0 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.4 N#CCCCC(=O)O BB31-7795 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.4 NC(=O)CCCCO BB31-4574 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.4 O=C([O-])COCCO BB31-2744 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 OB(O)CCCCBr BB31-5383 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.5 CC(CCO)C(N)=O BB31-7816 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.5 NCCC(F)C(=O)O BB31-4428 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.13 CCCC[C@H](NC)C(=O)O BB31-3398 [0,1,0,0,0,0|0,0,0]=1 10 B9R0.42 COC(=O)C[C@@H](C)C(=O)O BB31-5539 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.42 COC(=O)C[C@H](C)C(=O)O BB31-9056 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.47 C=CCCC[C@@H](N)C(=O)O BB31-8480 [0,1,0,0,0,0|1,0,1]=3 13 B9R0.51 C=CCCC(C)(C)C(=O)O BB32-3030 [0,1,0,0,0,0|0,0,2]=3 14 B9R1.6 NC(=O)C1CCNCC1 BB32-1882 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.6 NC(=O)N1CCNCC1 BB31-5203 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.6 O=C(O)[C@H]1CNCCO1 BB31-9515 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 BB31-5360 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 NC1CCC(C(=O)O)C1 BB31-5764 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BB31-5110 [0,0,0,1,0,0|1,0,0]=2 20 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 BB31-7079 [0,0,0,1,0,0|1,0,0]=2 21 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BB32-0526 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [0,0,0,1,0,0|1,0,0]=2 23 B9R1.69 CN1CCC(N)CC1=O BB31-2065 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.95 O=C(O)C1CC(CBr)C1 BB31-8450 [0,0,0,1,0,0|1,0,0]=2 25 B9R1.110 O=C(O)C(=O)C1CCC1 BB31-7654 [0,0,0,1,0,0|1,0,1]=3 26 B9R1.112 O=C(O)C(=O)NC1CC1 BB31-3741 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.163 CC1(C(=O)O)CCNC1 BB31-6443 [0,0,0,1,0,0|1,0,0]=2 28 B9R1.163 CC1(C(N)=O)CSSC1 BB32-0995 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.163 C[C@@]1(C(=O)O)CCNC1 BB31-2661 [0,0,0,1,0,0|1,0,0]=2 30 B9R1.163 O=C(O)C1(F)CCCC1 BB31-2962 [0,0,0,1,0,0|1,0,0]=2 31 B9R1.163 O=C(O)C1(F)CCNC1 BB31-0905 [0,0,0,1,0,0|2,0,0]=3 32 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [0,0,0,0,0,1|0,0,0]=1 33 B9R0.4 CCCCC(O)CC(=O)O BB31-3463 [0,0,0,0,0,1|1,0,0]=2 34 B9R0.4 CSCC[C@H](N)CC(=O)O BB31-6882 [0,0,0,0,0,1|2,0,0]=3 35 B9R0.4 CSCC[C@H](N)CC(=O)O BB32-1606 [0,0,0,0,0,1|2,0,0]=3 36 B6R0.1 CN(C=O)CCO BB31-3078 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.1 C[C@@H](CO)CCN BB31-5417 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.4 CC(=O)CCCBr BB31-6000 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.4 CCCCC(=N)N BB31-8730 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.3 CC(C#N)C(=O)O BB32-3033 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [2,0,0,0,0,0|0,0,0]=2 42 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [1,1,0,0,0,0|0,0,0]=2 46 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [1,1,0,0,0,0|0,0,2]=4 47 B8R0.7 C#CCOCCC(=O)O BB32-2922 [1,1,0,0,0,0|0,0,2]=4 48 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O BB31-6183 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.12 C=CC[C@@](C)(N)C(=O)O BB31-5407 [1,1,0,0,0,0|0,0,2]=4 51 B8R0.12 C=CC[C@](C)(N)C(=O)O BB31-5427 [1,1,0,0,0,0|0,0,2]=4 52 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [1,1,0,0,0,0|0,0,0]=2 53 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [1,1,0,0,0,0|0,0,2]=4 54 B10R0.87 CCCCC(CC)CC(=O)O BB31-4774 [0,1,0,0,0,1|0,0,0]=2 55 B10R0.82 CCC(=O)CCC(C)[N+](=O)[O-] BB31-6784 [0,2,0,0,0,0|1,0,1]=4 56 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O BB31-7426 [0,2,0,0,0,0|1,0,1]=4 57 B10R0.47 COC(=O)CC(C)(C)C(=O)O BB32-2604 [0,2,0,0,0,0|1,0,1]=4 58 B10R0.75 CCCCCC[C@@H](N)C(=O)O BB31-8419 [0,2,0,0,0,0|1,0,0]=3 59 B8R1.1 OCC1CCN(C)C1 BB52-8882 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.2 O=CC1CCCCO1 BB32-0336 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.2 O=CC1CCNCC1 BB31-0713 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.2 ONC1CCCCC1 BB31-6264 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.3 C[C@@H]1CO[C@H](C)CN1 BB31-3235 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.3 C[C@H]1CN[C@H](C)CO1 BB31-3234 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.5 CC1COCCC1=O BB31-0779 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.5 CN1CCOCC1=O BB31-4094 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.5 NC1CCCCC1=O BB31-7416 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.5 NC1CCCNC1=O BB52-8540 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.5 O=C1CCOCC1Br BB31-5776 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.5 O=C1CCOCC1F BB32-3113 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.5 O=C1NCCCC1Br BB32-1567 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.22 CC1CCCCCN1 BB32-1446 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [1,0,0,1,0,0|1,0,0]=3 75 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.6 COCC1CC(=O)C1 BB31-5157 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.31 CC1CCC1C(=O)O BB31-4909 [1,0,0,1,0,0|0,0,0]=2 86 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.34 O=C(O)CC1COC1 BB31-1686 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O BB32-1878 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [1,0,0,1,0,0|1,0,0]=3 91 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.78 CC(=O)C1(C)COC1 BB31-9824 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.78 O=C(O)C1(O)COC1 BB31-2829 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.18 CC(=O)CN1CCCCC1 BB52-8399 [0,0,0,1,0,1|2,0,0]=4 97 B10R1.18 CC(=O)NC1CCCCC1 BB31-5197 [0,0,0,1,0,1|1,0,0]=3 98 B10R1.18 O=C(O)C=C1CCCCC1 BB31-2951 [0,0,0,1,0,1|0,0,1]=3 99 B10R1.18 O=C(O)CC1CCNCC1 BB52-6002 [0,0,0,1,0,1|1,0,0]=3 100 B10R1.18 O=C(O)CC1COCCN1 BB31-6596 [0,0,0,1,0,1|2,0,0]=4 101 B10R1.54 O=C(O)CC1CCC(=O)C1 BB31-7997 [0,0,0,1,0,1|1,0,1]=4 102 B10R1.61 CC1=C(C(=O)O)CCCO1 BB32-2433 [0,0,0,1,0,1|1,0,1]=4 103 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O BB31-3040 [0,0,0,1,0,1|1,0,0]=3 104 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 BB31-2185 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.23 O=C(O)C(=O)N1CCCC1 BB53-0905 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.291 CN1CCC[C@@]1(C)C(=O)O BB31-9968 [0,1,0,1,0,0|0,0,0]=2 107 B10R1.13 CC1=CCC(C(=O)O)CC1 BB32-2492 [0,1,0,1,0,0|0,0,1]=3 108 B10R1.13 O=C(O)C1CCC(F)CC1 BB31-7519 [0,1,0,1,0,0|0,0,0]=2 109 B10R1.13 O=C(O)C1CCC(O)CN1 BB31-1677 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 BB32-0576 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.58 CN1CC(C(=O)O)CC1=O BB52-0174 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.349 CC(C)N1CC(C(=O)O)C1 BB31-7372 [0,1,0,1,0,0|1,0,0]=3 113 B10R1.349 CN(C)C1CC(C(=O)O)C1 BB31-3172 [0,1,0,1,0,0|1,0,0]=3 114 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 BB31-0273 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.359 O=C(O)C1CCC(F)(F)C1 BB31-1506 [0,1,0,1,0,0|1,0,0]=3 116 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 BB31-3072 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 BB32-2414 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 BB31-2511 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 BB32-0853 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 BB31-1920 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 BB31-5268 [0,1,0,1,0,0|1,0,0]=3 122 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 BB31-3489 [0,1,0,1,0,0|1,0,0]=3 123 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 BB31-3426 [0,1,0,1,0,0|1,0,0]=3 124 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 BB31-1508 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 BB32-2988 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 BB31-1919 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 BB32-0731 [0,1,0,1,0,0|1,0,0]=3 128 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 BB31-2804 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.15 CCC(=O)C1CCOCC1 BB31-8702 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.15 CNC(=O)C1CCCNC1 BB32-2420 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.15 CNC(=O)C1CCNCC1 BB31-3974 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.15 COC(=O)C1CCSCC1 BB31-1822 [0,1,0,1,0,0|1,0,0]=3 133 B10R1.15 COC(=O)N1CCNCC1 BB52-9825 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.15 COC(=O)[C@H]1COCCN1 BB31-5008 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.15 COC(=O)[C@H]1COCCN1 BB31-9151 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.15 O=C(CBr)N1CCCCC1 BB52-9290 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.182 COC(=O)[C@@H](N)C1CCC1 BB31-2238 [0,1,0,1,0,0|1,0,0]=3 138 B10R1.411 COC(=O)[C@@]1(C)CCCN1 BB31-1844 [0,1,0,1,0,0|1,0,0]=3 139 B10R1.194 CN1C(=O)CCC1C(=O)O BB51-0407 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.348 NC(=O)C1CCCCCC1 BB32-0810 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.348 O=C(O)C1CCC=CCC1 BB31-3125 [0,1,0,1,0,0|0,0,1]=3 142 B10R1.348 O=C(O)C1CCCNCC1 BB31-7509 [0,1,0,1,0,0|0,0,0]=2 143 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 BB31-9551 [0,1,0,1,0,0|1,0,0]=3 144 B10R1.477 CC[C@]1(C(=O)O)CCCN1 BB31-9549 [0,1,0,1,0,0|1,0,0]=3 145 B10R1.63 CC1CNC(C)(C)C(=O)C1 BB54-5671 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 BB32-3911 [0,1,0,1,0,0|0,0,0]=2 147 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 BB31-7694 [0,1,0,1,0,0|0,0,0]=2 148 B10R1.204 N[C@@H](CC1CCC1)C(=O)O BB31-1413 [0,1,0,1,0,0|1,0,0]=3 149 B10R1.363 CC1(C(=O)O)CC=CCC1 BB31-3321 [0,1,0,1,0,0|0,0,1]=3 150 B10R1.363 CC1(C(N)=O)CC=CCC1 BB32-3868 [0,1,0,1,0,0|1,0,1]=4 151 B10R1.363 O=C(O)C1(F)CCOCC1 BB31-0619 [0,1,0,1,0,0|1,0,0]=3 152 B10R2.178 O=C1CCC2CCC1N2 BB31-3938 [0,0,0,2,0,0|2,0,0]=4 153 B10R2.62 O=C1CC2CCC1CC2 BB31-4783 [0,0,0,2,0,0|1,0,0]=3 154 B10R2.62 O=C1NC2CCC1CC2 BB32-1630 [0,0,0,2,0,0|1,0,0]=3 155 B10R2.351 O=C(O)[C@@H]1[C@H]2CNC[C@H]21 BB58-1928 [0,0,0,2,0,0|1,0,0]=3 156 B10R2.638 O=C(O)C1CC12CCC2 BB32-0649 [0,0,0,2,0,0|0,0,0]=2