0 B6R1.2 CC1=NCCN1 BB01-8036 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 N=C1NCCN1 BB20-0100 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 NC1=NC=CO1 BB54-4580 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 NC1=NN=CO1 BB58-1966 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 NC1CCOC1 BB55-5168 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 O=C1NC=CN1 BB57-4795 [0,0,0,0,0,0|2,0,2]=4 6 B6R1.2 O=C1NC=NN1 BB54-5765 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 OC1=NN=CO1 BB58-1351 [0,0,0,0,0,0|2,0,2]=4 8 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,0,0,0|2,0,2]=4 9 B5R1.1 C1CSCN1 BB57-3983 [1,0,0,0,0,0|1,1,1]=4 10 B7R1.1 CCC1CCCN1 BB55-8085 [0,1,0,0,0,0|2,0,1]=4 11 B7R1.1 CNC1CCCC1 BB53-1678 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.1 ClCC1=NCCN1 BB12-2991 [0,1,0,0,0,0|3,0,0]=4 13 B7R1.1 ClCC1CCCN1 BB54-3837 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.1 NCC1CCCO1 BB12-1343 [0,1,0,0,0,0|1,0,1]=3 15 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.2 CC1CNC(=S)N1 BB20-1218 [0,1,0,0,0,0|2,1,0]=4 18 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.2 CN1CC[C@@H](N)C1 BB32-2166 [0,1,0,0,0,0|3,0,0]=4 20 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,0,0,0|1,0,1]=3 21 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,1,0,0,0,0|0,0,2]=3 22 B7R1.2 O=C1CNC(=S)N1 BB20-3124 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.2 O=C1NC(=S)CS1 BB58-2054 [0,1,0,0,0,0|1,1,1]=4 24 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,1,0,0,0,0|0,0,1]=2 25 B7R1.4 NC1CCCC1=O BB58-3328 [0,1,0,0,0,0|1,0,0]=2 26 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.14 O=S1(=O)C=CCC1 BB54-3187 [0,1,0,0,0,0|2,0,1]=4 28 B5R0.1 CC(=O)CC#N BB54-5411 [0,0,1,0,0,0|2,0,1]=4 29 B5R0.1 CCOC(C)=N BB12-3674 [0,0,1,0,0,0|1,0,0]=2 30 B5R0.1 CNCC(C)=O BB12-3010 [0,0,1,0,0,0|2,0,0]=3 31 B5R0.1 CNCC(C)O BB12-1288 [0,0,1,0,0,0|2,0,1]=4 32 B5R0.1 COCC(N)=S BB58-4256 [0,0,1,0,0,0|2,1,0]=4 33 B5R0.1 CS(=O)CCN BB55-5915 [0,0,1,0,0,0|3,0,0]=4 34 B5R0.1 NC(=O)CCO BB58-1090 [0,0,1,0,0,0|2,0,0]=3 35 B5R0.2 C=COCCN BB57-6790 [0,0,1,0,0,0|2,0,0]=3 36 B5R0.2 CCSCCO BB54-1799 [0,0,1,0,0,0|2,0,1]=4 37 B5R0.2 N#CCCCN BB58-1324 [0,0,1,0,0,0|2,0,1]=4 38 B5R0.2 N#CCCCO BB58-5314 [0,0,1,0,0,0|1,0,1]=3 39 B5R0.2 NNCCCO BB58-0747 [0,0,1,0,0,0|2,0,0]=3 40 B5R0.2 OCCCCCl BB54-0721 [0,0,1,0,0,0|1,0,1]=3 41 B5R0.2 [C-]#[N+]CCCC BB56-0718 [0,0,1,0,0,0|3,0,0]=4 42 B5R0.3 CCC(C)NC BB53-1672 [0,0,1,0,0,0|2,0,1]=4 43 B5R0.3 CC\C(N)=N\O BB12-3467 [0,0,1,0,0,0|3,0,0]=4 44 B5R0.3 CNC(=O)CBr BB55-6801 [0,0,1,0,0,0|2,0,0]=3 45 B5R0.3 CNC(=O)CO BB58-0349 [0,0,1,0,0,0|2,0,0]=3 46 B5R0.3 COC(C)CN BB55-4647 [0,0,1,0,0,0|2,0,1]=4 47 B5R0.3 NNC(=O)CO BB12-3095 [0,0,1,0,0,0|3,0,0]=4 48 B5R0.3 NNC(=O)CS BB58-4379 [0,0,1,0,0,0|3,0,0]=4 49 B5R1.2 O=C1CNC1 BB20-3400 [0,0,0,0,1,0|1,0,0]=2 50 B7R1.3 BrC1CCCOC1 BB55-3590 [0,0,0,0,0,1|1,0,1]=3 51 B7R1.3 BrC1CCSCC1 BB57-4184 [0,0,0,0,0,1|2,0,1]=4 52 B7R1.3 CC1=CCNCC1 BB57-2457 [0,0,0,0,0,1|2,0,0]=3 53 B7R1.3 CC1CCOCC1 BB32-2892 [0,0,0,0,0,1|2,0,1]=4 54 B7R1.3 CC1CNCCO1 BB57-2444 [0,0,0,0,0,1|1,0,1]=3 55 B7R1.3 NC1CCCOC1 BB12-2177 [0,0,0,0,0,1|1,0,1]=3 56 B7R1.3 NC1CCNCC1 BB58-0821 [0,0,0,0,0,1|2,0,1]=4 57 B7R1.3 NC1CCOCC1 BB54-3533 [0,0,0,0,0,1|2,0,1]=4 58 B7R1.3 NN1CCSCC1 BB58-0517 [0,0,0,0,0,1|3,0,0]=4 59 B7R1.3 O=C1CNCCN1 BB54-4362 [0,0,0,0,0,1|1,0,0]=2 60 B7R1.3 O=C1CSCCN1 BB20-1255 [0,0,0,0,0,1|1,0,0]=2 61 B7R1.3 OC1CCOCC1 BB12-1171 [0,0,0,0,0,1|1,0,2]=4 62 B7R1.3 OC1CCSCC1 BB53-1540 [0,0,0,0,0,1|1,0,2]=4 63 B4R0.1 CCC(=N)N BB54-4123 [1,0,1,0,0,0|2,0,0]=4 64 B4R0.1 COC(=S)[S-] BB12-3031 [1,0,1,0,0,0|1,1,0]=4 65 B4R0.2 CCCNN BB58-2805 [1,0,1,0,0,0|2,0,0]=4 66 B6R0.1 C#CC(=O)OCC BB53-1426 [0,1,1,0,0,0|0,0,1]=3 67 B6R0.1 CCCC(O)CN BB58-4054 [0,1,1,0,0,0|1,0,1]=4 68 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,1,1,0,0,0|1,0,0]=3 69 B6R0.1 CCNC(=O)CBr BB57-1139 [0,1,1,0,0,0|1,0,0]=3 70 B6R0.1 CCOC(=N)CC BB57-3767 [0,1,1,0,0,0|1,0,0]=3 71 B6R0.1 CCOC(=N)CCl BB57-3987 [0,1,1,0,0,0|1,0,0]=3 72 B6R0.1 CCOC(C)CN BB57-2923 [0,1,1,0,0,0|1,0,1]=4 73 B6R0.1 CNC(=O)CCCl BB12-1619 [0,1,1,0,0,0|2,0,0]=4 74 B6R0.1 CNC(=O)CCN BB12-1715 [0,1,1,0,0,0|2,0,0]=4 75 B6R0.1 CNC(=O)CCO BB12-3660 [0,1,1,0,0,0|2,0,0]=4 76 B6R0.1 CNCC(=O)NC BB01-4880 [0,1,1,0,0,0|2,0,0]=4 77 B6R0.1 CNCC(=O)NN BB12-1497 [0,1,1,0,0,0|2,0,0]=4 78 B6R0.1 CNNC(=O)OC BB58-0264 [0,1,1,0,0,0|2,0,0]=4 79 B6R0.1 COC(=O)CCN BB12-2761 [0,1,1,0,0,0|1,0,0]=3 80 B6R0.1 COC(=O)CCO BB12-1300 [0,1,1,0,0,0|1,0,0]=3 81 B6R0.1 COCC(=O)NN BB55-2156 [0,1,1,0,0,0|2,0,0]=4 82 B6R0.1 COC\C(N)=N\O BB20-4328 [0,1,1,0,0,0|2,0,0]=4 83 B6R0.1 CSC\C(N)=N\O BB12-3469 [0,1,1,0,0,0|2,0,0]=4 84 B6R0.1 N\C(CCO)=N/O BB12-3471 [0,1,1,0,0,0|2,0,0]=4 85 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,1,1,0,0,0|0,0,2]=4 86 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,1,1,0,0,0|2,0,0]=4 87 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,1,1,0,0,0|0,0,0]=2 88 B6R0.2 CC(N)CC(C)O BB58-3424 [0,1,1,0,0,0|1,0,1]=4 89 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,1,1,0,0,0|1,0,1]=4 90 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,1,1,0,0,0|1,0,0]=3 91 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,1,1,0,0,0|1,0,0]=3 92 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,1,1,0,0,0|1,0,0]=3 93 B6R0.3 COC(C)C(=O)O BB57-2927 [0,1,1,0,0,0|1,0,0]=3 94 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,1,0,0,0|1,0,0]=3 95 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,1,1,0,0,0|1,0,0]=3 96 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,1,1,0,0,0|1,0,0]=3 97 B6R0.4 CC(=O)NCC#N BB57-3731 [0,1,1,0,0,0|1,0,1]=4 98 B6R0.4 CCCCC(N)=S BB31-3291 [0,1,1,0,0,0|1,1,0]=4 99 B6R0.4 CCCNC(N)=O BB01-7603 [0,1,1,0,0,0|1,0,0]=3 100 B6R0.4 CCNCC(C)O BB12-1676 [0,1,1,0,0,0|1,0,1]=4 101 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,1,1,0,0,0|1,0,0]=3 102 B6R0.4 CCSCC(=O)O BB12-3264 [0,1,1,0,0,0|0,0,0]=2 103 B6R0.4 CNCCC(=O)O BB12-1452 [0,1,1,0,0,0|0,0,0]=2 104 B6R0.4 COCCC(=O)Cl BB20-1617 [0,1,1,0,0,0|1,0,0]=3 105 B6R0.4 COCCC(C)=O BB58-1056 [0,1,1,0,0,0|1,0,0]=3 106 B6R0.4 CSCCC(=N)N BB12-3715 [0,1,1,0,0,0|2,0,0]=4 107 B6R0.4 N=C(N)CCCCl BB54-4116 [0,1,1,0,0,0|2,0,0]=4 108 B6R0.4 NC(=O)CCCCl BB57-2489 [0,1,1,0,0,0|1,0,0]=3 109 B6R0.4 NCCCC(N)=O BB57-4725 [0,1,1,0,0,0|1,0,0]=3 110 B6R0.5 CCCS(=O)(=O)Cl BB01-7478 [0,1,1,0,0,0|1,0,1]=4 111 B6R0.5 CCNS(=O)(=O)O BB57-2465 [0,1,1,0,0,0|2,0,0]=4 112 B6R0.6 C=CCCCC#N BB12-2224 [0,1,1,0,0,0|2,0,0]=4 113 B6R0.6 CCOCCNC BB57-2926 [0,1,1,0,0,0|1,0,1]=4 114 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [0,1,1,0,0,0|2,0,0]=4 115 B6R1.6 CNC1CCC1 BB58-0080 [0,1,0,0,1,0|1,0,1]=4 116 B6R1.6 NCC1CCC1 BB12-1679 [0,1,0,0,1,0|1,0,1]=4 117 B6R1.10 CC1(N)CCC1 BB57-6091 [0,1,0,0,1,0|1,0,1]=4 118 B8R1.2 BrCC1CCCOC1 BB58-0130 [0,1,0,0,0,1|1,0,1]=4 119 B8R1.2 C#CC1=CCCCC1 BB54-2654 [0,1,0,0,0,1|2,0,0]=4 120 B8R1.2 CCC1CNCCO1 BB58-3597 [0,1,0,0,0,1|1,0,1]=4 121 B8R1.2 CSC1=NCCCN1 BB57-4928 [0,1,0,0,0,1|1,1,0]=4 122 B8R1.2 ClCC1CCCOC1 BB54-3984 [0,1,0,0,0,1|1,0,1]=4 123 B8R1.2 NCC1=CCCCC1 BB58-1949 [0,1,0,0,0,1|2,0,0]=4 124 B8R1.2 NCC1CCCCO1 BB57-5862 [0,1,0,0,0,1|1,0,1]=4 125 B8R1.2 NCC1CCCOC1 BB54-2017 [0,1,0,0,0,1|1,0,1]=4 126 B8R1.2 NCC1CNCCO1 BB58-0819 [0,1,0,0,0,1|1,0,1]=4 127 B8R1.2 NCC1COCCO1 BB01-4608 [0,1,0,0,0,1|1,0,1]=4 128 B8R1.2 NNC1=NCCCN1 BB57-7129 [0,1,0,0,0,1|2,0,0]=4 129 B8R1.2 O=CC1=CCCOC1 BB54-4079 [0,1,0,0,0,1|0,0,1]=3 130 B8R1.2 OCC1CCCOC1 BB12-1755 [0,1,0,0,0,1|0,0,2]=4 131 B8R1.2 OCC1COCCO1 BB58-0092 [0,1,0,0,0,1|0,0,2]=4 132 B8R1.2 ON=C1CCCCC1 BB12-1685 [0,1,0,0,0,1|1,0,1]=4 133 B8R1.3 O=C1C=CC(O)OC1 BB54-5359 [0,1,0,0,0,1|0,0,2]=4 134 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,1,0,0,0,1|1,0,0]=3 135 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [0,1,0,0,0,1|1,0,0]=3 136 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,1,0,0,0,1|1,0,0]=3 137 B8R1.4 O=C1CNCC(=O)N1 BB57-3416 [0,1,0,0,0,1|1,0,1]=4 138 B8R1.4 O=C1COCC(=O)N1 BB57-3413 [0,1,0,0,0,1|1,0,1]=4 139 B8R1.5 CC1=NCCCN1C BB54-0189 [0,1,0,0,0,1|2,0,0]=4 140 B8R1.5 CC1CNCCC1=O BB58-3122 [0,1,0,0,0,1|1,0,0]=3 141 B8R1.5 CC1OCCNC1=O BB58-1681 [0,1,0,0,0,1|1,0,0]=3 142 B8R1.5 CN1CCNCC1=O BB57-1025 [0,1,0,0,0,1|1,0,0]=3 143 B8R1.5 NC1CCCCC1=O BB58-4091 [0,1,0,0,0,1|1,0,0]=3 144 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,0,0,1|1,0,0]=3 145 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,1,0,0,0,1|0,0,0]=2 146 B8R1.72 CC1(C)CNCCO1 BB58-3598 [0,1,0,0,0,1|1,0,1]=4 147 B8R1.72 O=S1(=O)CCNCC1 BB12-1778 [0,1,0,0,0,1|2,0,0]=4 148 B8R1.1 CCC1COC(=O)N1 BB57-3665 [0,2,0,0,0,0|1,0,0]=3 149 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [0,2,0,0,0,0|1,0,0]=3 150 B8R1.1 O=C1CCC(CBr)O1 BB58-1167 [0,2,0,0,0,0|0,0,0]=2 151 B8R1.1 O=C1CCC(CCl)O1 BB54-5256 [0,2,0,0,0,0|0,0,0]=2 152 B8R1.1 O=C1NCC(CBr)S1 BB54-4454 [0,2,0,0,0,0|1,1,0]=4 153 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [0,2,0,0,0,0|1,0,1]=4 154 B8R1.7 CC(N)C1CCCO1 BB05-0765 [0,2,0,0,0,0|1,0,1]=4 155 B8R1.7 CC(N)C1CCCO1 BB55-1059 [0,2,0,0,0,0|1,0,1]=4 156 B8R1.7 NC(=O)C1=NCCN1 BB54-1663 [0,2,0,0,0,0|2,0,0]=4 157 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,2,0,0,0,0|1,0,1]=4 158 B8R1.7 O=C(Cl)C1CCCO1 BB20-1591 [0,2,0,0,0,0|0,0,1]=3 159 B8R1.8 N#CCC1CCCO1 BB54-3910 [0,2,0,0,0,0|1,0,1]=4 160 B8R1.8 NCCC1CCCO1 BB54-3985 [0,2,0,0,0,0|1,0,1]=4 161 B8R1.11 CCC1CCCC1=O BB12-2911 [0,2,0,0,0,0|1,0,0]=3 162 B8R1.11 N#CC1=C(N)CCC1 BB54-2289 [0,2,0,0,0,0|2,0,0]=4 163 B8R1.52 CC1(C#N)CCCO1 BB12-2060 [0,2,0,0,0,0|1,0,1]=4 164 B8R1.52 CC1(CN)CCCO1 BB54-3675 [0,2,0,0,0,0|1,0,1]=4 165 B8R1.18 CN1CC(N)CC1=O BB58-3545 [0,2,0,0,0,0|1,0,0]=3 166 B8R1.50 CN1CCC(Br)C1=O BB58-3454 [0,2,0,0,0,0|1,0,0]=3 167 B8R1.50 CN1CCC(N)C1=O BB58-3639 [0,2,0,0,0,0|1,0,0]=3 168 B8R1.51 CC1(C)CC(=O)CO1 BB58-3838 [0,2,0,0,0,0|2,0,0]=4 169 B8R1.51 CC1(C)CC(N)CO1 BB58-3775 [0,2,0,0,0,0|1,0,1]=4 170 B8R1.51 CC1(C)CC(O)CO1 BB58-3837 [0,2,0,0,0,0|1,0,1]=4 171 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.51 CC1(C)CNC(=O)C1 BB58-3757 [0,2,0,0,0,0|1,0,0]=3 173 B8R1.51 CC1(C)COC(=O)N1 BB12-2312 [0,2,0,0,0,0|1,0,0]=3 174 B8R1.51 NC1CCS(=O)(=O)C1 BB12-2525 [0,2,0,0,0,0|2,0,0]=4 175 B8R1.19 CC1(C)OCCC1=O BB58-3943 [0,2,0,0,0,0|2,0,0]=4 176 B8R1.19 CC1(C)OCCC1N BB58-3942 [0,2,0,0,0,0|1,0,1]=4 177 B8R1.19 ClC1OCCC1(Cl)Cl BB12-2275 [0,2,0,0,0,0|1,0,1]=4 178 B6R1.11 N=C(N)C1CC1 BB53-1675 [0,0,1,1,0,0|2,0,0]=4 179 B6R1.11 NC(=S)C1CC1 BB12-3485 [0,0,1,1,0,0|1,1,0]=4 180 B6R1.1 C1CCONC1 BB57-1044 [0,0,1,1,0,0|1,0,1]=4 181 B8R2.25 C1COC2CC2N1 BB32-0163 [0,0,0,1,0,1|1,0,1]=4 182 B8R1.22 CC1CNCCCO1 BB58-0305 [0,0,0,0,0,2|1,0,1]=4 183 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,0,0,2|1,0,0]=3 184 B8R1.22 O=C1CCSCCN1 BB57-4185 [0,0,0,0,0,2|1,0,0]=3