0 B4R0.2 C#CCCI 6186AJ [0,0,0,0,0,0|2,0,2]=4 1 B4R0.2 C#CCCN 6476AH [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 C=CCCC 7306AF [0,0,0,0,0,0|1,0,2]=3 3 B4R0.2 C=CCCN 2362AH [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 C=CSCC 7899AL [0,0,0,0,0,0|0,0,2]=2 5 B4R0.2 CCC#CI 4805AL [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 CCCC#N A365 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 CCCCC 8942AJ [0,0,0,0,0,0|1,0,0]=1 8 B4R0.2 CCCCN 7306AL [0,0,0,0,0,0|2,0,0]=2 9 B4R0.2 CCCCS 4787AL [0,0,0,0,0,0|2,0,0]=2 10 B4R0.2 CCNCC 7648AL [0,0,0,0,0,0|1,0,0]=1 11 B4R0.2 CCNCC 7649AL [0,0,0,0,0,0|1,0,0]=1 12 B4R0.2 CCNCC 7650AL [0,0,0,0,0,0|1,0,0]=1 13 B4R0.2 CCOC=N M412 [0,0,0,0,0,0|1,1,1]=3 14 B4R0.2 CNCCN X9276 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.2 CO[Ca]OC 9618AJ [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 CSCCO U461 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 CSSSC 8583AJ [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 C\C=C\CC 7309AF [0,0,0,0,0,0|1,0,1]=2 19 B4R0.2 C\C=C\OC 1641AL [0,0,0,0,0,0|2,0,1]=3 20 B4R0.2 ClCSCCl 7220AL [0,0,0,0,0,0|2,0,0]=2 21 B4R0.2 NCCCN 7173AL [0,0,0,0,0,0|3,0,0]=3 22 B4R0.2 NCCCO 5983AL [0,0,0,0,0,0|3,0,0]=3 23 B4R0.2 NCCON W5869 [0,0,0,0,0,0|4,0,0]=4 24 B4R0.2 NOCCO 5251AJ [0,0,0,0,0,0|4,0,0]=4 25 B3R0.1 CCCN 8883AL [1,0,0,0,0,0|1,0,0]=2 26 B3R0.1 CCCS 7738AJ [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 CCNO X5655 [1,0,0,0,0,0|2,0,0]=3 28 B3R0.1 ClCCI 4811AL [1,0,0,0,0,0|2,0,0]=3 29 B3R0.1 FCCI V7660 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 N#CCI 8711AJ [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 NCCN 7518AA [1,0,0,0,0,0|2,0,0]=3 32 B3R0.1 NCCN 8659AJ [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 [Li]SC#N 8420AF [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 C#CCC(C)C 8172AJ [0,1,0,0,0,0|1,0,2]=4 35 B5R0.1 C=C(C)CCBr Z4377 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 C=C(C)CCC 5700AL [0,1,0,0,0,0|1,0,1]=3 37 B5R0.1 CC(C)=CCBr Z1911 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(C)CCI X5313 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(C)CNN Z1645 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.1 CC(C)OC=O 7262AF [0,1,0,0,0,0|1,1,1]=4 41 B5R0.1 CC(N)CCO Z2685 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.1 CNOC(C)=O 8699AL [0,1,0,0,0,0|1,1,1]=4 43 B5R0.1 COCC(C)=O U020 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.1 COCC(C)N 0442AC [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 COC[C@@H](C)N W7467 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.1 CSC=[N+](C)C 8446AL [0,1,0,0,0,0|3,0,0]=4 47 B5R0.1 CSCC(C)=O Y1373 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 CSCS(C)=O E772 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.1 C[C@H](N)CCO W7371 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.2 C=CCCCN 2628AB [0,1,0,0,0,0|1,0,2]=4 51 B5R0.2 CC#CCCC 7448AF [0,1,0,0,0,0|1,0,1]=3 52 B5R0.2 CCCCON 7308AJ [0,1,0,0,0,0|2,0,0]=3 53 B5R0.2 CCCOC=O 8880AL [0,1,0,0,0,0|1,1,1]=4 54 B5R0.2 CCCSSC 8846AJ [0,1,0,0,0,0|1,0,0]=2 55 B5R0.2 CC\C=C/CC 7431AL [0,1,0,0,0,0|1,0,0]=2 56 B5R0.2 CC\C=C/CO 3214AL [0,1,0,0,0,0|1,0,1]=3 57 B5R0.2 CC\C=C\CC 3771AD [0,1,0,0,0,0|1,0,0]=2 58 B5R0.2 CNCCSC 7146AJ [0,1,0,0,0,0|2,0,0]=3 59 B5R0.2 COCCNN 5901AC [0,1,0,0,0,0|3,0,0]=4 60 B5R0.2 C\C=C\C=C\C 5333AL [0,1,0,0,0,0|1,0,2]=4 61 B5R0.2 N#CCCCBr B613 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.2 NCCCCBr 4038AB [0,1,0,0,0,0|2,0,0]=3 63 B5R0.2 NCCCCBr Z4484 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.2 NCCCCCl 9859AB [0,1,0,0,0,0|2,0,0]=3 65 B5R0.2 OCCNCO 5459AL [0,1,0,0,0,0|2,0,0]=3 66 B5R0.2 S=C=NCCBr 4566AD [0,1,0,0,0,0|2,0,1]=4 67 B5R0.3 C=CC(C)CC 6094AL [0,1,0,0,0,0|1,0,2]=4 68 B5R0.3 C=CC(O)CC 7733AJ [0,1,0,0,0,0|1,0,2]=4 69 B5R0.3 CCC(=O)NC 7273AF [0,1,0,0,0,0|2,0,0]=3 70 B5R0.3 CCC(=O)NN 6023AE [0,1,0,0,0,0|3,0,0]=4 71 B5R0.3 CCC(C)C=O 7969AJ [0,1,0,0,0,0|2,0,1]=4 72 B5R0.3 CCC(C)CC 6117AL [0,1,0,0,0,0|1,0,0]=2 73 B5R0.3 CCC(C)CI 4886AL [0,1,0,0,0,0|2,0,0]=3 74 B5R0.3 CCC(C)NC 9511AE [0,1,0,0,0,0|2,0,0]=3 75 B5R0.3 CCC(C)NN 0007AD [0,1,0,0,0,0|3,0,0]=4 76 B5R0.3 CCC(O)CN 6349AA [0,1,0,0,0,0|2,0,0]=3 77 B5R0.3 CCN(C)CC 7490AH [0,1,0,0,0,0|1,0,0]=2 78 B5R0.3 CC[C@H](O)CO 1422AC [0,1,0,0,0,0|2,0,0]=3 79 B5R0.3 CC\C(N)=N\O 9295AD [0,1,0,0,0,0|3,0,0]=4 80 B5R0.3 COS(=O)OC 6871AF [0,1,0,0,0,0|2,0,1]=4 81 B5R0.3 CS\C(O)=[SH]/C K552 [0,1,0,0,0,0|3,0,0]=4 82 B5R0.3 NC(CO)CO V0534 [0,1,0,0,0,0|3,0,0]=4 83 B5R0.3 NCC(O)CCl Z2000 [0,1,0,0,0,0|3,0,0]=4 84 B5R0.3 OCC(S)CS F878 [0,1,0,0,0,0|3,0,0]=4 85 B5R1.1 C1=CCCC1 7379AF [0,0,0,1,0,0|1,0,1]=3 86 B5R1.1 C1CCCC1 8499AJ [0,0,0,1,0,0|1,0,0]=2 87 B5R1.2 BrC1CNC1 7707AB [0,0,0,1,0,0|3,0,0]=4 88 B5R1.2 CC1CNC1 W9623 [0,0,0,1,0,0|2,0,0]=3 89 B5R1.2 ClC1CCC1 Z7366 [0,0,0,1,0,0|2,0,0]=3 90 B5R1.2 ClC1CNC1 3365AB [0,0,0,1,0,0|3,0,0]=4 91 B5R1.2 FC1CNC1 X3056 [0,0,0,1,0,0|3,0,0]=4 92 B5R1.2 NC1CNC1 0554AA [0,0,0,1,0,0|3,0,0]=4 93 B5R1.2 NC1COC1 6668AB [0,0,0,1,0,0|3,0,0]=4 94 B5R1.2 O=C1CCN1 W9581 [0,0,0,1,0,0|2,0,1]=4 95 B5R1.2 OC1CNC1 W6360 [0,0,0,1,0,0|3,0,0]=4 96 B5R1.3 CC[C@H]1CO1 7482AJ [0,0,0,1,0,0|2,0,0]=3 97 B5R1.3 NCC1CC1 Y1835 [0,0,0,1,0,0|2,0,0]=3 98 B2R0.1 CC#N 7219AA [2,0,0,0,0,0|1,0,1]=4 99 B2R0.1 CCN 7900AL [2,0,0,0,0,0|1,0,0]=3 100 B2R0.1 CNC 7704AL [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 C#CC(C)N 6477AH [1,1,0,0,0,0|0,0,2]=4 102 B4R0.1 C=CC(C)O 6444AE [1,1,0,0,0,0|0,0,2]=4 103 B4R0.1 CC(Br)C#N X7909 [1,1,0,0,0,0|1,0,1]=4 104 B4R0.1 CC(C)CN 8086AL [1,1,0,0,0,0|1,0,0]=3 105 B4R0.1 CC(Cl)C#N 2066AL [1,1,0,0,0,0|1,0,1]=4 106 B4R0.1 CC(O)CCl 7057AF [1,1,0,0,0,0|1,0,0]=3 107 B4R0.1 CCC(N)=S 9153AL [1,1,0,0,0,0|1,0,1]=4 108 B4R0.1 CO[SiH](C)C 3278AL [1,1,0,0,0,0|0,2,0]=4 109 B4R0.1 NCC(F)F 9861AE [1,1,0,0,0,0|2,0,0]=4 110 B6R0.1 C=CC(O)CCC I123 [0,2,0,0,0,0|1,0,1]=4 111 B6R0.1 CC(CO)CCN 2620AL [0,2,0,0,0,0|2,0,0]=4 112 B6R0.1 CCC(=O)CC#N 0486AE [0,2,0,0,0,0|1,0,1]=4 113 B6R0.1 CCC(O)COC 4893AL [0,2,0,0,0,0|1,0,0]=3 114 B6R0.1 CCCC(C)CCl 4812AL [0,2,0,0,0,0|1,0,0]=3 115 B6R0.1 CCNC(=O)CC 8553AL [0,2,0,0,0,0|1,0,0]=3 116 B6R0.1 CCOC(=O)CI 7240AF [0,2,0,0,0,0|0,1,1]=4 117 B6R0.1 CCOC(=O)OC 7884AL [0,2,0,0,0,0|0,1,1]=4 118 B6R0.1 CNC(=O)CCN 4757AE [0,2,0,0,0,0|2,0,0]=4 119 B6R0.1 C[C@@H](CO)CCN 4158AL [0,2,0,0,0,0|2,0,0]=4 120 B6R0.1 C\C=C\C(=O)CC 2730AL [0,2,0,0,0,0|1,0,1]=4 121 B6R0.1 ClCC(Cl)CCBr 4770AL [0,2,0,0,0,0|2,0,0]=4 122 B6R0.1 OC(CCl)CCCl 4625AL [0,2,0,0,0,0|2,0,0]=4 123 B6R0.2 CC(=O)NC(C)C X8984 [0,2,0,0,0,0|1,0,1]=4 124 B6R0.2 CC(C)CC(C)N X3873 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.2 CC(O)CC(C)O 5338AL [0,2,0,0,0,0|1,0,0]=3 126 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [0,2,0,0,0,0|1,0,0]=3 127 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [0,2,0,0,0,0|1,0,0]=3 128 B6R0.3 CC(C)C(=O)CBr W4222 [0,2,0,0,0,0|2,0,0]=4 129 B6R0.3 CC(O)C(O)CO 4398AL [0,2,0,0,0,0|2,0,0]=4 130 B6R0.3 CCC(=O)C(C)=O 7386AF [0,2,0,0,0,0|1,0,1]=4 131 B6R0.3 CCC(O)C(C)C 8275AB [0,2,0,0,0,0|1,0,0]=3 132 B6R0.3 CNC(=O)C(C)Cl 3091AE [0,2,0,0,0,0|2,0,0]=4 133 B6R0.3 COC(=N)C(C)C V5712 [0,2,0,0,0,0|2,0,0]=4 134 B6R0.3 COC(C)C(C)O V6491 [0,2,0,0,0,0|2,0,0]=4 135 B6R0.3 C[C@H](O)[C@@H](N)CO W6337 [0,2,0,0,0,0|2,0,0]=4 136 B6R0.4 CC(Br)CCCBr 9465AB [0,2,0,0,0,0|1,0,0]=3 137 B6R0.4 CC(C)SCCN 3448AF [0,2,0,0,0,0|0,0,0]=2 138 B6R0.4 CC(O)CCCO 1536AL [0,2,0,0,0,0|1,0,0]=3 139 B6R0.4 CCC#CC(C)=O 6057AL [0,2,0,0,0,0|1,0,1]=4 140 B6R0.4 CCCCC(=N)N 1867AA [0,2,0,0,0,0|1,0,1]=4 141 B6R0.4 CCCCC(=N)N 9567AA [0,2,0,0,0,0|1,0,1]=4 142 B6R0.4 CCCSC(C)=O R568 [0,2,0,0,0,0|0,0,1]=3 143 B6R0.4 CCCSC(C)C 8111AL [0,2,0,0,0,0|0,0,0]=2 144 B6R0.4 CCNCC(=O)O X5133 [0,2,0,0,0,0|1,0,1]=4 145 B6R0.4 CN(C)CCCBr W7153 [0,2,0,0,0,0|2,0,0]=4 146 B6R0.4 CSCCC(C)=O L760 [0,2,0,0,0,0|1,0,1]=4 147 B6R0.5 CC(C)(N)CCO 3154AE [0,2,0,0,0,0|2,0,0]=4 148 B6R0.5 CC(C)(O)CCBr W5746 [0,2,0,0,0,0|2,0,0]=4 149 B6R0.5 CCCC(C)(C)C 5139AL [0,2,0,0,0,0|1,0,0]=3 150 B6R0.5 CCCC(C)(C)O 5708AL [0,2,0,0,0,0|1,0,0]=3 151 B6R0.5 CCC[Si](C)(C)Cl 8662AL [0,2,0,0,0,0|1,1,0]=4 152 B6R0.5 CCOC(C)(C)C 7559AF [0,2,0,0,0,0|0,1,0]=3 153 B6R0.5 CNCC(C)(C)O 1773AJ [0,2,0,0,0,0|2,0,0]=4 154 B6R0.5 COCC(C)(C)O 1642AL [0,2,0,0,0,0|2,0,0]=4 155 B6R0.5 C\C=N\C(C)(C)C 0877AC [0,2,0,0,0,0|1,0,1]=4 156 B6R0.6 BrCC[NH2+]CCBr W6266 [0,2,0,0,0,0|1,0,0]=3 157 B6R0.6 C#CCCCCBr 0285AC [0,2,0,0,0,0|1,0,1]=4 158 B6R0.6 C#CCCCCCl Z1919 [0,2,0,0,0,0|1,0,1]=4 159 B6R0.6 C#CCCCCI 1166AQ [0,2,0,0,0,0|1,0,1]=4 160 B6R0.6 C=CCCCCCl X6224 [0,2,0,0,0,0|1,0,1]=4 161 B6R0.6 CCC#CCCO 5338AH [0,2,0,0,0,0|1,0,0]=3 162 B6R0.6 CCCC#CCO V0624 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.6 CCCCSCC 7568AF [0,2,0,0,0,0|0,0,0]=2 164 B6R0.6 CCCNCCO 8316AA [0,2,0,0,0,0|1,0,0]=3 165 B6R0.6 CCSSSCC U690 [0,2,0,0,0,0|0,0,0]=2 166 B6R0.6 CNCCCCO 5794AB [0,2,0,0,0,0|1,0,0]=3 167 B6R0.6 C\C=C/CCCO 7448AL [0,2,0,0,0,0|1,0,1]=4 168 B6R0.6 ICCOCCI 4098AB [0,2,0,0,0,0|0,1,0]=3 169 B6R0.6 NCCOCCN 9093AB [0,2,0,0,0,0|0,1,0]=3 170 B6R0.6 SCCCCCS 7344AF [0,2,0,0,0,0|1,0,0]=3 171 B6R0.6 SCCOCCS 5152AL [0,2,0,0,0,0|0,1,0]=3 172 B6R0.9 CC=C(CC)CC 6043AL [0,2,0,0,0,0|1,0,0]=3 173 B6R0.9 CCN(CC)CC C978 [0,2,0,0,0,0|1,0,0]=3 174 B6R0.9 CCN(CC)CC X6424 [0,2,0,0,0,0|1,0,0]=3 175 B6R1.2 BrC1CCNC1 X9668 [0,1,0,1,0,0|1,0,0]=3 176 B6R1.2 BrC1CCOC1 W4135 [0,1,0,1,0,0|0,1,0]=3 177 B6R1.2 CC1=NCCN1 5706AL [0,1,0,1,0,0|1,0,1]=4 178 B6R1.2 CC1=NCCS1 5709AL [0,1,0,1,0,0|0,0,1]=3 179 B6R1.2 CC1CCCN1 2138AL [0,1,0,1,0,0|1,0,0]=3 180 B6R1.2 C[C@@H]1CCNC1 1585AB [0,1,0,1,0,0|1,0,0]=3 181 B6R1.2 C[C@H]1CCNC1 W4034 [0,1,0,1,0,0|1,0,0]=3 182 B6R1.2 ClC1CCCC1 H294 [0,1,0,1,0,0|1,0,0]=3 183 B6R1.2 ClC1CCOC1 X2032 [0,1,0,1,0,0|0,1,0]=3 184 B6R1.2 N=C1CCCS1 V6112 [0,1,0,1,0,0|0,0,1]=3 185 B6R1.2 N[C@@H]1CCOC1 X8829 [0,1,0,1,0,0|0,1,0]=3 186 B6R1.2 O=S1CCCC1 X4814 [0,1,0,1,0,0|0,0,1]=3 187 B6R1.2 S=C1CCCN1 7821AD [0,1,0,1,0,0|1,0,1]=4 188 B6R1.3 BrCCC1CO1 4719AJ [0,1,0,1,0,0|2,0,0]=4 189 B6R1.3 CNCC1CC1 X2042 [0,1,0,1,0,0|1,0,0]=3 190 B6R1.3 NCCC1CC1 4787AC [0,1,0,1,0,0|1,0,0]=3 191 B6R1.3 NCCC1CC1 9526AB [0,1,0,1,0,0|1,0,0]=3 192 B6R1.5 CC1CC(=O)O1 7160AL [0,1,0,1,0,0|0,1,1]=4 193 B6R1.5 NC1CC(O)C1 0869AA [0,1,0,1,0,0|2,0,0]=4 194 B6R1.5 NC1CC(O)C1 W6394 [0,1,0,1,0,0|2,0,0]=4 195 B6R1.10 CC1(C)CNC1 5732AJ [0,1,0,1,0,0|2,0,0]=4 196 B6R1.10 CC1(C)COC1 1326AQ [0,1,0,1,0,0|2,0,0]=4 197 B6R1.10 CC1(N)CCC1 9055AA [0,1,0,1,0,0|1,0,0]=3 198 B6R1.10 CC1(N)CCC1 X5278 [0,1,0,1,0,0|1,0,0]=3 199 B6R1.10 CC1(N)CSC1 3915AF [0,1,0,1,0,0|2,0,0]=4 200 B6R1.10 CC1(O)CNC1 2353AJ [0,1,0,1,0,0|2,0,0]=4 201 B6R1.10 CC1(O)CNC1 3115AD [0,1,0,1,0,0|2,0,0]=4 202 B6R1.10 CC1(O)COC1 8260AA [0,1,0,1,0,0|2,0,0]=4 203 B6R1.11 CC(N)C1CC1 3131AE [0,1,0,1,0,0|1,0,0]=3 204 B6R1.1 C1=CCNCC1 V3961 [0,1,0,1,0,0|1,0,1]=4 205 B6R1.1 C1=CCOCC1 X4947 [0,1,0,1,0,0|0,1,1]=4 206 B6R1.1 C1CNCCN1 8845AL [0,1,0,1,0,0|1,0,0]=3 207 B6R1.1 C1CNCCN1 8846AL [0,1,0,1,0,0|1,0,0]=3 208 B6R1.1 C1CNCCN1 G991 [0,1,0,1,0,0|1,0,0]=3 209 B6R1.1 C1CSCCO1 7266AF [0,1,0,1,0,0|0,0,0]=2 210 B6R1.6 BrCC1COC1 2022AJ [0,1,0,1,0,0|2,0,0]=4 211 B6R1.6 CNC1CCC1 4414AJ [0,1,0,1,0,0|1,0,0]=3 212 B6R1.6 ICC1CCO1 1038AD [0,1,0,1,0,0|0,1,0]=3 213 B6R1.6 NCC1CCC1 W6312 [0,1,0,1,0,0|1,0,0]=3 214 B6R1.6 NCC1CCC1 W6876 [0,1,0,1,0,0|1,0,0]=3 215 B6R1.6 NCC1CNC1 W4567 [0,1,0,1,0,0|2,0,0]=4 216 B6R1.6 NCC1COC1 4443AJ [0,1,0,1,0,0|2,0,0]=4 217 B6R1.6 NNC1CCC1 2537AA [0,1,0,1,0,0|2,0,0]=4 218 B6R1.6 NNC1CCC1 W3433 [0,1,0,1,0,0|2,0,0]=4 219 B6R1.6 OCC1CCO1 Z4942 [0,1,0,1,0,0|0,1,0]=3 220 B6R1.6 OCC1CNC1 W9563 [0,1,0,1,0,0|2,0,0]=4 221 B6R1.6 OCC1CNC1 Y5829 [0,1,0,1,0,0|2,0,0]=4 222 B6R1.7 CC1(CO)CC1 8973AD [0,1,0,1,0,0|2,0,0]=4 223 B6R1.7 NC1(CO)CC1 X9119 [0,1,0,1,0,0|2,0,0]=4