0 B5R0.2 C#C\C=C\CO 9879AL [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 C=C\C=C\CC 4582AL [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 CCCSC#N I565 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.2 CCO\C=C/Br 7961AD [0,0,0,0,0,0|1,0,2]=3 4 B5R0.2 COCCC=O Y8542 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 CSC\C=N\O S678 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 C\C=C\CC#N 6148AL [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 C\C=C\C[Mg]Cl Z2523 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 ClC\C=C\CCl 9862AF [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 FCCCCF 1855AE [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 NCCCCCl 5846AB [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 OC\C=C\CCl Y3343 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.2 S=C=NCCBr 4566AD [0,0,0,0,0,0|3,0,1]=4 13 B4R0.2 C=CCON 7592AH [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 CCCC[NH3+] 7121AF [1,0,0,0,0,0|1,0,0]=2 15 B4R0.2 CCCC[O-] S459 [1,0,0,0,0,0|0,0,1]=2 16 B4R0.2 CCC[Mg]Cl 9030AJ [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 CCNCC Y1600 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.2 CCSC#N 7036AF [1,0,0,0,0,0|1,1,1]=4 19 B4R0.2 CC\C=C\Br 3495AB [1,0,0,0,0,0|1,0,2]=4 20 B4R0.2 C\C=C\CN Q938 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.2 FCCCF Y3147 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 NOCCO 0128AP [1,0,0,0,0,0|1,0,0]=2 23 B4R0.2 O=CCCF 2017AC [1,0,0,0,0,0|1,0,2]=4 24 B4R0.2 OCC#CI X4687 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.1 BrCCC(Br)CBr F672 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 CC(CN)CCN 7844AA [0,1,0,0,0,0|3,0,0]=4 27 B6R0.1 CCCC(Br)CBr R241 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.1 CCCC(N)CC 7574AF [0,1,0,0,0,0|2,0,0]=3 29 B6R0.1 CCC[C@@H](C)CO N835 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.1 CCN(C)CCO Z5820 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.1 CCOC(=O)CF C411 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.1 CCOC(Br)CBr V0731 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.1 CC[C@@H](N)COC 8544AH [0,1,0,0,0,0|3,0,0]=4 34 B6R0.1 CC[C@H](N)COC 8568AH [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 COC(=O)CCN 5700AB [0,1,0,0,0,0|3,0,0]=4 36 B6R0.1 C\C=C\C(C)CC 6598AL [0,1,0,0,0,0|2,0,1]=4 37 B6R0.1 N#CC[C@H](O)CO Q266 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.1 OCC[C@@H](O)CCl Z2057 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.1 OCC[C@H](O)CCl Z2061 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.4 CC(C)=CCCBr 1398AB [0,1,0,0,0,0|2,0,1]=4 41 B6R0.4 CCC#CC(C)O I840 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.4 CN(C)CCCBr 7713AB [0,1,0,0,0,0|3,0,0]=4 43 B6R0.4 CNCCC(C)C 5617AB [0,1,0,0,0,0|3,0,0]=4 44 B6R0.4 CNCC[C@H](C)N 9254AH [0,1,0,0,0,0|3,0,0]=4 45 B6R0.6 C#CCCCCBr 0285AC [0,1,0,0,0,0|2,0,1]=4 46 B6R0.6 CCCCCCF 7535AF [0,1,0,0,0,0|2,0,0]=3 47 B6R0.6 CCCCSO=[Sn] P605 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.6 CCNCCC#N 7314AD [0,1,0,0,0,0|2,0,0]=3 49 B6R0.6 COCCCOC U569 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.6 OCCOCCS 5680AL [0,1,0,0,0,0|0,0,0]=1 51 B6R1.1 C1=CCCCC1 6616AH [0,0,0,1,0,0|2,0,1]=4 52 B6R1.1 C1CCNCC1 X3730 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.1 C1CNCCN1 7642AH [0,0,0,1,0,0|2,0,0]=3 54 B6R1.1 C1CNCCN1 W0060 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.2 CC1C=COC1 8769AA [0,0,0,1,0,0|1,0,2]=4 56 B6R1.2 ClC1CCNC1 X3739 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.2 NC1CCCC1 0142AP [0,0,0,1,0,0|2,0,0]=3 58 B6R1.2 NN1CCCC1 9623AB [0,0,0,1,0,0|3,0,0]=4 59 B6R1.2 O=C1CCNC1 R079 [0,0,0,1,0,0|1,0,2]=4 60 B6R1.2 OC1CC=CC1 X4956 [0,0,0,1,0,0|1,0,1]=3 61 B6R1.2 OC1CCCO1 5572AJ [0,0,0,1,0,0|2,0,0]=3 62 B6R1.3 BrCCC1CC1 8486AH [0,0,0,1,0,0|2,0,0]=3 63 B6R1.3 BrCC[C@H]1CO1 9072AH [0,0,0,1,0,0|2,0,0]=3 64 B6R1.3 CCCC1CN1 Y8874 [0,0,0,1,0,0|2,0,0]=3 65 B6R1.3 NCCN1CC1 2655AE [0,0,0,1,0,0|2,0,0]=3 66 B6R1.3 O=CCC1CC1 8199AB [0,0,0,1,0,0|1,0,2]=4 67 B6R1.6 [C-]#[N+]C1CCC1 2868AF [0,0,0,1,0,0|3,0,0]=4 68 B6R1.8 C=C1CC1CO Y8583 [0,0,0,1,0,0|1,0,2]=4 69 B3R0.1 CNOC 2107AA [2,0,0,0,0,0|1,0,0]=3 70 B3R0.1 NCCBr 2022AL [2,0,0,0,0,0|2,0,0]=4 71 B3R0.1 NCCF X4686 [2,0,0,0,0,0|2,0,0]=4 72 B3R0.1 NCCN 6877AF [2,0,0,0,0,0|2,0,0]=4 73 B3R0.1 O=NOO 1983AH [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 C=CC[C@@H](C)O 1174AL [1,1,0,0,0,0|0,0,2]=4 75 B5R0.1 CC#C[C@H](C)O S982 [1,1,0,0,0,0|0,0,2]=4 76 B5R0.1 CC(=O)CCS U742 [1,1,0,0,0,0|0,1,1]=4 77 B5R0.1 CC(C)C[Mg]Cl 8723AJ [1,1,0,0,0,0|2,0,0]=4 78 B5R0.1 CC(Cl)CCBr 7250AF [1,1,0,0,0,0|1,0,0]=3 79 B5R0.1 CC(O)CC=O 7261AF [1,1,0,0,0,0|0,0,2]=4 80 B5R0.1 CCCC(=O)[O-] M135 [1,1,0,0,0,0|0,0,2]=4 81 B5R0.1 CCCC(C)I 7327AF [1,1,0,0,0,0|1,0,0]=3 82 B5R0.1 CCO[PH](C)=O 8330AA [1,1,0,0,0,0|1,0,0]=3 83 B5R0.1 CN(C)CCCl X8859 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.1 C[C@H](O)CC#N W1944 [1,1,0,0,0,0|1,0,1]=4 85 B5R0.1 N=C(N)CCO 5428AA [1,1,0,0,0,0|1,0,1]=4 86 B5R0.3 CCC(=O)CN 2095AC [1,1,0,0,0,0|1,0,1]=4 87 B5R0.3 CCC(N)CN Y2034 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.3 CC[C@H](C)C#N 1254AL [1,1,0,0,0,0|1,0,1]=4 89 B5R0.3 COC(=O)CN W7382 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.3 C[C@@H](CO)CBr 6877AC [1,1,0,0,0,0|1,0,0]=3 91 B5R0.3 NC(CF)CF 7992AC [1,1,0,0,0,0|2,0,0]=4 92 B5R0.3 NC[C@@H](O)CCl Z2104 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.3 NC[C@H](O)CCl Z2048 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.3 O=C(CO)CBr 0236AP [1,1,0,0,0,0|1,0,1]=4 95 B5R0.3 OCC(O)CF 6245AB [1,1,0,0,0,0|1,0,0]=3 96 B5R0.3 OC[C@@H](O)CBr 7112AA [1,1,0,0,0,0|1,0,0]=3 97 B5R0.3 OC[C@H](O)CBr 6586AA [1,1,0,0,0,0|1,0,0]=3 98 B7R0.3 C=CCOC(=O)CC 7475AF [0,2,0,0,0,0|1,0,1]=4 99 B7R0.3 C=CCOC(=S)CC U627 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.3 CCC(C)OCCO 1705AL [0,2,0,0,0,0|0,0,0]=2 101 B7R0.3 CCCCC(N)CC 7820AF [0,2,0,0,0,0|2,0,0]=4 102 B7R0.3 CCCOC(=O)CCl U589 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.3 CCCOC(=O)CN 3440AL [0,2,0,0,0,0|1,0,1]=4 104 B7R0.3 COC(=O)CCCO 3568AL [0,2,0,0,0,0|1,0,1]=4 105 B7R0.3 NCC(Cl)CCCCl 1747AA [0,2,0,0,0,0|2,0,0]=4 106 B7R0.5 CC(=O)C(Cl)CCO X4477 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [0,2,0,0,0,0|1,0,1]=4 108 B7R0.7 CCCC(=S)OCC R545 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.7 CCCS(=O)CCC 7566AF [0,2,0,0,0,0|1,1,0]=4 110 B7R0.7 CCNC(=O)OCC 7331AF [0,2,0,0,0,0|1,0,1]=4 111 B7R0.7 CCOC(=O)CCN 5625AC [0,2,0,0,0,0|1,0,0]=3 112 B7R0.7 CCOP(C)OCC R038 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.7 O=C(CCBr)CCBr 6817AA [0,2,0,0,0,0|2,0,0]=4 114 B7R0.7 O=C(CCCl)CCCl R711 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.10 COC(=O)C(N)CO 0759AB [0,2,0,0,0,0|2,0,0]=4 116 B7R0.11 CCS(=O)(=O)CCO 4648AE [0,2,0,0,0,0|0,1,0]=3 117 B7R0.12 CCN(CC)CCBr 5536AL [0,2,0,0,0,0|2,0,0]=4 118 B7R0.12 CCN(CC)CCN 7337AB [0,2,0,0,0,0|2,0,0]=4 119 B7R0.12 CCN(CC)CCO 7101AA [0,2,0,0,0,0|1,0,0]=3 120 B7R0.4 CC(=O)OCCC=O 9702AA [0,2,0,0,0,0|0,0,2]=4 121 B7R0.4 CC(C)CCCCCl 3854AB [0,2,0,0,0,0|2,0,0]=4 122 B7R0.4 CCCCCC(C)N 5131AF [0,2,0,0,0,0|2,0,0]=4 123 B7R0.4 CCC\C=C\C(C)C 7959AF [0,2,0,0,0,0|2,0,0]=4 124 B7R0.4 NC(=O)COCCO 7275AF [0,2,0,0,0,0|0,0,1]=3 125 B7R0.4 N[C@@H](C)CCCCC Z2154 [0,2,0,0,0,0|2,0,0]=4 126 B7R0.6 CC(C)CCC(C)N 2762AB [0,2,0,0,0,0|2,0,0]=4 127 B7R0.6 CC(O)\C=C\C(C)O 7517AF [0,2,0,0,0,0|1,0,1]=4 128 B7R0.8 CCCCS(=O)(=O)O X7342 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.8 CCNCC(C)(C)O 9525AH [0,2,0,0,0,0|1,0,0]=3 130 B7R0.1 C=CCOCCOC 9825AA [0,2,0,0,0,0|0,0,1]=3 131 B7R0.1 CCCCOCCBr 7502AE [0,2,0,0,0,0|1,0,0]=3 132 B7R0.1 CCCNCCC#N 8736AE [0,2,0,0,0,0|2,0,0]=4 133 B7R0.1 CCCOCCCO 9024AJ [0,2,0,0,0,0|0,0,0]=2 134 B7R0.1 NCC[Se][Se]CCN 9474AL [0,2,0,0,0,0|1,1,0]=4 135 B7R0.1 OCCCNCCCl B648 [0,2,0,0,0,0|1,0,0]=3 136 B5R1.1 C1CCOC1 V2332 [1,0,0,1,0,0|0,0,0]=2 137 B5R1.1 C1CNNC1 4465AJ [1,0,0,1,0,0|2,0,0]=4 138 B5R1.1 C1CNOC1 4176AJ [1,0,0,1,0,0|1,0,0]=3 139 B5R1.2 CC1CCN1 2132AL [1,0,0,1,0,0|1,0,0]=3 140 B5R1.2 NC1CNC1 X8588 [1,0,0,1,0,0|2,0,0]=4 141 B5R1.3 C=CC1CC1 3916AL [1,0,0,1,0,0|1,0,1]=4 142 B5R1.3 CCC1CN1 Y8453 [1,0,0,1,0,0|1,0,0]=3 143 B5R1.3 ClCC1CS1 Y8722 [1,0,0,1,0,0|1,1,0]=4 144 B5R1.4 CC1OC1C 5247AL [1,0,0,1,0,0|0,0,0]=2 145 B7R1.1 CO[C@@H]1CCNC1 Z2120 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.1 CO[C@H]1CCNC1 Z2151 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.1 ClCC1CCCN1 1258AJ [0,1,0,1,0,0|2,0,0]=4 148 B7R1.1 Cl[Mg]C1CCCC1 Z3121 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.2 CC1CCC(=O)C1 7470AF [0,1,0,1,0,0|2,0,0]=4 150 B7R1.2 CC1CCC(C)N1 Y8778 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8295AH [0,1,0,1,0,0|2,0,0]=4 152 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8559AH [0,1,0,1,0,0|2,0,0]=4 153 B7R1.2 C[C@H]1CC[C@H](C)N1 8586AH [0,1,0,1,0,0|2,0,0]=4 154 B7R1.2 N[C@@H]1CC[C@@H](O)C1 6258AC [0,1,0,1,0,0|1,0,0]=3 155 B7R1.3 C=C1CCCCC1 3293AA [0,1,0,1,0,0|2,0,0]=4 156 B7R1.3 CC1CC=CCC1 6594AL [0,1,0,1,0,0|2,0,0]=4 157 B7R1.3 C[C@@H]1CCCCN1 W3754 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.3 C[C@@H]1CCCNC1 8114AA [0,1,0,1,0,0|2,0,0]=4 159 B7R1.3 NC1CCCCN1 6271AB [0,1,0,1,0,0|2,0,0]=4 160 B7R1.3 NC1CCSCC1 V4406 [0,1,0,1,0,0|1,1,0]=4 161 B7R1.3 NN1CCNCC1 Y3154 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.3 N[C@@H]1CCCOC1 X8827 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.3 N[C@H]1CC=CCC1 9037AH [0,1,0,1,0,0|2,0,0]=4 164 B7R1.3 N[C@H]1CCCOC1 X6276 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.3 O=S1CCCCC1 V2389 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.3 OC1C=CCNC1 9589AH [0,1,0,1,0,0|1,0,1]=4 167 B7R1.3 OC1CC=CCC1 Y4155 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.4 CC1=C(S)CCO1 R544 [0,1,0,1,0,0|0,1,1]=4 169 B7R1.4 C[C@@H]1CCC[C@H]1O S086 [0,1,0,1,0,0|1,0,0]=3 170 B7R1.4 N[C@@H]1CCC[C@H]1N X3520 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.4 N[C@@H]1CCC[C@H]1O 0541AC [0,1,0,1,0,0|1,0,0]=3 172 B7R1.4 O[C@H]1CNC[C@H]1O 5860AA [0,1,0,1,0,0|1,0,0]=3 173 B7R1.7 CCCC[C@H]1CO1 Y7384 [0,1,0,1,0,0|1,0,0]=3 174 B7R1.7 CCCNC1CC1 8890AE [0,1,0,1,0,0|2,0,0]=4 175 B7R1.14 CC1(C)CCNC1 2277AL [0,1,0,1,0,0|2,0,0]=4 176 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [0,1,0,1,0,0|1,0,1]=4 177 B7R1.20 CC(C)CC1CN1 Y8873 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.24 C1CNOCCN1 9264AH [0,1,0,1,0,0|1,0,0]=3 179 B7R2.11 C1CC2CC1N2 3085AJ [0,0,0,2,0,0|2,0,0]=4