0 B5R0.1 CC(=O)CCBr BB31-4479 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(O)CCBr BB32-3029 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CNCC(F)F BB31-9778 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 COCC(C)Br BB31-8127 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C[C@H](N)CC#N BB31-5263 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C#C[C@H](C)N BB31-2680 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.1 CC(N)C#N BB31-5240 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 OCC(Cl)Cl BB31-5600 [1,0,0,0,0,0|2,0,1]=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|3,0,0]=4 10 B6R0.1 CCC(O)CC#N BB31-2014 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 C[C@@H](CO)CCN BB31-5417 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.1 OCC[C@H](O)CCl BB31-2429 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.5 CC(C)(C)CCN BB31-4614 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.5 CC(C)(C)\C=N\O BB32-2942 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.5 COCC(C)(C)N BB31-4342 [0,1,0,0,0,0|2,0,0]=3 17 B6R1.2 BrC1CCSC1 BB52-7755 [0,0,0,1,0,0|1,1,1]=4 18 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [0,0,0,1,0,0|1,0,1]=3 19 B6R1.2 C[C@H]1CCNC1 BB31-5082 [0,0,0,1,0,0|1,0,1]=3 20 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.2 NC1CCSC1 BB52-7752 [0,0,0,1,0,0|1,1,1]=4 22 B6R1.2 OC1CCSC1 BB52-7751 [0,0,0,1,0,0|1,1,1]=4 23 B6R1.2 O[C@@H]1CNOC1 BB31-5422 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.3 BrCCC1CC1 BB31-5305 [0,0,0,1,0,0|1,0,1]=3 25 B6R1.3 CCNC1CC1 BB31-5032 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.3 ICCC1CC1 BB32-1715 [0,0,0,1,0,0|1,0,1]=3 27 B6R1.3 NNCC1CC1 BB31-6121 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.3 NNCC1CC1 BB31-9304 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.3 NOCC1CC1 BB31-6884 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.3 OCC[C@@H]1CO1 BB31-6861 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.5 CN1CC(=O)C1 BB31-3564 [0,0,0,1,0,0|1,0,0]=2 32 B6R1.5 CN1CC(N)C1 BB31-5035 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.5 CN1CC(O)C1 BB31-5794 [0,0,0,1,0,0|1,0,2]=4 34 B6R1.5 N[C@H]1C[C@H](F)C1 BB31-2535 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.5 O=C1CC(O)C1 BB31-5120 [0,0,0,1,0,0|1,0,0]=2 36 B6R1.5 O[C@H]1C[C@H](F)C1 BB31-1536 [0,0,0,1,0,0|1,0,2]=4 37 B6R1.10 CC1(C)CCN1 BB31-8862 [0,0,0,1,0,0|1,0,1]=3 38 B6R1.10 CC1(N)CNC1 BB31-1091 [0,0,0,1,0,0|3,0,0]=4 39 B5R0.3 C=C[C@H](N)CO BB32-0951 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.3 CC(CO)CBr BB31-7772 [1,1,0,0,0,0|0,0,1]=3 41 B5R0.3 CO[C@@H](C)CO BB31-0453 [1,1,0,0,0,0|0,0,1]=3 42 B5R0.3 NCC(Br)CBr BB31-7157 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.3 NCC(O)CCl BB31-4889 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.3 O=C[C@H](O)CO BB31-6122 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.4 CC(C)(F)CN BB31-5316 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.5 CC(=O)C(N)=O BB32-3571 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.2 C#CCCCBr BB31-4992 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.2 C=CCCCI BB31-6966 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.2 C=CCCCN BB31-4446 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.2 CCSCCN BB31-5588 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.2 N#CCCCN BB32-0548 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.2 OCCCCI BB32-2029 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.2 CC(C)CC(N)C#N BB31-5651 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.5 CC(C)C(C)CCO BB31-7531 [0,2,0,0,0,0|0,0,2]=4 57 B7R0.5 CC(C)C(N)CCO BB31-5763 [0,2,0,0,0,0|0,0,2]=4 58 B7R0.5 CC(C)N(C)CCO BB31-4522 [0,2,0,0,0,0|0,0,2]=4 59 B7R0.11 CC(C)(CO)CCO BB31-8012 [0,2,0,0,0,0|0,0,2]=4 60 B7R0.9 CC(O)CC(C)(C)C BB31-5872 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,2,0,0,0,0|0,0,0]=2 62 B7R0.16 CC(C)C(N)C(C)C BB32-2069 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.14 CC(C)(O)[C@H](F)CN BB32-0764 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.15 CCN(N=O)C(C)C BB32-0816 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,2,0,0,0,0|0,0,1]=3 68 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,2,0,0,0,0|1,0,0]=3 70 B5R1.2 BrC1CNC1 BB31-5774 [1,0,0,1,0,0|2,0,0]=4 71 B5R1.2 CC1CCN1 BB31-0642 [1,0,0,1,0,0|1,0,1]=4 72 B5R1.2 ClC1CNC1 BB31-7993 [1,0,0,1,0,0|2,0,0]=4 73 B5R1.2 NC1CSC1 BB31-1853 [1,0,0,1,0,0|1,1,0]=4 74 B5R1.2 SC1CNC1 BB31-3722 [1,0,0,1,0,0|2,0,0]=4 75 B5R1.4 N[C@@H]1C[C@@H]1F BB31-2658 [1,0,0,1,0,0|2,0,0]=4 76 B5R1.4 N[C@@H]1C[C@H]1N BB32-1814 [1,0,0,1,0,0|2,0,0]=4 77 B5R1.4 N[C@H]1C[C@H]1N BB32-3586 [1,0,0,1,0,0|2,0,0]=4 78 B5R1.1 C1CNNC1 BB31-6290 [1,0,0,1,0,0|2,0,0]=4 79 B5R1.1 C1CNOC1 BB31-7828 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [0,1,0,1,0,0|0,0,2]=4 81 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [0,1,0,1,0,0|0,0,2]=4 82 B7R1.1 CO[C@@H]1CCNC1 BB31-1407 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.1 CO[C@H]1CCNC1 BB31-1406 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [0,1,0,1,0,0|0,0,2]=4 86 B7R1.1 OCC1CCNC1 BB52-8382 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [0,1,0,1,0,0|0,0,2]=4 88 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,1,0,1,0,0|1,0,0]=3 91 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,1,0,1,0,0|1,0,0]=3 92 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,1,0,1,0,0|1,0,0]=3 93 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.3 CN1CC=CCC1 BB31-7198 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [0,1,0,1,0,0|1,0,1]=4 97 B7R1.3 OC1CC=CCC1 BB31-4823 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.6 C=CCC1CNC1 BB31-3197 [0,1,0,1,0,0|1,0,0]=3 99 B7R1.6 CNCC1COC1 BB31-2533 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.6 COCC1CNC1 BB31-0895 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.6 OCCC1COC1 BB31-4347 [0,1,0,1,0,0|0,0,2]=4 102 B7R1.9 OC[C@H]1C[C@H]1CO BB31-4235 [0,1,0,1,0,0|0,0,2]=4 103 B7R1.10 CN1CC(CN)C1 BB32-0572 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.10 CN1CC(CO)C1 BB31-2891 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.10 CNC1CC(O)C1 BB32-0317 [0,1,0,1,0,0|0,0,2]=4 106 B7R1.10 CN[C@H]1C[C@@H](O)C1 BB31-2520 [0,1,0,1,0,0|0,0,2]=4 107 B7R1.10 CN[C@H]1C[C@H](O)C1 BB31-2532 [0,1,0,1,0,0|0,0,2]=4 108 B7R1.10 COC1CC(=O)C1 BB31-4629 [0,1,0,1,0,0|0,0,0]=2 109 B7R1.10 CO[C@H]1C[C@H](N)C1 BB31-2519 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.10 NCC1CC(=O)C1 BB31-2692 [0,1,0,1,0,0|0,0,0]=2 111 B7R1.10 NCC1CC(O)C1 BB58-2198 [0,1,0,1,0,0|0,0,2]=4 112 B7R1.10 NC[C@H]1C[C@@H](O)C1 BB31-2482 [0,1,0,1,0,0|0,0,2]=4 113 B7R1.10 N[C@H]1C[C@@H](CO)C1 BB31-9750 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [0,1,0,1,0,0|0,0,0]=2 115 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [0,1,0,1,0,0|0,0,0]=2 116 B7R1.22 CCC(N)C1CC1 BB31-5288 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.22 CCC(O)C1CC1 BB32-0693 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.25 CC1(CO)CCO1 BB31-4926 [0,1,0,1,0,0|0,0,2]=4 119 B7R1.25 CC1(CO)CNC1 BB31-2564 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,1,0,1,0,0|0,0,0]=2 121 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,1,0,1,0,0|0,0,0]=2 122 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 CC1(C)CC(Br)C1 BB32-1942 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.16 C[C@]1(N)C[C@H](O)C1 BB31-2494 [0,1,0,1,0,0|0,0,2]=4 126 B7R1.16 O=C1CC(F)(F)C1 BB31-1782 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.16 O=S1(=O)CC(O)C1 BB31-7627 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.7 OCCNC1CC1 BB32-1964 [0,1,0,1,0,0|0,0,2]=4 129 B7R1.14 CC1(C)CCCN1 BB52-8585 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.14 CC1(C)CCNC1 BB31-5023 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.14 CC1(C)COCN1 BB31-4898 [0,1,0,1,0,0|1,0,1]=4 132 B7R2.11 C1NC2CC1C2 BB31-5093 [0,0,0,2,0,0|1,0,1]=4