0 B7R0.4 CC(=O)NCCCN BB32-2735 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 CC(=O)NCCCO BB12-3384 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 CC(C)CCCCO BB12-2305 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(C)NCCCO BB55-6367 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CCCCNC(C)C BB55-6366 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CCCNCC(=O)O BB20-0186 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.4 CCCNCC(C)O BB58-2124 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.4 CCCOCC(=O)O BB55-7872 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.4 CCCSCC(=O)O BB12-3263 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.4 CCSCCC(=O)O BB12-3270 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.4 NC(=O)CSCCO BB53-1357 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.4 O=C(O)CNCCO BB58-1263 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CC(=O)NCC#N BB57-3731 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CCCCC(N)=S BB31-3291 [1,0,0,0,0,0|1,1,0]=3 15 B6R0.4 CCCNC(N)=O BB01-7603 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 CCNCC(C)O BB12-1676 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CCOCC(=O)Cl BB01-8267 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 COCCC(=O)Cl BB20-1617 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 COCCC(C)=O BB58-1056 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CSCCC(=N)N BB12-3715 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 N=C(N)CCCCl BB54-4116 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 NC(=O)CCCCl BB57-2489 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.4 NCCCC(N)=O BB57-4725 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.6 CCCCCNC BB57-3734 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.6 CCCCCNN BB12-2485 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.6 CCOCCNC BB57-2926 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.6 CCSCCNC BB12-0971 [1,0,0,0,0,0|1,1,1]=4 30 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.5 COCC(=O)CC(C)=O BB58-1952 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.6 CCNCCC(=O)NN BB12-1383 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.6 COCCCC(=O)OC BB57-3708 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.7 CC(=O)CCCOC=O BB54-0059 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.7 CCCCNCC(=O)O BB20-0185 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.7 COCCCNC(N)=O BB01-7612 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.8 CC(=O)N(C)CCC#N BB54-0148 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.9 CC(C)OCC(O)CN BB58-4225 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.21 CS(=O)(=O)NCCCN BB12-2137 [0,1,0,0,0,0|3,0,0]=4 47 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [0,1,0,0,0,0|3,0,0]=4 48 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.1 CCC1COC(=O)N1 BB57-3665 [0,0,0,1,0,0|1,0,0]=2 50 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.1 O=C1CCC(CBr)O1 BB58-1167 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.1 O=C1CCC(CCl)O1 BB54-5256 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.1 O=C1NCC(CBr)S1 BB54-4454 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [0,0,0,1,0,0|1,0,0]=2 57 B8R1.7 CC(C)N1CCCC1 BB55-7114 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.7 O=C(Cl)C1CCCO1 BB20-1591 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.19 CC1(C)OCCC1N BB58-3942 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.19 CC1CCNC1(C)C BB57-7206 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.22 CC1CCCCCN1 BB12-3099 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.22 CC1CNCCCO1 BB58-0305 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.22 O=C1CCSCCN1 BB57-4185 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.34 O=C(O)CC1CCC1 BB55-4828 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.35 O=C(O)C#CC1CC1 BB58-3544 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.72 CC1(C)CNCCO1 BB58-3598 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.72 CC1(N)CCCCC1 BB58-0624 [0,0,0,1,0,0|2,0,1]=4 70 B5R0.1 CC(=O)CC#N BB54-5411 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.1 CCOC(C)=N BB12-3674 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.1 CNCC(C)=O BB12-3010 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.1 CS(=O)CCN BB55-5915 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 NC(=O)CCO BB58-1090 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.2 C=COCCN BB57-6790 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.2 CNCCSC BB57-4145 [2,0,0,0,0,0|1,1,0]=4 77 B5R0.2 COCCNN BB58-0266 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.2 [C-]#[N+]CCCC BB56-0718 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.2 [C-]#[N+]CCOC BB56-1837 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.2 CCC(C)NC(N)=O BB01-7615 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.2 CCN(C)CC(=O)O BB12-1321 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.2 CCN(C)CC(C)=O BB12-2316 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.2 CNC(C)CC(=O)O BB12-1285 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.3 CCC(=O)NCCN BB12-2323 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.3 CCCCC(=O)NN BB12-2550 [1,1,0,0,0,0|1,0,0]=3 86 B7R0.3 CCCCC(N)CO BB56-2048 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.3 CCCOC(C)CN BB55-6921 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.3 CNC(=O)CCCN BB55-7167 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.3 CNCCC(=O)NC BB12-1428 [1,1,0,0,0,0|1,0,0]=3 91 B7R0.3 COCCC(=O)NN BB20-4502 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.3 NNC(=O)CCCO BB55-4806 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.3 O=C(CCl)NCCCl BB57-4227 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.5 CC(=O)N(C)CCO BB55-7164 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.6 C=C(C)COC(C)=O BB12-2984 [1,1,0,0,0,0|0,0,1]=3 98 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.6 CC(C)CNC(N)=O BB01-7595 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.6 CC(C)SCC(=O)O BB12-3365 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.6 CC(N)CCN(C)C BB57-2247 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.6 CN(C)CCC(=O)O BB55-3488 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.8 CS(=O)(=O)CCCO BB57-2922 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.1 CCCCOCCN BB53-1642 [1,1,0,0,0,0|0,0,1]=3 105 B7R0.1 CCCCSCCN BB57-6671 [1,1,0,0,0,0|0,1,1]=4 106 B7R0.1 CCCCSCCO BB54-1800 [1,1,0,0,0,0|0,1,1]=4 107 B7R0.1 CCNCCNCC BB57-6994 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.7 CCCC(N)CCC BB54-4015 [1,1,0,0,0,0|1,0,1]=4 109 B9R0.34 COCC(C)NC(=O)CCl BB17-2020 [0,2,0,0,0,0|2,0,0]=4 110 B9R0.5 CCNCCC(=O)OCC BB12-1650 [0,2,0,0,0,0|2,0,0]=4 111 B9R0.5 N#CCC(=O)NCCCO BB17-1789 [0,2,0,0,0,0|2,0,0]=4 112 B9R0.8 COC(=O)C(N)CCCN BB57-6639 [0,2,0,0,0,0|2,0,0]=4 113 B9R0.46 CCCCCCC(=O)NN BB12-1542 [0,2,0,0,0,0|2,0,0]=4 114 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [0,2,0,0,0,0|2,0,0]=4 115 B9R0.2 CCCCSCCC(=O)O BB54-0237 [0,2,0,0,0,0|1,1,0]=4 116 B9R0.2 CCOCCCNC(N)=O BB01-7613 [0,2,0,0,0,0|2,0,0]=4 117 B9R0.55 CC(=O)CCCOC(C)=O BB54-0058 [0,2,0,0,0,0|0,0,0]=2 118 B9R0.55 CC(=O)NCCNC(C)=O BB20-3038 [0,2,0,0,0,0|1,0,1]=4 119 B7R1.2 CC1CNC(=O)C1 BB58-5429 [1,0,0,1,0,0|1,0,0]=3 120 B7R1.2 CC1CNC(=O)O1 BB57-3655 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.2 CC1COC(=O)N1 BB57-2454 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.3 CC1=CCNCC1 BB57-2457 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 O=C1CNCCN1 BB54-4362 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.3 O=C1CSCCN1 BB20-1255 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.18 O=C(O)C1CCN1 BB57-4884 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.18 O=C(O)C1CCO1 BB31-4760 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.1 CNC1CCCC1 BB53-1678 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.4 NC1CCCC1=O BB58-3328 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.4 NC1CCNC1=O BB12-2184 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.6 CNCC1CCC1 BB12-1623 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.24 C1CNCCOC1 BB57-0752 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.7 CCCC1CNC(=O)C1 BB55-7002 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.13 O=C(O)CC1CCCO1 BB54-2725 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.34 CC1CC(=O)C=C(N)C1 BB58-3335 [0,1,0,1,0,0|1,0,1]=4 139 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.137 CC(=O)CC(=O)C1CC1 BB12-3707 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.171 CC(=O)NC1(C)CCC1 BB57-5820 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.2 CCN1CCNC(=O)C1 BB57-3671 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.2 NCC1CCNC(=O)C1 BB31-2480 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.3 CC1C(=O)NCCN1C BB57-3770 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.11 CNC(=O)C1CCCC1 BB12-1626 [0,1,0,1,0,0|1,0,0]=3 148 B9R1.11 CNC(=O)C1CCCN1 BB58-0643 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.11 COC(=O)C1CCCC1 BB12-2996 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.11 NCC(=O)N1CCCC1 BB57-2442 [0,1,0,1,0,0|1,0,0]=3 151 B9R1.11 NNC(=O)C1CCCC1 BB12-2640 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.49 CC1CCNC(=O)CC1 BB58-4537 [0,1,0,1,0,0|1,0,0]=3 153 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.49 CN1CCNC(=O)CC1 BB57-3646 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,1,0,1,0,0|1,0,0]=3 156 B9R1.79 COC(=O)CC1CCC1 BB31-7337 [0,1,0,1,0,0|1,0,0]=3 157 B9R1.80 O=C(CCl)NCC1CC1 BB32-2854 [0,1,0,1,0,0|1,0,0]=3 158 B9R1.6 CC(C)=C1CCNCC1 BB12-2924 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.6 NC(=O)C1CCOCC1 BB55-7979 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.6 NC(=O)C1CNCCO1 BB58-4215 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.6 NC(=O)[C@@H]1CCCNC1 BB31-2173 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [0,1,0,1,0,0|1,0,0]=3 165 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.6 O=C(O)C1COCCO1 BB58-3665 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.24 CC1(C)OCCC1CN BB58-3840 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.24 CC1(C)OCCC1CO BB58-3834 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,1,0,1,0,0|1,1,0]=4 173 B9R1.148 CC1(C)CNCCCO1 BB58-3765 [0,1,0,1,0,0|1,0,1]=4 174 B9R1.35 CC(=O)N1CCC(O)C1 BB58-2199 [0,1,0,1,0,0|1,0,0]=3 175 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.10 CC1(C)CCC(N)CO1 BB58-3788 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.125 CC1(CO)COC(=O)N1 BB58-5091 [0,1,0,1,0,0|2,0,0]=4 178 B9R2.139 O=C1CC2(CC2)CN1 BB58-3835 [0,0,0,2,0,0|1,0,0]=3 179 B9R2.109 O=C1CCCC2CC12 BB32-3528 [0,0,0,2,0,0|1,0,0]=3