0 B5R0.1 C#CCC(C)C 8172AJ [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C=C(Br)CCO X2989 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C=C(C)CCBr Z4377 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C=C(C)CCC 5700AL [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC(C)=CCBr Z1911 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC(C)CCI X5313 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.1 CC(C)CNN Z1645 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.1 CC(C)OC=O 7262AF [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(N)CCO Z2685 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CN(C)CC=O 4924AA [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 COCC(C)=O U020 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 COCC(C)N 0442AC [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 COC[C@@H](C)N W7467 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CSC=[N+](C)C 8446AL [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CSCC(C)=O Y1373 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CSCS(C)=O E772 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 C[C@H](N)CCO W7371 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 NCCC(N)=O 6432AB [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 NCCS(=O)O 0301AQ [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 O=C(O)CCI 7031AF [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 C#CC(C)N 6477AH [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 C=CC(C)O 6444AE [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 CC(Br)C#N X7909 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 CC(C)=CBr X6156 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 CC(C)CN 8086AL [1,0,0,0,0,0|0,0,0]=1 25 B4R0.1 CC(Cl)C#N 2066AL [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 CC(O)CCl 7057AF [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CCC(N)=S 9153AL [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CO[SiH](C)C 3278AL [1,0,0,0,0,0|1,1,0]=3 29 B4R0.1 NCC(F)F 9861AE [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 NCC(N)=O 1224AA [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 NCC(N)=O W7259 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 C#CCCI 6186AJ [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 C#CCCN 6476AH [1,0,0,0,0,0|0,0,2]=3 34 B4R0.2 C=CCCC 7306AF [1,0,0,0,0,0|1,0,1]=3 35 B4R0.2 C=CCCN 2362AH [1,0,0,0,0,0|0,0,2]=3 36 B4R0.2 C=CSCC 7899AL [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 CCC#CI 4805AL [1,0,0,0,0,0|1,0,2]=4 38 B4R0.2 CCCC#N A365 [1,0,0,0,0,0|0,0,2]=3 39 B4R0.2 CCCCC 8942AJ [1,0,0,0,0,0|1,0,0]=2 40 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|0,0,0]=1 41 B4R0.2 CCCCS 4787AL [1,0,0,0,0,0|1,0,0]=2 42 B4R0.2 CCNCC 7648AL [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 CCNCC 7649AL [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 CCOC=N M412 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 CNCCN X9276 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.2 CSCCO U461 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 C\C=C\CC 7309AF [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 ClCSCCl 7220AL [1,0,0,0,0,0|3,0,0]=4 50 B4R0.2 NCCCN 7173AL [1,0,0,0,0,0|1,0,0]=2 51 B4R0.2 NCCCO 5983AL [1,0,0,0,0,0|1,0,0]=2 52 B4R0.2 NCCON W5869 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 NOCCO 5251AJ [1,0,0,0,0,0|2,0,0]=3 54 B6R0.1 C=CC(O)CCC I123 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 CC(CO)CCN 2620AL [0,1,0,0,0,0|0,0,0]=1 56 B6R0.1 CCC(C)N=C=O 4892AD [0,1,0,0,0,0|2,0,1]=4 57 B6R0.1 CCC(O)COC 4893AL [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 CCCC(C)CCl 4812AL [0,1,0,0,0,0|1,0,0]=2 59 B6R0.1 CNC(=O)CCN 4757AE [0,1,0,0,0,0|1,0,1]=3 60 B6R0.1 C[C@@H](CO)CCN 4158AL [0,1,0,0,0,0|0,0,0]=1 61 B6R0.1 ClCC(Cl)CCBr 4770AL [0,1,0,0,0,0|2,0,0]=3 62 B6R0.1 OC(CCl)CCCl 4625AL [0,1,0,0,0,0|2,0,0]=3 63 B6R0.2 CC(=O)NC(C)C X8984 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.2 CC(C)CC(C)N X3873 [0,1,0,0,0,0|0,0,0]=1 65 B6R0.2 CC(C)NC(N)=O X3415 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.2 CC(C)OC(N)=O 7274AF [0,1,0,0,0,0|1,0,1]=3 67 B6R0.2 CC(Cl)CC(=O)O 7238AF [0,1,0,0,0,0|2,0,1]=4 68 B6R0.2 CC(N)CC(=O)O 3162AL [0,1,0,0,0,0|2,0,1]=4 69 B6R0.2 CC(O)CC(C)O 5338AL [0,1,0,0,0,0|2,0,0]=3 70 B6R0.2 CN(C)CC(N)=S 1262AJ [0,1,0,0,0,0|1,0,1]=3 71 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [0,1,0,0,0,0|2,0,0]=3 73 B6R0.2 C[C@H](N)CC(=O)O W5861 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [0,1,0,0,0,0|2,0,0]=3 75 B6R0.3 CC(C)C(=O)CBr W4222 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.3 CC(C)C(N)=NO 3115AC [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CC(CN)C(=O)O B714 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.3 CC(O)C(O)CO 4398AL [0,1,0,0,0,0|2,0,0]=3 79 B6R0.3 CCC(O)C(C)C 8275AB [0,1,0,0,0,0|1,0,0]=2 80 B6R0.3 CN(C)C(=O)CN Z5718 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.3 CN(C)C(=O)CO 4466AD [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 COC(=N)C(C)C V5712 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 COC(C)C(C)O V6491 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 C[C@H](CN)C(=O)O 5992AA [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 C[C@H](O)[C@@H](N)CO W6337 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.3 NCC(F)C(=O)O 5631AL [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 NCC(N)C(=O)O 3293AL [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 NCC(N)C(=O)O V0517 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 NCC(O)C(=O)O X2972 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.4 C=COCC(C)C 8720AJ [0,1,0,0,0,0|1,0,1]=3 92 B6R0.4 CC(Br)CCCBr 9465AB [0,1,0,0,0,0|2,0,0]=3 93 B6R0.4 CC(C)CN=C=O 6296AD [0,1,0,0,0,0|1,0,1]=3 94 B6R0.4 CC(C)SCCN 3448AF [0,1,0,0,0,0|0,0,0]=1 95 B6R0.4 CC(O)CCCO 1536AL [0,1,0,0,0,0|2,0,0]=3 96 B6R0.4 CCCSC(C)=O R568 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|1,0,0]=2 98 B6R0.4 CN(C)CCCBr W7153 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.4 CSCCC(C)=O L760 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.4 NCCCC(N)=O 5556AA [0,1,0,0,0,0|2,0,1]=4 101 B6R0.5 C=CCC(C)(C)O 1796AJ [0,1,0,0,0,0|1,0,1]=3 102 B6R0.5 C=CC[Si](C)(C)Cl 7041AL [0,1,0,0,0,0|1,1,1]=4 103 B6R0.5 CC(C)(C)NC=O 8674AL [0,1,0,0,0,0|2,0,1]=4 104 B6R0.5 CC(C)(N)CCO 3154AE [0,1,0,0,0,0|1,0,0]=2 105 B6R0.5 CC(C)(O)CC#N 3965AD [0,1,0,0,0,0|0,0,2]=3 106 B6R0.5 CC(C)(O)CCBr W5746 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.5 CCCC(C)(C)C 5139AL [0,1,0,0,0,0|1,0,0]=2 108 B6R0.5 CCCC(C)(C)O 5708AL [0,1,0,0,0,0|1,0,0]=2 109 B6R0.5 CCC[Si](C)(C)Cl 8662AL [0,1,0,0,0,0|1,1,0]=3 110 B6R0.5 CCOC(C)(C)C 7559AF [0,1,0,0,0,0|2,0,0]=3 111 B6R0.5 CNCC(C)(C)O 1773AJ [0,1,0,0,0,0|2,0,0]=3 112 B6R0.5 COCC(C)(C)O 1642AL [0,1,0,0,0,0|2,0,0]=3 113 B6R0.5 CS(=O)(=O)CCCl 4525AE [0,1,0,0,0,0|3,0,0]=4 114 B6R0.5 C[N+](C)(C)CC=O 0004AQ [0,1,0,0,0,0|2,0,1]=4 115 B6R0.5 C[N+](C)(C)CCO 7392AL [0,1,0,0,0,0|2,0,0]=3 116 B6R0.5 C\C=N\C(C)(C)C 0877AC [0,1,0,0,0,0|2,0,1]=4 117 B6R0.5 FC(F)(Cl)CCCl 0125AF [0,1,0,0,0,0|3,0,0]=4 118 B6R0.5 NCCP(=O)(O)O 0463AB [0,1,0,0,0,0|3,0,0]=4 119 B6R0.5 NNCC(F)(F)F X3513 [0,1,0,0,0,0|3,0,0]=4 120 B6R1.2 BrC1CCNC1 X9668 [0,0,0,1,0,0|1,0,0]=2 121 B6R1.2 BrC1CCOC1 W4135 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.2 CC1CCCN1 2138AL [0,0,0,1,0,0|2,0,0]=3 123 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|0,0,0]=1 124 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|0,0,0]=1 125 B6R1.2 ClC1CCCC1 H294 [0,0,0,1,0,0|2,0,0]=3 126 B6R1.2 ClC1CCOC1 X2032 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 N[C@@H]1CCOC1 X8829 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.2 O=C1CCNN1 W3840 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.2 O=C1CNCN1 X9977 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 O=S1CCCC1 X4814 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.3 BrCCC1CO1 4719AJ [0,0,0,1,0,0|2,0,0]=3 132 B6R1.3 CNCC1CC1 X2042 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.3 NCCC1CC1 4787AC [0,0,0,1,0,0|0,0,0]=1 134 B6R1.3 NCCC1CC1 9526AB [0,0,0,1,0,0|0,0,0]=1 135 B6R1.3 O=CNC1CC1 V6779 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.3 S=C=NC1CC1 5743AE [0,0,0,1,0,0|2,0,1]=4 137 B6R1.5 CC1CC(=O)O1 7160AL [0,0,0,1,0,0|2,0,1]=4 138 B6R1.5 NC1CC(O)C1 0869AA [0,0,0,1,0,0|1,0,0]=2 139 B6R1.5 NC1CC(O)C1 W6394 [0,0,0,1,0,0|1,0,0]=2 140 B6R1.5 O=C1CC(Br)C1 8034AD [0,0,0,1,0,0|2,0,1]=4 141 B6R1.10 CC1(C)CNC1 5732AJ [0,0,0,1,0,0|2,0,0]=3 142 B6R1.10 CC1(C)COC1 1326AQ [0,0,0,1,0,0|2,0,0]=3 143 B6R1.10 CC1(N)CCC1 9055AA [0,0,0,1,0,0|2,0,0]=3 144 B6R1.10 CC1(N)CCC1 X5278 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.10 CC1(N)CSC1 3915AF [0,0,0,1,0,0|3,0,0]=4 146 B6R1.10 CC1(O)CNC1 2353AJ [0,0,0,1,0,0|3,0,0]=4 147 B6R1.10 CC1(O)CNC1 3115AD [0,0,0,1,0,0|3,0,0]=4 148 B6R1.10 CC1(O)COC1 8260AA [0,0,0,1,0,0|3,0,0]=4 149 B6R1.11 CC(N)C1CC1 3131AE [0,0,0,1,0,0|2,0,0]=3 150 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|0,0,0]=2 151 B3R0.1 CCCS 7738AJ [2,0,0,0,0,0|1,0,0]=3 152 B3R0.1 CCNO X5655 [2,0,0,0,0,0|2,0,0]=4 153 B3R0.1 ClCCI 4811AL [2,0,0,0,0,0|2,0,0]=4 154 B3R0.1 FCCI V7660 [2,0,0,0,0,0|2,0,0]=4 155 B3R0.1 NCCN 7518AA [2,0,0,0,0,0|1,0,0]=3 156 B3R0.1 NCCN 8659AJ [2,0,0,0,0,0|1,0,0]=3 157 B3R0.2 C=C(C)C 5301AF [2,0,0,0,0,0|0,0,2]=4 158 B3R0.2 CC(=N)N 6978AL [2,0,0,0,0,0|1,0,1]=4 159 B3R0.2 [BH3-][NH+](C)C 8584AJ [2,0,0,0,0,0|2,0,0]=4 160 B5R0.3 C=CC(C)CC 6094AL [1,1,0,0,0,0|0,0,1]=3 161 B5R0.3 C=CC(O)CC 7733AJ [1,1,0,0,0,0|1,0,1]=4 162 B5R0.3 CCC(=O)NC 7273AF [1,1,0,0,0,0|1,0,1]=4 163 B5R0.3 CCC(C)C=O 7969AJ [1,1,0,0,0,0|0,0,1]=3 164 B5R0.3 CCC(C)CC 6117AL [1,1,0,0,0,0|0,0,0]=2 165 B5R0.3 CCC(C)CI 4886AL [1,1,0,0,0,0|0,0,0]=2 166 B5R0.3 CCC(C)NC 9511AE [1,1,0,0,0,0|0,0,0]=2 167 B5R0.3 CCC(C)NN 0007AD [1,1,0,0,0,0|1,0,0]=3 168 B5R0.3 CCC(O)CN 6349AA [1,1,0,0,0,0|1,0,0]=3 169 B5R0.3 CCN(C)CC 7490AH [1,1,0,0,0,0|1,0,0]=3 170 B5R0.3 CC[C@H](O)CO 1422AC [1,1,0,0,0,0|1,0,0]=3 171 B5R0.3 NC(CO)CO V0534 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.3 NCC(O)CCl Z2000 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.3 OCC(S)CS F878 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.4 C=CC(C)(C)C 5869AL [1,1,0,0,0,0|0,0,2]=4 175 B5R0.4 CC(C)(C)CN 8004AA [1,1,0,0,0,0|0,0,0]=2 176 B5R0.4 CC(C)(C)NO B804 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.4 CC(C)(F)CBr 5101AJ [1,1,0,0,0,0|1,0,0]=3 178 B5R0.4 CC(C)(N)CO 4971AH [1,1,0,0,0,0|1,0,0]=3 179 B5R0.4 CC(F)(F)CN V8232 [1,1,0,0,0,0|1,0,0]=3 180 B5R0.4 CCC(C)(C)Br 5515AL [1,1,0,0,0,0|0,0,0]=2 181 B5R0.4 CCC(C)(C)Cl 5561AL [1,1,0,0,0,0|0,0,0]=2 182 B5R0.4 CCS(C)(=O)=O F876 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.4 CO[Si](C)(C)C X3592 [1,1,0,0,0,0|1,1,0]=4 184 B5R0.4 C[N+](C)(C)CI 2479AE [1,1,0,0,0,0|2,0,0]=4 185 B5R0.4 C[Si](C)(C)CBr 4095AL [1,1,0,0,0,0|1,1,0]=4 186 B5R0.4 C[Si](C)(C)CO X6387 [1,1,0,0,0,0|1,1,0]=4 187 B5R0.4 C[Si](C)(Cl)CCl 8463AJ [1,1,0,0,0,0|1,1,0]=4 188 B5R0.5 CC(=O)N(C)C B355 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.5 CC(=O)[C@H](C)N 2350AA [1,1,0,0,0,0|1,0,1]=4 190 B5R0.5 CC(C)C(=O)[O-] 7249AF [1,1,0,0,0,0|1,0,1]=4 191 B5R0.5 CC(C)C(C)O 6096AL [1,1,0,0,0,0|0,0,0]=2 192 B5R0.5 CC(C)S(=O)[O-] 4057AH [1,1,0,0,0,0|2,0,0]=4 193 B5R0.5 CC(Cl)C(N)=O 9013AD [1,1,0,0,0,0|1,0,1]=4 194 B5R0.5 CC(N)C(N)=O 9942AE [1,1,0,0,0,0|1,0,1]=4 195 B5R0.5 CC(N)C(N)=O V6080 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.5 CC(S)C(C)S 9352AJ [1,1,0,0,0,0|1,0,0]=3 197 B5R0.5 C[C@@H](N)C(N)=O Z4641 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.2 C=CCCCN 2628AB [1,1,0,0,0,0|0,0,1]=3 199 B5R0.2 CC#CCCC 7448AF [1,1,0,0,0,0|1,0,1]=4 200 B5R0.2 CCCCON 7308AJ [1,1,0,0,0,0|0,0,0]=2 201 B5R0.2 CCCOC=O 8880AL [1,1,0,0,0,0|1,0,1]=4 202 B5R0.2 CCCSSC 8846AJ [1,1,0,0,0,0|2,0,0]=4 203 B5R0.2 CC\C=C/CC 7431AL [1,1,0,0,0,0|1,0,1]=4 204 B5R0.2 CC\C=C/CO 3214AL [1,1,0,0,0,0|1,0,1]=4 205 B5R0.2 CC\C=C\CC 3771AD [1,1,0,0,0,0|1,0,1]=4 206 B5R0.2 CNCCSC 7146AJ [1,1,0,0,0,0|1,0,0]=3 207 B5R0.2 COCCNN 5901AC [1,1,0,0,0,0|1,0,0]=3 208 B5R0.2 N#CCCCBr B613 [1,1,0,0,0,0|0,0,2]=4 209 B5R0.2 NCCCCBr 4038AB [1,1,0,0,0,0|0,0,0]=2 210 B5R0.2 NCCCCBr Z4484 [1,1,0,0,0,0|0,0,0]=2 211 B5R0.2 NCCCCCl 9859AB [1,1,0,0,0,0|0,0,0]=2 212 B5R0.2 OCCNCO 5459AL [1,1,0,0,0,0|2,0,0]=4 213 B7R0.2 CC(C)NC(=O)CN 6712AE [0,2,0,0,0,0|0,0,1]=3 214 B7R0.2 CC(C)OC(=O)CN Y6052 [0,2,0,0,0,0|0,0,1]=3 215 B7R0.2 CCC(=O)CC(C)C 9385AB [0,2,0,0,0,0|1,0,0]=3 216 B7R0.2 CCC(=O)OC(C)C 7522AF [0,2,0,0,0,0|1,0,1]=4 217 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [0,2,0,0,0,0|1,0,1]=4 218 B7R0.2 CNC(C)CC(C)C 2627AF [0,2,0,0,0,0|0,0,0]=2 219 B7R0.2 COC(=O)CC(C)C 8842AJ [0,2,0,0,0,0|1,0,1]=4 220 B7R0.2 C\C(CC(C)C)=N/O 6599AL [0,2,0,0,0,0|0,0,2]=4 221 B7R0.3 C=CCCC(Br)CBr 4446AL [0,2,0,0,0,0|2,0,0]=4 222 B7R0.3 CCC(C)CN=C=S 3700AE [0,2,0,0,0,0|1,0,1]=4 223 B7R0.3 CCCCC(Br)CC 6006AL [0,2,0,0,0,0|2,0,0]=4 224 B7R0.3 CCCC[C@@H](N)CO V7833 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.3 CCOCC(O)CCl 5717AB [0,2,0,0,0,0|2,0,0]=4 226 B7R0.3 COC(=O)CCCN 3563AL [0,2,0,0,0,0|1,0,1]=4 227 B7R0.3 OCCCC(O)CO 4412AL [0,2,0,0,0,0|2,0,0]=4 228 B7R0.5 CC(=O)N(C)CCO 4889AD [0,2,0,0,0,0|2,0,0]=4 229 B7R0.5 CC(C)C(=O)CC#N W5204 [0,2,0,0,0,0|0,0,2]=4 230 B7R0.5 CC(C)C(C)N=C=S 6785AD [0,2,0,0,0,0|1,0,1]=4 231 B7R0.5 CC(C)C(N)CCO 5799AJ [0,2,0,0,0,0|1,0,0]=3 232 B7R0.5 NCCC(N)C(=O)O X3169 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [0,2,0,0,0,0|1,0,1]=4 234 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|1,0,1]=4 235 B7R0.7 CCCC(C)CC=S U658 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.7 CCCC(C)CCC 6609AL [0,2,0,0,0,0|1,0,0]=3 237 B7R0.7 CCCC(C)N=C=S 6786AD [0,2,0,0,0,0|1,0,1]=4 238 B7R0.7 CCCC(O)CCC 6512AL [0,2,0,0,0,0|2,0,0]=4 239 B7R0.7 CCCC(S)CCO U459 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.7 CCNC(C)CCO 9482AE [0,2,0,0,0,0|1,0,0]=3 241 B7R0.7 CCOC(C)OCC U086 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.7 CN(CCN)CCN 8596AL [0,2,0,0,0,0|1,0,0]=3 243 B7R0.10 CCC(C)C(=O)NN 8409AE [0,2,0,0,0,0|1,0,1]=4 244 B7R0.10 CC[C@@H](C)[C@@H](N)CO G876 [0,2,0,0,0,0|1,0,0]=3 245 B7R0.10 O[C@@H](CS)[C@@H](O)CS 7309AH [0,2,0,0,0,0|2,0,0]=4 246 B7R0.11 C[N+](C)(CF)CCO 3959AE [0,2,0,0,0,0|2,0,0]=4 247 B7R0.9 CC(Br)CC(F)(F)Br 2773AE [0,2,0,0,0,0|2,0,0]=4 248 B7R0.9 CC(C)(C)NC(N)=O 7334AF [0,2,0,0,0,0|1,0,1]=4 249 B7R0.9 CC(I)CC(F)(F)F 5257AE [0,2,0,0,0,0|2,0,0]=4 250 B7R0.16 CC(C)C(C)C(=O)O 6994AA [0,2,0,0,0,0|1,0,1]=4 251 B7R0.16 CC(C)C(N)C(N)=O 3528AF [0,2,0,0,0,0|0,0,1]=3 252 B7R0.16 CC(C)[C@@H](Br)C(=O)O N107 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.16 CC(C)[C@H](Br)C(=O)O M886 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.16 CC(C)[C@H](N)C(N)=O 7258AH [0,2,0,0,0,0|0,0,1]=3 255 B7R0.16 CC(C)[SiH](Cl)C(C)C 8579AJ [0,2,0,0,0,0|1,1,0]=4 256 B7R0.16 CC(N)C(=O)N(C)C 3024AD [0,2,0,0,0,0|1,0,1]=4 257 B7R0.13 CCS(=O)(=O)C(C)C 7881AL [0,2,0,0,0,0|2,0,0]=4 258 B7R0.14 CC(C)(C)C(=O)CN 3787AB [0,2,0,0,0,0|0,0,1]=3 259 B7R0.14 CC(C)(C)C(N)CO 1480AJ [0,2,0,0,0,0|1,0,0]=3 260 B7R0.14 CCC(=O)C(C)(C)C Y9483 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.14 NCC(O)C(F)(F)F 5967AB [0,2,0,0,0,0|2,0,0]=4 262 B7R0.15 CCC(CO)N(C)C 5536AD [0,2,0,0,0,0|2,0,0]=4 263 B7R0.4 CC(C)NCCCO 0839AE [0,2,0,0,0,0|1,0,0]=3 264 B7R0.4 CCC#CCC(C)O 6519AL [0,2,0,0,0,0|2,0,0]=4 265 B7R0.4 CN(C)CCCC#N X6979 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.6 CC(Br)CCC(C)Br V1473 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,2,0,0,0,0|1,0,0]=3 268 B7R0.6 CC(C)OCC(=O)O 0549AE [0,2,0,0,0,0|1,0,1]=4 269 B7R0.6 CC(C)SSC(C)C W6227 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [0,2,0,0,0,0|2,0,0]=4 271 B7R0.6 CC(O)CCC(C)O Q324 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.6 CN(C)CCN(C)C 2336AA [0,2,0,0,0,0|1,0,0]=3 273 B7R0.6 CP(C)CCP(C)C X1004 [0,2,0,0,0,0|1,1,0]=4 274 B7R0.6 C[C@@H](O)CC[C@@H](C)O 4049AL [0,2,0,0,0,0|2,0,0]=4 275 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,2,0,0,0,0|2,0,0]=4 276 B7R0.8 C=CCNC(C)(C)C 8484AL [0,2,0,0,0,0|1,0,1]=4 277 B7R0.8 CC(C)(C)OCCN 4886AH [0,2,0,0,0,0|0,0,0]=2 278 B7R0.8 CCCCC(C)(C)O 7817AF [0,2,0,0,0,0|1,0,0]=3 279 B7R0.8 CNCCS(C)(=O)=O V4175 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.8 NCCOC(F)(F)F 1884AF [0,2,0,0,0,0|2,0,0]=4 281 B5R1.2 BrC1CNC1 7707AB [1,0,0,1,0,0|1,0,0]=3 282 B5R1.2 CC1CNC1 W9623 [1,0,0,1,0,0|0,0,0]=2 283 B5R1.2 ClC1CCC1 Z7366 [1,0,0,1,0,0|1,0,0]=3 284 B5R1.2 ClC1CNC1 3365AB [1,0,0,1,0,0|1,0,0]=3 285 B5R1.2 FC1CNC1 X3056 [1,0,0,1,0,0|1,0,0]=3 286 B5R1.2 NC1CNC1 0554AA [1,0,0,1,0,0|1,0,0]=3 287 B5R1.2 NC1COC1 6668AB [1,0,0,1,0,0|2,0,0]=4 288 B5R1.2 OC1CNC1 W6360 [1,0,0,1,0,0|1,0,0]=3 289 B5R1.3 CC[C@H]1CO1 7482AJ [1,0,0,1,0,0|1,0,0]=3 290 B5R1.3 NCC1CC1 Y1835 [1,0,0,1,0,0|0,0,0]=2 291 B5R1.5 CC1(N)CC1 W9186 [1,0,0,1,0,0|1,0,0]=3 292 B5R1.1 C1=CCCC1 7379AF [1,0,0,1,0,0|1,0,1]=4 293 B5R1.1 C1CCCC1 8499AJ [1,0,0,1,0,0|1,0,0]=3 294 B7R1.1 CNC1CCCC1 W8261 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.1 CNC1CCCC1 Z4480 [0,1,0,1,0,0|1,0,0]=3 296 B7R1.1 COC1CCNC1 Z2737 [0,1,0,1,0,0|0,0,0]=2 297 B7R1.1 CO[C@@H]1CCNC1 Z4777 [0,1,0,1,0,0|0,0,0]=2 298 B7R1.1 CO[C@H]1CCNC1 Z5035 [0,1,0,1,0,0|0,0,0]=2 299 B7R1.1 ICC1CCOC1 3884AL [0,1,0,1,0,0|1,0,0]=3 300 B7R1.1 NCC1CCCC1 W7173 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.1 NCC1CCCN1 W7106 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.1 NCC1CCCN1 W7375 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.1 NC[C@@H]1CCCN1 0819AA [0,1,0,1,0,0|2,0,0]=4 304 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.1 NNC1CCCC1 W7612 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,1,0,1,0,0|0,0,0]=2 307 B7R1.1 OC[C@@H]1CCNC1 Z7301 [0,1,0,1,0,0|0,0,0]=2 308 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,1,0,1,0,0|1,0,0]=3 309 B7R1.1 OC[C@H]1CCNC1 1914AA [0,1,0,1,0,0|0,0,0]=2 310 B7R1.2 CC1CCC(=O)N1 1659AA [0,1,0,1,0,0|2,0,0]=4 311 B7R1.2 CN1CCC(N)C1 9936AH [0,1,0,1,0,0|1,0,0]=3 312 B7R1.2 CN1CCC(N)C1 X9823 [0,1,0,1,0,0|1,0,0]=3 313 B7R1.2 CN1CC[C@@H](N)C1 3935AE [0,1,0,1,0,0|1,0,0]=3 314 B7R1.2 NC1CCC(O)C1 X9254 [0,1,0,1,0,0|1,0,0]=3 315 B7R1.2 N[C@@H]1CC[C@H](O)C1 4920AA [0,1,0,1,0,0|1,0,0]=3 316 B7R1.2 OC1CCC(O)C1 7614AJ [0,1,0,1,0,0|2,0,0]=4 317 B7R1.3 BrC1CCCOC1 X9769 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.3 BrC1CCOCC1 W4892 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,1,0,0|0,0,1]=3 320 B7R1.3 CC1COCCN1 W6211 [0,1,0,1,0,0|1,0,0]=3 321 B7R1.3 CN1CCNCC1 4120AB [0,1,0,1,0,0|1,0,0]=3 322 B7R1.3 C[C@@H]1CNCCO1 8974AH [0,1,0,1,0,0|0,0,0]=2 323 B7R1.3 C[C@@H]1CNCCO1 W3662 [0,1,0,1,0,0|0,0,0]=2 324 B7R1.3 C[C@@H]1COCCN1 X4857 [0,1,0,1,0,0|1,0,0]=3 325 B7R1.3 C[C@H]1CNCCO1 W8218 [0,1,0,1,0,0|0,0,0]=2 326 B7R1.3 C[C@H]1COCCN1 X4748 [0,1,0,1,0,0|1,0,0]=3 327 B7R1.3 ClC1CCNCC1 7684AB [0,1,0,1,0,0|1,0,0]=3 328 B7R1.3 ClC1CCNCC1 Q214 [0,1,0,1,0,0|1,0,0]=3 329 B7R1.3 NC1CCCNC1 5237AE [0,1,0,1,0,0|1,0,0]=3 330 B7R1.3 NC1CCCOC1 X9447 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.3 NC1CCSCC1 W4711 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.3 N[C@@H]1CCCOC1 5857AA [0,1,0,1,0,0|2,0,0]=4 333 B7R1.3 O=C1CCCNC1 7001AB [0,1,0,1,0,0|1,0,1]=4 334 B7R1.3 O=C1CCNCC1 5781AB [0,1,0,1,0,0|1,0,1]=4 335 B7R1.3 OC1CCSCC1 W5218 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.3 O[C@@H]1CCCNC1 9408AB [0,1,0,1,0,0|1,0,0]=3 337 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|0,0,1]=3 338 B7R1.4 CC1CCOC1=O W3659 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,1,0,0|1,0,1]=4 340 B7R1.4 NC1CCCC1O W9232 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,1,0,0|1,0,1]=4 342 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.4 N[C@@H]1COC[C@@H]1N X8658 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.4 N[C@@H]1COC[C@H]1O 4689AJ [0,1,0,1,0,0|2,0,0]=4 346 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.4 OC1CCCC1O 5008AJ [0,1,0,1,0,0|2,0,0]=4 348 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [0,1,0,1,0,0|2,0,0]=4 349 B7R1.4 O[C@H]1CNC[C@@H]1O Z5315 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.6 CCOC1CNC1 V6478 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.6 COCC1CNC1 2582AD [0,1,0,1,0,0|2,0,0]=4 352 B7R1.6 COCC1CNC1 Z5376 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.6 OCCC1COC1 1983AB [0,1,0,1,0,0|1,0,0]=3 354 B7R1.10 CCN1CC(N)C1 9834AH [0,1,0,1,0,0|1,0,0]=3 355 B7R1.10 CCN1CC(O)C1 4525AB [0,1,0,1,0,0|2,0,0]=4 356 B7R1.10 OCC1CC(Cl)C1 8034AA [0,1,0,1,0,0|1,0,0]=3 357 B7R1.25 CC1(CI)COC1 Z7396 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.25 CC1(CN)COC1 W3338 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.25 CC1(CO)CSC1 5905AE [0,1,0,1,0,0|2,0,0]=4 360 B7R1.25 COC1(C)CNC1 5082AC [0,1,0,1,0,0|2,0,0]=4 361 B7R1.25 NCC1(O)CCC1 W3913 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.16 NC1CC(F)(F)C1 W8480 [0,1,0,1,0,0|1,0,0]=3 363 B7R1.18 CC(O)C1CCC1 W8263 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.18 CN(C)C1CNC1 3640AF [0,1,0,1,0,0|1,0,0]=3 365 B7R1.18 CN(C)C1CNC1 X9606 [0,1,0,1,0,0|1,0,0]=3 366 B7R1.7 BrCC#CC1CC1 4740AJ [0,1,0,1,0,0|1,0,1]=4 367 B7R1.7 CCCCC1CO1 4465AL [0,1,0,1,0,0|2,0,0]=4 368 B7R1.7 ClCCOC1CC1 Y8014 [0,1,0,1,0,0|1,0,0]=3 369 B7R1.7 S=C=NCC1CC1 Y9597 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.14 CC1(C)CCCN1 W7438 [0,1,0,1,0,0|0,0,0]=2 371 B7R1.14 CC1(O)CCNC1 Y1200 [0,1,0,1,0,0|0,0,0]=2 372 B7R1.14 CC1(O)CCNC1 Y7315 [0,1,0,1,0,0|0,0,0]=2 373 B7R1.14 FC1(F)CCNC1 W3565 [0,1,0,1,0,0|1,0,0]=3 374 B7R2.5 NC12CC(C1)C2 7628AD [0,0,0,2,0,0|0,0,0]=2