0 B8R0.1 C#CCCC(=O)CCC DY822712 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.1 C=CCOC(=O)CC#N DY518301 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.1 CCC#CC(=O)OCC DY560139 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.1 CCOC(=O)CCCCl DY822383 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.1 CCOC(=O)CCCO DY111642 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.1 CCOC(=O)CN=C=O DY41055 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.1 CCOC(=O)\C=C\C=O NO11394 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.1 CCOCC(=O)OCC DY461136 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 C=CCCCCCBr NO19607 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 C#CCCC(=O)OC DY424002 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.3 COC(=O)CCC#N DY553731 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.3 COC(=O)CCC=O DY21172 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.7 CC#CC(=O)OCC NO10117 [1,0,0,0,0,0|0,0,3]=4 13 B7R0.7 CCNC(=O)CC#N DY740641 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.7 CCOC(=O)CC=O DY586084 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.7 CCOC(=O)CCN NO14330 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.7 CCOC(=O)CNC NO17068 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.7 CCOC(=O)CNN NO19987 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.7 CCOC(=O)COC NO11389 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.7 CCOC(=O)\C=C\Br DY822474 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.7 O=C(CCCl)CCCl NO19912 [1,0,0,0,0,0|3,0,0]=4 21 B9R0.5 CCCCCC(=O)OCC DY822461 [0,1,0,0,0,0|0,0,2]=3 22 B9R0.5 CCNCCC(=O)OCC DY703477 [0,1,0,0,0,0|0,0,2]=3 23 B9R0.5 CCOC(=O)CCCCBr NO13726 [0,1,0,0,0,0|0,0,2]=3 24 B9R0.5 CCOC(=O)CCCCN NO14354 [0,1,0,0,0,0|0,0,2]=3 25 B9R0.18 O=C(CCCCl)CCCCl NO14305 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.34 CCOC(=O)CC(=O)CBr NO13599 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.34 CCOC(=O)CC(=O)CC NO11391 [0,1,0,0,0,0|0,0,3]=4 28 B9R0.34 CCOC(=O)CC(O)CBr DY799257 [0,1,0,0,0,0|1,0,1]=3 29 B9R0.34 CCOC(=O)C[C@H](O)CC DY822251 [0,1,0,0,0,0|0,0,2]=3 30 B9R0.35 CCCC(=O)C(=O)OCC NO14582 [0,1,0,0,0,0|0,0,3]=4 31 B9R0.35 CCCC(=O)C(O)CCC DY556689 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.48 CCOC(=O)CCC(=O)O NO11693 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.8 CCOC1=CC=CN=N1 DY736406 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.8 CCOC1=NC=CN=C1 NO21524 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.15 CCC1CNCCC1=O NO17950 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.15 CCC1NCCCC1=O DY636158 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.33 O=C1OCCC1N=C=S DY796881 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.33 O=C1OCCN1CCCl DY774075 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.49 CN1CCCC(=O)CC1 NO13899 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.50 O=C1CCCCCCN1 NO21316 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.73 CCOC(=O)C1CNC1 NO11347 [0,0,0,1,0,0|1,0,1]=3 42 B6R0.6 C=CCCCCCl DY427568 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.6 C=CCCCCO NO10397 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.1 C=CC(=O)NCO DY580281 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.1 CCNC(=O)CN DY461322 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.1 CCOC(=O)CC DY460554 [2,0,0,0,0,0|0,0,0]=2 47 B6R0.1 CCOC(=O)CN DY700831 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.1 CCOC(=O)CN NO15347 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.1 CCOC(=O)CO NO11386 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.1 CCOC(=O)NN NO11383 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.1 COC(=N)CCCl DY799605 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.1 COC(=O)CC=O DY740485 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.1 COC(=O)CCCl DY741043 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.1 COC(=O)CCN NO22266 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.1 COC(=O)CSC DY460536 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.4 C#CCCC(=O)O DY428029 [2,0,0,0,0,0|0,0,2]=4 57 B6R0.4 C=CCCC(=O)O NO15216 [2,0,0,0,0,0|0,0,0]=2 58 B6R0.4 C=C\C=C\C(=O)O NO12033 [2,0,0,0,0,0|0,0,2]=4 59 B6R0.4 CC(=O)CCCBr NO10305 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 CC(=O)CCCCl NO10334 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.4 CSCCC(C)=O DY740809 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.4 N#CCCC(=O)O NO22262 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.4 NCCCC(=O)O NO14998 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.4 O=C(O)CCCBr NO14053 [2,0,0,0,0,0|1,0,1]=4 65 B8R0.4 C=CCCCCCCO DY740623 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.4 C=COCCOCCO DY799065 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.3 C=CC[C@@H](N)C(=O)OC DY628161 [1,1,0,0,0,0|0,0,0]=2 68 B8R0.9 COC(=O)CCC(=O)O NO11694 [1,1,0,0,0,0|1,0,0]=3 69 B8R0.9 COC(=O)CCS(=O)[O-] NO11954 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.9 NCC(=O)CCC(=O)O DY34214 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.9 NCC(=O)CCC(=O)O NO10222 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [1,1,0,0,0,0|0,0,2]=4 73 B8R0.19 COC(=O)C[C@@H](O)CCl NO18252 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.19 COC(=O)C[C@H](O)CO DY627328 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.5 CC(C)OC(=O)OCCl NO19003 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.5 CCOC(=O)C=C(C)C NO11345 [1,1,0,0,0,0|0,0,2]=4 77 B8R0.5 CCOC(=O)CC(C)O NO11353 [1,1,0,0,0,0|0,0,1]=3 78 B8R0.5 CCOC(=O)CC(F)F DY586521 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.5 CCOC(=O)CC(N)=O NO18301 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [1,1,0,0,0,0|0,0,1]=3 81 B8R0.5 CCOC(=O)C[N+](=O)[O-] NO22612 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.5 CCOC(=O)OC(C)Cl NO20668 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.5 CCOC(=O)\C=C(/C)N NO15795 [1,1,0,0,0,0|0,0,2]=4 84 B10R0.28 C=CCNC(=O)OC(C)(C)C NO11999 [0,2,0,0,0,0|1,0,0]=3 85 B10R0.28 CC(C)(C)OC(=O)CCCBr NO11971 [0,2,0,0,0,0|1,0,1]=4 86 B10R0.28 CC(C)(C)OC(=O)CCCN DY557193 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.28 CC(C)(C)OC(=O)CCCN NO11452 [0,2,0,0,0,0|1,0,1]=4 88 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C NO14067 [0,2,0,0,0,0|0,0,2]=4 89 B10R0.1 CCOC(=O)CCCCCBr DY544671 [0,2,0,0,0,0|0,0,2]=4 90 B10R0.1 CCOC(=O)CNCCC#N DY702199 [0,2,0,0,0,0|0,0,2]=4 91 B10R0.2 CCOC(=O)CC(=O)C=[N+]=[N-] DY584498 [0,2,0,0,0,0|1,0,1]=4 92 B10R0.2 CCOC(=O)CC(O)CCN DY788463 [0,2,0,0,0,0|0,0,2]=4 93 B10R0.2 CCOC(=O)C[C@@H](O)CC#N DY20928 [0,2,0,0,0,0|0,0,2]=4 94 B10R0.2 CCOC(=O)C[C@H](O)CC#N NO19605 [0,2,0,0,0,0|0,0,2]=4 95 B10R0.3 CCOC(=O)CCCC(=O)O DY461244 [0,2,0,0,0,0|0,0,1]=3 96 B10R0.3 CCOC(=O)CCNC(C)C DY461304 [0,2,0,0,0,0|0,0,2]=4 97 B10R0.19 CCCCC(=O)C(=O)OCC NO11379 [0,2,0,0,0,0|0,0,2]=4 98 B10R0.19 CCOC(=O)C(N)CCSC DY437954 [0,2,0,0,0,0|0,0,2]=4 99 B10R0.91 CCCCCC(=O)OCCC DY564117 [0,2,0,0,0,0|0,0,2]=4 100 B10R0.35 CCOC(=O)C(N)C(C)CC DY799005 [0,2,0,0,0,0|0,0,2]=4 101 B10R0.78 C=CCNC(=S)OCC(C)C DY822460 [0,2,0,0,0,0|1,1,0]=4 102 B10R0.26 C=C(CC(=O)OCC)C(=O)O DY561429 [0,2,0,0,0,0|1,0,1]=4 103 B10R0.26 CCOC(=O)C[C@@H](O)C(C)C DY822256 [0,2,0,0,0,0|0,0,2]=4 104 B10R0.33 CCOC(=O)C(C#N)CC#N NO11326 [0,2,0,0,0,0|1,0,1]=4 105 B8R1.49 C1=CCCC=CCC1 DY720654 [1,0,0,1,0,0|1,0,0]=3 106 B8R1.49 C1=CCCC=CCC1 NO14877 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.1 N#C[C@@H]1CCC(=O)C1 DY533241 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.3 C=C1CCC(=C)CC1 DY789615 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.3 CC1CCC(=O)OC1 DY777526 [1,0,0,1,0,0|0,0,2]=4 111 B8R1.3 CN1CCC(=O)CC1 DY634332 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.3 CN1CCC(=O)CC1 NO18410 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.3 NC1CCC(=O)CC1 NO22583 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.3 O=C1CCC(=O)CC1 NO19236 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.3 O=C1CCC(=O)NC1 NO21155 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.3 O=C1CCC(O)CC1 NO22889 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.3 O=C1COC(=O)CN1 DY549675 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.3 O=C1COC(=O)CO1 DY758720 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.38 CCC(=O)C1COC1 DY526161 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.38 COC(=O)C1CNC1 NO13402 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.38 COC(=O)[C@@H]1CCN1 DY625939 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.38 COC(=O)[C@H]1CCN1 DY565389 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.38 COC(=O)[C@H]1CCN1 DY627322 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.50 CC1C(=O)CCC1=O NO21655 [1,0,0,1,0,0|1,0,0]=3 125 B8R1.83 COC(=O)C1CC1Br DY430638 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.4 CN1CCOC(=O)C1 NO17566 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.4 NC1CCNC(=O)C1 NO15459 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.4 O=C1CCCC(=O)C1 NO19094 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.4 O=C1CCNC(=O)C1 NO18339 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.37 CCCC(=O)N1CC1 DY743815 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.37 CCOC(=N)C1CC1 DY757813 [1,0,0,1,0,0|1,0,1]=4 134 B10R1.11 CCOC(=O)C1=CC=CO1 DY10319 [0,1,0,1,0,0|0,0,2]=4 135 B10R1.11 CCOC(=O)C1=CC=CS1 NO14077 [0,1,0,1,0,0|0,0,2]=4 136 B10R1.11 CCOC(=O)C1=CN=CO1 NO17742 [0,1,0,1,0,0|1,0,1]=4 137 B10R1.11 CCOC(=O)C1=CN=CS1 NO11320 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.11 CCOC(=O)C1=CNC=N1 NO18895 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.11 CCOC(=O)C1=COC=N1 NO18179 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.11 CCOC(=O)C1=CSC=C1 NO10526 [0,1,0,1,0,0|0,0,2]=4 141 B10R1.11 CCOC(=O)C1=NC=CN1 NO18245 [0,1,0,1,0,0|1,0,1]=4 142 B10R1.11 CCOC(=O)C1=NNC=C1 NO20723 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.11 CCOC(=O)C1CC=CC1 DY540813 [0,1,0,1,0,0|0,0,0]=2 144 B10R1.11 CCOC(=O)C1CC=NN1 NO16648 [0,1,0,1,0,0|1,0,0]=3 145 B10R1.11 CCOC(=O)C1CCNC1 NO13485 [0,1,0,1,0,0|0,0,2]=4 146 B10R1.11 CCOC(=O)[C@@H]1CCNC1 DY533325 [0,1,0,1,0,0|0,0,2]=4 147 B10R1.11 CCOC(=O)[C@@H]1CCNC1 DY628887 [0,1,0,1,0,0|0,0,2]=4 148 B10R1.135 CCOC(=O)C1CC1CBr DY116546 [0,1,0,1,0,0|0,0,2]=4 149 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CC DY586270 [0,1,0,1,0,0|0,0,2]=4 150 B10R1.137 CCOC(=O)CC1CSC1 DY529545 [0,1,0,1,0,0|0,0,2]=4 151 B10R1.138 CCOC(=O)CNC1CC1 DY703555 [0,1,0,1,0,0|0,0,2]=4 152 B10R1.4 CCCC1=CCCCC1=O DY106174 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.187 NCCN1C(=O)CCC1=O DY608932 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.187 O=C1CCC(=O)N1CCCl DY600239 [0,1,0,1,0,0|2,0,0]=4 155 B10R1.402 CCOC(=O)C1[C@@H](C)[C@H]1C DY586273 [0,1,0,1,0,0|0,0,2]=4 156 B10R1.118 C[C@@H]1OC(=O)[C@H](C)OC1=O DY455283 [0,1,0,1,0,0|2,0,0]=4 157 B10R1.118 C[C@H]1NC(=O)[C@@H](C)OC1=O DY621062 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.140 CCOC(=O)C1CC(=O)C1 NO15362 [0,1,0,1,0,0|0,0,1]=3 159 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 DY528435 [0,1,0,1,0,0|0,0,2]=4 160 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 DY103673 [0,1,0,1,0,0|0,0,2]=4 161 B10R1.401 CCOC(=O)C1(Br)CCC1 DY550413 [0,1,0,1,0,0|0,0,2]=4 162 B10R1.401 CCOC(=O)C1(C)CCC1 DY565671 [0,1,0,1,0,0|0,0,2]=4 163 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 DY459558 [0,0,0,2,0,0|0,0,0]=2 164 B10R2.2 O=C1C[C@H]2C=CC[C@H]2O1 DY684928 [0,0,0,2,0,0|0,0,0]=2