31-3148 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 BB31-2410 [0,1,0,1,0,0|0,0,0]=2 148 B9R1.164 O=C(O)C1CS(=O)(=O)C1 BB31-1722 [0,1,0,1,0,0|2,0,0]=4 149 B9R2.145 O=C(O)C12CC(C1)C2 BB32-1726 [0,0,0,2,0,0|0,0,0]=2 150 B9R2.143 O=C(O)C1CC12CC2 BB32-0327 [0,0,0,2,0,0|0,0,0]=2