0 B6R0.4 CC(=O)NCC#N BB57-3731 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 CC(C)SCCCl BB53-1373 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.4 CC(C)SCCN BB53-1544 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 CC(C)SCCO BB53-1392 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 CCCCC(N)=S BB31-3291 [0,0,0,0,0,0|2,1,0]=3 5 B6R0.4 CCCNC(N)=O BB01-7603 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CCNCC(C)O BB12-1676 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 CCSCC(=O)O BB12-3264 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 CNCCC(=O)O BB12-1452 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.4 COCCC(=O)Cl BB20-1617 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 COCCC(C)=O BB58-1056 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.4 CSCCC(=N)N BB12-3715 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 N=C(N)CCCCl BB54-4116 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 NC(=O)CCCCl BB57-2489 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 NCCCC(N)=O BB57-4725 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 NCCNC(N)=S BB58-1242 [0,0,0,0,0,0|3,1,0]=4 17 B5R0.1 C=C(C)CNN BB57-2407 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CC(=O)CC#N BB54-5411 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CC(N)CCO BB57-1076 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CCOC(C)=N BB12-3674 [1,0,0,0,0,0|1,1,0]=3 21 B5R0.1 CNCC(C)=O BB12-3010 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CNCC(C)O BB12-1288 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 COCC(N)=S BB58-4256 [1,0,0,0,0,0|2,1,0]=4 24 B5R0.1 CS(=O)CCN BB55-5915 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 NC(=O)CCO BB58-1090 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 C=COCCN BB57-6790 [1,0,0,0,0,0|1,1,1]=4 27 B5R0.2 CCSCCN BB53-1545 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.2 CCSCCO BB54-1799 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.2 CNCCSC BB57-4145 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.2 CCC(C)NC(N)=O BB01-7615 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.3 C=CCNC(=O)CCl BB17-2019 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.3 CCC(=O)NCCN BB12-2323 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.3 CCCCC(=O)NN BB12-2550 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.3 CCCCC(N)CO BB56-2048 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.3 CCCOC(C)CN BB55-6921 [0,1,0,0,0,0|1,1,1]=4 40 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.3 CNC(=O)CCCN BB55-7167 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.3 CNCCC(=O)NC BB12-1428 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.3 COCCC(=O)NN BB20-4502 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.3 NNC(=O)CCCO BB55-4806 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.3 O=C(CCl)NCCCl BB57-4227 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.4 CC(=O)NCCCN BB32-2735 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.4 CC(=O)NCCCO BB12-3384 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.4 CC(C)CCCCO BB12-2305 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.4 CC(C)NCCCO BB55-6367 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.4 CCCCNC(C)C BB55-6366 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.4 CCCNCC(=O)O BB20-0186 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.4 CCCNCC(C)O BB58-2124 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.4 CCCOCC(=O)O BB55-7872 [0,1,0,0,0,0|1,1,0]=3 55 B7R0.4 CCCSCC(=O)O BB12-3263 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.4 CCSCCC(=O)O BB12-3270 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.4 NC(=O)CSCCO BB53-1357 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.4 O=C(O)CNCCO BB58-1263 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.5 CC(=O)N(C)CCO BB55-7164 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,1,0,0,0,0|0,1,1]=3 65 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,1,0,0,0,0|1,1,1]=4 66 B7R0.6 CC(C)CNC(C)C BB12-1371 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.6 CC(C)CNC(N)=O BB01-7595 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.6 CC(N)CCN(C)C BB57-2247 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.6 CC(O)CNC(C)C BB58-2123 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.8 CC(C)(C)SCCN BB58-0595 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.8 CS(=O)(=O)CCCO BB57-2922 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.8 CS(=O)(=O)NCCN BB12-2754 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 CC1CNC(=S)N1 BB20-1218 [0,0,0,1,0,0|2,1,0]=4 78 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,0,0,1,0,0|1,1,0]=3 79 B7R1.2 O=C1NC(=S)CS1 BB58-2054 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.3 CC1=CCNCC1 BB57-2457 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.3 O=C1CNCCN1 BB54-4362 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.3 O=C1CSCCN1 BB20-1255 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.7 CCCNC1CC1 BB55-3599 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [0,0,0,1,0,0|2,0,0]=3 89 B4R0.1 CCC(=N)N BB54-4123 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 CSC(=N)N BB01-6974 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.2 CCCNN BB58-2805 [2,0,0,0,0,0|2,0,0]=4 92 B4R0.2 CNCCCl BB57-4776 [2,0,0,0,0,0|2,0,0]=4 93 B4R0.2 CNCCI BB57-4692 [2,0,0,0,0,0|2,0,0]=4 94 B4R0.2 CSCCCl BB53-1396 [2,0,0,0,0,0|1,0,0]=3 95 B4R0.2 CSCCN BB12-0970 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.1 C#CC(=O)OCC BB53-1426 [1,1,0,0,0,0|0,1,1]=4 97 B6R0.1 CCCC(O)CN BB58-4054 [1,1,0,0,0,0|0,0,2]=4 98 B6R0.1 CCC\C(N)=N\O BB10-0037 [1,1,0,0,0,0|1,0,1]=4 99 B6R0.1 CCNC(=O)CBr BB57-1139 [1,1,0,0,0,0|1,0,0]=3 100 B6R0.1 CCOC(=N)CC BB57-3767 [1,1,0,0,0,0|1,1,0]=4 101 B6R0.1 CCOC(=N)CCl BB57-3987 [1,1,0,0,0,0|1,1,0]=4 102 B6R0.1 CNC(=O)CC#N BB12-1423 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.1 CNC(=O)CCCl BB12-1619 [1,1,0,0,0,0|1,0,0]=3 104 B6R0.1 CNC(=O)CCN BB12-1715 [1,1,0,0,0,0|1,0,0]=3 105 B6R0.1 CNC(=O)CCO BB12-3660 [1,1,0,0,0,0|1,0,0]=3 106 B6R0.1 CNCC(=O)NC BB01-4880 [1,1,0,0,0,0|1,0,0]=3 107 B6R0.1 CNCC(=O)NN BB12-1497 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.1 CNNC(=O)OC BB58-0264 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.1 COC(=O)CCN BB12-2761 [1,1,0,0,0,0|1,0,0]=3 110 B6R0.1 COC(=O)CCO BB12-1300 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.1 COCC(=O)NN BB55-2156 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.2 CC(C)NC(N)=O BB01-7616 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.2 CC(N)CC(=O)O BB12-2890 [1,1,0,0,0,0|1,0,0]=3 114 B6R0.2 CC(N)CC(C)O BB58-3424 [1,1,0,0,0,0|0,0,2]=4 115 B6R0.2 O=C(O)CC(F)F BB31-2950 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.3 CCC(Br)C(N)=O BB55-8830 [1,1,0,0,0,0|1,0,0]=3 117 B6R0.3 CNC(C)C(=O)O BB57-2982 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.3 COC(C)C(=O)O BB57-2927 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.3 CSC(C)C(=O)O BB12-2671 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.3 NC(CCl)C(=O)O BB57-2456 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.3 O=C(O)C(O)CCl BB57-6579 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.5 CCCS(=O)(=O)Cl BB01-7478 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.5 CS(=O)(=O)CCCl BB53-1551 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.5 CS(=O)(=O)CCN BB53-1620 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.5 CS(=O)(=O)CCO BB53-1360 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.6 CCCCCNC BB57-3734 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.6 CCCSCCN BB53-1582 [1,1,0,0,0,0|0,0,1]=3 128 B6R0.6 CCOCCNC BB57-2926 [1,1,0,0,0,0|0,1,1]=4 129 B6R0.6 CCSCCNC BB12-0971 [1,1,0,0,0,0|0,0,1]=3 130 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,2,0,0,0,0|2,0,0]=4 131 B8R0.5 COCC(=O)CC(C)=O BB58-1952 [0,2,0,0,0,0|1,0,1]=4 132 B8R0.23 CC(=O)CC(=O)C(C)C BB12-3661 [0,2,0,0,0,0|1,0,1]=4 133 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,2,0,0,0,0|2,0,0]=4 134 B8R0.23 CC(C)[C@H](N)CC(=O)O BB01-8380 [0,2,0,0,0,0|2,0,0]=4 135 B8R0.1 CCCCS(=O)CCO BB54-4315 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.1 CCOC(=O)CCNC BB57-3648 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.3 CCCC(N)C(=O)NC BB55-8840 [0,2,0,0,0,0|1,0,0]=3 138 B8R0.3 CCOC(=O)C(=O)CC BB12-2925 [0,2,0,0,0,0|2,0,0]=4 139 B8R0.6 CCNCCC(=O)NN BB12-1383 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.6 COCCCC(=O)OC BB57-3708 [0,2,0,0,0,0|1,0,0]=3 141 B8R0.8 CC(=O)N(C)CCC#N BB54-0148 [0,2,0,0,0,0|1,0,1]=4 142 B8R0.8 CC(C)C(=O)NCCN BB32-2419 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [0,2,0,0,0,0|1,0,0]=3 144 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,2,0,0,0,0|2,0,0]=4 145 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [0,2,0,0,0,0|0,1,1]=4 146 B8R0.8 CN(C)C(=O)CCCCl BB12-3613 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.8 CNCCC(=O)N(C)C BB31-8274 [0,2,0,0,0,0|2,0,0]=4 148 B8R0.9 CC(C)CNC(=O)CBr BB57-1141 [0,2,0,0,0,0|1,0,0]=3 149 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,2,0,0,0,0|2,0,0]=4 150 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,2,0,0,0,0|2,0,0]=4 151 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,2,0,0,0,0|2,0,0]=4 152 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,2,0,0,0,0|2,0,0]=4 153 B8R0.11 CCOC=C(C=O)CC BB58-5315 [0,2,0,0,0,0|2,0,0]=4 154 B8R0.7 CC(=O)CCCOC=O BB54-0059 [0,2,0,0,0,0|1,0,1]=4 155 B8R0.7 CCCCNCC(=O)O BB20-0185 [0,2,0,0,0,0|2,0,0]=4 156 B8R0.7 COCCCNC(N)=O BB01-7612 [0,2,0,0,0,0|2,0,0]=4 157 B8R0.21 CS(=O)(=O)NCCCN BB12-2137 [0,2,0,0,0,0|2,0,0]=4 158 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [0,2,0,0,0,0|2,0,0]=4 159 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,2,0,0,0,0|2,0,0]=4 160 B8R0.15 CCCC(NC)C(=O)O BB57-2495 [0,2,0,0,0,0|2,0,0]=4 161 B8R0.29 CC(C)(C)CCC(=O)O BB57-2925 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.29 CC(C)(N)CCC(=O)O BB12-1634 [0,2,0,0,0,0|2,0,0]=4 163 B6R1.2 CC1=NCCN1 BB01-8036 [1,0,0,1,0,0|2,0,0]=4 164 B6R1.10 CC1(N)CCC1 BB57-6091 [1,0,0,1,0,0|1,0,1]=4 165 B6R1.11 CC(N)C1CC1 BB05-4551 [1,0,0,1,0,0|1,0,1]=4 166 B6R1.11 CC(N)C1CC1 BB55-7032 [1,0,0,1,0,0|1,0,1]=4 167 B6R1.11 N=C(N)C1CC1 BB53-1675 [1,0,0,1,0,0|2,0,0]=4 168 B6R1.11 NC(=S)C1CC1 BB12-3485 [1,0,0,1,0,0|1,1,0]=4 169 B6R1.1 C1CCONC1 BB57-1044 [1,0,0,1,0,0|1,1,0]=4 170 B6R1.6 CNC1CCC1 BB58-0080 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.1 CCC1COC(=O)N1 BB57-3665 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.1 O=C1CCC(CBr)O1 BB58-1167 [0,1,0,1,0,0|1,1,0]=4 174 B8R1.1 O=C1CCC(CCl)O1 BB54-5256 [0,1,0,1,0,0|1,1,0]=4 175 B8R1.1 O=C1NCC(CBr)S1 BB54-4454 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.18 CN1CC(N)CC1=O BB58-3545 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.34 O=C(O)CC1CCC1 BB55-4828 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.40 O=C(CCl)NC1CC1 BB53-1318 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.51 CC1(C)CC(=O)CO1 BB58-3838 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.51 CC1(C)CNC(=O)C1 BB58-3757 [0,1,0,1,0,0|1,0,0]=3 184 B8R1.51 CC1(C)COC(=O)N1 BB12-2312 [0,1,0,1,0,0|1,1,0]=4 185 B8R1.2 C#CC1=CCCCC1 BB54-2654 [0,1,0,1,0,0|2,0,0]=4 186 B8R1.2 CSC1=NCCCN1 BB57-4928 [0,1,0,1,0,0|2,0,0]=4 187 B8R1.2 NCC1=CCCCC1 BB58-1949 [0,1,0,1,0,0|2,0,0]=4 188 B8R1.2 O=CC1=CCCOC1 BB54-4079 [0,1,0,1,0,0|2,0,0]=4 189 B8R1.2 ON=C1CCCCC1 BB12-1685 [0,1,0,1,0,0|1,0,1]=4 190 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.5 CC1=NCCCN1C BB54-0189 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.5 CC1CNCCC1=O BB58-3122 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.5 CC1OCCNC1=O BB58-1681 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.5 CN1CCNCC1=O BB57-1025 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.5 NC1CCCCC1=O BB58-4091 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,1,0,1,0,0|0,1,0]=3 198 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.22 O=C1CCSCCN1 BB57-4185 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.38 COC(=O)C1CCC1 BB12-2967 [0,1,0,1,0,0|1,0,0]=3 201 B8R1.38 NNC(=O)C1CCC1 BB12-2674 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [0,1,0,1,0,0|1,0,0]=3 203 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.7 O=C(Cl)C1CCCO1 BB20-1591 [0,1,0,1,0,0|1,1,0]=4 205 B8R1.35 O=C(O)C#CC1CC1 BB58-3544 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.78 NC1(C(=O)O)CCC1 BB57-1033 [0,1,0,1,0,0|2,0,0]=4