0 B7R1.4 CC1=CNNC1=O BB58-3426 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 NC1CCCC1=O BB58-3328 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.4 NC1CCNC1=O BB12-2184 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 CC1=NCCN1 BB01-8036 [1,0,0,0,0,0|2,0,1]=4 4 B6R1.2 NC1CCOC1 BB55-5168 [1,0,0,0,0,0|1,0,1]=3 5 B6R1.2 OC1CNOC1 BB12-1709 [1,0,0,0,0,0|1,0,2]=4 6 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [1,0,0,0,0,0|1,0,2]=4 7 B8R1.11 CCC1CCCC1=O BB12-2911 [0,1,0,0,0,0|1,0,0]=2 8 B8R1.11 CN1CCCC1CBr BB12-3093 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.11 CN1CCCC1CCl BB58-2152 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.11 CN1CCCC1CN BB55-6399 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.11 CN1CCCC1CO BB12-1660 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.18 CC1SC(N)=NC1=O BB12-3915 [0,1,0,0,0,0|1,1,1]=4 13 B8R1.18 CN1CC(N)CC1=O BB58-3545 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.19 CC1(C)OCCC1=O BB58-3943 [0,1,0,0,0,0|0,0,0]=1 15 B8R1.19 CC1(C)OCCC1N BB58-3942 [0,1,0,0,0,0|1,0,1]=3 16 B8R1.19 CC1CCNC1(C)C BB57-7206 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.19 ClC1OCCC1(Cl)Cl BB12-2275 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.50 CN1C(=O)CNC1=O BB26-0158 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.50 CN1C(=O)CNC1=O BB58-1433 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.50 CN1CCC(Br)C1=O BB58-3454 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.50 CN1CCC(N)C1=O BB58-3639 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.1 CCNC(=O)CBr BB57-1139 [0,0,1,0,0,0|3,0,0]=4 23 B6R0.1 CCNC(C)CO BB12-1659 [0,0,1,0,0,0|1,0,2]=4 24 B6R0.1 CCOC(=N)CC BB57-3767 [0,0,1,0,0,0|3,0,0]=4 25 B6R0.1 CCOC(C)CN BB57-2923 [0,0,1,0,0,0|1,0,1]=3 26 B6R0.1 CNC(=O)CC#N BB12-1423 [0,0,1,0,0,0|2,0,1]=4 27 B6R0.1 CNC(=O)CCCl BB12-1619 [0,0,1,0,0,0|2,0,0]=3 28 B6R0.1 CNC(=O)CCN BB12-1715 [0,0,1,0,0,0|2,0,0]=3 29 B6R0.1 CNC(=O)CCO BB12-3660 [0,0,1,0,0,0|1,0,0]=2 30 B6R0.1 CNC(C)CCO BB05-4613 [0,0,1,0,0,0|2,0,1]=4 31 B6R0.1 CNC(C)CCO BB12-1373 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.1 CNCC(=O)NC BB01-4880 [0,0,1,0,0,0|3,0,0]=4 33 B6R0.1 COC(=O)CCN BB12-2761 [0,0,1,0,0,0|2,0,0]=3 34 B6R0.1 COC(=O)CCO BB12-1300 [0,0,1,0,0,0|1,0,0]=2 35 B6R0.1 N\C(CCO)=N/O BB12-3471 [0,0,1,0,0,0|3,0,0]=4 36 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,0,1,0,0,0|3,0,0]=4 37 B6R0.3 CC(O)\C(N)=N\O BB57-3710 [0,0,1,0,0,0|3,0,0]=4 38 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.3 CN(C)C(=O)CBr BB57-2931 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.3 CN(C)C(=O)CO BB12-3698 [0,0,1,0,0,0|3,0,0]=4 41 B6R0.3 CNC(=O)C(C)Br BB12-1295 [0,0,1,0,0,0|2,0,0]=3 42 B6R0.3 CNC(=O)C(C)Cl BB55-4738 [0,0,1,0,0,0|2,0,0]=3 43 B6R0.3 CNC(=O)[C@@H](C)N BB32-0279 [0,0,1,0,0,0|2,0,0]=3 44 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,0,1,0,0,0|2,0,0]=3 45 B6R0.3 COC(=N)C(C)C BB12-3132 [0,0,1,0,0,0|3,0,0]=4 46 B6R0.3 COC(=O)N(C)N BB12-2783 [0,0,1,0,0,0|3,0,0]=4 47 B6R0.3 COC(C)C(=O)O BB57-2927 [0,0,1,0,0,0|1,0,0]=2 48 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,0,1,0,0,0|1,1,0]=3 49 B6R0.6 CCCCCNC BB57-3734 [0,0,1,0,0,0|3,0,0]=4 50 B6R0.6 CCCCCNN BB12-2485 [0,0,1,0,0,0|3,0,0]=4 51 B6R0.6 CCOCCNC BB57-2926 [0,0,1,0,0,0|2,0,0]=3 52 B6R0.6 CCSCCNC BB12-0971 [0,0,1,0,0,0|2,1,0]=4 53 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [0,0,0,0,0,1|1,0,0]=2 54 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,0,0,0,0,1|1,0,0]=2 55 B8R1.5 CC1=C(C)CONC1 BB12-1716 [0,0,0,0,0,1|2,0,1]=4 56 B8R1.5 CC1=NCCCN1C BB54-0189 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.5 CC1CCCNC1C BB57-6977 [0,0,0,0,0,1|2,0,1]=4 58 B8R1.5 CC1CNCCC1=O BB58-3122 [0,0,0,0,0,1|1,0,0]=2 59 B8R1.5 CC1OCCNC1=O BB58-1681 [0,0,0,0,0,1|0,0,0]=1 60 B8R1.5 CN1CCNCC1=O BB57-1025 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.5 C[C@H]1CNCC[C@@H]1O BB58-3128 [0,0,0,0,0,1|1,0,2]=4 62 B8R1.5 NC1CCCCC1=O BB58-4091 [0,0,0,0,0,1|2,0,0]=3 63 B8R1.5 O=C1CCOCC1O BB17-2979 [0,0,0,0,0,1|1,0,0]=2 64 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,0,0,0,0,1|2,0,0]=3 65 B5R0.1 CC(=O)CC#N BB54-5411 [1,0,1,0,0,0|1,0,1]=4 66 B5R0.1 CC(N)CCO BB57-1076 [1,0,1,0,0,0|1,0,1]=4 67 B5R0.1 CCOC(C)=N BB12-3674 [1,0,1,0,0,0|1,0,1]=4 68 B5R0.1 CNCC(C)=O BB12-3010 [1,0,1,0,0,0|1,0,0]=3 69 B5R0.1 CNCC(C)O BB12-1288 [1,0,1,0,0,0|1,0,1]=4 70 B5R0.1 COCC(N)=S BB58-4256 [1,0,1,0,0,0|1,1,0]=4 71 B5R0.1 CS(=O)CCN BB55-5915 [1,0,1,0,0,0|2,0,0]=4 72 B5R0.1 NC(=O)CCO BB58-1090 [1,0,1,0,0,0|1,0,0]=3 73 B5R0.2 CCC#CCO BB58-4730 [1,0,1,0,0,0|0,0,2]=4 74 B5R0.2 CCSCCN BB53-1545 [1,0,1,0,0,0|1,1,0]=4 75 B5R0.2 CCSCCO BB54-1799 [1,0,1,0,0,0|1,0,0]=3 76 B5R0.2 COCCNN BB58-0266 [1,0,1,0,0,0|2,0,0]=4 77 B5R0.2 OCCCCCl BB54-0721 [1,0,1,0,0,0|1,0,1]=4 78 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,0,1,0,0,0|2,0,0]=4 79 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,0,1,0,0,0|2,0,0]=4 80 B5R0.3 CCC(C)NC BB53-1672 [1,0,1,0,0,0|1,0,1]=4 81 B5R0.3 CC\C(N)=N\O BB12-3467 [1,0,1,0,0,0|2,0,0]=4 82 B5R0.3 CNC(=O)CBr BB55-6801 [1,0,1,0,0,0|2,0,0]=4 83 B5R0.3 CNC(=O)CO BB58-0349 [1,0,1,0,0,0|1,0,0]=3 84 B5R0.3 COC(C)C#N BB57-3722 [1,0,1,0,0,0|1,0,1]=4 85 B5R0.3 COC(C)CN BB55-4647 [1,0,1,0,0,0|1,0,1]=4 86 B5R0.3 NNC(=O)CO BB12-3095 [1,0,1,0,0,0|2,0,0]=4 87 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,0,1,0,0,0|2,0,0]=4 88 B5R0.5 CC(C)C(=N)N BB20-1445 [1,0,1,0,0,0|2,0,0]=4 89 B5R0.5 CC(Cl)C(N)=O BB12-1307 [1,0,1,0,0,0|2,0,0]=4 90 B5R0.5 CC(O)C(=N)N BB58-0260 [1,0,1,0,0,0|2,0,0]=4 91 B5R1.1 C1CSCN1 BB57-3983 [2,0,0,0,0,0|1,1,0]=4 92 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [0,1,1,0,0,0|1,0,1]=4 93 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,1,1,0,0,0|2,0,0]=4 94 B7R0.3 CCC(=O)NCCN BB12-2323 [0,1,1,0,0,0|1,0,0]=3 95 B7R0.3 CCCOC(C)CN BB55-6921 [0,1,1,0,0,0|1,0,1]=4 96 B7R0.3 CCN(C)CCCO BB12-3254 [0,1,1,0,0,0|2,0,0]=4 97 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [0,1,1,0,0,0|0,0,1]=3 98 B7R0.3 CNC(=O)CCCN BB55-7167 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.3 CNCCC(=O)NC BB12-1428 [0,1,1,0,0,0|2,0,0]=4 100 B7R0.3 COCCC(=O)NN BB20-4502 [0,1,1,0,0,0|2,0,0]=4 101 B7R0.3 NNC(=O)CCCO BB55-4806 [0,1,1,0,0,0|2,0,0]=4 102 B7R0.3 O=C(CCl)NCCCl BB57-4227 [0,1,1,0,0,0|2,0,0]=4 103 B7R0.5 CCNC(=O)C(C)Cl BB55-4743 [0,1,1,0,0,0|2,0,0]=4 104 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,1,1,0,0,0|0,1,0]=3 105 B7R0.5 CN(C)C(=O)CCCl BB12-1527 [0,1,1,0,0,0|2,0,0]=4 106 B7R0.5 CN(C)C(=O)CCN BB57-3998 [0,1,1,0,0,0|2,0,0]=4 107 B7R0.5 CN(C)C(=O)CCO BB12-3663 [0,1,1,0,0,0|1,0,0]=3 108 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,1,1,0,0,0|2,0,0]=4 109 B7R0.7 CCNC(C)CCO BB12-1398 [0,1,1,0,0,0|1,0,1]=4 110 B7R0.7 CCOC(=N)CCCl BB12-2325 [0,1,1,0,0,0|2,0,0]=4 111 B7R0.7 CCOC(=O)CCO BB12-1446 [0,1,1,0,0,0|0,0,0]=2 112 B7R0.7 CCOC(=O)CNN BB05-1938 [0,1,1,0,0,0|2,0,0]=4 113 B7R0.7 CN(CCN)CCO BB58-1912 [0,1,1,0,0,0|2,0,0]=4 114 B7R0.7 O=S(CCO)CCO BB54-0247 [0,1,1,0,0,0|1,0,0]=3 115 B7R0.7 [C-]#[N+]CC(=O)OCC BB56-1762 [0,1,1,0,0,0|2,0,0]=4 116 B7R0.10 COC(=O)C(O)CCl BB57-4961 [0,1,1,0,0,0|2,0,0]=4 117 B7R0.11 CCS(=O)(=O)CCCl BB53-1535 [0,1,1,0,0,0|2,0,0]=4 118 B7R0.11 CCS(=O)(=O)CCN BB53-1627 [0,1,1,0,0,0|2,0,0]=4 119 B7R0.11 CCS(=O)(=O)CCO BB53-1534 [0,1,1,0,0,0|1,0,0]=3 120 B7R0.12 CCOC(CC)CBr BB12-3730 [0,1,1,0,0,0|1,0,1]=4 121 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [0,1,1,0,0,0|2,0,0]=4 122 B7R0.13 COC(C)(C)C(=O)O BB57-1085 [0,1,1,0,0,0|1,0,0]=3 123 B7R0.14 CC(C)(C)C(=O)CN BB12-1271 [0,1,1,0,0,0|2,0,0]=4 124 B7R0.14 CNC(=O)C(C)(C)N BB57-2984 [0,1,1,0,0,0|2,0,0]=4 125 B7R0.15 CCC(CN)C(=O)O BB58-3841 [0,1,1,0,0,0|2,0,0]=4 126 B7R0.15 CCC(NC)C(=O)O BB57-2477 [0,1,1,0,0,0|2,0,0]=4 127 B7R0.15 CCC(NC)C(N)=O BB57-1806 [0,1,1,0,0,0|2,0,0]=4 128 B7R0.15 CCC(OC)C(=O)O BB57-2928 [0,1,1,0,0,0|1,0,0]=3 129 B7R0.15 COC(OC)C(N)=O BB58-3444 [0,1,1,0,0,0|1,0,0]=3 130 B7R0.16 CC(Br)C(=O)N(C)C BB58-3438 [0,1,1,0,0,0|2,0,0]=4 131 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,1,1,0,0,0|2,0,0]=4 132 B7R0.16 CC(Cl)C(=O)N(C)C BB57-0817 [0,1,1,0,0,0|2,0,0]=4 133 B7R0.16 CC(N)C(=O)N(C)C BB12-3610 [0,1,1,0,0,0|2,0,0]=4 134 B7R0.1 CCCCOCCN BB53-1642 [0,1,1,0,0,0|1,0,1]=4 135 B7R0.4 C=CCCNC(C)C BB58-4949 [0,1,1,0,0,0|2,0,0]=4 136 B7R0.4 CCCNCC(=O)O BB20-0186 [0,1,1,0,0,0|2,0,0]=4 137 B7R0.4 CCCOCC(=O)O BB55-7872 [0,1,1,0,0,0|2,0,0]=4 138 B7R0.4 CCCSCC(=O)O BB12-3263 [0,1,1,0,0,0|2,0,0]=4 139 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,1,1,0,0,0|0,0,0]=2 140 B7R0.4 CCSCCC(=O)O BB12-3270 [0,1,1,0,0,0|0,1,0]=3 141 B7R1.1 CCC1CCCN1 BB55-8085 [1,1,0,0,0,0|1,0,1]=4 142 B7R1.1 CNC1CCCC1 BB53-1678 [1,1,0,0,0,0|1,0,1]=4 143 B7R1.1 ClCC1CCCN1 BB54-3837 [1,1,0,0,0,0|1,0,1]=4 144 B7R1.1 NCC1CCCO1 BB12-1343 [1,1,0,0,0,0|0,0,1]=3 145 B7R1.2 CC1CNC(=O)C1 BB58-5429 [1,1,0,0,0,0|2,0,0]=4 146 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [1,1,0,0,0,0|1,0,1]=4 147 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.2 NCC1CCNC(=O)C1 BB31-2480 [0,1,0,0,0,1|2,0,0]=4 149 B9R1.66 CC1(C)COCC(=O)N1 BB55-6998 [0,1,0,0,0,1|2,0,0]=4 150 B9R1.15 CC1CCCC\C1=N\O BB12-1622 [0,1,0,0,0,1|1,0,1]=4 151 B9R1.15 CCC1SCCNC1=O BB57-3971 [0,1,0,0,0,1|0,1,0]=3 152 B9R1.15 O=CC1CCCCC1=O BB12-3722 [0,1,0,0,0,1|1,0,1]=4 153 B9R1.40 CC1(C)SCCNC1=O BB57-3970 [0,1,0,0,0,1|0,1,0]=3 154 B9R1.24 CC1(C)OCCC1CN BB58-3840 [0,2,0,0,0,0|1,0,1]=4 155 B9R1.24 CC1(C)OCCC1CO BB58-3834 [0,2,0,0,0,0|0,0,2]=4 156 B9R1.33 O=C1CCCN1CCBr BB55-6495 [0,2,0,0,0,0|2,0,0]=4 157 B9R1.33 O=C1CCCN1CCCl BB55-7854 [0,2,0,0,0,0|2,0,0]=4 158 B9R1.36 CC1CC(C)(C)NC1=O BB58-3413 [0,2,0,0,0,0|2,0,0]=4 159 B7R1.3 CC1CCOCC1 BB32-2892 [0,0,1,1,0,0|1,0,1]=4 160 B7R1.3 CC1CNCCO1 BB57-2444 [0,0,1,1,0,0|1,0,1]=4 161 B7R1.3 NC1CCOCC1 BB54-3533 [0,0,1,1,0,0|1,0,1]=4 162 B7R1.3 OC1CCOCC1 BB12-1171 [0,0,1,1,0,0|0,0,2]=4 163 B7R1.6 OCCC1CCC1 BB31-5201 [0,0,1,1,0,0|1,0,1]=4 164 B7R1.22 COC(=O)C1CN1 BB58-4742 [0,0,1,1,0,0|2,0,0]=4 165 B7R1.22 O=C(CBr)C1CC1 BB55-6968 [0,0,1,1,0,0|2,0,0]=4 166 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,0,1,1,0,0|2,0,0]=4 167 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,0,1,1,0,0|2,0,0]=4 168 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,0,1,1,0,0|1,0,0]=3 169 B7R1.24 C1CNCCOC1 BB57-0752 [0,0,1,1,0,0|1,0,1]=4 170 B9R2.39 N1C(=O)[C@@H]2C=C[C@H]1C2 BB20-3333 [0,0,0,1,0,1|1,0,1]=4 171 B9R2.109 O=C1CCCC2CC12 BB32-3528 [0,0,0,1,0,1|1,0,0]=3 172 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,0,1,0|1,0,0]=3 173 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [0,0,0,0,0,2|1,0,0]=3 174 B9R1.49 CC1CCNC(=O)CC1 BB58-4537 [0,0,0,0,0,2|2,0,0]=4 175 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,0,0,0,0,2|2,0,0]=4