0 B5R0.3 C=C(CBr)CBr 7716AA [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CCC(=O)CN 2095AC [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 CCC(N)CN Y2034 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CC[C@H](C)C#N 1254AL [0,0,0,0,0,0|1,0,1]=2 4 B5R0.3 COC(=O)CN W7382 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C[C@@H](CO)CBr 6877AC [0,0,0,0,0,0|1,0,0]=1 6 B5R0.3 C\C=C(/C)[Mg]Br 7715AJ [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 N#CC(Cl)CCl S763 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 NC(CF)CF 7992AC [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 NC[C@@H](O)CCl Z2104 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 NC[C@H](O)CCl Z2048 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 O=C(CF)CF 3891AE [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 O=C(CO)CBr 0236AP [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 OCC(O)CF 6245AB [0,0,0,0,0,0|2,0,0]=2 14 B5R0.3 OC[C@@H](O)CBr 7112AA [0,0,0,0,0,0|2,0,0]=2 15 B5R0.3 OC[C@H](O)CBr 6586AA [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 C#C[C@@H](C)N 8949AH [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 C#C[C@@H](C)N 8950AH [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C=C(Br)CC 7231AF [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 CC(=O)CN W5227 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 CC(C)=CCl R244 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 CC(C)NO C506 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 CC(Cl)=NO Y1502 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(Cl)CCl Y6563 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(O)CN 8099AL [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CCC(=O)F 3262AE [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 CCC(=O)[O-] 7037AF [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CC[C@H](C)N 4197AL [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 O=S([O-])CO 5143AF [1,0,0,0,0,0|3,0,0]=4 29 B4R0.2 CCCC[NH3+] 7121AF [1,0,0,0,0,0|1,0,0]=2 30 B4R0.2 CCCC[O-] S459 [1,0,0,0,0,0|0,0,1]=2 31 B4R0.2 CCC[Mg]Cl 9030AJ [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 CCNCC Y1600 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.2 CCSC#N 7036AF [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 CC\C=C\Br 3495AB [1,0,0,0,0,0|1,0,2]=4 35 B4R0.2 C\C=C\CN Q938 [1,0,0,0,0,0|1,0,2]=4 36 B4R0.2 FCCCF Y3147 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 NOCCO 0128AP [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 O=CCCF 2017AC [1,0,0,0,0,0|1,0,2]=4 39 B4R0.2 OCC#CI X4687 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.1 BrCCC(Br)CBr F672 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.1 C#C\C(C)=C\CO 7191AB [0,1,0,0,0,0|0,0,3]=4 42 B6R0.1 CC(CN)CCN 7844AA [0,1,0,0,0,0|1,0,0]=2 43 B6R0.1 CCCC(Br)CBr R241 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.1 CCCC(N)CC 7574AF [0,1,0,0,0,0|2,0,0]=3 45 B6R0.1 CCC[C@@H](C)CO N835 [0,1,0,0,0,0|0,0,0]=1 46 B6R0.1 CCN(C)CCO Z5820 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.1 CCOC(=O)CF C411 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 CCOC(Br)CBr V0731 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.1 CC[C@@H](N)COC 8544AH [0,1,0,0,0,0|1,0,0]=2 50 B6R0.1 CC[C@H](N)COC 8568AH [0,1,0,0,0,0|1,0,0]=2 51 B6R0.1 CC\C(C)=N\O[SiH3] O469 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.1 C\C=C\C(C)CC 6598AL [0,1,0,0,0,0|1,0,1]=3 53 B6R0.1 N#CC[C@H](O)CO Q266 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.1 OCC[C@@H](O)CCl Z2057 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 OCC[C@H](O)CCl Z2061 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.3 C=C(C)C(C)CC 7776AF [0,1,0,0,0,0|1,0,1]=3 57 B6R0.3 CC(C)C(Br)C=O 9932AB [0,1,0,0,0,0|1,0,2]=4 58 B6R0.3 CC(CCl)N(C)C X4629 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.3 CC[C@H](C)C(=O)O Z9667 [0,1,0,0,0,0|0,0,1]=2 60 B6R0.3 C\C=C(/C)B(O)O Y1630 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.3 O=C(O)C(Br)CF 5339AD [0,1,0,0,0,0|2,0,1]=4 62 B6R0.8 C=CC(C)(O)CC 7513AF [0,1,0,0,0,0|1,0,1]=3 63 B6R0.8 CC[Ge](Cl)(Cl)CC Y1404 [0,1,0,0,0,0|2,1,0]=4 64 B6R0.8 CC[N+](C)(C)CC 8568AJ [0,1,0,0,0,0|2,0,0]=3 65 B6R0.9 C=CC(CC)CO 7511AB [0,1,0,0,0,0|0,0,1]=2 66 B6R0.9 CCN(CC)CC 9279AL [0,1,0,0,0,0|2,0,0]=3 67 B6R0.9 CC[NH+](CC)CC X5323 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.9 CC[O+](CC)CC 0270AP [0,1,0,0,0,0|2,0,0]=3 69 B6R0.9 CC[O+](CC)CC 0741AP [0,1,0,0,0,0|2,0,0]=3 70 B6R0.9 NCN(CN)CN Y1614 [0,1,0,0,0,0|3,0,0]=4 71 B6R1.2 CC1C=COC1 8769AA [0,0,0,1,0,0|0,0,2]=3 72 B6R1.2 ClC1CCNC1 X3739 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.2 NC1CCCC1 0142AP [0,0,0,1,0,0|2,0,0]=3 74 B6R1.2 NN1CCCC1 9623AB [0,0,0,1,0,0|3,0,0]=4 75 B6R1.2 O=C1CCNC1 R079 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.2 OC1CC=CC1 X4956 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.2 OC1CCCO1 5572AJ [0,0,0,1,0,0|3,0,0]=4 78 B6R1.4 O=C1CCC1Br 0705AD [0,0,0,1,0,0|1,0,2]=4 79 B6R1.4 O=C1CCC1Cl 7041AD [0,0,0,1,0,0|1,0,2]=4 80 B6R1.6 CNC1COC1 4219AF [0,0,0,1,0,0|1,0,0]=2 81 B6R1.6 [C-]#[N+]C1CCC1 2868AF [0,0,0,1,0,0|2,0,0]=3 82 B6R1.7 C=CC1(C)CO1 2118AL [0,0,0,1,0,0|0,0,2]=3 83 B6R1.7 CC1(CN)CC1 4593AF [0,0,0,1,0,0|1,0,0]=2 84 B6R1.7 CC1(CN)CC1 X3846 [0,0,0,1,0,0|1,0,0]=2 85 B6R1.8 C=C1CC1CO Y8583 [0,0,0,1,0,0|0,0,2]=3 86 B3R0.1 CNOC 2107AA [2,0,0,0,0,0|2,0,0]=4 87 B3R0.1 NCCBr 2022AL [2,0,0,0,0,0|2,0,0]=4 88 B3R0.1 NCCF X4686 [2,0,0,0,0,0|2,0,0]=4 89 B3R0.1 NCCN 6877AF [2,0,0,0,0,0|2,0,0]=4 90 B3R0.2 CC(C)=O 5788AL [2,0,0,0,0,0|0,0,2]=4 91 B3R0.2 CC(C)N 8113AL [2,0,0,0,0,0|1,0,0]=3 92 B3R0.2 CC(C)O 7082AF [2,0,0,0,0,0|0,0,0]=2 93 B3R0.2 CC(Cl)Cl 9227AE [2,0,0,0,0,0|2,0,0]=4 94 B5R0.1 C=CC[C@@H](C)O 1174AL [1,1,0,0,0,0|0,0,1]=3 95 B5R0.1 CC#C[C@H](C)O S982 [1,1,0,0,0,0|0,0,1]=3 96 B5R0.1 CC(=O)CCS U742 [1,1,0,0,0,0|0,0,2]=4 97 B5R0.1 CC(C)C[Mg]Cl 8723AJ [1,1,0,0,0,0|1,0,0]=3 98 B5R0.1 CC(Cl)CCBr 7250AF [1,1,0,0,0,0|1,0,0]=3 99 B5R0.1 CC(O)CC=O 7261AF [1,1,0,0,0,0|0,0,1]=3 100 B5R0.1 CCCC(C)I 7327AF [1,1,0,0,0,0|1,0,0]=3 101 B5R0.1 CCO[PH](C)=O 8330AA [1,1,0,0,0,0|1,0,1]=4 102 B5R0.1 CN(C)CCCl X8859 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.1 C[C@H](O)CC#N W1944 [1,1,0,0,0,0|0,0,1]=3 104 B5R0.4 CC(C)(C)N=O 9880AL [1,1,0,0,0,0|1,0,1]=4 105 B5R0.4 CC(C)(N)C#N E319 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.4 CCP(=O)(O)O S851 [1,1,0,0,0,0|2,0,0]=4 107 B5R0.4 CC[Si](C)(C)C 9692AJ [1,1,0,0,0,0|0,1,0]=3 108 B5R0.4 C[Si](C)(Cl)CBr 7290AL [1,1,0,0,0,0|1,1,0]=4 109 B5R0.5 CC(=O)C(C)Br V0402 [1,1,0,0,0,0|0,0,2]=4 110 B5R0.5 CC(Br)C(Br)Br 7028AF [1,1,0,0,0,0|2,0,0]=4 111 B5R0.5 CC(C)C(C)N 4455AL [1,1,0,0,0,0|0,0,0]=2 112 B5R0.5 CC(Cl)C(C)Cl 5219AL [1,1,0,0,0,0|1,0,0]=3 113 B5R0.5 CC(O)C(=O)[O-] P973 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.5 CC(O)C(=O)[O-] Z1915 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.5 CC(O)C(=O)[O-] Z1916 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.5 CC(O)C(N)=O 7066AF [1,1,0,0,0,0|1,0,1]=4 117 B5R0.5 C[C@H](O)C(N)=O 4862AC [1,1,0,0,0,0|1,0,1]=4 118 B5R0.2 CCCSC#N I565 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.2 COCCC=O Y8542 [1,1,0,0,0,0|0,0,2]=4 120 B5R0.2 CSC\C=N\O S678 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.2 FCCCCF 1855AE [1,1,0,0,0,0|1,0,0]=3 122 B5R0.2 NCCCCCl 5846AB [1,1,0,0,0,0|1,0,0]=3 123 B5R0.2 OC\C=C\CCl Y3343 [1,1,0,0,0,0|0,0,2]=4 124 B7R0.2 CN(C)CC(Cl)CCl S863 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.2 N[C@@H](CO)CC(=O)O 4626AA [0,2,0,0,0,0|1,0,1]=4 126 B7R0.3 CCC(C)OCCO 1705AL [0,2,0,0,0,0|0,0,0]=2 127 B7R0.3 CCCCC(N)CC 7820AF [0,2,0,0,0,0|2,0,0]=4 128 B7R0.3 NCC(Cl)CCCCl 1747AA [0,2,0,0,0,0|2,0,0]=4 129 B7R0.5 CC(=O)C(Cl)CCO X4477 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.5 CNC[C@H](N)C(=O)O Q369 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [0,2,0,0,0,0|1,0,1]=4 132 B7R0.5 NC(CCBr)C(=O)O 0872AA [0,2,0,0,0,0|1,0,1]=4 133 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [0,2,0,0,0,0|1,0,1]=4 134 B7R0.7 CCOP(C)OCC R038 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.10 BrCC(Br)C(Br)CBr F383 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.10 CCC(C)C(=O)SC U625 [0,2,0,0,0,0|0,0,2]=4 137 B7R0.10 COC(=O)C(C)CN X3684 [0,2,0,0,0,0|1,0,1]=4 138 B7R0.10 COC(=O)C(N)CO 0759AB [0,2,0,0,0,0|1,0,1]=4 139 B7R0.11 C#CC(C)(O)CCC 7764AF [0,2,0,0,0,0|1,0,1]=4 140 B7R0.11 CC(C)(\C=N\O)CO Y1439 [0,2,0,0,0,0|1,0,1]=4 141 B7R0.11 CCS(=O)(=O)CCO 4648AE [0,2,0,0,0,0|2,0,0]=4 142 B7R0.11 CSC(C)(C)\C=N\O S880 [0,2,0,0,0,0|1,0,1]=4 143 B7R0.12 C#CCN(CC)CC M293 [0,2,0,0,0,0|2,0,0]=4 144 B7R0.12 CCN(CC)CCBr 5536AL [0,2,0,0,0,0|2,0,0]=4 145 B7R0.12 CCN(CC)CCN 7337AB [0,2,0,0,0,0|2,0,0]=4 146 B7R0.12 CCN(CC)CCO 7101AA [0,2,0,0,0,0|1,0,0]=3 147 B7R0.12 [C-]#[N+]CC(OC)OC Y1561 [0,2,0,0,0,0|2,0,0]=4 148 B7R0.15 CCC(CO)[N+](=O)[O-] 7276AF [0,2,0,0,0,0|1,0,0]=3 149 B7R0.15 CC[C@H](CO)C(=O)O 1257AC [0,2,0,0,0,0|0,0,1]=3 150 B7R0.16 CC(C)N(C)C(C)C 7778AC [0,2,0,0,0,0|2,0,0]=4 151 B7R0.16 CC(N)C(N)C(=O)O 2357AB [0,2,0,0,0,0|1,0,1]=4 152 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O 5485AC [0,2,0,0,0,0|1,0,1]=4 153 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O 0965AB [0,2,0,0,0,0|1,0,1]=4 154 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O 9929AB [0,2,0,0,0,0|1,0,1]=4 155 B7R0.16 C[C@H](N)[C@H](N)C(=O)O 3674AA [0,2,0,0,0,0|1,0,1]=4 156 B7R0.18 CC[N+](C)(CC)CC 2482AB [0,2,0,0,0,0|2,0,0]=4 157 B7R0.18 NC(CO)(CO)CO V0926 [0,2,0,0,0,0|1,0,0]=3 158 B5R1.2 CC1CCN1 2132AL [1,0,0,1,0,0|1,0,0]=3 159 B5R1.2 NC1CNC1 X8588 [1,0,0,1,0,0|2,0,0]=4 160 B5R1.3 C=CC1CC1 3916AL [1,0,0,1,0,0|0,0,2]=4 161 B5R1.3 CCC1CN1 Y8453 [1,0,0,1,0,0|1,0,0]=3 162 B5R1.3 ClCC1CS1 Y8722 [1,0,0,1,0,0|1,1,0]=4 163 B5R1.4 CC1OC1C 5247AL [1,0,0,1,0,0|0,0,0]=2 164 B5R1.5 CC1(N)CC1 W4667 [1,0,0,1,0,0|1,0,0]=3 165 B5R1.1 C1CCOC1 V2332 [1,0,0,1,0,0|0,0,0]=2 166 B5R1.1 C1CNNC1 4465AJ [1,0,0,1,0,0|2,0,0]=4 167 B5R1.1 C1CNOC1 4176AJ [1,0,0,1,0,0|1,0,0]=3 168 B7R1.1 CO[C@@H]1CCNC1 Z2120 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.1 CO[C@H]1CCNC1 Z2151 [0,1,0,1,0,0|1,0,0]=3 170 B7R1.1 ClCC1CCCN1 1258AJ [0,1,0,1,0,0|1,0,0]=3 171 B7R1.1 Cl[Mg]C1CCCC1 Z3121 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.1 N#CC1CCCN1 Y9476 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.2 CC1C=CC(C)N1 Y9566 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.2 CC1CCC(=O)C1 7470AF [0,1,0,1,0,0|0,0,1]=3 175 B7R1.2 CC1CCC(C)N1 Y8778 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8295AH [0,1,0,1,0,0|1,0,0]=3 177 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8559AH [0,1,0,1,0,0|1,0,0]=3 178 B7R1.2 C[C@H]1CC[C@H](C)N1 8586AH [0,1,0,1,0,0|1,0,0]=3 179 B7R1.2 N[C@@H]1CC[C@@H](O)C1 6258AC [0,1,0,1,0,0|1,0,0]=3 180 B7R1.3 CC1CC=CCC1 6594AL [0,1,0,1,0,0|1,0,0]=3 181 B7R1.3 C[C@@H]1CCCCN1 W3754 [0,1,0,1,0,0|1,0,0]=3 182 B7R1.3 C[C@@H]1CCCNC1 8114AA [0,1,0,1,0,0|1,0,0]=3 183 B7R1.3 NC1CCCCN1 6271AB [0,1,0,1,0,0|2,0,0]=4 184 B7R1.3 NC1CCSCC1 V4406 [0,1,0,1,0,0|1,1,0]=4 185 B7R1.3 N[C@@H]1CCCOC1 X8827 [0,1,0,1,0,0|1,0,0]=3 186 B7R1.3 N[C@H]1CC=CCC1 9037AH [0,1,0,1,0,0|2,0,0]=4 187 B7R1.3 N[C@H]1CCCOC1 X6276 [0,1,0,1,0,0|1,0,0]=3 188 B7R1.3 OC1CC=CCC1 Y4155 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.4 C[C@@H]1CCC[C@H]1O S086 [0,1,0,1,0,0|0,0,0]=2 190 B7R1.4 N[C@@H]1CCC[C@H]1N X3520 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.4 N[C@@H]1CCC[C@H]1O 0541AC [0,1,0,1,0,0|1,0,0]=3 192 B7R1.4 O[C@H]1CNC[C@H]1O 5860AA [0,1,0,1,0,0|1,0,0]=3 193 B7R1.25 CC1(CN)CSC1 3849AD [0,1,0,1,0,0|1,0,0]=3 194 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [0,1,0,1,0,0|1,0,1]=4 195 B7R1.14 CC1(C)CCNC1 2277AL [0,1,0,1,0,0|1,0,0]=3 196 B7R2.11 C1CC2CC1N2 3085AJ [0,0,0,2,0,0|2,0,0]=4