0 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(C)CNC(C)C BB12-1371 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(C)CNC(N)=O BB01-7595 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 CC(N)CCN(C)C BB57-2247 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 CC(O)CNC(C)C BB58-2123 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.6 N=C(N)SCC(=O)O BB55-4565 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 C=CCNC(C)C BB12-1319 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CC(C)CN=C=O BB01-8145 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.4 CC(C)SCCCl BB53-1373 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CC(C)SCCN BB53-1544 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CC(C)SCCO BB53-1392 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 CCCCC(N)=S BB31-3291 [1,0,0,0,0,0|1,1,0]=3 16 B6R0.4 CCCNC(N)=O BB01-7603 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CCNCC(C)O BB12-1676 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CCOCC(=O)Cl BB01-8267 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 COCCC(=O)Cl BB20-1617 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.4 COCCC(C)=O BB58-1056 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CSCCC(=N)N BB12-3715 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 N=C(N)CCCCl BB54-4116 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 NC(=O)CCCCl BB57-2489 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.4 NCCCC(N)=O BB57-4725 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 [C-]#[N+]CCN(C)C BB56-1617 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.9 CC(C)CNC(=O)CBr BB57-1141 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.9 CC(C)OCC(O)CN BB58-4225 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,1,0,0,0,0|1,0,1]=3 31 B8R0.9 CCC(=O)NCC(=O)O BB55-4733 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.9 NCC(=O)CCC(=O)O BB57-4885 [0,1,0,0,0,0|1,0,1]=3 36 B8R0.23 CC(=O)CC(=O)C(C)C BB12-3661 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.23 CC(C)N(C)CC(=O)O BB58-1905 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.23 CC(C)[C@H](N)CC(=O)O BB01-8380 [0,1,0,0,0,0|0,0,0]=1 40 B8R0.23 CC(CC(=O)O)N(C)C BB12-1308 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.29 CC(C)(C)CCC(=O)O BB57-2925 [0,1,0,0,0,0|0,0,0]=1 43 B8R0.29 CC(C)(N)CCC(=O)O BB12-1634 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.29 CC(C)NCC(C)(C)O BB58-2127 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.29 CS(=O)(=O)CCC(=O)O BB55-8892 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.29 CS(=O)(=O)NCC(=O)O BB55-4727 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.35 O=C(O)C#CC1CC1 BB58-3544 [0,0,0,1,0,0|0,0,2]=3 50 B8R1.51 CC1(C)CC(=O)CO1 BB58-3838 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.51 CC1(C)CC(O)CN1 BB31-3682 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.51 CC1(C)CC(O)CO1 BB58-3837 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,0,0,1,0,0|1,0,0]=2 54 B8R1.51 CC1(C)CNC(=O)C1 BB58-3757 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.51 CC1(C)COC(=O)N1 BB12-2312 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.51 CC1CCC(C)(C)N1 BB57-2455 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.51 NC1CCS(=O)(=O)C1 BB12-2525 [0,0,0,1,0,0|2,0,1]=4 58 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,0,0,0,1,0|0,0,2]=3 59 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,0,0,0,1,0|2,0,0]=3 60 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,0,0,0,1,0|1,0,0]=2 61 B6R0.2 CC(N)CC(C)O BB58-3424 [0,0,0,0,1,0|2,0,1]=4 62 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,0,0,0,1,0|2,0,1]=4 63 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,0,0,0,1,0|2,0,0]=3 64 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [0,0,0,0,0,1|0,0,0]=1 65 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,0,0,0,0,1|1,0,0]=2 66 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [0,0,0,0,0,1|2,0,1]=4 67 B8R0.28 NC(=O)COCC(=O)O BB12-2362 [0,0,0,0,0,1|2,0,1]=4 68 B5R0.1 CC(N)CCO BB57-1076 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.1 CNCC(C)=O BB12-3010 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 NC(=O)CCO BB58-1090 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 CCSCCO BB54-1799 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.2 OCCCCCl BB54-0721 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.2 [C-]#[N+]CCCC BB56-0718 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.2 CC(C)CC(O)CN BB58-4053 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.2 CC(CO)CN(C)C BB12-3644 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.2 CCC(C)NC(N)=O BB01-7615 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.2 CCN(C)CC(=O)O BB12-1321 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.2 CCN(C)CC(C)=O BB12-2316 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.2 CNC(C)CC(=O)O BB12-1285 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.3 CCCCC(=O)NN BB12-2550 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.3 CCCCC(N)CO BB56-2048 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.3 CCN(C)CCCO BB12-3254 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.3 CNC(=O)CCCN BB55-7167 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.3 CNCCC(=O)NC BB12-1428 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.3 COCCC(=O)NN BB20-4502 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.3 COCC\C(N)=N\O BB12-3470 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.3 NNC(=O)CCCO BB55-4806 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.4 C=CCCNC(C)C BB58-4949 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.4 C=CCSCC(=O)O BB12-3265 [1,1,0,0,0,0|0,0,2]=4 91 B7R0.4 CC(=O)NCCCN BB32-2735 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.4 CC(=O)NCCCO BB12-3384 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.4 CC(C)CCCCO BB12-2305 [1,1,0,0,0,0|0,0,1]=3 94 B7R0.4 CC(C)CCN=C=O BB01-6540 [1,1,0,0,0,0|0,0,1]=3 95 B7R0.4 CC(C)NCCCO BB55-6367 [1,1,0,0,0,0|0,0,1]=3 96 B7R0.4 CC(O)CNCCO BB57-2443 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.4 CCCCNC(C)C BB55-6366 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.4 CCCNCC(=O)O BB20-0186 [1,1,0,0,0,0|0,0,0]=2 99 B7R0.4 CCCNCC(C)O BB58-2124 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.4 CCCOCC(=O)O BB55-7872 [1,1,0,0,0,0|0,0,0]=2 101 B7R0.4 CCCSCC(=O)O BB12-3263 [1,1,0,0,0,0|0,0,0]=2 102 B7R0.4 CCOCCC(=O)Cl BB58-1931 [1,1,0,0,0,0|1,0,0]=3 103 B7R0.4 CCSCCC(=O)O BB12-3270 [1,1,0,0,0,0|0,0,0]=2 104 B7R0.4 NC(=O)CSCCO BB53-1357 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.4 O=C(O)CNCCO BB58-1263 [1,1,0,0,0,0|1,0,0]=3 106 B7R0.5 CC(CCO)N(C)C BB12-3646 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.8 CC(C)(N)CCCO BB57-3651 [1,1,0,0,0,0|0,0,1]=3 111 B7R0.8 CNCCS(=O)(=O)O BB57-6681 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.9 CC(C)(C)NC(N)=O BB01-7611 [0,1,0,0,1,0|2,0,0]=4 113 B7R0.9 CC(C)(C)OC(N)=O BB56-2323 [0,1,0,0,1,0|2,0,0]=4 114 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,1,0|1,0,0]=3 115 B9R0.7 CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,1,0,0,0,1|0,0,1]=3 116 B9R0.7 CC(C)N(C)CCC(=O)O BB12-3651 [0,1,0,0,0,1|0,0,0]=2 117 B9R0.7 CN(C)C(=O)NCC(=O)O BB55-4735 [0,1,0,0,0,1|1,0,1]=4 118 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,1,0,0,0,1|1,0,0]=3 119 B9R0.53 CC(=O)NC(C)CC(=O)O BB57-3774 [0,1,0,0,0,1|1,0,1]=4 120 B9R0.53 CC(C)NC(=O)CC(=O)O BB57-3775 [0,1,0,0,0,1|0,0,1]=3 121 B9R0.56 CC(C)(C)SCCC(=O)O BB54-4513 [0,1,0,0,0,1|0,0,0]=2 122 B9R0.56 CS(=O)(=O)NCCC(=O)O BB55-6915 [0,1,0,0,0,1|2,0,0]=4 123 B9R0.21 CNC(=O)CCC(C)(C)N BB12-1573 [0,2,0,0,0,0|1,0,0]=3 124 B9R0.23 COC(=O)C(C)CN(C)C BB12-3648 [0,2,0,0,0,0|1,0,0]=3 125 B9R0.23 O=C(O)CC(Br)C(=O)CBr BB54-5215 [0,2,0,0,0,0|1,0,1]=4 126 B9R0.24 COC(=O)CCC(=O)CBr BB58-1129 [0,2,0,0,0,0|1,0,1]=4 127 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.43 COC(CC[N+](=O)[O-])OC BB54-1873 [0,2,0,0,0,0|1,0,1]=4 129 B9R0.43 COC(CNC(N)=O)OC BB57-6432 [0,2,0,0,0,0|2,0,0]=4 130 B9R0.64 C#CC(C)(C)NCC(C)=O BB54-1960 [0,2,0,0,0,0|2,0,0]=4 131 B9R0.64 CCS(=O)(=O)CCC(=O)O BB12-3368 [0,2,0,0,0,0|2,0,0]=4 132 B9R0.10 CC(CC(=O)O)C(C)(C)N BB57-2162 [0,2,0,0,0,0|0,0,0]=2 133 B9R0.39 CN[C@H](CC(C)C)C(=O)O BB31-2327 [0,2,0,0,0,0|0,0,0]=2 134 B9R0.57 CC(C)(C)NC(=O)C(=O)O BB55-4693 [0,2,0,0,0,0|1,0,1]=4 135 B7R1.2 CC1CNC(=O)C1 BB58-5429 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.2 CC1CNC(=O)O1 BB57-3655 [1,0,0,1,0,0|1,0,0]=3 137 B7R1.2 CC1COC(=O)N1 BB57-2454 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.3 BrC1CCCOC1 BB55-3590 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.3 CC1CCOCC1 BB32-2892 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.3 NC1CCCOC1 BB12-2177 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.3 O=C1CNCCN1 BB54-4362 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.3 O=C1CSCCN1 BB20-1255 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.18 O=C(O)C1CCN1 BB57-4884 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.18 O=C(O)C1CCO1 BB31-4760 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.23 CC1(C)CC1CO BB31-7326 [1,0,0,1,0,0|0,0,1]=3 150 B9R1.35 C=C1CCC(C(=O)O)C1 BB58-5288 [0,0,0,1,0,1|0,0,2]=4 151 B9R1.35 CC(=O)N1CCC(O)C1 BB58-2199 [0,0,0,1,0,1|2,0,0]=4 152 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [0,0,0,1,0,1|1,0,1]=4 153 B9R1.35 CC1=NOC(C(=O)O)C1 BB05-4673 [0,0,0,1,0,1|1,0,1]=4 154 B9R1.35 CC1=NOC(C(=O)O)C1 BB55-3992 [0,0,0,1,0,1|1,0,1]=4 155 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [0,0,0,1,0,1|1,0,0]=3 156 B9R1.35 O=C1CC(C(=O)O)CN1 BB57-2160 [0,0,0,1,0,1|1,0,1]=4 157 B9R1.35 O=C1CC(C(=O)O)CS1 BB01-0509 [0,0,0,1,0,1|1,0,1]=4 158 B9R1.49 CC1CCNC(=O)CC1 BB58-4537 [0,0,0,1,0,1|1,0,0]=3 159 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,0,0,1,0,1|2,0,0]=4 160 B9R1.49 CN1CCNC(=O)CC1 BB57-3646 [0,0,0,1,0,1|2,0,0]=4 161 B9R1.66 CC1(C)COCC(=O)N1 BB55-6998 [0,0,0,1,0,1|1,0,0]=3 162 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,0,0,1,0,1|0,0,0]=2 163 B9R1.1 CC1CCC(=NO)CC1 BB12-1451 [0,1,0,1,0,0|1,0,0]=3 164 B9R1.10 CC1(C)CCC(N)CO1 BB58-3788 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.69 CC1CN(C)CCC1=O BB54-0258 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.69 CN1CC(N)CCC1=O BB58-3748 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.80 O=C(CCl)NCC1CC1 BB32-2854 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [0,1,0,1,0,0|0,0,0]=2 169 B9R1.95 COC1CC(C(=O)O)C1 BB58-3428 [0,1,0,1,0,0|0,0,0]=2 170 B9R1.125 CC1(CO)COC(=O)N1 BB58-5091 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.133 CC1(C)CCC(CO)O1 BB58-4750 [0,1,0,1,0,0|0,0,2]=4 172 B9R1.133 CNC1CCS(=O)(=O)C1 BB30-0300 [0,1,0,1,0,0|1,0,1]=4 173 B9R1.133 NCC1CCS(=O)(=O)C1 BB54-4465 [0,1,0,1,0,0|1,0,1]=4 174 B9R1.133 O=S1(=O)CCC(CCl)C1 BB54-4369 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.36 CC1CC(C)(C)NC1=O BB58-3413 [0,1,0,1,0,0|1,0,0]=3 176 B9R1.38 C=C1OC(=O)OC1(C)C BB54-0056 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.137 CC(=O)CC(=O)C1CC1 BB12-3707 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.169 CC1(C(=O)O)CC1(Br)Br BB55-0507 [0,1,0,1,0,0|2,0,0]=4 179 B9R2.139 O=C1CC2(CC2)CN1 BB58-3835 [0,0,0,2,0,0|2,0,0]=4 180 B5R0.5 CC(C)C(=N)N BB20-1445 [0,0,0,0,2,0|2,0,0]=4 181 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,0,0,0,2,0|2,0,0]=4