0 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 CC(Br)CC(N)=S MC106193 [0,0,0,0,0,0|2,1,0]=3 3 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.2 CC(C)CB(O)O CS22276 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(C)PC(C)C MC444830 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.2 CN(C)CC(N)=S CS15155 [0,0,0,0,0,0|2,1,0]=3 14 B6R0.2 NC(=O)CC(N)=O CS11565 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CC(C)=CCBr MC41900 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CC(C)CC=O CS11530 [1,0,0,0,0,0|0,0,0]=1 26 B5R0.1 CC(C)SC#N MC41971 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CC(N)CCO CS14355 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 CC(N)CCO CS14356 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CC(N)CCO CS22096 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 CC(O)CON CS17735 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|0,0,0]=1 33 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CCOC(=N)N CS11818 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 CN(C)CC=O CS17734 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 CN(C)CCBr CS10949 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CN(C)CCCl CS14471 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CN(C)CCCl CS17225 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CN(C)CCN CS18603 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CN(C)CCO CS11733 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 COCC(C)N CS15401 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 COCC(C)O CS20249 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 COCC(C)O CS20309 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 COCC(C)O CS20741 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 COCC(N)=S MC102255 [1,0,0,0,0,0|2,1,0]=4 51 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 N#CCC(N)=O CS18594 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.2 CC(C)CC(N)CO CS14853 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.2 CC(C)CC(N)CO CS19307 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.2 CN(C)CC(O)CO CS15349 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.2 COC(=O)C[N+](=O)[O-] MC41932 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.2 NCC(O)CC(=O)O CS16710 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.9 CC(=O)CC(F)(F)F MC418477 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.9 CC(C)(C)OC(N)=O CS11993 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.9 CC(C)CS(=O)(=O)Cl MC33117 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.9 CC(C)OS(C)(=O)=O MC445527 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,1,0,0,0,0|0,0,2]=3 82 B7R0.9 CN(C)CC(C)(C)O MC41894 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.9 O=C(O)CC(F)(F)F MC429455 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.16 CC(C)C(=O)N(C)C MC41952 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.16 CC(C)C(N)B(O)O MC442651 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.16 CC(C)C(N)C(C)C CS17730 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,1,0,0,0,0|2,0,1]=4 108 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,0|0,0,2]=3 109 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.2 CC1=NC(C)CO1 MC428186 [0,0,0,1,0,0|1,0,1]=3 111 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.2 CC1CCC(C)N1 MC102818 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.2 CN1CCC(N)C1 MC444033 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.2 CN1CCC(N)C1 MC444055 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.2 CN1CCC(N)C1 MC444130 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.2 CN1CCC(O)C1 MC20690 [0,0,0,1,0,0|1,0,2]=4 120 B7R1.2 CN1CCC(O)C1 MC444062 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.2 CN1CCC(O)C1 MC444273 [0,0,0,1,0,0|1,0,2]=4 122 B7R1.2 NC1CCC(O)C1 CS12946 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.2 NC1CCC(O)C1 CS14798 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.2 NC1CCC(O)C1 CS15869 [0,0,0,1,0,0|1,0,2]=4 125 B7R1.2 NC1CCC(O)C1 CS16172 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.2 NC1CNC(=O)C1 MC103473 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.2 NC1COC(=O)C1 CS14340 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.2 NC1COC(=O)C1 CS14674 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.2 O=C1CC(O)CN1 CS14706 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.2 O=C1CC(O)CN1 CS16472 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,0|1,0,0]=2 136 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,0|1,0,0]=2 137 B7R1.12 NC(=O)C1CC1F MC102846 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.16 CC1(C)CC(Br)C1 MC115986 [0,0,0,1,0,0|1,0,1]=3 147 B7R1.16 CC1(N)CC(O)C1 MC103486 [0,0,0,1,0,0|1,0,2]=4 148 B7R1.16 CC1(N)CC(O)C1 MC103487 [0,0,0,1,0,0|1,0,2]=4 149 B7R1.16 CC1(O)CC(N)C1 MC103384 [0,0,0,1,0,0|1,0,2]=4 150 B7R1.16 O=C1CC(F)(F)C1 MC102143 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.16 O=S1(=O)CC(Br)C1 MC114298 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.16 O=S1(=O)CC(Cl)C1 MC100035 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.16 O=S1(=O)CC(O)C1 CS17454 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.20 N=C(N)CC1CC1 MC114877 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.20 O=C(O)CC1CC1 MC433946 [0,0,0,1,0,0|1,0,0]=2 156 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,1,0|2,0,1]=4 157 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,1,0|2,0,0]=3 158 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,0,0,1,0|1,0,0]=2 159 B5R0.5 CC(C)C(N)=O CS21696 [0,0,0,0,1,0|1,0,0]=2 160 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,1,0|2,0,0]=3 161 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,1,0|2,0,0]=3 162 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,1,0|2,0,0]=3 163 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,1,0|2,0,0]=3 164 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,1,0|2,0,0]=3 165 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,1,0|2,0,0]=3 166 B5R0.5 CC(N)C(N)=O CS15732 [0,0,0,0,1,0|2,0,0]=3 167 B5R0.5 CC(N)C(N)=O CS22529 [0,0,0,0,1,0|2,0,0]=3 168 B5R0.5 CC(N)C(N)=O MC436152 [0,0,0,0,1,0|2,0,0]=3 169 B5R0.5 CC(N)C(N)=O MC436153 [0,0,0,0,1,0|2,0,0]=3 170 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,1,0|2,0,0]=3 171 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,0,0,1,0|2,0,0]=3 172 B5R0.5 CN(C)C(N)=S MC427479 [0,0,0,0,1,0|2,1,0]=4 173 B5R0.5 O=C(O)C(F)F MC20641 [0,0,0,0,1,0|3,0,0]=4 174 B5R0.5 O=C([O-])C(Cl)Cl MC21032 [0,0,0,0,1,0|3,0,0]=4 175 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,1|1,0,2]=4 176 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,1|2,0,1]=4 177 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,1|2,0,1]=4 178 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,0,1|1,0,0]=2 179 B7R0.6 CC(C)CCC(C)N MC446673 [0,0,0,0,0,1|1,0,1]=3 180 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [0,0,0,0,0,1|2,0,0]=3 181 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,0,0,0,1|2,0,0]=3 182 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,0,1|2,0,0]=3 183 B7R0.6 CN(C)CCN(C)C MC425151 [0,0,0,0,0,1|3,0,0]=4 184 B7R0.6 CN(C)CCN(C)C MC444920 [0,0,0,0,0,1|3,0,0]=4 185 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,0]=3 186 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,0]=3 187 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,0]=3 188 B4R0.1 CC(=O)NN CS10881 [2,0,0,0,0,0|2,0,0]=4 189 B4R0.1 CC(=O)NO CS14961 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.1 CC(C)C#N MC41920 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.1 CC(C)NN CS11525 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.1 CC(C)ON CS13668 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.1 CC(C)[Zn]Br MC121350 [2,0,0,0,0,0|2,0,0]=4 194 B4R0.1 CC(Cl)CO CS20251 [2,0,0,0,0,0|1,0,1]=4 195 B4R0.1 CC(Cl)CO MC428270 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.1 CC(N)CN CS20323 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.1 CC(N)CN MC10147 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.1 CC(N)CO CS14182 [2,0,0,0,0,0|1,0,1]=4 199 B4R0.1 CC(N)CO CS19476 [2,0,0,0,0,0|1,0,1]=4 200 B4R0.1 CC(N)CO CS21310 [2,0,0,0,0,0|1,0,1]=4 201 B4R0.1 CC(O)CCl MC20696 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.1 CC(O)CCl MC20697 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 CC(O)CN CS14075 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.1 CC(O)CO MC20330 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|1,0,0]=3 206 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,0]=3 207 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.1 C\C=C(/C)Br MC10255 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.1 NC(=O)CBr CS21389 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 O=C(Cl)CBr MC21000 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.1 O=C([O-])CCl MC41872 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|1,0,1]=4 221 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,0]=2 222 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|0,0,2]=4 223 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 224 B4R0.2 CCNCC CS11240 [2,0,0,0,0,0|1,0,1]=4 225 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|2,0,0]=4 226 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,0]=3 227 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|1,0,1]=4 228 B4R0.2 CC[Zn]CC MC10752 [2,0,0,0,0,0|1,0,1]=4 229 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|2,0,0]=4 230 B4R0.2 COCCCl MC428007 [2,0,0,0,0,0|2,0,0]=4 231 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,2]=4 232 B6R0.1 C#CC(=O)OCC MC434052 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.1 CCC(C)CCBr MC112369 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.1 CCCC(=O)NN CS22544 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.1 CCCC(C)CBr MC112368 [1,1,0,0,0,0|0,0,1]=3 236 B6R0.1 CCCC(O)CO CS20495 [1,1,0,0,0,0|0,0,2]=4 237 B6R0.1 CCNC(=O)NC MC428152 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.1 CCOC(=O)CBr MC41907 [1,1,0,0,0,0|1,0,0]=3 239 B6R0.1 CCOC(=O)CCl MC41910 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.1 CCOC(=O)CN CS15347 [1,1,0,0,0,0|1,0,0]=3 241 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|1,0,0]=3 242 B6R0.1 CCOC(=O)NN CS11383 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.1 CNC(=O)CC#N CS18404 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.1 CNC(=O)CCN MC112263 [1,1,0,0,0,0|1,0,0]=3 245 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.1 COC(=O)CC#N MC428339 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.1 COC(=O)CCBr CS18993 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.1 COC(=O)CCN CS22266 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.1 COCC(=O)NN CS11580 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.1 C\C=C\C(=O)OC MC41953 [1,1,0,0,0,0|0,0,2]=4 251 B6R0.1 O=C(CCl)NCO CS14580 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.3 CC(C)C(C)CO MC113312 [1,1,0,0,0,0|0,0,2]=4 253 B6R0.3 CC(C)C(N)CO CS17224 [1,1,0,0,0,0|0,0,2]=4 254 B6R0.3 CC(C)C(N)CO CS22659 [1,1,0,0,0,0|0,0,2]=4 255 B6R0.3 CC(CN)C(=O)O MC105846 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.3 CC(CN)C(=O)O MC105847 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|1,0,0]=3 261 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|1,0,0]=3 262 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.3 CCC(N)C(N)=O CS15891 [1,1,0,0,0,0|1,0,0]=3 264 B6R0.3 CCC(N)C(N)=O MC436006 [1,1,0,0,0,0|1,0,0]=3 265 B6R0.3 CNC(C)C(=O)O MC428068 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.3 CNC(C)C(=O)O MC428076 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.3 CNC(C)C(=O)O MC428084 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.3 COC(=O)C(C)C MC41931 [1,1,0,0,0,0|1,0,1]=4 269 B6R0.3 COC(C)C(=O)O CS14024 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.3 COC(C)C(=O)O MC425243 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.3 CON(C)C(C)=O CS11789 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.3 NC(=O)C(N)CO MC438160 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.3 NC(CCl)C(=O)O MC436849 [1,1,0,0,0,0|2,0,0]=4 274 B6R0.3 NC(CCl)C(=O)O MC436850 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.3 NC(CCl)C(=O)O MC436851 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.3 NC(CCl)C(=O)O MC436852 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.3 NC(CF)C(=O)O MC437009 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.3 NC(CO)C(=O)O CS14731 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.3 NC(CO)C(=O)O CS18949 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.3 NC(CO)C(=O)O CS19144 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.3 NC(CS)C(=O)O CS19113 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.3 NC(CS)C(=O)O CS19417 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.3 NC(CS)C(=O)O CS19655 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.3 NC(CS)C(=O)O MC428046 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.3 NC(CS)C(=O)O MC436887 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.3 NC(CS)C(=O)O MC436888 [1,1,0,0,0,0|2,0,0]=4 287 B6R0.3 NC(CS)C(=O)O MC439001 [1,1,0,0,0,0|2,0,0]=4 288 B6R0.3 NC(C[SeH])C(=O)O MC435423 [1,1,0,0,0,0|2,0,0]=4 289 B6R0.3 NCC(N)C(=O)O CS14756 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.3 NCC(N)C(=O)O CS19624 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.3 NCC(N)C(=O)O CS19672 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.3 NCC(O)C(=O)O CS20294 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.3 NCC(O)C(=O)O MC437816 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.3 O=C(O)C(Br)CBr CS15215 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.3 O=C(O)C(O)CCl MC10790 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.4 C#CCCC(=O)Cl MC106035 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.4 C#CCCC(=O)O MC428029 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.4 C#CCCC(N)=O MC106194 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.4 C=CCCC(=O)O CS15216 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|0,0,0]=2 301 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|0,0,0]=2 302 B6R0.4 CC(=O)NCCCl MC33011 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.4 CC(C)CCC=O MC428026 [1,1,0,0,0,0|0,0,0]=2 304 B6R0.4 CC(C)CCCO MC428025 [1,1,0,0,0,0|0,0,1]=3 305 B6R0.4 CC(C)NCCN MC20461 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.4 CCCCC(=O)Cl MC40508 [1,1,0,0,0,0|1,0,0]=3 307 B6R0.4 CN(C)CCCBr CS22184 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.4 CN(C)CCCCl CS13505 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.4 CN(C)CCCCl CS14943 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.4 CN(C)\C=C\C=O MC42238 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 CNCCN(C)C CS11723 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.4 CNCCN(C)C CS15131 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.4 CO\C=C\C(C)=O MC33352 [1,1,0,0,0,0|0,0,2]=4 314 B6R0.4 N#CCCC(=O)O CS22262 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.4 NCCCC(N)=O MC112262 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.4 O=C(Cl)CCCCl MC40450 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.5 CC(C)(C)CC=O MC20142 [1,1,0,0,0,0|0,0,0]=2 320 B6R0.5 CC(C)(C)CCO CS21905 [1,1,0,0,0,0|0,0,2]=4 321 B6R0.5 CC(C)(F)CCN MC116087 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.5 CC(C)(O)CCBr CS15788 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.5 CC(C)(O)CON MC427561 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.5 CCCS(=O)(=O)Cl MC20992 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.5 CCCS(=O)(=O)O MC32073 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.5 CCCS(N)(=O)=O MC32075 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.5 CCOS(C)(=O)=O MC445528 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.5 CS(=O)(=O)CCN CS21301 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.7 CC(=O)C(C)(C)C MC41940 [0,1,0,0,1,0|0,0,0]=2 331 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [0,1,0,0,1,0|1,0,0]=3 332 B6R0.7 CC(C)(Br)C(=O)O CS21332 [0,1,0,0,1,0|1,0,0]=3 333 B6R0.7 CC(C)(C)C(=O)O CS11866 [0,1,0,0,1,0|1,0,0]=3 334 B6R0.7 CC(C)(C)S(N)=O CS13893 [0,1,0,0,1,0|2,0,0]=4 335 B6R0.7 CC(C)(C)S(N)=O CS18738 [0,1,0,0,1,0|2,0,0]=4 336 B6R0.7 CC(C)(C)S(N)=O CS22549 [0,1,0,0,1,0|2,0,0]=4 337 B6R0.7 CC(C)(N)C(=O)O CS15358 [0,1,0,0,1,0|1,0,0]=3 338 B6R0.7 CC(C)S(=O)(=O)Cl MC33026 [0,1,0,0,1,0|2,0,0]=4 339 B6R0.7 CC(C)S(N)(=O)=O CS15962 [0,1,0,0,1,0|2,0,0]=4 340 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,1,0,0,0,1|1,0,1]=4 341 B8R0.9 CC(C)NCC(O)CO MC437813 [0,1,0,0,0,1|0,0,2]=4 342 B8R0.9 CC(C)NCC(O)CO MC437814 [0,1,0,0,0,1|0,0,2]=4 343 B8R0.9 CC(C)NCC(O)CO MC445487 [0,1,0,0,0,1|0,0,2]=4 344 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,1|1,0,1]=4 345 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,0,1|0,0,0]=2 346 B8R0.23 CC(=O)CC(=O)C(F)F MC429540 [0,1,0,0,0,1|2,0,0]=4 347 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,1|1,0,0]=3 348 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,0,0,0,1|1,0,0]=3 349 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,0,0,0,1|1,0,0]=3 350 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,0,0,0,1|1,0,0]=3 351 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,0,0,0,1|1,0,0]=3 352 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,1,0,0,0,1|1,0,0]=3 353 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,1,0,0,0,1|1,0,0]=3 354 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,1,0,0,0,1|1,0,0]=3 355 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,1,0,0,0,1|1,0,0]=3 356 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,1,0,0,0,1|1,0,0]=3 357 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,0,0,0,1|1,0,0]=3 358 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,0,0,0,1|1,0,0]=3 359 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,0,0,0,1|1,0,0]=3 360 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,1,0,0,0,1|1,0,0]=3 361 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,2,0,0,0,0|1,0,0]=3 362 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,2,0,0,0,0|1,0,0]=3 363 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,2,0,0,0,0|1,0,0]=3 364 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,2,0,0,0,0|1,0,0]=3 366 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,2,0,0,0,0|1,0,0]=3 367 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [0,2,0,0,0,0|1,0,0]=3 368 B8R0.2 CNC(=O)C(N)C(C)O MC435234 [0,2,0,0,0,0|1,0,0]=3 369 B8R0.2 COC(=O)C(Br)C(C)C CS11601 [0,2,0,0,0,0|0,0,0]=2 370 B8R0.2 COC(=O)C(N)C(C)C CS13949 [0,2,0,0,0,0|0,0,0]=2 371 B8R0.2 COC(=O)C(N)C(C)C CS22265 [0,2,0,0,0,0|0,0,0]=2 372 B8R0.2 COC(=O)C(N)C(C)C MC438304 [0,2,0,0,0,0|0,0,0]=2 373 B8R0.2 COC(=O)C(N)C(C)C MC439083 [0,2,0,0,0,0|0,0,0]=2 374 B8R0.2 COC(=O)C(N)C(C)O CS15233 [0,2,0,0,0,0|1,0,0]=3 375 B8R0.2 COC(=O)C(N)C(C)O CS17112 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.2 COC(=O)C(N)C(C)O CS17155 [0,2,0,0,0,0|1,0,0]=3 377 B8R0.2 COC(=O)C(N)C(C)O MC438205 [0,2,0,0,0,0|1,0,0]=3 378 B8R0.2 COC(=O)C(N)C(C)O MC438206 [0,2,0,0,0,0|1,0,0]=3 379 B8R0.2 COC(C)C(N)C(=O)O MC439018 [0,2,0,0,0,0|1,0,0]=3 380 B8R0.2 O=C(O)C(O)C(O)CO MC20861 [0,2,0,0,0,0|2,0,0]=4 381 B8R0.2 O=C([O-])C(O)C(O)CO CS13317 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.2 O=C([O-])C(O)C(O)CO MC428259 [0,2,0,0,0,0|2,0,0]=4 383 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,2,0,0,0,0|0,0,2]=4 385 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,2,0,0,0,0|1,0,1]=4 386 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,2,0,0,0,0|1,0,0]=3 387 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.16 COC(CN(C)C)OC MC428015 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,2,0,0,0,0|1,0,1]=4 391 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,2,0,0,0,0|1,0,1]=4 392 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.24 CC(C)(C)OC(=O)CN CS15473 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.24 CC(C)(C)OC(=O)CN CS22257 [0,2,0,0,0,0|1,0,0]=3 396 B8R0.24 CC(C)(C)OC(=O)CO CS21767 [0,2,0,0,0,0|1,0,0]=3 397 B8R0.24 CC(C)(C)OC(=O)NN CS22657 [0,2,0,0,0,0|2,0,0]=4 398 B8R0.24 CC(C)(C)OC(=O)NO CS17102 [0,2,0,0,0,0|2,0,0]=4 399 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [0,2,0,0,0,0|1,0,1]=4 400 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [0,2,0,0,0,0|1,0,0]=3 401 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.27 CC(C)(F)C(N)C(=O)O MC429244 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.27 CC(C)(S)C(N)C(=O)O MC438067 [0,2,0,0,0,0|1,0,0]=3 405 B8R0.18 CNC(C(=O)O)C(C)C MC437989 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.18 CNC(C(=O)O)C(C)C MC437990 [0,2,0,0,0,0|1,0,0]=3 407 B8R0.18 CNC(C(=O)O)C(C)O MC435508 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.18 CNC(C(=O)O)C(C)O MC437968 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.37 CC(=O)C(C)(C)C(C)=O MC445207 [0,2,0,0,0,0|1,0,1]=4 410 B8R0.37 CC(C)C(C)(N)C(=O)O MC437991 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.37 CC(C)C(C)(N)C(=O)O MC437992 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.37 CC(C)C(C)(N)C(=O)O MC437993 [0,2,0,0,0,0|1,0,0]=3 413 B8R0.37 CC(C)C(C)(N)C(N)=O CS14313 [0,2,0,0,0,0|1,0,0]=3 414 B8R0.37 CC(C)C(C)(O)C(=O)O MC100317 [0,2,0,0,0,0|1,0,0]=3 415 B6R1.2 BrC1CCNC1 CS15742 [1,0,0,1,0,0|2,0,0]=4 416 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,1,0,0|2,0,0]=4 417 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|1,0,0]=3 418 B6R1.2 CC1CCCN1 CS18299 [1,0,0,1,0,0|1,0,1]=4 419 B6R1.2 CC1CCCN1 CS18800 [1,0,0,1,0,0|1,0,1]=4 420 B6R1.2 CC1CCCN1 CS19735 [1,0,0,1,0,0|1,0,1]=4 421 B6R1.2 CC1CCCN1 CS21699 [1,0,0,1,0,0|1,0,1]=4 422 B6R1.2 CC1CCCN1 CS21700 [1,0,0,1,0,0|1,0,1]=4 423 B6R1.2 CC1CCCN1 MC428345 [1,0,0,1,0,0|1,0,1]=4 424 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|0,0,2]=4 425 B6R1.2 FC1CCNC1 CS12894 [1,0,0,1,0,0|2,0,0]=4 426 B6R1.2 FC1CCNC1 CS14870 [1,0,0,1,0,0|2,0,0]=4 427 B6R1.2 FC1CCNC1 MC31003 [1,0,0,1,0,0|2,0,0]=4 428 B6R1.2 IC1CCOC1 MC101926 [1,0,0,1,0,0|2,0,0]=4 429 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,1,0,0|2,0,0]=4 430 B6R1.2 NC1CC=CC1 CS19415 [1,0,0,1,0,0|1,0,1]=4 431 B6R1.2 NC1CCOC1 CS12010 [1,0,0,1,0,0|2,0,0]=4 432 B6R1.2 NC1CCOC1 CS13003 [1,0,0,1,0,0|2,0,0]=4 433 B6R1.2 NC1CCOC1 CS20366 [1,0,0,1,0,0|2,0,0]=4 434 B6R1.2 NC1CCOC1 MC443324 [1,0,0,1,0,0|2,0,0]=4 435 B6R1.2 NC1CCOC1 MC444237 [1,0,0,1,0,0|2,0,0]=4 436 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|0,0,0]=2 437 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|1,0,0]=3 438 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|1,0,0]=3 439 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|1,0,0]=3 440 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,1,0,0|2,0,0]=4 441 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,1,0,0|2,0,0]=4 442 B6R1.2 O=C1NCCS1 CS20525 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.2 OC1CC=CC1 MC10342 [1,0,0,1,0,0|1,0,1]=4 445 B6R1.2 OC1CCNC1 CS16166 [1,0,0,1,0,0|2,0,0]=4 446 B6R1.2 OC1CCNC1 CS16635 [1,0,0,1,0,0|2,0,0]=4 447 B6R1.2 OC1CCNC1 CS16650 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.2 OC1CCNC1 CS17407 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.2 OC1CCNC1 CS21757 [1,0,0,1,0,0|2,0,0]=4 450 B6R1.2 OC1CCOC1 CS20284 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.2 OC1CCOC1 MC42235 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.2 OC1CCOC1 MC444279 [1,0,0,1,0,0|2,0,0]=4 453 B6R1.3 N#CCC1CC1 MC433947 [1,0,0,1,0,0|1,0,1]=4 454 B6R1.3 NCCC1CC1 MC425320 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.3 NOCC1CC1 MC107884 [1,0,0,1,0,0|2,0,0]=4 456 B6R1.3 O=C=NC1CC1 MC418391 [1,0,0,1,0,0|1,0,1]=4 457 B6R1.3 OCCC1CC1 MC433884 [1,0,0,1,0,0|0,0,2]=4 458 B6R1.5 CC1CC(N)C1 MC105778 [1,0,0,1,0,0|1,0,1]=4 459 B6R1.5 CN1CC(N)C1 MC444125 [1,0,0,1,0,0|2,0,0]=4 460 B6R1.5 CN1CC(O)C1 MC444271 [1,0,0,1,0,0|2,0,0]=4 461 B6R1.5 CN1CC(O)C1 MC444272 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,1,0,0|1,0,0]=3 463 B6R1.5 O=C1CC(F)C1 MC104154 [1,0,0,1,0,0|1,0,0]=3 464 B6R1.10 CC1(F)CNC1 MC102153 [1,0,0,1,0,0|2,0,0]=4 465 B6R1.10 CC1(N)COC1 CS14859 [1,0,0,1,0,0|2,0,0]=4 466 B6R1.10 CC1(N)COC1 MC444292 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.10 CC1(N)CSC1 MC113158 [1,0,0,1,0,0|2,0,0]=4 468 B6R1.10 CC1(O)CNC1 CS15502 [1,0,0,1,0,0|2,0,0]=4 469 B6R1.11 CC(I)C1CC1 MC429998 [1,0,0,1,0,0|1,0,1]=4 470 B6R1.11 CC(N)C1CC1 MC428207 [1,0,0,1,0,0|1,0,1]=4 471 B6R1.11 N=C(N)C1CC1 CS16535 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.11 NC(=O)C1CC1 CS16456 [1,0,0,1,0,0|1,0,0]=3 473 B6R1.11 NC(=S)C1CC1 MC21067 [1,0,0,1,0,0|1,1,0]=4 474 B6R1.11 O=C(Cl)C1CC1 MC434039 [1,0,0,1,0,0|1,0,0]=3 475 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|1,0,0]=3 476 B6R1.11 O=C([O-])C1CO1 CS17514 [1,0,0,1,0,0|2,0,0]=4 477 B6R1.4 CC1COC1=O MC121237 [0,0,0,1,1,0|1,0,0]=3 478 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,1|0,0,2]=4 479 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,0,0,1,0,1|1,0,0]=3 480 B8R1.3 CC1CNC(C)CN1 CS14078 [0,0,0,1,0,1|1,0,1]=4 481 B8R1.3 CC1CNC(C)CN1 MC103638 [0,0,0,1,0,1|1,0,1]=4 482 B8R1.3 CC1COC(C)CN1 MC107001 [0,0,0,1,0,1|0,0,2]=4 483 B8R1.3 CC1COC(C)CN1 MC107002 [0,0,0,1,0,1|0,0,2]=4 484 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,0,0,1,0,1|2,0,0]=4 485 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,0,1|1,0,0]=3 486 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,1,0,1|1,0,0]=3 487 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,1,0,1|1,0,0]=3 488 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,1,0,1|1,0,0]=3 489 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,1|1,0,1]=4 490 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,1|1,0,1]=4 491 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,1,0,1|1,0,0]=3 492 B8R1.23 CC(C)N1CC(O)C1 MC444113 [0,0,0,1,0,1|0,0,2]=4 493 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,1,0,1|1,0,0]=3 494 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,1,0,1|1,0,0]=3 495 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,1,0,1|1,0,0]=3 496 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,1,0,1|2,0,0]=4 497 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,0,1,0,1|2,0,0]=4 498 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,0,1,0,1|2,0,0]=4 499 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,0,1,0,1|2,0,0]=4 500 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,0,1,0,1|2,0,0]=4 501 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,0,1,0,1|2,0,0]=4 502 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,0,1,0,1|2,0,0]=4 503 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,0,1,0,1|2,0,0]=4 504 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,0,1,0,1|2,0,0]=4 505 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,0,1,0,1|2,0,0]=4 506 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,0,1,0,1|2,0,0]=4 507 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,1|1,0,0]=3 508 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,0,0,1,0,1|0,0,0]=2 509 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [0,0,0,1,0,1|1,0,0]=3 510 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,0,1|1,0,0]=3 511 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,0,0,1,0,1|1,0,0]=3 512 B8R1.1 CN1CCC(CN)C1 MC104144 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.1 CN1CCC(CN)C1 MC105308 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.1 CN1CCC(CO)C1 MC102370 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.1 CN1CCC(CO)C1 MC102371 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.1 NCC1COC(=O)N1 MC104254 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|0,0,0]=2 526 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|0,0,0]=2 527 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|0,0,0]=2 528 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|0,0,0]=2 529 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|0,0,0]=2 530 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|0,0,0]=2 531 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,1,0,0|0,0,2]=4 532 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,1,0,0|0,0,2]=4 533 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,1,0,0|0,0,2]=4 534 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,1,0,0|0,0,2]=4 535 B8R1.4 CC1CCNC(C)C1 CS21125 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.4 CC1CN(C)CCN1 MC102815 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.4 CC1CNCC(C)C1 CS14191 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.18 CN1CC(N)CC1=O MC104828 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.18 CN1CC(O)CC1=O MC111393 [0,1,0,1,0,0|1,0,0]=3 552 B8R1.31 NC1CCC1C(=O)O MC104253 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.31 NC1CCC1C(=O)O MC104335 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.31 NC1CCC1C(=O)O MC104421 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.31 NC1CCC1C(=O)O MC105420 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,1,0,1,0,0|0,0,2]=4 557 B8R1.34 CC(=O)SC1CNC1 MC103969 [0,1,0,1,0,0|1,0,0]=3 558 B8R1.34 CN(C)CC1CNC1 MC105529 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.34 CN(C)CC1CNC1 MC105530 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.34 CN(C)CC1CNC1 MC113080 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.34 O=C(O)CC1COC1 MC444158 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.34 O=[N+]([O-])CC1COC1 MC113199 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.53 CC1(C)CC(CBr)C1 MC104311 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.53 CC1(C)CC(CBr)O1 MC115755 [0,1,0,1,0,0|0,0,2]=4 568 B8R1.53 CC1(C)CC(CI)O1 MC102911 [0,1,0,1,0,0|0,0,2]=4 569 B8R1.53 CC1(C)CC(CN)C1 MC104310 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.53 CC1(C)CC(CN)O1 MC115768 [0,1,0,1,0,0|0,0,2]=4 571 B8R1.53 CC1(C)CC(CO)O1 MC115663 [0,1,0,1,0,0|0,0,2]=4 572 B8R1.53 CC1(O)CC(CN)C1 MC103743 [0,1,0,1,0,0|0,0,2]=4 573 B8R1.53 CC1(O)CC(CN)C1 MC104882 [0,1,0,1,0,0|0,0,2]=4 574 B8R1.62 C=C1CC(C)(C#N)C1 MC105167 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.83 COC(=O)C1CC1Br MC430638 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.30 CC1(C(=O)O)CC1F MC102835 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.30 CC1(C(=O)O)CC1F MC102836 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,1,0,0|0,0,2]=4 579 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [0,1,0,1,0,0|1,0,1]=4 583 B8R2.18 NC1CC2CC2C1 MC103540 [0,0,0,2,0,0|1,0,1]=4 584 B8R2.66 O=C(O)C12CC1C2 MC104145 [0,0,0,2,0,0|1,0,0]=3 585 B8R0.28 CC(C)CCCC(C)N MC446672 [0,0,0,0,0,2|1,0,1]=4 586 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,0,0,0,2|2,0,0]=4 587 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,0,0,0,2|2,0,0]=4 588 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,0,0,0,2|2,0,0]=4 589 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,0,0,0,2|2,0,0]=4