0 B5R0.1 C=C(C)CNN BB57-2407 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CC(=O)CC#N BB54-5411 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(N)CCO BB57-1076 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(O)CNN BB58-3435 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CCOC(C)=N BB12-3674 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 CNCC(C)=O BB12-3010 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 CNCC(C)O BB12-1288 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 COCC(N)=S BB58-4256 [0,0,0,0,0,0|3,1,0]=4 8 B5R0.1 CS(=O)CCN BB55-5915 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 N#CCC(N)=S BB56-1845 [0,0,0,0,0,0|1,1,2]=4 10 B5R0.1 NC(=O)CCO BB58-1090 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CCC(=N)N BB54-4123 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 COC(=S)[S-] BB12-3031 [1,0,0,0,0,0|1,2,0]=4 13 B4R0.1 CSC(=N)N BB01-6974 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 NC(=S)CO BB58-2954 [1,0,0,0,0,0|2,1,0]=4 15 B4R0.2 C#CCON BB31-7679 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 CCCNN BB58-2805 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 CNCCCl BB57-4776 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.2 CNCCI BB57-4692 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 C#CC(=O)OCC BB53-1426 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.1 CC(CN)CCN BB12-1906 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 CCCC(O)CN BB58-4054 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.1 CCNC(=O)CBr BB57-1139 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 CNC(=O)CC#N BB12-1423 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.1 CNC(=O)CCCl BB12-1619 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.1 CNC(=O)CCN BB12-1715 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.1 CNC(=O)CCO BB12-3660 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 CNCC(=O)NC BB01-4880 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CNCC(=O)NN BB12-1497 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 CNNC(=O)OC BB58-0264 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 COC(=O)CCN BB12-2761 [0,1,0,0,0,0|0,0,0]=1 34 B6R0.1 COC(=O)CCO BB12-1300 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.1 COC(C)CCN BB57-3649 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.1 COCC(=O)NN BB55-2156 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.1 COC\C(N)=N\O BB20-4328 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.1 CSC\C(N)=N\O BB12-3469 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 N#CC\C(N)=N/O BB58-1066 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.1 N\C(CCO)=N/O BB12-3471 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,1,0,0,0,0|0,0,0]=1 45 B6R0.2 CC(N)CC(C)O BB58-3424 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,1,0,0,0,0|0,0,1]=2 47 B6R0.2 NC(=O)C[N+](=O)[O-] BB54-0037 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.3 CC(C)C(O)CN BB58-1333 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 CC(CN)N(C)C BB12-3256 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.3 COC(C)C(=O)O BB57-2927 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.3 N#CC(N)C(N)=O BB54-0378 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.3 NNC(=O)C(N)=O BB12-2523 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.4 CC(=O)NCC#N BB57-3731 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.4 CC(C)SCCN BB53-1544 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.4 CCCCC(N)=S BB31-3291 [0,1,0,0,0,0|2,1,0]=4 63 B6R0.4 CCCNC(N)=O BB01-7603 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.4 CCNCC(C)O BB12-1676 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.4 CCSCC(=O)O BB12-3264 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.4 CNCCC(=O)O BB12-1452 [0,1,0,0,0,0|0,0,0]=1 68 B6R0.4 COCCC(=O)Cl BB20-1617 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.4 COCCC(C)=O BB58-1056 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.4 CSCCC(=N)N BB12-3715 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.4 N=C(N)CCCCl BB54-4116 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.4 NC(=O)CCCCl BB57-2489 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.4 NCCCC(N)=O BB57-4725 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.4 NCCNC(N)=S BB58-1242 [0,1,0,0,0,0|1,1,0]=3 75 B6R0.5 CC(C)(O)CCN BB57-2241 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.5 CC(C)(O)CNN BB58-0368 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.5 CCCS(=O)(=O)Cl BB01-7478 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.5 CCNS(=O)(=O)O BB57-2465 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.5 CS(=O)(=O)CCCl BB53-1551 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.5 CS(=O)(=O)CCN BB53-1620 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.5 CS(=O)(=O)CCO BB53-1360 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.5 NCCS(N)(=O)=O BB54-3662 [0,1,0,0,0,0|1,0,1]=3 83 B6R1.2 OC1=CNN=C1 BB58-1357 [0,0,0,1,0,0|2,0,1]=4 84 B6R1.2 OC1CNOC1 BB12-1709 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,1,0,0|1,0,1]=3 86 B6R1.11 N=C(N)C1CC1 BB53-1675 [0,0,0,1,0,0|3,0,0]=4 87 B6R1.11 NC(=S)C1CC1 BB12-3485 [0,0,0,1,0,0|2,1,0]=4 88 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|1,0,0]=3 89 B3R0.1 N\C=N/O BB12-3512 [2,0,0,0,0,0|1,0,1]=4 90 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|2,0,0]=4 91 B3R0.2 CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|1,0,1]=4 92 B3R0.2 N[13C](N)=O BB54-5648 [2,0,0,0,0,0|1,0,0]=3 93 B5R0.3 CC(CN)CO BB57-2245 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.3 CC\C(N)=N\O BB12-3467 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.3 CNC(=O)CBr BB55-6801 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.3 CNC(=O)CO BB58-0349 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.3 COC(C)CN BB55-4647 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.3 NNC(=O)CO BB12-3095 [1,1,0,0,0,0|1,0,0]=3 99 B5R0.3 NNC(=O)CS BB58-4379 [1,1,0,0,0,0|1,1,0]=4 100 B5R0.3 N\C(CCl)=N/O BB57-3706 [1,1,0,0,0,0|2,0,0]=4 101 B5R0.3 N\C(CO)=N\O BB57-2423 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.5 CC(C)C(=N)N BB20-1445 [1,1,0,0,0,0|2,0,0]=4 103 B5R0.5 CC(Cl)C(N)=O BB12-1307 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.5 CC(O)C(=N)N BB58-0260 [1,1,0,0,0,0|2,0,0]=4 105 B5R0.2 C=COCCN BB57-6790 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.2 CCSCCN BB53-1545 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.2 CCSCCO BB54-1799 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.2 CNCCSC BB57-4145 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.2 COCCNN BB58-0266 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.2 N#CCCCN BB58-1324 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.2 N#CCCCO BB58-5314 [1,1,0,0,0,0|0,0,2]=4 112 B5R0.2 NNCCCO BB58-0747 [1,1,0,0,0,0|0,0,1]=3 113 B5R0.2 OCCCCCl BB54-0721 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.2 CC(C)CC(=O)NN BB12-2655 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.2 CCC(C)NC(N)=O BB01-7615 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [0,2,0,0,0,0|0,0,1]=3 119 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,2,0,0,0,0|0,0,0]=2 121 B7R0.2 COC(=O)C[N+](=O)[O-] BB54-0206 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.3 CCC(=O)NCCN BB12-2323 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.3 CCCCC(=O)NN BB12-2550 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.3 CNC(=O)CCCN BB55-7167 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.3 CNCCC(=O)NC BB12-1428 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.3 COCCC(=O)NN BB20-4502 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.3 COCC\C(N)=N\O BB12-3470 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.3 NNC(=O)CCCO BB55-4806 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.3 O=C(CCl)NCCCl BB57-4227 [0,2,0,0,0,0|2,0,0]=4 130 B7R0.5 CC(=O)N(C)CCO BB55-7164 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|1,0,0]=3 134 B7R0.5 CN(C)C(=O)CCCl BB12-1527 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.5 CN(C)C(=O)CCN BB57-3998 [0,2,0,0,0,0|1,0,0]=3 136 B7R0.5 CN(C)C(=O)CCO BB12-3663 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|0,0,0]=2 138 B7R0.7 CCOC(=N)CCCl BB12-2325 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.7 CCOC(=O)CCO BB12-1446 [0,2,0,0,0,0|1,0,0]=3 140 B7R0.7 CCOC(=O)CNN BB05-1938 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.7 CN(CCN)CCO BB58-1912 [0,2,0,0,0,0|2,0,0]=4 142 B7R0.7 O=S(CCO)CCO BB54-0247 [0,2,0,0,0,0|2,0,0]=4 143 B7R0.7 [C-]#[N+]CC(=O)OCC BB56-1762 [0,2,0,0,0,0|2,0,0]=4 144 B7R0.10 CCC(C)C(=O)NN BB55-8843 [0,2,0,0,0,0|2,0,0]=4 145 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,2,0,0,0,0|1,0,0]=3 146 B7R0.10 CNC(C)C(=O)OC BB57-2496 [0,2,0,0,0,0|2,0,0]=4 147 B7R0.10 COC(=O)C(=O)NN BB55-7573 [0,2,0,0,0,0|1,0,1]=4 148 B7R0.10 COC(=O)C(O)CCl BB57-4961 [0,2,0,0,0,0|1,0,0]=3 149 B7R0.11 CCS(=O)(=O)CCN BB53-1627 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.11 CNS(=O)(=O)CCN BB54-3246 [0,2,0,0,0,0|1,0,1]=4 151 B7R0.11 COC(C)(C)CCN BB12-2310 [0,2,0,0,0,0|1,0,1]=4 152 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,2,0,0,0,0|2,0,0]=4 154 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [0,2,0,0,0,0|1,0,0]=3 155 B7R0.13 COC(C)(C)C(=O)O BB57-1085 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.14 CC(C)(O)C(O)CN BB58-0361 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.15 CCC(CN)C(=O)O BB58-3841 [0,2,0,0,0,0|0,0,0]=2 158 B7R0.15 CCC(NC)C(=O)O BB57-2477 [0,2,0,0,0,0|1,0,0]=3 159 B7R0.15 CCC(NC)C(N)=O BB57-1806 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.15 CCC(OC)C(=O)O BB57-2928 [0,2,0,0,0,0|1,0,0]=3 161 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,2,0,0,0,0|1,0,0]=3 162 B7R0.4 CC(=O)NCCCN BB32-2735 [0,2,0,0,0,0|1,0,0]=3 163 B7R0.4 CC(=O)NCCCO BB12-3384 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.4 CCCNCC(=O)O BB20-0186 [0,2,0,0,0,0|1,0,0]=3 165 B7R0.4 CCCOCC(=O)O BB55-7872 [0,2,0,0,0,0|1,0,0]=3 166 B7R0.4 CCCSCC(=O)O BB12-3263 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.4 CCSCCC(=O)O BB12-3270 [0,2,0,0,0,0|1,0,0]=3 169 B7R0.4 NC(=O)CSCCO BB53-1357 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.4 O=C(O)CNCCO BB58-1263 [0,2,0,0,0,0|1,0,0]=3 171 B7R0.6 CC(C)CNC(N)=O BB01-7595 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,2,0,0,0,0|0,0,0]=2 174 B7R0.6 N=C(N)SCC(=O)O BB55-4565 [0,2,0,0,0,0|0,0,1]=3 175 B7R0.6 N=C(N)SCC(N)=O BB57-4170 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.8 CNCCS(=O)(=O)O BB57-6681 [0,2,0,0,0,0|1,0,0]=3 177 B7R0.8 CS(=O)(=O)NCCN BB12-2754 [0,2,0,0,0,0|1,0,1]=4 178 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,0]=3 179 B5R1.1 C1CSCN1 BB57-3983 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,1,0,1,0,0|1,0,0]=3 182 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.2 NC1=CC(=O)NO1 BB54-5766 [0,1,0,1,0,0|0,0,2]=4 184 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,1,0,1,0,0|1,0,0]=3 186 B7R1.3 CC1=CCNCC1 BB57-2457 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.3 O=C1CNCCN1 BB54-4362 [0,1,0,1,0,0|1,0,0]=3 188 B7R1.3 O=C1CSCCN1 BB20-1255 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.4 NC1CCCC1=O BB58-3328 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|1,0,1]=4 191 B7R1.22 COC(=O)C1CN1 BB58-4742 [0,1,0,1,0,0|0,0,0]=2 192 B7R1.22 N\C(=N/O)C1CC1 BB10-0038 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.22 O=C(CBr)C1CC1 BB55-6968 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,1,0,1,0,0|1,0,0]=3 195 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|2,0,0]=4 197 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,1,0,1,0,0|0,0,0]=2 198 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,1,0,1,0,0|1,0,0]=3 199 B7R1.19 NC(=O)C1(N)CC1 BB58-3762 [0,1,0,1,0,0|2,0,0]=4