0 B6R1.1 C1CC=CC=C1 TS49690 [0,0,0,0,0,0|0,0,4]=4 1 B6R1.1 C1CC=COC1 TS02542 [0,0,0,0,0,0|1,0,2]=3 2 B6R1.1 C1CCC=CC1 TS34559 [0,0,0,0,0,0|0,0,2]=2 3 B6R1.1 C1CCCCC1 TS71717 [0,0,0,0,0,0|0,0,0]=0 4 B6R1.1 C1CCNCC1 TS03510 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.1 C1CCNCC1 TS04882 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.1 C1CCNCC1 TS10261 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.1 C1CCNNC1 TS42014 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.1 C1CCOCC1 TS26775 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.1 C1CCOCC1 TS71756 [0,0,0,0,0,0|1,0,0]=1 10 B6R1.1 C1CCSCC1 TS03983 [0,0,0,0,0,0|1,0,0]=1 11 B6R1.1 C1CNC=NC1 TS71709 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.1 C1CNCC=C1 TS86919 [0,0,0,0,0,0|1,0,2]=3 13 B6R1.1 C1CNCCN1 TS03538 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.1 C1CNCCN1 TS15278 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.1 C1CNCCN1 TS42015 [0,0,0,0,0,0|2,0,0]=2 16 B6R1.1 C1COC=CO1 TS03531 [0,0,0,0,0,0|2,0,2]=4 17 B6R1.1 C1COCCN1 TS03564 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.1 C1COCCN1 TS04991 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.1 C1COCCO1 TS27395 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.1 C1COCCO1 TS27687 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.1 C1COCCO1 TS46811 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.1 C1CSCCN1 TS00278 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.1 C1CSCCN1 TS37319 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.1 C1CSCCO1 TS31683 [0,0,0,0,0,0|2,0,0]=2 25 B6R1.1 C1CSCCS1 TS32441 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.1 C1CSCSC1 TS59890 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.1 C1NCNCN1 TS71769 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.1 C1OCOCO1 TS03622 [0,0,0,0,0,0|3,0,0]=3 29 B6R1.1 C1SCSCS1 TS37237 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.3 B1(OCCCO1)[O-] TS27073 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.3 B=[O+2]1CCSCC1 TS32312 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.3 C1C(COCO1)O TS31668 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.3 C1CC(=O)CNC1 TS02886 [0,1,0,0,0,0|1,0,1]=3 34 B7R1.3 C1CC(=O)CNC1 TS59353 [0,1,0,0,0,0|1,0,1]=3 35 B7R1.3 C1CC(=O)COC1 TS22954 [0,1,0,0,0,0|1,0,1]=3 36 B7R1.3 C1CC(=O)COC1 TS89862 [0,1,0,0,0,0|1,0,1]=3 37 B7R1.3 C1CC(=O)CSC1 TS90226 [0,1,0,0,0,0|1,0,1]=3 38 B7R1.3 C1CC(CC=C1)Br TS11358 [0,1,0,0,0,0|0,0,2]=3 39 B7R1.3 C1CC(CC=C1)Cl TS04655 [0,1,0,0,0,0|0,0,2]=3 40 B7R1.3 C1CC(CC=C1)O TS31422 [0,1,0,0,0,0|0,0,2]=3 41 B7R1.3 C1CC(CNC1)Br TS09491 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.3 C1CC(CNC1)Br TS42661 [0,1,0,0,0,0|1,0,0]=2 43 B7R1.3 C1CC(CNC1)Cl TS41570 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.3 C1CC(CNC1)F TS37316 [0,1,0,0,0,0|1,0,0]=2 45 B7R1.3 C1CC(CNC1)N TS02666 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.3 C1CC(CNC1)O TS02796 [0,1,0,0,0,0|1,0,0]=2 47 B7R1.3 C1CC(CNC1)O TS16254 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.3 C1CC(CNC1)O TS28091 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.3 C1CC(CNC1)S TS91720 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.3 C1CC(COC1)Br TS42847 [0,1,0,0,0,0|1,0,0]=2 51 B7R1.3 C1CC(COC1)I TS44102 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.3 C1CC(COC1)N TS39962 [0,1,0,0,0,0|1,0,0]=2 53 B7R1.3 C1CC(COC1)N TS90719 [0,1,0,0,0,0|1,0,0]=2 54 B7R1.3 C1CC(COC1)O TS59831 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.3 C1CC=CC(=O)C1 TS39840 [0,1,0,0,0,0|0,0,3]=4 56 B7R1.3 C1CC=CC(C1)Br TS11359 [0,1,0,0,0,0|0,0,2]=3 57 B7R1.3 C1CC=CC(C1)Cl TS04653 [0,1,0,0,0,0|0,0,2]=3 58 B7R1.3 C1CC=CC(C1)O TS59964 [0,1,0,0,0,0|0,0,2]=3 59 B7R1.3 C1CCC(=CC1)Cl TS04654 [0,1,0,0,0,0|0,0,2]=3 60 B7R1.3 C1CCC(=O)CC1 TS31441 [0,1,0,0,0,0|0,0,1]=2 61 B7R1.3 C1CCC(CC1)Br TS33231 [0,1,0,0,0,0|0,0,0]=1 62 B7R1.3 C1CCC(CC1)Cl TS39830 [0,1,0,0,0,0|0,0,0]=1 63 B7R1.3 C1CCC(CC1)F TS31606 [0,1,0,0,0,0|0,0,0]=1 64 B7R1.3 C1CCC(CC1)I TS43723 [0,1,0,0,0,0|0,0,0]=1 65 B7R1.3 C1CCC(CC1)N TS03833 [0,1,0,0,0,0|0,0,0]=1 66 B7R1.3 C1CCC(CC1)N TS06026 [0,1,0,0,0,0|0,0,0]=1 67 B7R1.3 C1CCC(CC1)N TS14508 [0,1,0,0,0,0|0,0,0]=1 68 B7R1.3 C1CCC(CC1)N TS18426 [0,1,0,0,0,0|0,0,0]=1 69 B7R1.3 C1CCC(CC1)O TS31506 [0,1,0,0,0,0|0,0,0]=1 70 B7R1.3 C1CCC(CC1)P TS04576 [0,1,0,0,0,0|0,0,0]=1 71 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [0,1,0,0,0,0|0,0,0]=1 72 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [0,1,0,0,0,0|0,0,0]=1 73 B7R1.3 C1CCN(CC1)N TS03873 [0,1,0,0,0,0|1,0,0]=2 74 B7R1.3 C1CCN(CC1)N TS06144 [0,1,0,0,0,0|1,0,0]=2 75 B7R1.3 C1CCN(CC1)O TS31559 [0,1,0,0,0,0|1,0,0]=2 76 B7R1.3 C1CCNC(=N)C1 TS05957 [0,1,0,0,0,0|1,0,1]=3 77 B7R1.3 C1CCNC(=O)C1 TS01420 [0,1,0,0,0,0|1,0,1]=3 78 B7R1.3 C1CCNC(C1)Br TS42662 [0,1,0,0,0,0|1,0,0]=2 79 B7R1.3 C1CCNC(C1)Cl TS04802 [0,1,0,0,0,0|1,0,0]=2 80 B7R1.3 C1CCNC(C1)N TS03877 [0,1,0,0,0,0|1,0,0]=2 81 B7R1.3 C1CCNC(C1)O TS03900 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.3 C1CCOC(=O)C1 TS01892 [0,1,0,0,0,0|1,0,1]=3 83 B7R1.3 C1CCOC(C1)O TS31590 [0,1,0,0,0,0|1,0,0]=2 84 B7R1.3 C1CN(CCN1)N TS03908 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.3 C1CNC(=NC1)S TS04615 [0,1,0,0,0,0|2,0,1]=4 86 B7R1.3 C1CNC(=O)CN1 TS59349 [0,1,0,0,0,0|2,0,1]=4 87 B7R1.3 C1CNC(=O)NC1 TS59429 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.3 C1CNCCC1=O TS02248 [0,1,0,0,0,0|1,0,1]=3 89 B7R1.3 C1CNCCC1=O TS71284 [0,1,0,0,0,0|1,0,1]=3 90 B7R1.3 C1CNCCC1Br TS71009 [0,1,0,0,0,0|1,0,0]=2 91 B7R1.3 C1CNCCC1Cl TS09688 [0,1,0,0,0,0|1,0,0]=2 92 B7R1.3 C1CNCCC1F TS03995 [0,1,0,0,0,0|1,0,0]=2 93 B7R1.3 C1CNCCC1F TS09127 [0,1,0,0,0,0|1,0,0]=2 94 B7R1.3 C1CNCCC1N TS08873 [0,1,0,0,0,0|1,0,0]=2 95 B7R1.3 C1CNCCC1N TS70915 [0,1,0,0,0,0|1,0,0]=2 96 B7R1.3 C1CNCCC1O TS37141 [0,1,0,0,0,0|1,0,0]=2 97 B7R1.3 C1CNCCC1O TS71282 [0,1,0,0,0,0|1,0,0]=2 98 B7R1.3 C1CNCCC1S TS89665 [0,1,0,0,0,0|1,0,0]=2 99 B7R1.3 C1COC(=O)CO1 TS31576 [0,1,0,0,0,0|2,0,1]=4 100 B7R1.3 C1COC(=O)OC1 TS31584 [0,1,0,0,0,0|2,0,1]=4 101 B7R1.3 C1COCC(=O)N1 TS01573 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.3 C1COCCC1=O TS59431 [0,1,0,0,0,0|1,0,1]=3 103 B7R1.3 C1COCCC1Br TS09616 [0,1,0,0,0,0|1,0,0]=2 104 B7R1.3 C1COCCC1Cl TS32447 [0,1,0,0,0,0|1,0,0]=2 105 B7R1.3 C1COCCC1I TS09723 [0,1,0,0,0,0|1,0,0]=2 106 B7R1.3 C1COCCC1N TS11397 [0,1,0,0,0,0|1,0,0]=2 107 B7R1.3 C1COCCC1N TS70925 [0,1,0,0,0,0|1,0,0]=2 108 B7R1.3 C1COCCC1N TS70926 [0,1,0,0,0,0|1,0,0]=2 109 B7R1.3 C1COCCC1O TS59433 [0,1,0,0,0,0|1,0,0]=2 110 B7R1.3 C1COCCC1O TS85905 [0,1,0,0,0,0|1,0,0]=2 111 B7R1.3 C1COCCN1N TS31603 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.3 C1COCCN1N TS37255 [0,1,0,0,0,0|2,0,0]=3 113 B7R1.3 C1COS(=O)OC1 TS85276 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.3 C1CSCCC1=O TS59432 [0,1,0,0,0,0|1,0,1]=3 115 B7R1.3 C1CSCCC1N TS59442 [0,1,0,0,0,0|1,0,0]=2 116 B7R1.3 C1CSCCC1O TS59441 [0,1,0,0,0,0|1,0,0]=2 117 B7R1.3 C1C[C@@H](CNC1)F TS89045 [0,1,0,0,0,0|1,0,0]=2 118 B7R1.3 C1C[C@@H](CNC1)N TS03872 [0,1,0,0,0,0|1,0,0]=2 119 B7R1.3 C1C[C@@H](CNC1)O TS46664 [0,1,0,0,0,0|1,0,0]=2 120 B7R1.3 C1C[C@H](CNC1)F TS92720 [0,1,0,0,0,0|1,0,0]=2 121 B7R1.3 C1C[C@H](CNC1)N TS93699 [0,1,0,0,0,0|1,0,0]=2 122 B7R1.3 C1C[C@H](CNC1)O TS88232 [0,1,0,0,0,0|1,0,0]=2 123 B7R1.3 C1C[C@H](CNC1)O TS89282 [0,1,0,0,0,0|1,0,0]=2 124 B7R1.3 CC1CCCCC1 TS02317 [0,1,0,0,0,0|0,0,0]=1 125 B7R1.3 CC1CCCCO1 TS31512 [0,1,0,0,0,0|1,0,0]=2 126 B7R1.3 CC1CCCNC1 TS70672 [0,1,0,0,0,0|1,0,0]=2 127 B7R1.3 CC1CCNCC1 TS03831 [0,1,0,0,0,0|1,0,0]=2 128 B7R1.3 CC1CCOCO1 TS03947 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.3 CC1CNCCO1 TS02170 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.3 CC1SCCCS1 TS16705 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.3 CN1CCCCC1 TS03834 [0,1,0,0,0,0|1,0,0]=2 132 B7R1.3 CN1CCNCC1 TS00495 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.3 CN1CCNCC1 TS45581 [0,1,0,0,0,0|2,0,0]=3 134 B7R1.3 CN1CCOCC1 TS37142 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.3 CN1CCOCC1 TS39917 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.3 C[C@@H]1CCCCN1 TS03835 [0,1,0,0,0,0|1,0,0]=2 137 B7R1.3 C[C@@H]1CNCCN1 TS08073 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.3 C[C@@H]1CNCCO1 TS03899 [0,1,0,0,0,0|2,0,0]=3 139 B7R1.3 C[C@@H]1CNCCO1 TS08072 [0,1,0,0,0,0|2,0,0]=3 140 B7R1.3 C[C@@H]1COCCN1 TS01972 [0,1,0,0,0,0|2,0,0]=3 141 B7R1.3 C[C@H]1CNCCN1 TS06145 [0,1,0,0,0,0|2,0,0]=3 142 B7R1.3 C[C@H]1CNCCN1 TS22969 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.3 C[C@H]1CNCCN1 TS45580 [0,1,0,0,0,0|2,0,0]=3 144 B7R1.3 C[C@H]1CNCCO1 TS89643 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.3 C[C@H]1COCCN1 TS46666 [0,1,0,0,0,0|2,0,0]=3 146 B5R0.2 C#CCCCCl TS60430 [0,0,1,0,0,0|1,0,2]=4 147 B5R0.2 C#CCCCO TS71278 [0,0,1,0,0,0|1,0,2]=4 148 B5R0.2 C(CBr)OCCl TS45688 [0,0,1,0,0,0|3,0,0]=4 149 B5R0.2 C(CC#N)CCl TS33156 [0,0,1,0,0,0|2,0,1]=4 150 B5R0.2 C(CC#N)CI TS17989 [0,0,1,0,0,0|2,0,1]=4 151 B5R0.2 C(CC#N)C[Zn+] TS21545 [0,0,1,0,0,0|2,0,1]=4 152 B5R0.2 C(CCBr)CBr TS07886 [0,0,1,0,0,0|2,0,0]=3 153 B5R0.2 C(CCBr)CCl TS45376 [0,0,1,0,0,0|2,0,0]=3 154 B5R0.2 C(CCBr)CF TS10539 [0,0,1,0,0,0|2,0,0]=3 155 B5R0.2 C(CCBr)CO TS39737 [0,0,1,0,0,0|2,0,0]=3 156 B5R0.2 C(CCCl)CCl TS36204 [0,0,1,0,0,0|2,0,0]=3 157 B5R0.2 C(CCCl)CO TS33155 [0,0,1,0,0,0|2,0,0]=3 158 B5R0.2 C(CCF)CF TS03666 [0,0,1,0,0,0|2,0,0]=3 159 B5R0.2 C(CCF)CO TS03655 [0,0,1,0,0,0|2,0,0]=3 160 B5R0.2 C(CCI)CCl TS49510 [0,0,1,0,0,0|2,0,0]=3 161 B5R0.2 C(CCI)CI TS76368 [0,0,1,0,0,0|2,0,0]=3 162 B5R0.2 C(CCO)CN TS03609 [0,0,1,0,0,0|2,0,0]=3 163 B5R0.2 C(CCO)CO TS00383 [0,0,1,0,0,0|2,0,0]=3 164 B5R0.2 C(CCS)CO TS04107 [0,0,1,0,0,0|2,0,0]=3 165 B5R0.2 C(CCS)CS TS04933 [0,0,1,0,0,0|2,0,0]=3 166 B5R0.2 C(CC[Zn+])CCl TS25983 [0,0,1,0,0,0|2,0,0]=3 167 B5R0.2 C(CCl)OCCl TS36384 [0,0,1,0,0,0|3,0,0]=4 168 B5R0.2 C(CO)NCO TS03642 [0,0,1,0,0,0|3,0,0]=4 169 B5R0.2 C(CON)CS TS93047 [0,0,1,0,0,0|3,0,0]=4 170 B5R0.2 C=CCCCBr TS71399 [0,0,1,0,0,0|1,0,2]=4 171 B5R0.2 C=CCCCCl TS04057 [0,0,1,0,0,0|1,0,2]=4 172 B5R0.2 C=CCCCN TS03513 [0,0,1,0,0,0|1,0,2]=4 173 B5R0.2 C=CCCCN TS04880 [0,0,1,0,0,0|1,0,2]=4 174 B5R0.2 C=CCCCO TS33172 [0,0,1,0,0,0|1,0,2]=4 175 B5R0.2 C=CCCC[Zn+] TS44589 [0,0,1,0,0,0|1,0,2]=4 176 B5R0.2 CC=CCCO TS71749 [0,0,1,0,0,0|1,0,2]=4 177 B5R0.2 CCC#CCC TS71689 [0,0,1,0,0,0|0,0,2]=3 178 B5R0.2 CCC#CCCl TS31620 [0,0,1,0,0,0|1,0,2]=4 179 B5R0.2 CCC#CCO TS65626 [0,0,1,0,0,0|1,0,2]=4 180 B5R0.2 CCCC#CC TS71682 [0,0,1,0,0,0|0,0,2]=3 181 B5R0.2 CCCC#CI TS51737 [0,0,1,0,0,0|1,0,2]=4 182 B5R0.2 CCCC=NO TS03560 [0,0,1,0,0,0|2,0,1]=4 183 B5R0.2 CCCCC#C TS71687 [0,0,1,0,0,0|0,0,2]=3 184 B5R0.2 CCCCC#N TS71704 [0,0,1,0,0,0|1,0,1]=3 185 B5R0.2 CCCCC=C TS71713 [0,0,1,0,0,0|0,0,2]=3 186 B5R0.2 CCCCC=O TS71764 [0,0,1,0,0,0|1,0,1]=3 187 B5R0.2 CCCCCBr TS00039 [0,0,1,0,0,0|1,0,0]=2 188 B5R0.2 CCCCCCl TS31742 [0,0,1,0,0,0|1,0,0]=2 189 B5R0.2 CCCCCF TS71848 [0,0,1,0,0,0|1,0,0]=2 190 B5R0.2 CCCCCI TS18547 [0,0,1,0,0,0|1,0,0]=2 191 B5R0.2 CCCCCN TS71782 [0,0,1,0,0,0|1,0,0]=2 192 B5R0.2 CCCCCO TS46186 [0,0,1,0,0,0|1,0,0]=2 193 B5R0.2 CCCCCO TS71798 [0,0,1,0,0,0|1,0,0]=2 194 B5R0.2 CCCCCS TS31699 [0,0,1,0,0,0|1,0,0]=2 195 B5R0.2 CCCCC[Si] TS03986 [0,0,1,0,0,0|0,1,0]=2 196 B5R0.2 CCCCC[Zn+] TS49168 [0,0,1,0,0,0|1,0,0]=2 197 B5R0.2 CCCCNC TS71774 [0,0,1,0,0,0|1,0,0]=2 198 B5R0.2 CCCCNN TS14187 [0,0,1,0,0,0|2,0,0]=3 199 B5R0.2 CCCCNN TS36035 [0,0,1,0,0,0|2,0,0]=3 200 B5R0.2 CCCCON TS36085 [0,0,1,0,0,0|2,0,0]=3 201 B5R0.2 CCCCON TS93805 [0,0,1,0,0,0|2,0,0]=3 202 B5R0.2 CCCCSC TS31691 [0,0,1,0,0,0|1,0,0]=2 203 B5R0.2 CCCC[Mg]Br TS11455 [0,0,1,0,0,0|2,0,0]=3 204 B5R0.2 CCCC[Mg]Cl TS32260 [0,0,1,0,0,0|2,0,0]=3 205 B5R0.2 CCCC[N+]#[C-] TS71702 [0,0,1,0,0,0|1,0,1]=3 206 B5R0.2 CCCC[Sn]=O TS17583 [0,0,1,0,0,0|2,0,0]=3 207 B5R0.2 CCCN=C=O TS03505 [0,0,1,0,0,0|2,0,1]=4 208 B5R0.2 CCCN=C=S TS03915 [0,0,1,0,0,0|2,0,1]=4 209 B5R0.2 CCCNCC TS71783 [0,0,1,0,0,0|1,0,0]=2 210 B5R0.2 CCCOC=C TS29507 [0,0,1,0,0,0|1,0,2]=4 211 B5R0.2 CCCOC=O TS03584 [0,0,1,0,0,0|2,0,1]=4 212 B5R0.2 CCCOCC TS71799 [0,0,1,0,0,0|1,0,0]=2 213 B5R0.2 CCCOCCl TS04165 [0,0,1,0,0,0|2,0,0]=3 214 B5R0.2 CCCON=O TS71824 [0,0,1,0,0,0|3,0,0]=4 215 B5R0.2 CCCSC#N TS03911 [0,0,1,0,0,0|2,0,1]=4 216 B5R0.2 CCCSCC TS31700 [0,0,1,0,0,0|1,0,0]=2 217 B5R0.2 CCCSSC TS04934 [0,0,1,0,0,0|2,0,0]=3 218 B5R0.2 CCN=NCC TS03539 [0,0,1,0,0,0|2,0,0]=3 219 B5R0.2 CCNCCN TS71809 [0,0,1,0,0,0|2,0,0]=3 220 B5R0.2 CCNCCO TS00085 [0,0,1,0,0,0|2,0,0]=3 221 B5R0.2 CCNNCC TS11360 [0,0,1,0,0,0|2,0,0]=3 222 B5R0.2 CCNNCC TS71806 [0,0,1,0,0,0|2,0,0]=3 223 B5R0.2 CCOC=CC TS71751 [0,0,1,0,0,0|1,0,2]=4 224 B5R0.2 CCOCC=C TS71744 [0,0,1,0,0,0|1,0,2]=4 225 B5R0.2 CCOCCBr TS10269 [0,0,1,0,0,0|2,0,0]=3 226 B5R0.2 CCOCCCl TS04162 [0,0,1,0,0,0|2,0,0]=3 227 B5R0.2 CCOCCO TS71837 [0,0,1,0,0,0|2,0,0]=3 228 B5R0.2 CCSCC=C TS03981 [0,0,1,0,0,0|1,0,2]=4 229 B5R0.2 CCSCCBr TS44968 [0,0,1,0,0,0|2,0,0]=3 230 B5R0.2 CCSCCCl TS36036 [0,0,1,0,0,0|2,0,0]=3 231 B5R0.2 CCSCCN TS31712 [0,0,1,0,0,0|2,0,0]=3 232 B5R0.2 CCSCCN TS37539 [0,0,1,0,0,0|2,0,0]=3 233 B5R0.2 CCSCCO TS59769 [0,0,1,0,0,0|2,0,0]=3 234 B5R0.2 CCSSCC TS59782 [0,0,1,0,0,0|2,0,0]=3 235 B5R0.2 CC[Se][Se]CC TS44786 [0,0,1,0,0,0|2,0,0]=3 236 B5R0.2 CNCCC#N TS03502 [0,0,1,0,0,0|2,0,1]=4 237 B5R0.2 CNCCCCl TS40140 [0,0,1,0,0,0|2,0,0]=3 238 B5R0.2 CNCCCN TS71808 [0,0,1,0,0,0|2,0,0]=3 239 B5R0.2 CNCCNC TS56355 [0,0,1,0,0,0|2,0,0]=3 240 B5R0.2 CNCCOC TS03607 [0,0,1,0,0,0|2,0,0]=3 241 B5R0.2 COCCC#N TS46471 [0,0,1,0,0,0|2,0,1]=4 242 B5R0.2 COCCCBr TS10272 [0,0,1,0,0,0|2,0,0]=3 243 B5R0.2 COCCCCl TS04163 [0,0,1,0,0,0|2,0,0]=3 244 B5R0.2 COCCCN TS03603 [0,0,1,0,0,0|2,0,0]=3 245 B5R0.2 COCCCO TS70643 [0,0,1,0,0,0|2,0,0]=3 246 B5R0.2 COCCOC TS07877 [0,0,1,0,0,0|2,0,0]=3 247 B5R0.2 COCC[Hg]Cl TS58532 [0,0,1,0,0,0|3,0,0]=4 248 B5R0.2 CSCCCN TS65714 [0,0,1,0,0,0|2,0,0]=3 249 B5R0.2 CSCCCO TS04105 [0,0,1,0,0,0|2,0,0]=3 250 B5R0.2 C[SiH2]CC[SiH2]C TS04760 [0,0,1,0,0,0|0,2,0]=3 251 B7R2.13 C1C2C(O2)CO1 TS65746 [0,0,0,1,0,0|2,0,0]=3 252 B7R2.13 C1C2C1CNC2 TS86763 [0,0,0,1,0,0|1,0,0]=2 253 B7R2.13 C1CC2C(C1)O2 TS55825 [0,0,0,1,0,0|1,0,0]=2 254 B7R2.13 C1CNC2C1C2 TS90381 [0,0,0,1,0,0|1,0,0]=2 255 B5R1.1 C1C=CCN1 TS03158 [0,0,0,0,1,0|1,0,2]=4 256 B5R1.1 C1C=CCO1 TS47265 [0,0,0,0,1,0|1,0,2]=4 257 B5R1.1 C1C=CC[SiH2]1 TS71724 [0,0,0,0,1,0|0,1,2]=4 258 B5R1.1 C1CC=CC1 TS70869 [0,0,0,0,1,0|0,0,2]=3 259 B5R1.1 C1CCCC1 TS79215 [0,0,0,0,1,0|0,0,0]=1 260 B5R1.1 C1CCCC1 TS83096 [0,0,0,0,1,0|0,0,0]=1 261 B5R1.1 C1CCNC1 TS59825 [0,0,0,0,1,0|1,0,0]=2 262 B5R1.1 C1CCOC1 TS24765 [0,0,0,0,1,0|1,0,0]=2 263 B5R1.1 C1CCOC1 TS39373 [0,0,0,0,1,0|1,0,0]=2 264 B5R1.1 C1CCOC1 TS44432 [0,0,0,0,1,0|1,0,0]=2 265 B5R1.1 C1CCOC1 TS48211 [0,0,0,0,1,0|1,0,0]=2 266 B5R1.1 C1CCOC1 TS60631 [0,0,0,0,1,0|1,0,0]=2 267 B5R1.1 C1CCOC1 TS63866 [0,0,0,0,1,0|1,0,0]=2 268 B5R1.1 C1CCOC1 TS71600 [0,0,0,0,1,0|1,0,0]=2 269 B5R1.1 C1CCOC1 TS80255 [0,0,0,0,1,0|1,0,0]=2 270 B5R1.1 C1CCSC1 TS71810 [0,0,0,0,1,0|1,0,0]=2 271 B5R1.1 C1CNN=C1 TS03359 [0,0,0,0,1,0|2,0,1]=4 272 B5R1.1 C1COC=C1 TS07898 [0,0,0,0,1,0|1,0,2]=4 273 B5R1.1 C1COC=N1 TS03370 [0,0,0,0,1,0|2,0,1]=4 274 B5R1.1 C1COCO1 TS03392 [0,0,0,0,1,0|2,0,0]=3 275 B7R1.24 C1C=CCOCO1 TS03849 [0,0,0,0,0,1|1,0,2]=4 276 B7R1.24 C1CC=CC=CC1 TS03682 [0,0,0,0,0,1|0,0,3]=4 277 B7R1.24 C1CCC=CCC1 TS31384 [0,0,0,0,0,1|0,0,1]=2 278 B7R1.24 C1CCCCCC1 TS03793 [0,0,0,0,0,1|0,0,0]=1 279 B7R1.24 C1CCCNCC1 TS39804 [0,0,0,0,0,1|0,0,0]=1 280 B7R1.24 C1CCCOCC1 TS31519 [0,0,0,0,0,1|0,0,0]=1 281 B7R1.24 C1CCCSCC1 TS04639 [0,0,0,0,0,1|0,0,0]=1 282 B7R1.24 C1CCOCOC1 TS03952 [0,0,0,0,0,1|1,0,0]=2 283 B7R1.24 C1CCSCSC1 TS36881 [0,0,0,0,0,1|1,0,0]=2 284 B7R1.24 C1CNCCNC1 TS08536 [0,0,0,0,0,1|1,0,0]=2 285 B7R1.24 C1CNCCOC1 TS02067 [0,0,0,0,0,1|1,0,0]=2 286 B4R0.2 C(CBr)CBr TS46797 [1,0,1,0,0,0|2,0,0]=4 287 B4R0.2 C(CBr)CI TS27842 [1,0,1,0,0,0|2,0,0]=4 288 B4R0.2 C(CCl)CBr TS46925 [1,0,1,0,0,0|2,0,0]=4 289 B4R0.2 C(CCl)CCl TS31994 [1,0,1,0,0,0|2,0,0]=4 290 B4R0.2 C(CF)CBr TS37464 [1,0,1,0,0,0|2,0,0]=4 291 B4R0.2 C(CF)CF TS71664 [1,0,1,0,0,0|2,0,0]=4 292 B4R0.2 C(CI)CI TS93960 [1,0,1,0,0,0|2,0,0]=4 293 B4R0.2 C(CN)CBr TS09494 [1,0,1,0,0,0|2,0,0]=4 294 B4R0.2 C(CN)CCl TS00183 [1,0,1,0,0,0|2,0,0]=4 295 B4R0.2 C(CN)CF TS04405 [1,0,1,0,0,0|2,0,0]=4 296 B4R0.2 C(CN)CN TS07879 [1,0,1,0,0,0|2,0,0]=4 297 B4R0.2 C(CN)CN TS34480 [1,0,1,0,0,0|2,0,0]=4 298 B4R0.2 C(CN)CN TS40489 [1,0,1,0,0,0|2,0,0]=4 299 B4R0.2 C(CN)CO TS04258 [1,0,1,0,0,0|2,0,0]=4 300 B4R0.2 C(CN)CO TS08858 [1,0,1,0,0,0|2,0,0]=4 301 B4R0.2 C(CO)CBr TS59604 [1,0,1,0,0,0|2,0,0]=4 302 B4R0.2 C(CO)CCl TS02021 [1,0,1,0,0,0|2,0,0]=4 303 B4R0.2 C(CO)CF TS00151 [1,0,1,0,0,0|2,0,0]=4 304 B4R0.2 C(CO)CI TS70633 [1,0,1,0,0,0|2,0,0]=4 305 B4R0.2 C(CO)CO TS00379 [1,0,1,0,0,0|2,0,0]=4 306 B4R0.2 C(CP)CP TS04129 [1,0,1,0,0,0|2,0,0]=4 307 B4R0.2 C(CS)CCl TS31868 [1,0,1,0,0,0|2,0,0]=4 308 B4R0.2 C(CS)CS TS04153 [1,0,1,0,0,0|2,0,0]=4 309 B4R0.2 CCC#CC TS03009 [1,0,1,0,0,0|0,0,2]=4 310 B4R0.2 CCC=CC TS03361 [1,0,1,0,0,0|0,0,2]=4 311 B4R0.2 CCCC#C TS70989 [1,0,1,0,0,0|0,0,2]=4 312 B4R0.2 CCCC#N TS03176 [1,0,1,0,0,0|1,0,1]=4 313 B4R0.2 CCCC=O TS71609 [1,0,1,0,0,0|1,0,1]=4 314 B4R0.2 CCCCBr TS37077 [1,0,1,0,0,0|1,0,0]=3 315 B4R0.2 CCCCBr TS93069 [1,0,1,0,0,0|1,0,0]=3 316 B4R0.2 CCCCC TS71613 [1,0,1,0,0,0|0,0,0]=2 317 B4R0.2 CCCCCl TS39594 [1,0,1,0,0,0|1,0,0]=3 318 B4R0.2 CCCCF TS71643 [1,0,1,0,0,0|1,0,0]=3 319 B4R0.2 CCCCI TS48513 [1,0,1,0,0,0|1,0,0]=3 320 B4R0.2 CCCCN TS03383 [1,0,1,0,0,0|1,0,0]=3 321 B4R0.2 CCCCN TS04172 [1,0,1,0,0,0|1,0,0]=3 322 B4R0.2 CCCCO TS03407 [1,0,1,0,0,0|1,0,0]=3 323 B4R0.2 CCCCS TS71854 [1,0,1,0,0,0|1,0,0]=3 324 B4R0.2 CCCC[O-] TS31364 [1,0,1,0,0,0|1,0,0]=3 325 B4R0.2 CCCC[O-] TS64270 [1,0,1,0,0,0|1,0,0]=3 326 B4R0.2 CCCC[O-] TS66591 [1,0,1,0,0,0|1,0,0]=3 327 B4R0.2 CCCC[O-] TS67287 [1,0,1,0,0,0|1,0,0]=3 328 B4R0.2 CCCC[O-] TS82799 [1,0,1,0,0,0|1,0,0]=3 329 B4R0.2 CCCC[O-] TS83727 [1,0,1,0,0,0|1,0,0]=3 330 B4R0.2 CCCC[S-] TS31943 [1,0,1,0,0,0|1,0,0]=3 331 B4R0.2 CCCC[Si] TS71817 [1,0,1,0,0,0|0,1,0]=3 332 B4R0.2 CCCC[Zn+] TS19474 [1,0,1,0,0,0|1,0,0]=3 333 B4R0.2 CCCNC TS03381 [1,0,1,0,0,0|1,0,0]=3 334 B4R0.2 CCCOC TS03404 [1,0,1,0,0,0|1,0,0]=3 335 B4R0.2 CCCO[NH3+] TS04256 [1,0,1,0,0,0|2,0,0]=4 336 B4R0.2 CCCSC TS71857 [1,0,1,0,0,0|1,0,0]=3 337 B4R0.2 CCC[Mg]Br TS07380 [1,0,1,0,0,0|2,0,0]=4 338 B4R0.2 CCC[Mg]Cl TS31623 [1,0,1,0,0,0|2,0,0]=4 339 B4R0.2 CCC[Zn]Br TS50817 [1,0,1,0,0,0|2,0,0]=4 340 B4R0.2 CCNCC TS03384 [1,0,1,0,0,0|1,0,0]=3 341 B4R0.2 CCNCC TS04169 [1,0,1,0,0,0|1,0,0]=3 342 B4R0.2 CCNCC TS05835 [1,0,1,0,0,0|1,0,0]=3 343 B4R0.2 CCNCC TS10368 [1,0,1,0,0,0|1,0,0]=3 344 B4R0.2 CCNCC TS12959 [1,0,1,0,0,0|1,0,0]=3 345 B4R0.2 CCOCC TS03401 [1,0,1,0,0,0|1,0,0]=3 346 B4R0.2 CCOCC TS42371 [1,0,1,0,0,0|1,0,0]=3 347 B4R0.2 CCOCC TS43884 [1,0,1,0,0,0|1,0,0]=3 348 B4R0.2 CCOCC TS68115 [1,0,1,0,0,0|1,0,0]=3 349 B4R0.2 CCOCC TS79120 [1,0,1,0,0,0|1,0,0]=3 350 B4R0.2 CCOCCl TS39832 [1,0,1,0,0,0|2,0,0]=4 351 B4R0.2 CCPCC TS71830 [1,0,1,0,0,0|1,0,0]=3 352 B4R0.2 CCSCC TS71853 [1,0,1,0,0,0|1,0,0]=3 353 B4R0.2 CCSSC TS04155 [1,0,1,0,0,0|2,0,0]=4 354 B4R0.2 CC[Al+]CC TS32445 [1,0,1,0,0,0|1,0,0]=3 355 B4R0.2 CC[Al+]CC TS36486 [1,0,1,0,0,0|1,0,0]=3 356 B4R0.2 CC[Cd]CC TS45221 [1,0,1,0,0,0|1,0,0]=3 357 B4R0.2 CC[Ga+]CC TS42641 [1,0,1,0,0,0|1,0,0]=3 358 B4R0.2 CC[GeH2]CC TS36741 [1,0,1,0,0,0|0,1,0]=3 359 B4R0.2 CC[Hg]CC TS68206 [1,0,1,0,0,0|1,0,0]=3 360 B4R0.2 CC[Mg]CC TS71690 [1,0,1,0,0,0|1,0,0]=3 361 B4R0.2 CC[N-]CC TS71656 [1,0,1,0,0,0|1,0,0]=3 362 B4R0.2 CC[Se]CC TS37078 [1,0,1,0,0,0|1,0,0]=3 363 B4R0.2 CC[SiH2]CC TS71816 [1,0,1,0,0,0|0,1,0]=3 364 B4R0.2 CC[Te]CC TS15549 [1,0,1,0,0,0|1,0,0]=3 365 B4R0.2 CC[Zn]CC TS04983 [1,0,1,0,0,0|1,0,0]=3 366 B4R0.2 CNCCN TS03408 [1,0,1,0,0,0|2,0,0]=4 367 B4R0.2 CNCCO TS00099 [1,0,1,0,0,0|2,0,0]=4 368 B4R0.2 COCCBr TS65036 [1,0,1,0,0,0|2,0,0]=4 369 B4R0.2 COCCBr TS93982 [1,0,1,0,0,0|2,0,0]=4 370 B4R0.2 COCCCl TS03687 [1,0,1,0,0,0|2,0,0]=4 371 B4R0.2 COCCN TS71632 [1,0,1,0,0,0|2,0,0]=4 372 B4R0.2 COCCO TS71642 [1,0,1,0,0,0|2,0,0]=4 373 B4R0.2 COCC[O-] TS03754 [1,0,1,0,0,0|2,0,0]=4 374 B4R0.2 COCC[O-] TS44727 [1,0,1,0,0,0|2,0,0]=4 375 B4R0.2 COCC[O-] TS45853 [1,0,1,0,0,0|2,0,0]=4 376 B4R0.2 COCOC TS08721 [1,0,1,0,0,0|2,0,0]=4 377 B4R0.2 CSCCCl TS31867 [1,0,1,0,0,0|2,0,0]=4 378 B4R0.2 CSCCCl TS93571 [1,0,1,0,0,0|2,0,0]=4 379 B4R0.2 CSCCN TS03646 [1,0,1,0,0,0|2,0,0]=4 380 B4R0.2 CSCCO TS71862 [1,0,1,0,0,0|2,0,0]=4 381 B4R0.2 CSCSC TS04154 [1,0,1,0,0,0|2,0,0]=4 382 B4R0.2 [2H]OCCC TS65595 [1,0,1,0,0,0|2,0,0]=4 383 B4R0.2 [Li]CCCC TS39912 [1,0,1,0,0,0|1,0,0]=3 384 B6R0.1 C(CBr)C(CBr)Br TS35747 [0,1,1,0,0,0|2,0,0]=4 385 B6R0.1 C(CBr)C(CCl)Cl TS38906 [0,1,1,0,0,0|2,0,0]=4 386 B6R0.1 C(CCl)C(CCl)O TS06819 [0,1,1,0,0,0|2,0,0]=4 387 B6R0.1 C(CO)C(CO)O TS04081 [0,1,1,0,0,0|2,0,0]=4 388 B6R0.1 C(CO)C(CO)O TS94708 [0,1,1,0,0,0|2,0,0]=4 389 B6R0.1 C(CO)[C@@H](CO)O TS94709 [0,1,1,0,0,0|2,0,0]=4 390 B6R0.1 C(CO)[C@H](CCl)O TS36026 [0,1,1,0,0,0|2,0,0]=4 391 B6R0.1 C(CO)[C@H](CO)O TS04082 [0,1,1,0,0,0|2,0,0]=4 392 B6R0.1 CC(CCO)OC TS04039 [0,1,1,0,0,0|2,0,0]=4 393 B6R0.1 CC(COC)OC TS94098 [0,1,1,0,0,0|2,0,0]=4 394 B6R0.1 CCC(=O)CSC TS32357 [0,1,1,0,0,0|1,0,1]=4 395 B6R0.1 CCC(=O)NCC TS03904 [0,1,1,0,0,0|1,0,1]=4 396 B6R0.1 CCC(=O)OCC TS03938 [0,1,1,0,0,0|1,0,1]=4 397 B6R0.1 CCC(=O)SCC TS32362 [0,1,1,0,0,0|1,0,1]=4 398 B6R0.1 CCC(C#CC)O TS31428 [0,1,1,0,0,0|0,0,2]=4 399 B6R0.1 CCC(C)C#CC TS03735 [0,1,1,0,0,0|0,0,2]=4 400 B6R0.1 CCC(C)C=CC TS03791 [0,1,1,0,0,0|0,0,2]=4 401 B6R0.1 CCC(C)CC#C TS03734 [0,1,1,0,0,0|0,0,2]=4 402 B6R0.1 CCC(C)CC=C TS03804 [0,1,1,0,0,0|0,0,2]=4 403 B6R0.1 CCC(C)CC=O TS31513 [0,1,1,0,0,0|1,0,1]=4 404 B6R0.1 CCC(C)CCBr TS42853 [0,1,1,0,0,0|1,0,0]=3 405 B6R0.1 CCC(C)CCO TS31615 [0,1,1,0,0,0|1,0,0]=3 406 B6R0.1 CCC(C)SCC TS04755 [0,1,1,0,0,0|1,0,0]=3 407 B6R0.1 CCC(C=CC)O TS03868 [0,1,1,0,0,0|0,0,2]=4 408 B6R0.1 CCC(CC#C)O TS31435 [0,1,1,0,0,0|0,0,2]=4 409 B6R0.1 CCC(CC=C)O TS31532 [0,1,1,0,0,0|0,0,2]=4 410 B6R0.1 CCC(CCN)N TS03976 [0,1,1,0,0,0|1,0,0]=3 411 B6R0.1 CCC(COC)N TS04013 [0,1,1,0,0,0|1,0,0]=3 412 B6R0.1 CCC(COC)O TS04038 [0,1,1,0,0,0|1,0,0]=3 413 B6R0.1 CCCC(=C)CC TS03794 [0,1,1,0,0,0|0,0,1]=3 414 B6R0.1 CCCC(=CC)C TS31455 [0,1,1,0,0,0|0,0,2]=4 415 B6R0.1 CCCC(=O)CC TS31522 [0,1,1,0,0,0|0,0,1]=3 416 B6R0.1 CCCC(=O)OC TS03955 [0,1,1,0,0,0|1,0,1]=4 417 B6R0.1 CCCC(=S)OC TS32358 [0,1,1,0,0,0|1,0,1]=4 418 B6R0.1 CCCC(C#C)O TS31446 [0,1,1,0,0,0|0,0,2]=4 419 B6R0.1 CCCC(C)C#C TS31387 [0,1,1,0,0,0|0,0,2]=4 420 B6R0.1 CCCC(C)C=C TS03798 [0,1,1,0,0,0|0,0,2]=4 421 B6R0.1 CCCC(C)C=O TS01565 [0,1,1,0,0,0|1,0,1]=4 422 B6R0.1 CCCC(C)CBr TS42857 [0,1,1,0,0,0|1,0,0]=3 423 B6R0.1 CCCC(C)CC TS03886 [0,1,1,0,0,0|0,0,0]=2 424 B6R0.1 CCCC(C)CO TS39282 [0,1,1,0,0,0|1,0,0]=3 425 B6R0.1 CCCC(C)NC TS03920 [0,1,1,0,0,0|1,0,0]=3 426 B6R0.1 CCCC(C=C)O TS03859 [0,1,1,0,0,0|0,0,2]=4 427 B6R0.1 CCCC(CBr)Br TS52925 [0,1,1,0,0,0|1,0,0]=3 428 B6R0.1 CCCC(CC)Br TS42856 [0,1,1,0,0,0|0,0,0]=2 429 B6R0.1 CCCC(CC)Cl TS04841 [0,1,1,0,0,0|0,0,0]=2 430 B6R0.1 CCCC(CC)I TS44109 [0,1,1,0,0,0|0,0,0]=2 431 B6R0.1 CCCC(CC)N TS31564 [0,1,1,0,0,0|0,0,0]=2 432 B6R0.1 CCCC(CC)O TS31611 [0,1,1,0,0,0|0,0,0]=2 433 B6R0.1 CCCC(CC)S TS40939 [0,1,1,0,0,0|0,0,0]=2 434 B6R0.1 CCCC(CC)[Zn+] TS24971 [0,1,1,0,0,0|0,0,0]=2 435 B6R0.1 CCCC(CCl)Cl TS06553 [0,1,1,0,0,0|1,0,0]=3 436 B6R0.1 CCCC(CO)O TS04026 [0,1,1,0,0,0|1,0,0]=3 437 B6R0.1 CCC[C@@H](CO)N TS04002 [0,1,1,0,0,0|1,0,0]=3 438 B6R0.1 CCC[C@@H](CO)O TS04042 [0,1,1,0,0,0|1,0,0]=3 439 B6R0.1 CCC[C@H](CO)N TS04000 [0,1,1,0,0,0|1,0,0]=3 440 B6R0.1 CCOC(CBr)Br TS25152 [0,1,1,0,0,0|2,0,0]=4 441 B6R0.1 CCOC(CCl)Cl TS06818 [0,1,1,0,0,0|2,0,0]=4 442 B6R0.1 CC[C@H](C)CCBr TS42859 [0,1,1,0,0,0|1,0,0]=3 443 B6R0.1 CC[C@H](C)CCO TS31612 [0,1,1,0,0,0|1,0,0]=3 444 B6R0.1 CNCC(CO)O TS04078 [0,1,1,0,0,0|2,0,0]=4 445 B6R0.1 COCC(CCl)O TS36028 [0,1,1,0,0,0|2,0,0]=4 446 B6R0.1 COCC(CF)O TS31763 [0,1,1,0,0,0|2,0,0]=4 447 B6R0.1 COCC(CO)O TS04080 [0,1,1,0,0,0|2,0,0]=4 448 B6R0.1 CSCC(CO)O TS32525 [0,1,1,0,0,0|2,0,0]=4 449 B6R0.1 C[C@@H](CCO)CO TS04034 [0,1,1,0,0,0|2,0,0]=4 450 B6R0.1 C[C@H](CCO)CO TS04033 [0,1,1,0,0,0|2,0,0]=4 451 B6R0.4 B(CCCC)(Cl)Cl TS06333 [0,1,1,0,0,0|2,0,0]=4 452 B6R0.4 B(CCCC)(O)O TS94589 [0,1,1,0,0,0|2,0,0]=4 453 B6R0.4 CC#CCC(C)C TS31389 [0,1,1,0,0,0|0,0,2]=4 454 B6R0.4 CC(=C)CCCO TS31523 [0,1,1,0,0,0|1,0,1]=4 455 B6R0.4 CC(=O)CCCCl TS03260 [0,1,1,0,0,0|1,0,1]=4 456 B6R0.4 CC(=O)CCCO TS39779 [0,1,1,0,0,0|1,0,1]=4 457 B6R0.4 CC(=O)CCSC TS32359 [0,1,1,0,0,0|1,0,1]=4 458 B6R0.4 CC(C)CCC#C TS03732 [0,1,1,0,0,0|0,0,2]=4 459 B6R0.4 CC(C)CCC=C TS03801 [0,1,1,0,0,0|0,0,2]=4 460 B6R0.4 CC(C)CCC=O TS39767 [0,1,1,0,0,0|1,0,1]=4 461 B6R0.4 CC(C)CCCBr TS42858 [0,1,1,0,0,0|1,0,0]=3 462 B6R0.4 CC(C)CCCO TS03963 [0,1,1,0,0,0|1,0,0]=3 463 B6R0.4 CC(C)CCNC TS03922 [0,1,1,0,0,0|1,0,0]=3 464 B6R0.4 CC(C)NCCN TS03977 [0,1,1,0,0,0|2,0,0]=4 465 B6R0.4 CC(C)NCCO TS04007 [0,1,1,0,0,0|2,0,0]=4 466 B6R0.4 CC(C)OCCN TS39675 [0,1,1,0,0,0|2,0,0]=4 467 B6R0.4 CC(C)OCCO TS04040 [0,1,1,0,0,0|2,0,0]=4 468 B6R0.4 CC(C)SCCO TS32430 [0,1,1,0,0,0|2,0,0]=4 469 B6R0.4 CC(CCC=C)Br TS11654 [0,1,1,0,0,0|0,0,2]=4 470 B6R0.4 CC(CCC=C)O TS31524 [0,1,1,0,0,0|0,0,2]=4 471 B6R0.4 CC(CCCBr)Br TS52922 [0,1,1,0,0,0|1,0,0]=3 472 B6R0.4 CC(CCCO)O TS04032 [0,1,1,0,0,0|1,0,0]=3 473 B6R0.4 CC=CCC(C)C TS03790 [0,1,1,0,0,0|0,0,2]=4 474 B6R0.4 CCC#CC(C)C TS03722 [0,1,1,0,0,0|0,0,2]=4 475 B6R0.4 CCC#CC(C)O TS31430 [0,1,1,0,0,0|0,0,2]=4 476 B6R0.4 CCC=CC(C)C TS03789 [0,1,1,0,0,0|0,0,2]=4 477 B6R0.4 CCCCC(=C)C TS31452 [0,1,1,0,0,0|0,0,1]=3 478 B6R0.4 CCCCC(=O)Br TS42846 [0,1,1,0,0,0|1,0,1]=4 479 B6R0.4 CCCCC(=O)C TS31529 [0,1,1,0,0,0|0,0,1]=3 480 B6R0.4 CCCCC(=O)Cl TS32451 [0,1,1,0,0,0|1,0,1]=4 481 B6R0.4 CCCCC(=O)N TS31554 [0,1,1,0,0,0|1,0,1]=4 482 B6R0.4 CCCCC(=O)O TS03958 [0,1,1,0,0,0|1,0,1]=4 483 B6R0.4 CCCCC(=O)[O-] TS04789 [0,1,1,0,0,0|1,0,1]=4 484 B6R0.4 CCCCC(=O)[O-] TS30457 [0,1,1,0,0,0|1,0,1]=4 485 B6R0.4 CCCCC(C)Br TS42855 [0,1,1,0,0,0|0,0,0]=2 486 B6R0.4 CCCCC(C)C TS03881 [0,1,1,0,0,0|0,0,0]=2 487 B6R0.4 CCCCC(C)Cl TS04843 [0,1,1,0,0,0|0,0,0]=2 488 B6R0.4 CCCCC(C)I TS44108 [0,1,1,0,0,0|0,0,0]=2 489 B6R0.4 CCCCC(C)N TS31565 [0,1,1,0,0,0|0,0,0]=2 490 B6R0.4 CCCCC(C)O TS31617 [0,1,1,0,0,0|0,0,0]=2 491 B6R0.4 CCCCN(C)C TS03927 [0,1,1,0,0,0|1,0,0]=3 492 B6R0.4 CCCC[C@@H](C)N TS03923 [0,1,1,0,0,0|0,0,0]=2 493 B6R0.4 CCCC[C@@H](C)O TS03965 [0,1,1,0,0,0|0,0,0]=2 494 B6R0.4 CCCC[C@H](C)N TS03919 [0,1,1,0,0,0|0,0,0]=2 495 B6R0.4 CCCC[C@H](C)O TS31613 [0,1,1,0,0,0|0,0,0]=2 496 B6R0.4 CCCC[N+](=O)[O-] TS31647 [0,1,1,0,0,0|2,0,0]=4 497 B6R0.4 CCCC[Si](C)C TS04645 [0,1,1,0,0,0|0,1,0]=3 498 B6R0.4 CCCC[Sn](=O)O TS43570 [0,1,1,0,0,0|2,0,0]=4 499 B6R0.4 CCCNC(C)C TS03926 [0,1,1,0,0,0|1,0,0]=3 500 B6R0.4 CCCOC(=O)C TS03949 [0,1,1,0,0,0|1,0,1]=4 501 B6R0.4 CCCSC(=O)C TS32364 [0,1,1,0,0,0|1,0,1]=4 502 B6R0.4 CCCSC(C)C TS32368 [0,1,1,0,0,0|1,0,0]=3 503 B6R0.4 CCC[SiH2]C(Cl)Cl TS41736 [0,1,1,0,0,0|1,1,0]=4 504 B6R0.4 CCNCC(=C)C TS03829 [0,1,1,0,0,0|1,0,1]=4 505 B6R0.4 CCOCC(C)C TS03959 [0,1,1,0,0,0|1,0,0]=3 506 B6R0.4 CCSCC(=O)C TS32360 [0,1,1,0,0,0|1,0,1]=4 507 B6R0.4 CCSCC(C)C TS04752 [0,1,1,0,0,0|1,0,0]=3 508 B6R0.4 CN(C)CCCN TS39904 [0,1,1,0,0,0|2,0,0]=4 509 B6R0.4 CN(C)CCCO TS03999 [0,1,1,0,0,0|2,0,0]=4 510 B6R0.4 CNCCN(C)C TS39408 [0,1,1,0,0,0|2,0,0]=4 511 B6R0.4 C[C@@H](CCC=C)O TS03860 [0,1,1,0,0,0|0,0,2]=4 512 B6R0.6 C#CCCCCCl TS04652 [0,1,1,0,0,0|0,0,2]=4 513 B6R0.6 C#CCCCCO TS31426 [0,1,1,0,0,0|0,0,2]=4 514 B6R0.6 C(CBr)OCCBr TS08788 [0,1,1,0,0,0|2,0,0]=4 515 B6R0.6 C(CCBr)CC#N TS11479 [0,1,1,0,0,0|1,0,1]=4 516 B6R0.6 C(CCBr)CCBr TS07888 [0,1,1,0,0,0|1,0,0]=3 517 B6R0.6 C(CCCl)CC#N TS08706 [0,1,1,0,0,0|1,0,1]=4 518 B6R0.6 C(CCCl)CC=O TS32450 [0,1,1,0,0,0|1,0,1]=4 519 B6R0.6 C(CCCl)CCBr TS48788 [0,1,1,0,0,0|1,0,0]=3 520 B6R0.6 C(CCCl)CCCl TS06550 [0,1,1,0,0,0|1,0,0]=3 521 B6R0.6 C(CCCl)CCI TS53384 [0,1,1,0,0,0|1,0,0]=3 522 B6R0.6 C(CCCl)CC[Zn+] TS28126 [0,1,1,0,0,0|1,0,0]=3 523 B6R0.6 C(CCI)CCI TS77462 [0,1,1,0,0,0|1,0,0]=3 524 B6R0.6 C(CCN)CCN TS03978 [0,1,1,0,0,0|1,0,0]=3 525 B6R0.6 C(CCN)CCN TS45899 [0,1,1,0,0,0|1,0,0]=3 526 B6R0.6 C(CCN)CCO TS04006 [0,1,1,0,0,0|1,0,0]=3 527 B6R0.6 C(CCO)CC=O TS03340 [0,1,1,0,0,0|1,0,1]=4 528 B6R0.6 C(CCO)CCBr TS09812 [0,1,1,0,0,0|1,0,0]=3 529 B6R0.6 C(CCO)CCCl TS71520 [0,1,1,0,0,0|1,0,0]=3 530 B6R0.6 C(CCO)CCO TS46820 [0,1,1,0,0,0|1,0,0]=3 531 B6R0.6 C(CCS)CCS TS37065 [0,1,1,0,0,0|1,0,0]=3 532 B6R0.6 C(CC[Zn+])CC#N TS24406 [0,1,1,0,0,0|1,0,1]=4 533 B6R0.6 C(CCl)NCCCl TS55773 [0,1,1,0,0,0|2,0,0]=4 534 B6R0.6 C(CCl)OCCCl TS00044 [0,1,1,0,0,0|2,0,0]=4 535 B6R0.6 C(CI)OCCI TS63369 [0,1,1,0,0,0|2,0,0]=4 536 B6R0.6 C(CNCCN)N TS04014 [0,1,1,0,0,0|2,0,0]=4 537 B6R0.6 C(CNCCO)N TS00063 [0,1,1,0,0,0|2,0,0]=4 538 B6R0.6 C(CO)NCCO TS04076 [0,1,1,0,0,0|2,0,0]=4 539 B6R0.6 C(CO)NCCO TS37530 [0,1,1,0,0,0|2,0,0]=4 540 B6R0.6 C(CO)NCCO TS76269 [0,1,1,0,0,0|2,0,0]=4 541 B6R0.6 C(COCCCl)O TS36027 [0,1,1,0,0,0|2,0,0]=4 542 B6R0.6 C(COCCN)N TS04047 [0,1,1,0,0,0|2,0,0]=4 543 B6R0.6 C(COCCN)N TS47125 [0,1,1,0,0,0|2,0,0]=4 544 B6R0.6 C(COCCO)N TS04075 [0,1,1,0,0,0|2,0,0]=4 545 B6R0.6 C(COCCO)O TS01431 [0,1,1,0,0,0|2,0,0]=4 546 B6R0.6 C(COCCS)O TS32524 [0,1,1,0,0,0|2,0,0]=4 547 B6R0.6 C(CS)OCCS TS37236 [0,1,1,0,0,0|2,0,0]=4 548 B6R0.6 C(CSCCN)N TS32436 [0,1,1,0,0,0|2,0,0]=4 549 B6R0.6 C(CSCCO)N TS04873 [0,1,1,0,0,0|2,0,0]=4 550 B6R0.6 C(CSCCO)O TS32771 [0,1,1,0,0,0|2,0,0]=4 551 B6R0.6 C(CSCCS)S TS10516 [0,1,1,0,0,0|2,0,0]=4 552 B6R0.6 C=CCCCCBr TS33003 [0,1,1,0,0,0|0,0,2]=4 553 B6R0.6 C=CCCCCCl TS04773 [0,1,1,0,0,0|0,0,2]=4 554 B6R0.6 C=CCCCCN TS03830 [0,1,1,0,0,0|0,0,2]=4 555 B6R0.6 C=CCCCCO TS71562 [0,1,1,0,0,0|0,0,2]=4 556 B6R0.6 CC=CCCCO TS31509 [0,1,1,0,0,0|0,0,2]=4 557 B6R0.6 CC=CCCCO TS31521 [0,1,1,0,0,0|0,0,2]=4 558 B6R0.6 CCC#COCC TS31433 [0,1,1,0,0,0|0,0,2]=4 559 B6R0.6 CCC=CCCO TS31511 [0,1,1,0,0,0|0,0,2]=4 560 B6R0.6 CCC=CCCO TS31515 [0,1,1,0,0,0|0,0,2]=4 561 B6R0.6 CCCC#CCC TS03730 [0,1,1,0,0,0|0,0,1]=3 562 B6R0.6 CCCC=CCO TS03865 [0,1,1,0,0,0|0,0,2]=4 563 B6R0.6 CCCCC#CC TS03724 [0,1,1,0,0,0|0,0,1]=3 564 B6R0.6 CCCCC=CBr TS11653 [0,1,1,0,0,0|0,0,2]=4 565 B6R0.6 CCCCC=CC TS03803 [0,1,1,0,0,0|0,0,1]=3 566 B6R0.6 CCCCCC#C TS03726 [0,1,1,0,0,0|0,0,1]=3 567 B6R0.6 CCCCCC#N TS31405 [0,1,1,0,0,0|0,0,1]=3 568 B6R0.6 CCCCCC=C TS31453 [0,1,1,0,0,0|0,0,1]=3 569 B6R0.6 CCCCCC=O TS39877 [0,1,1,0,0,0|0,0,1]=3 570 B6R0.6 CCCCCCBr TS00036 [0,1,1,0,0,0|0,0,0]=2 571 B6R0.6 CCCCCCC TS03885 [0,1,1,0,0,0|0,0,0]=2 572 B6R0.6 CCCCCCCl TS04842 [0,1,1,0,0,0|0,0,0]=2 573 B6R0.6 CCCCCCF TS31676 [0,1,1,0,0,0|0,0,0]=2 574 B6R0.6 CCCCCCI TS93973 [0,1,1,0,0,0|0,0,0]=2 575 B6R0.6 CCCCCCN TS31561 [0,1,1,0,0,0|0,0,0]=2 576 B6R0.6 CCCCCCN TS37145 [0,1,1,0,0,0|0,0,0]=2 577 B6R0.6 CCCCCCO TS39881 [0,1,1,0,0,0|0,0,0]=2 578 B6R0.6 CCCCCCS TS04753 [0,1,1,0,0,0|0,0,0]=2 579 B6R0.6 CCCCCC[SiH3] TS04643 [0,1,1,0,0,0|0,0,0]=2 580 B6R0.6 CCCCCC[Zn+] TS24970 [0,1,1,0,0,0|0,0,0]=2 581 B6R0.6 CCCCCNC TS03916 [0,1,1,0,0,0|0,0,0]=2 582 B6R0.6 CCCCCNN TS06331 [0,1,1,0,0,0|1,0,0]=3 583 B6R0.6 CCCCCSC TS04750 [0,1,1,0,0,0|0,0,0]=2 584 B6R0.6 CCCCC[Mg]Cl TS36578 [0,1,1,0,0,0|1,0,0]=3 585 B6R0.6 CCCCN=C=O TS93082 [0,1,1,0,0,0|1,0,1]=4 586 B6R0.6 CCCCN=C=S TS04546 [0,1,1,0,0,0|1,0,1]=4 587 B6R0.6 CCCCNC=O TS03902 [0,1,1,0,0,0|1,0,1]=4 588 B6R0.6 CCCCNCC TS03925 [0,1,1,0,0,0|0,0,0]=2 589 B6R0.6 CCCCOC=C TS33237 [0,1,1,0,0,0|0,0,2]=4 590 B6R0.6 CCCCOC=O TS03954 [0,1,1,0,0,0|1,0,1]=4 591 B6R0.6 CCCCOCC TS03964 [0,1,1,0,0,0|0,0,0]=2 592 B6R0.6 CCCCOCCl TS04949 [0,1,1,0,0,0|1,0,0]=3 593 B6R0.6 CCCCON=O TS31645 [0,1,1,0,0,0|2,0,0]=4 594 B6R0.6 CCCCSC#N TS04545 [0,1,1,0,0,0|1,0,1]=4 595 B6R0.6 CCCCSCC TS04749 [0,1,1,0,0,0|0,0,0]=2 596 B6R0.6 CCCCS[SnH]=O TS23939 [0,1,1,0,0,0|2,0,0]=4 597 B6R0.6 CCCNCCC TS39857 [0,1,1,0,0,0|0,0,0]=2 598 B6R0.6 CCCNCCN TS03973 [0,1,1,0,0,0|1,0,0]=3 599 B6R0.6 CCCNCCO TS04001 [0,1,1,0,0,0|1,0,0]=3 600 B6R0.6 CCCOCCC TS03967 [0,1,1,0,0,0|0,0,0]=2 601 B6R0.6 CCCOCCC TS49356 [0,1,1,0,0,0|0,0,0]=2 602 B6R0.6 CCCOCCCl TS04951 [0,1,1,0,0,0|1,0,0]=3 603 B6R0.6 CCCOCCN TS04012 [0,1,1,0,0,0|1,0,0]=3 604 B6R0.6 CCCSC=CC TS04637 [0,1,1,0,0,0|0,0,2]=4 605 B6R0.6 CCCSCC=C TS04636 [0,1,1,0,0,0|0,0,2]=4 606 B6R0.6 CCCSCCC TS04756 [0,1,1,0,0,0|0,0,0]=2 607 B6R0.6 CCCSCCO TS32433 [0,1,1,0,0,0|1,0,0]=3 608 B6R0.6 CCCSSCC TS37066 [0,1,1,0,0,0|1,0,0]=3 609 B6R0.6 CCCSSSC TS10513 [0,1,1,0,0,0|2,0,0]=4 610 B6R0.6 CCC[Hg]CCC TS35002 [0,1,1,0,0,0|0,0,0]=2 611 B6R0.6 CCNCCC#N TS03784 [0,1,1,0,0,0|1,0,1]=4 612 B6R0.6 CCNCCCN TS03975 [0,1,1,0,0,0|1,0,0]=3 613 B6R0.6 CCNCCNC TS03972 [0,1,1,0,0,0|1,0,0]=3 614 B6R0.6 CCOCCC#N TS03822 [0,1,1,0,0,0|1,0,1]=4 615 B6R0.6 CCOCCCBr TS12340 [0,1,1,0,0,0|1,0,0]=3 616 B6R0.6 CCOCCCCl TS04950 [0,1,1,0,0,0|1,0,0]=3 617 B6R0.6 CCOCCCN TS04010 [0,1,1,0,0,0|1,0,0]=3 618 B6R0.6 CCOCCCO TS04028 [0,1,1,0,0,0|1,0,0]=3 619 B6R0.6 CCOCCOC TS04027 [0,1,1,0,0,0|1,0,0]=3 620 B6R0.6 CCOCOCC TS74492 [0,1,1,0,0,0|1,0,0]=3 621 B6R0.6 CCSCCCO TS32432 [0,1,1,0,0,0|1,0,0]=3 622 B6R0.6 CCSSSCC TS10514 [0,1,1,0,0,0|2,0,0]=4 623 B6R0.6 CNCCCNC TS56351 [0,1,1,0,0,0|1,0,0]=3 624 B6R0.6 COCCCCBr TS03145 [0,1,1,0,0,0|1,0,0]=3 625 B6R0.6 COCCCCCl TS39592 [0,1,1,0,0,0|1,0,0]=3 626 B6R0.6 COCCCCO TS07977 [0,1,1,0,0,0|1,0,0]=3 627 B6R0.6 COCCOCCl TS39595 [0,1,1,0,0,0|2,0,0]=4 628 B6R0.6 COCOCCBr TS44958 [0,1,1,0,0,0|2,0,0]=4 629 B6R0.6 CSCCCCO TS32429 [0,1,1,0,0,0|1,0,0]=3 630 B6R0.6 CSCCCSC TS37067 [0,1,1,0,0,0|1,0,0]=3 631 B6R0.6 [Li]CCCCCC TS03654 [0,1,1,0,0,0|0,0,0]=2 632 B6R1.2 C1C(CO[NH2+]1)O TS36081 [0,1,0,0,1,0|2,0,0]=4 633 B6R1.2 C1C=CCC1N TS04803 [0,1,0,0,1,0|0,0,2]=4 634 B6R1.2 C1C=CCC1O TS71171 [0,1,0,0,1,0|0,0,2]=4 635 B6R1.2 C1CC(=N)SC1 TS03910 [0,1,0,0,1,0|1,0,1]=4 636 B6R1.2 C1CC(=NC1)N TS04838 [0,1,0,0,1,0|1,0,1]=4 637 B6R1.2 C1CC(=O)NC1 TS39938 [0,1,0,0,1,0|1,0,1]=4 638 B6R1.2 C1CC(=O)NC1 TS63365 [0,1,0,0,1,0|1,0,1]=4 639 B6R1.2 C1CC(=O)SC1 TS31607 [0,1,0,0,1,0|1,0,1]=4 640 B6R1.2 C1CC(=S)NC1 TS03912 [0,1,0,0,1,0|1,0,1]=4 641 B6R1.2 C1CC(C=C1)Cl TS31621 [0,1,0,0,1,0|0,0,2]=4 642 B6R1.2 C1CC(OC1)N TS03559 [0,1,0,0,1,0|1,0,0]=3 643 B6R1.2 C1CC=C(C1)Cl TS31619 [0,1,0,0,1,0|0,0,2]=4 644 B6R1.2 C1CCC(=O)C1 TS03493 [0,1,0,0,1,0|0,0,1]=3 645 B6R1.2 C1CCC(C1)Br TS55827 [0,1,0,0,1,0|0,0,0]=2 646 B6R1.2 C1CCC(C1)Br TS68904 [0,1,0,0,1,0|0,0,0]=2 647 B6R1.2 C1CCC(C1)Cl TS04055 [0,1,0,0,1,0|0,0,0]=2 648 B6R1.2 C1CCC(C1)I TS18162 [0,1,0,0,1,0|0,0,0]=2 649 B6R1.2 C1CCC(C1)N TS34563 [0,1,0,0,1,0|0,0,0]=2 650 B6R1.2 C1CCC(C1)O TS71762 [0,1,0,0,1,0|0,0,0]=2 651 B6R1.2 C1CCC(C1)S TS03980 [0,1,0,0,1,0|0,0,0]=2 652 B6R1.2 C1CCC(C1)[SiH3] TS03890 [0,1,0,0,1,0|0,0,0]=2 653 B6R1.2 C1CCC(C1)[Zn+] TS44590 [0,1,0,0,1,0|0,0,0]=2 654 B6R1.2 C1CCN(C1)N TS03537 [0,1,0,0,1,0|1,0,0]=3 655 B6R1.2 C1CCN(C1)N TS32538 [0,1,0,0,1,0|1,0,0]=3 656 B6R1.2 C1CCS(=O)C1 TS31677 [0,1,0,0,1,0|1,0,0]=3 657 B6R1.2 C1CNCC1=O TS88446 [0,1,0,0,1,0|1,0,1]=4 658 B6R1.2 C1CNCC1F TS36083 [0,1,0,0,1,0|1,0,0]=3 659 B6R1.2 C1CNCC1F TS46663 [0,1,0,0,1,0|1,0,0]=3 660 B6R1.2 C1CNCC1N TS32537 [0,1,0,0,1,0|1,0,0]=3 661 B6R1.2 C1CNCC1O TS02802 [0,1,0,0,1,0|1,0,0]=3 662 B6R1.2 C1CNC[C@@H]1F TS00303 [0,1,0,0,1,0|1,0,0]=3 663 B6R1.2 C1CNC[C@@H]1F TS03597 [0,1,0,0,1,0|1,0,0]=3 664 B6R1.2 C1CNC[C@@H]1N TS03541 [0,1,0,0,1,0|1,0,0]=3 665 B6R1.2 C1CNC[C@@H]1N TS42016 [0,1,0,0,1,0|1,0,0]=3 666 B6R1.2 C1CNC[C@@H]1O TS87275 [0,1,0,0,1,0|1,0,0]=3 667 B6R1.2 C1CNC[C@@H]1O TS87623 [0,1,0,0,1,0|1,0,0]=3 668 B6R1.2 C1CNC[C@H]1F TS08083 [0,1,0,0,1,0|1,0,0]=3 669 B6R1.2 C1CNC[C@H]1F TS88030 [0,1,0,0,1,0|1,0,0]=3 670 B6R1.2 C1CNC[C@H]1N TS39939 [0,1,0,0,1,0|1,0,0]=3 671 B6R1.2 C1CNC[C@H]1N TS42017 [0,1,0,0,1,0|1,0,0]=3 672 B6R1.2 C1CNC[C@H]1O TS46618 [0,1,0,0,1,0|1,0,0]=3 673 B6R1.2 C1CNC[C@H]1O TS46665 [0,1,0,0,1,0|1,0,0]=3 674 B6R1.2 C1CNC[C@H]1O TS91049 [0,1,0,0,1,0|1,0,0]=3 675 B6R1.2 C1CNC[C@H]1O TS94423 [0,1,0,0,1,0|1,0,0]=3 676 B6R1.2 C1COCC1=O TS01440 [0,1,0,0,1,0|1,0,1]=4 677 B6R1.2 C1COCC1Br TS88092 [0,1,0,0,1,0|1,0,0]=3 678 B6R1.2 C1COCC1Cl TS31737 [0,1,0,0,1,0|1,0,0]=3 679 B6R1.2 C1COCC1I TS86694 [0,1,0,0,1,0|1,0,0]=3 680 B6R1.2 C1COCC1N TS89945 [0,1,0,0,1,0|1,0,0]=3 681 B6R1.2 C1COCC1O TS06712 [0,1,0,0,1,0|1,0,0]=3 682 B6R1.2 C1COCC1O TS59434 [0,1,0,0,1,0|1,0,0]=3 683 B6R1.2 C1COCC1O TS89114 [0,1,0,0,1,0|1,0,0]=3 684 B6R1.2 C1COC[C@@H]1I TS91739 [0,1,0,0,1,0|1,0,0]=3 685 B6R1.2 C1COC[C@@H]1N TS04989 [0,1,0,0,1,0|1,0,0]=3 686 B6R1.2 C1COC[C@@H]1N TS85171 [0,1,0,0,1,0|1,0,0]=3 687 B6R1.2 C1COC[C@@H]1O TS01967 [0,1,0,0,1,0|1,0,0]=3 688 B6R1.2 C1COC[C@H]1I TS88696 [0,1,0,0,1,0|1,0,0]=3 689 B6R1.2 C1COC[C@H]1N TS46680 [0,1,0,0,1,0|1,0,0]=3 690 B6R1.2 C1COC[C@H]1O TS59862 [0,1,0,0,1,0|1,0,0]=3 691 B6R1.2 C1CSCC1=O TS81072 [0,1,0,0,1,0|1,0,1]=4 692 B6R1.2 C1CSCC1Cl TS32541 [0,1,0,0,1,0|1,0,0]=3 693 B6R1.2 C1CSCC1N TS04016 [0,1,0,0,1,0|1,0,0]=3 694 B6R1.2 C1CSCC1O TS31682 [0,1,0,0,1,0|1,0,0]=3 695 B6R1.2 CC1=CCCC1 TS71683 [0,1,0,0,1,0|0,0,2]=4 696 B6R1.2 CC1=NCCC1 TS32917 [0,1,0,0,1,0|1,0,1]=4 697 B6R1.2 CC1CCCC1 TS22155 [0,1,0,0,1,0|0,0,0]=2 698 B6R1.2 CC1CCCC1 TS22325 [0,1,0,0,1,0|0,0,0]=2 699 B6R1.2 CC1CCCC1 TS31194 [0,1,0,0,1,0|0,0,0]=2 700 B6R1.2 CC1CCCC1 TS69413 [0,1,0,0,1,0|0,0,0]=2 701 B6R1.2 CC1CCCC1 TS77214 [0,1,0,0,1,0|0,0,0]=2 702 B6R1.2 CC1CCCC1 TS77590 [0,1,0,0,1,0|0,0,0]=2 703 B6R1.2 CC1CCCN1 TS03512 [0,1,0,0,1,0|1,0,0]=3 704 B6R1.2 CC1CCCO1 TS71748 [0,1,0,0,1,0|1,0,0]=3 705 B6R1.2 CC1CCCS1 TS03982 [0,1,0,0,1,0|1,0,0]=3 706 B6R1.2 CC1CCNC1 TS04878 [0,1,0,0,1,0|1,0,0]=3 707 B6R1.2 CC1CCOC1 TS71755 [0,1,0,0,1,0|1,0,0]=3 708 B6R1.2 CC1CCSC1 TS03984 [0,1,0,0,1,0|1,0,0]=3 709 B6R1.2 CC1COCO1 TS03579 [0,1,0,0,1,0|2,0,0]=4 710 B6R1.2 CC1OCCO1 TS03576 [0,1,0,0,1,0|2,0,0]=4 711 B6R1.2 CC1SCCS1 TS32438 [0,1,0,0,1,0|2,0,0]=4 712 B6R1.2 CN1CCCC1 TS85196 [0,1,0,0,1,0|1,0,0]=3 713 B6R1.2 C[C@@H]1CCNC1 TS46531 [0,1,0,0,1,0|1,0,0]=3 714 B6R1.2 C[C@H]1CCCN1 TS08127 [0,1,0,0,1,0|1,0,0]=3 715 B6R1.2 C[C@H]1CCCN1 TS59864 [0,1,0,0,1,0|1,0,0]=3 716 B6R1.2 C[C@H]1CCNC1 TS04879 [0,1,0,0,1,0|1,0,0]=3 717 B8R1.22 C1CC(=O)CCC=C1 TS04197 [0,1,0,0,0,1|0,0,2]=4 718 B8R1.22 C1CC(=O)CCNC1 TS89498 [0,1,0,0,0,1|0,0,1]=3 719 B8R1.22 C1CC(CCNC1)F TS91335 [0,1,0,0,0,1|0,0,0]=2 720 B8R1.22 C1CC(CCNC1)N TS04492 [0,1,0,0,0,1|0,0,0]=2 721 B8R1.22 C1CC(CCNC1)O TS01362 [0,1,0,0,0,1|0,0,0]=2 722 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,1,0,0,0,1|0,0,2]=4 723 B8R1.22 C1CCC(=O)NCC1 TS04386 [0,1,0,0,0,1|0,0,1]=3 724 B8R1.22 C1CCC(=O)NCC1 TS49157 [0,1,0,0,0,1|0,0,1]=3 725 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,1,0,0,0,1|0,0,1]=3 726 B8R1.22 C1CCC(=S)NCC1 TS05487 [0,1,0,0,0,1|0,0,1]=3 727 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,1,0,0,0,1|0,0,0]=2 728 B8R1.22 C1CCCC(CC1)Br TS46223 [0,1,0,0,0,1|0,0,0]=2 729 B8R1.22 C1CCCC(CC1)Cl TS36739 [0,1,0,0,0,1|0,0,0]=2 730 B8R1.22 C1CCCC(CC1)N TS04399 [0,1,0,0,0,1|0,0,0]=2 731 B8R1.22 C1CCCC(CC1)O TS04470 [0,1,0,0,0,1|0,0,0]=2 732 B8R1.22 C1CCCN(CC1)N TS04497 [0,1,0,0,0,1|0,0,0]=2 733 B8R1.22 C1CCNC(=S)NC1 TS05580 [0,1,0,0,0,1|1,0,1]=4 734 B8R1.22 C1CCNCC(C1)N TS07845 [0,1,0,0,0,1|0,0,0]=2 735 B8R1.22 C1CNCC(=O)NC1 TS32078 [0,1,0,0,0,1|1,0,1]=4 736 B8R1.22 C1COCC(=O)CO1 TS32190 [0,1,0,0,0,1|1,0,1]=4 737 B8R1.22 C1COCCNC1=O TS04534 [0,1,0,0,0,1|1,0,1]=4 738 B8R1.22 C=C1OCCCCO1 TS04434 [0,1,0,0,0,1|1,0,1]=4 739 B8R1.22 CC1=CCCCCC1 TS04216 [0,1,0,0,0,1|0,0,1]=3 740 B8R1.22 CC1CCCCCC1 TS04339 [0,1,0,0,0,1|0,0,0]=2 741 B8R1.22 CC1OCCCCO1 TS32214 [0,1,0,0,0,1|1,0,0]=3 742 B8R1.22 CN1CCCCCC1 TS32032 [0,1,0,0,0,1|0,0,0]=2 743 B8R1.22 CN1CCCNCC1 TS00463 [0,1,0,0,0,1|1,0,0]=3 744 B8R1.2 C#CC1CCCNC1 TS89660 [0,2,0,0,0,0|1,0,0]=3 745 B8R1.2 C#CC1CCCOC1 TS85837 [0,2,0,0,0,0|1,0,0]=3 746 B8R1.2 C#CC1CCNCC1 TS87859 [0,2,0,0,0,0|1,0,0]=3 747 B8R1.2 C#CC1CCOCC1 TS89052 [0,2,0,0,0,0|1,0,0]=3 748 B8R1.2 C#CC1CCSCC1 TS92849 [0,2,0,0,0,0|1,0,0]=3 749 B8R1.2 C1CC(CC=C1)C#N TS04114 [0,2,0,0,0,0|0,0,2]=4 750 B8R1.2 C1CC(CC=C1)C=O TS60200 [0,2,0,0,0,0|0,0,2]=4 751 B8R1.2 C1CC(CC=C1)CO TS31925 [0,2,0,0,0,0|0,0,2]=4 752 B8R1.2 C1CC(CC=C1)CO TS93417 [0,2,0,0,0,0|0,0,2]=4 753 B8R1.2 C1CC(CNC1)C#N TS00184 [0,2,0,0,0,0|1,0,0]=3 754 B8R1.2 C1CC(CNC1)C#N TS07292 [0,2,0,0,0,0|1,0,0]=3 755 B8R1.2 C1CC(CNC1)CO TS88392 [0,2,0,0,0,0|1,0,0]=3 756 B8R1.2 C1CC(COC1)C=O TS16821 [0,2,0,0,0,0|1,0,0]=3 757 B8R1.2 C1CC(COC1)CBr TS86643 [0,2,0,0,0,0|1,0,0]=3 758 B8R1.2 C1CC(COC1)CN TS46681 [0,2,0,0,0,0|1,0,0]=3 759 B8R1.2 C1CC(COC1)CO TS86137 [0,2,0,0,0,0|1,0,0]=3 760 B8R1.2 C1CCC(=CC1)C#N TS04115 [0,2,0,0,0,0|0,0,2]=4 761 B8R1.2 C1CCC(=CC1)C=O TS31838 [0,2,0,0,0,0|0,0,2]=4 762 B8R1.2 C1CCC(=CC1)CBr TS90142 [0,2,0,0,0,0|0,0,2]=4 763 B8R1.2 C1CCC(=NO)CC1 TS04394 [0,2,0,0,0,0|0,0,1]=3 764 B8R1.2 C1CCC(CC1)C#N TS31808 [0,2,0,0,0,0|0,0,0]=2 765 B8R1.2 C1CCC(CC1)C#N TS40668 [0,2,0,0,0,0|0,0,0]=2 766 B8R1.2 C1CCC(CC1)C=O TS01404 [0,2,0,0,0,0|0,0,0]=2 767 B8R1.2 C1CCC(CC1)CBr TS46572 [0,2,0,0,0,0|0,0,0]=2 768 B8R1.2 C1CCC(CC1)CCl TS36740 [0,2,0,0,0,0|0,0,0]=2 769 B8R1.2 C1CCC(CC1)CN TS04402 [0,2,0,0,0,0|0,0,0]=2 770 B8R1.2 C1CCC(CC1)CO TS04473 [0,2,0,0,0,0|0,0,0]=2 771 B8R1.2 C1CCC(CC1)CS TS05617 [0,2,0,0,0,0|0,0,0]=2 772 B8R1.2 C1CCC(CC1)NO TS10098 [0,2,0,0,0,0|0,0,0]=2 773 B8R1.2 C1CCC(CC1)[Mg]Br TS50598 [0,2,0,0,0,0|0,0,0]=2 774 B8R1.2 C1CCC(CC1)[Mg]Cl TS06810 [0,2,0,0,0,0|0,0,0]=2 775 B8R1.2 C1CCN(CC1)C#N TS04210 [0,2,0,0,0,0|1,0,0]=3 776 B8R1.2 C1CCN(CC1)C=O TS56398 [0,2,0,0,0,0|1,0,0]=3 777 B8R1.2 C1CCN(CC1)CCl TS05849 [0,2,0,0,0,0|1,0,0]=3 778 B8R1.2 C1CCN(CC1)CO TS32161 [0,2,0,0,0,0|1,0,0]=3 779 B8R1.2 C1CCN(CC1)N=O TS01612 [0,2,0,0,0,0|1,0,0]=3 780 B8R1.2 C1CCNC(C1)C#N TS85344 [0,2,0,0,0,0|1,0,0]=3 781 B8R1.2 C1CCNC(C1)C=O TS04396 [0,2,0,0,0,0|1,0,0]=3 782 B8R1.2 C1CCNC(C1)CN TS02462 [0,2,0,0,0,0|1,0,0]=3 783 B8R1.2 C1CCNC(C1)CO TS02460 [0,2,0,0,0,0|1,0,0]=3 784 B8R1.2 C1CCOC(C1)CCl TS05953 [0,2,0,0,0,0|1,0,0]=3 785 B8R1.2 C1CCOC(C1)CN TS59436 [0,2,0,0,0,0|1,0,0]=3 786 B8R1.2 C1CCOC(C1)CN TS59437 [0,2,0,0,0,0|1,0,0]=3 787 B8R1.2 C1CCOC(C1)CO TS59577 [0,2,0,0,0,0|1,0,0]=3 788 B8R1.2 C1CCOC(C1)ON TS59328 [0,2,0,0,0,0|1,0,0]=3 789 B8R1.2 C1CN(CCN1)C=O TS00443 [0,2,0,0,0,0|2,0,0]=4 790 B8R1.2 C1CN(CCN1)CO TS04601 [0,2,0,0,0,0|2,0,0]=4 791 B8R1.2 C1CNC(CN1)C#N TS59351 [0,2,0,0,0,0|2,0,0]=4 792 B8R1.2 C1CNCCC1C#N TS03067 [0,2,0,0,0,0|1,0,0]=3 793 B8R1.2 C1CNCCC1C#N TS07290 [0,2,0,0,0,0|1,0,0]=3 794 B8R1.2 C1CNCCC1C=O TS59355 [0,2,0,0,0,0|1,0,0]=3 795 B8R1.2 C1CNCCC1CF TS86720 [0,2,0,0,0,0|1,0,0]=3 796 B8R1.2 C1CNCCC1CN TS16890 [0,2,0,0,0,0|1,0,0]=3 797 B8R1.2 C1CNCCC1CO TS85529 [0,2,0,0,0,0|1,0,0]=3 798 B8R1.2 C1CN[C@@H](CN1)CO TS50857 [0,2,0,0,0,0|2,0,0]=4 799 B8R1.2 C1COC(CN1)C#N TS59804 [0,2,0,0,0,0|2,0,0]=4 800 B8R1.2 C1COC(CN1)CN TS86947 [0,2,0,0,0,0|2,0,0]=4 801 B8R1.2 C1COC(CN1)CO TS55399 [0,2,0,0,0,0|2,0,0]=4 802 B8R1.2 C1COC(CO1)CI TS52574 [0,2,0,0,0,0|2,0,0]=4 803 B8R1.2 C1COC(CO1)CN TS08685 [0,2,0,0,0,0|2,0,0]=4 804 B8R1.2 C1COCC(N1)CO TS02790 [0,2,0,0,0,0|2,0,0]=4 805 B8R1.2 C1COCC(N1)CO TS41317 [0,2,0,0,0,0|2,0,0]=4 806 B8R1.2 C1COCCC1C#N TS16666 [0,2,0,0,0,0|1,0,0]=3 807 B8R1.2 C1COCCC1C=O TS59439 [0,2,0,0,0,0|1,0,0]=3 808 B8R1.2 C1COCCC1CBr TS16902 [0,2,0,0,0,0|1,0,0]=3 809 B8R1.2 C1COCCC1CI TS24100 [0,2,0,0,0,0|1,0,0]=3 810 B8R1.2 C1COCCC1CN TS03003 [0,2,0,0,0,0|1,0,0]=3 811 B8R1.2 C1COCCC1CN TS07685 [0,2,0,0,0,0|1,0,0]=3 812 B8R1.2 C1COCCC1CO TS59440 [0,2,0,0,0,0|1,0,0]=3 813 B8R1.2 C1COCCC1NN TS41226 [0,2,0,0,0,0|1,0,0]=3 814 B8R1.2 C1COCCC1NN TS87156 [0,2,0,0,0,0|1,0,0]=3 815 B8R1.2 C1COCCN1C#N TS04286 [0,2,0,0,0,0|2,0,0]=4 816 B8R1.2 C1COCCN1C=O TS34591 [0,2,0,0,0,0|2,0,0]=4 817 B8R1.2 C1COCCN1CCl TS06024 [0,2,0,0,0,0|2,0,0]=4 818 B8R1.2 C1COCCN1CI TS24306 [0,2,0,0,0,0|2,0,0]=4 819 B8R1.2 C1COCCN1N=O TS04571 [0,2,0,0,0,0|2,0,0]=4 820 B8R1.2 C1COC[C@@H](N1)CO TS41310 [0,2,0,0,0,0|2,0,0]=4 821 B8R1.2 C1COC[C@H](N1)CO TS32280 [0,2,0,0,0,0|2,0,0]=4 822 B8R1.2 C1CO[C@@H](CN1)CO TS32281 [0,2,0,0,0,0|2,0,0]=4 823 B8R1.2 C1CO[C@H](CN1)CO TS46590 [0,2,0,0,0,0|2,0,0]=4 824 B8R1.2 C1CSC(CS1)C#N TS40348 [0,2,0,0,0,0|2,0,0]=4 825 B8R1.2 C1CSCCC1C#N TS90376 [0,2,0,0,0,0|1,0,0]=3 826 B8R1.2 C1CSCCC1CN TS91963 [0,2,0,0,0,0|1,0,0]=3 827 B8R1.2 C1CSCCC1CO TS90016 [0,2,0,0,0,0|1,0,0]=3 828 B8R1.2 C1C[C@@H](CNC1)C#N TS92391 [0,2,0,0,0,0|1,0,0]=3 829 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [0,2,0,0,0,0|1,0,0]=3 830 B8R1.2 C1C[C@H](CNC1)C#N TS92378 [0,2,0,0,0,0|1,0,0]=3 831 B8R1.2 C1C[C@H](CNC1)CO TS46591 [0,2,0,0,0,0|1,0,0]=3 832 B8R1.2 CCC1=CCCCC1 TS31842 [0,2,0,0,0,0|0,0,2]=4 833 B8R1.2 CCC1CCCCC1 TS04342 [0,2,0,0,0,0|0,0,0]=2 834 B8R1.2 CCC1CCCCN1 TS04398 [0,2,0,0,0,0|1,0,0]=3 835 B8R1.2 CCC1CNCCN1 TS55315 [0,2,0,0,0,0|2,0,0]=4 836 B8R1.2 CCN1CCCCC1 TS00439 [0,2,0,0,0,0|1,0,0]=3 837 B8R1.2 CCN1CCCCC1 TS32031 [0,2,0,0,0,0|1,0,0]=3 838 B8R1.2 CCN1CCNCC1 TS04487 [0,2,0,0,0,0|2,0,0]=4 839 B8R1.2 CCN1CCOCC1 TS32166 [0,2,0,0,0,0|2,0,0]=4 840 B8R1.2 CC[C@@H]1CNCCN1 TS04491 [0,2,0,0,0,0|2,0,0]=4 841 B8R1.2 CC[C@@H]1CNCCN1 TS49029 [0,2,0,0,0,0|2,0,0]=4 842 B8R1.2 CNC1CCCCC1 TS08095 [0,2,0,0,0,0|0,0,0]=2 843 B8R1.2 CNC1CCCNC1 TS77173 [0,2,0,0,0,0|1,0,0]=3 844 B8R1.2 CNC1CCOCC1 TS01608 [0,2,0,0,0,0|1,0,0]=3 845 B8R1.2 CNC1CCOCC1 TS41077 [0,2,0,0,0,0|1,0,0]=3 846 B8R1.2 COC1=CCCCC1 TS04308 [0,2,0,0,0,0|0,0,2]=4 847 B8R1.2 COC1=NCCCC1 TS04387 [0,2,0,0,0,0|1,0,1]=4 848 B8R1.2 COC1CCCC=C1 TS31935 [0,2,0,0,0,0|0,0,2]=4 849 B8R1.2 COC1CCCCC1 TS32092 [0,2,0,0,0,0|0,0,0]=2 850 B8R1.2 COC1CCCNC1 TS86602 [0,2,0,0,0,0|1,0,0]=3 851 B8R1.2 COC1CCNCC1 TS03162 [0,2,0,0,0,0|1,0,0]=3 852 B8R1.2 COC1CCNCC1 TS10095 [0,2,0,0,0,0|1,0,0]=3 853 B8R1.2 CO[C@@H]1CCCNC1 TS90956 [0,2,0,0,0,0|1,0,0]=3 854 B8R1.2 CO[C@@H]1CCCNC1 TS90967 [0,2,0,0,0,0|1,0,0]=3 855 B8R1.2 CO[C@H]1CCCNC1 TS86418 [0,2,0,0,0,0|1,0,0]=3 856 B8R1.2 CO[C@H]1CCCNC1 TS90968 [0,2,0,0,0,0|1,0,0]=3 857 B8R1.2 CSC1CCCCC1 TS05616 [0,2,0,0,0,0|0,0,0]=2 858 B8R1.2 CSC1CCNCC1 TS88660 [0,2,0,0,0,0|1,0,0]=3 859 B8R1.2 [C-]#[N+]C1CCCCC1 TS34562 [0,2,0,0,0,0|0,0,0]=2 860 B8R1.3 B=[O+2]1CCN(CC1)C TS32140 [0,2,0,0,0,0|2,0,0]=4 861 B8R1.3 C1C(OCC(O1)O)O TS02136 [0,2,0,0,0,0|2,0,0]=4 862 B8R1.3 C1C(SCC(S1)O)O TS41188 [0,2,0,0,0,0|2,0,0]=4 863 B8R1.3 C1C(SCC(S1)O)O TS93769 [0,2,0,0,0,0|2,0,0]=4 864 B8R1.3 C1CC(=O)CCC1=O TS39842 [0,2,0,0,0,0|0,0,2]=4 865 B8R1.3 C1CC(=O)CCC1O TS94873 [0,2,0,0,0,0|0,0,1]=3 866 B8R1.3 C1CC(=O)NCC1N TS88548 [0,2,0,0,0,0|1,0,1]=4 867 B8R1.3 C1CC(CCC1Br)Br TS26770 [0,2,0,0,0,0|0,0,0]=2 868 B8R1.3 C1CC(CCC1Cl)Cl TS10276 [0,2,0,0,0,0|0,0,0]=2 869 B8R1.3 C1CC(CCC1N)N TS04489 [0,2,0,0,0,0|0,0,0]=2 870 B8R1.3 C1CC(CCC1N)O TS02991 [0,2,0,0,0,0|0,0,0]=2 871 B8R1.3 C1CC(CCC1N)O TS93903 [0,2,0,0,0,0|0,0,0]=2 872 B8R1.3 C1CC(CCC1O)Cl TS05955 [0,2,0,0,0,0|0,0,0]=2 873 B8R1.3 C1CC(CCC1O)O TS32227 [0,2,0,0,0,0|0,0,0]=2 874 B8R1.3 C1CC(NCC1Cl)N TS05956 [0,2,0,0,0,0|1,0,0]=3 875 B8R1.3 C1C[C@@H](C=C[C@H]1O)O TS32069 [0,2,0,0,0,0|0,0,2]=4 876 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N TS93779 [0,2,0,0,0,0|0,0,0]=2 877 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O TS89848 [0,2,0,0,0,0|0,0,0]=2 878 B8R1.3 C1[C@@H](CC[C@H](C1)Cl)Cl TS10278 [0,2,0,0,0,0|0,0,0]=2 879 B8R1.3 C1[C@@H](CC[C@H](C1)N)N TS59454 [0,2,0,0,0,0|0,0,0]=2 880 B8R1.3 C1[C@@H](CC[C@H](C1)O)O TS32222 [0,2,0,0,0,0|0,0,0]=2 881 B8R1.3 C=C1CCC(=C)CC1 TS04140 [0,2,0,0,0,0|0,0,2]=4 882 B8R1.3 CC1CCC(=O)CC1 TS39765 [0,2,0,0,0,0|0,0,1]=3 883 B8R1.3 CC1CCC(CC1)Br TS46222 [0,2,0,0,0,0|0,0,0]=2 884 B8R1.3 CC1CCC(CC1)Cl TS36737 [0,2,0,0,0,0|0,0,0]=2 885 B8R1.3 CC1CCC(CC1)O TS32101 [0,2,0,0,0,0|0,0,0]=2 886 B8R1.3 CC1CCN(CC1)N TS04493 [0,2,0,0,0,0|1,0,0]=3 887 B8R1.3 CC1CNC(CN1)C TS04496 [0,2,0,0,0,0|2,0,0]=4 888 B8R1.3 CN1CCC(=O)CC1 TS00486 [0,2,0,0,0,0|1,0,1]=4 889 B8R1.3 CN1CCC(CC1)N TS91071 [0,2,0,0,0,0|1,0,0]=3 890 B8R1.3 CN1CCC(CC1)O TS00485 [0,2,0,0,0,0|1,0,0]=3 891 B8R1.3 CN1CCC(CC1)O TS87606 [0,2,0,0,0,0|1,0,0]=3 892 B8R1.3 CN1CCN(CC1)C TS04488 [0,2,0,0,0,0|2,0,0]=4 893 B8R1.3 CN1CCN(CC1)N TS04541 [0,2,0,0,0,0|2,0,0]=4 894 B8R1.3 C[C@@H]1CN[C@H](CN1)C TS32116 [0,2,0,0,0,0|2,0,0]=4 895 B8R1.3 C[C@H]1CC[C@@H](CC1)C TS31961 [0,2,0,0,0,0|0,0,0]=2 896 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS40806 [0,2,0,0,0,0|0,0,0]=2 897 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS94786 [0,2,0,0,0,0|0,0,0]=2 898 B8R1.3 C[C@H]1CC[C@@H](CC1)O TS32104 [0,2,0,0,0,0|0,0,0]=2 899 B8R1.3 C[C@H]1CC[C@@H](NC1)C TS04401 [0,2,0,0,0,0|1,0,0]=3 900 B8R1.3 C[C@H]1CC[C@H](CC1)C TS04337 [0,2,0,0,0,0|0,0,0]=2 901 B8R1.3 C[C@H]1CC[C@H](CC1)N TS40803 [0,2,0,0,0,0|0,0,0]=2 902 B8R1.3 C[C@H]1CC[C@H](CC1)O TS32107 [0,2,0,0,0,0|0,0,0]=2 903 B8R1.3 C[C@H]1CN[C@H](CN1)C TS55821 [0,2,0,0,0,0|2,0,0]=4 904 B8R1.4 C1C(CNCC1Br)Br TS26943 [0,2,0,0,0,0|1,0,0]=3 905 B8R1.4 C1CC(=O)CC(=O)C1 TS39841 [0,2,0,0,0,0|0,0,2]=4 906 B8R1.4 C1CC(CC(C1)O)N TS65882 [0,2,0,0,0,0|0,0,0]=2 907 B8R1.4 C1CC(CC(C1)O)O TS32206 [0,2,0,0,0,0|0,0,0]=2 908 B8R1.4 C1CC(NC(C1)Br)Br TS26942 [0,2,0,0,0,0|1,0,0]=3 909 B8R1.4 C1CNC(=O)CC1N TS02971 [0,2,0,0,0,0|1,0,1]=4 910 B8R1.4 C1CNC(=O)CC1O TS03134 [0,2,0,0,0,0|1,0,1]=4 911 B8R1.4 C1CNC(=O)C[C@@H]1O TS04536 [0,2,0,0,0,0|1,0,1]=4 912 B8R1.4 CC1=CC(CCC1)O TS31949 [0,2,0,0,0,0|0,0,2]=4 913 B8R1.4 CC1CC(=O)CCN1 TS59976 [0,2,0,0,0,0|1,0,1]=4 914 B8R1.4 CC1CC(=O)CCO1 TS87534 [0,2,0,0,0,0|1,0,1]=4 915 B8R1.4 CC1CC(CCN1)O TS85562 [0,2,0,0,0,0|1,0,0]=3 916 B8R1.4 CC1CC(CCO1)O TS88683 [0,2,0,0,0,0|1,0,0]=3 917 B8R1.4 CC1CC(CNC1)C TS65817 [0,2,0,0,0,0|1,0,0]=3 918 B8R1.4 CC1CCCC(=C1)C TS48310 [0,2,0,0,0,0|0,0,2]=4 919 B8R1.4 CC1CCCC(=O)O1 TS04447 [0,2,0,0,0,0|1,0,1]=4 920 B8R1.4 CC1CCCC(C1)C TS04353 [0,2,0,0,0,0|0,0,0]=2 921 B8R1.4 CC1CCCC(C1)C TS06754 [0,2,0,0,0,0|0,0,0]=2 922 B8R1.4 CC1CCCC(N1)C TS00705 [0,2,0,0,0,0|1,0,0]=3 923 B8R1.4 CC1CCNC(=N)C1 TS45483 [0,2,0,0,0,0|1,0,1]=4 924 B8R1.4 CC1CCNC(C1)C TS07699 [0,2,0,0,0,0|1,0,0]=3 925 B8R1.4 CC1CCOC(=O)C1 TS32063 [0,2,0,0,0,0|1,0,1]=4 926 B8R1.4 CC1CCOC(O1)C TS32215 [0,2,0,0,0,0|2,0,0]=4 927 B8R1.4 CC1CNCC(N1)C TS00704 [0,2,0,0,0,0|2,0,0]=4 928 B8R1.4 CC1CNCC(O1)C TS32156 [0,2,0,0,0,0|2,0,0]=4 929 B8R1.4 CN1CCCC(=O)C1 TS46998 [0,2,0,0,0,0|1,0,1]=4 930 B8R1.4 CN1CCCC(C1)N TS46440 [0,2,0,0,0,0|1,0,0]=3 931 B8R1.4 CN1CCCC(C1)O TS32155 [0,2,0,0,0,0|1,0,0]=3 932 B8R1.4 CN1CCC[C@@H](C1)N TS89342 [0,2,0,0,0,0|1,0,0]=3 933 B8R1.4 CN1CCC[C@@H](C1)N TS90187 [0,2,0,0,0,0|1,0,0]=3 934 B8R1.4 CN1CCC[C@@H](C1)O TS90969 [0,2,0,0,0,0|1,0,0]=3 935 B8R1.4 CN1CCC[C@H](C1)N TS91342 [0,2,0,0,0,0|1,0,0]=3 936 B8R1.4 CN1CCC[C@H](C1)O TS90931 [0,2,0,0,0,0|1,0,0]=3 937 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [0,2,0,0,0,0|1,0,1]=4 938 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [0,2,0,0,0,0|0,0,1]=3 939 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [0,2,0,0,0,0|1,0,1]=4 940 B8R1.4 C[C@@H]1CCC[C@@H](N1)C TS55822 [0,2,0,0,0,0|1,0,0]=3 941 B8R1.4 C[C@@H]1CNC[C@@H](O1)C TS90636 [0,2,0,0,0,0|2,0,0]=4 942 B8R1.4 C[C@@H]1CNC[C@H](O1)C TS88923 [0,2,0,0,0,0|2,0,0]=4 943 B8R1.4 C[C@@H]1COC[C@@H](N1)C TS88648 [0,2,0,0,0,0|2,0,0]=4 944 B8R1.4 C[C@@H]1C[C@@H](CCN1)O TS92594 [0,2,0,0,0,0|1,0,0]=3 945 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [0,2,0,0,0,0|1,0,1]=4 946 B8R1.4 C[C@H]1C[C@H](CCN1)O TS91872 [0,2,0,0,0,0|1,0,0]=3 947 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,2,0,0,0,0|1,0,1]=4 948 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,2,0,0,0,0|1,0,1]=4 949 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [0,2,0,0,0,0|0,0,2]=4 950 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,2,0,0,0,0|0,0,1]=3 951 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,2,0,0,0,0|0,0,1]=3 952 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,2,0,0,0,0|0,0,1]=3 953 B8R1.5 C1CCC(C(C1)Br)Br TS26769 [0,2,0,0,0,0|0,0,0]=2 954 B8R1.5 C1CCC(C(C1)F)Br TS48027 [0,2,0,0,0,0|0,0,0]=2 955 B8R1.5 C1CCC(C(C1)N)N TS21352 [0,2,0,0,0,0|0,0,0]=2 956 B8R1.5 C1CCC(C(C1)N)N TS67173 [0,2,0,0,0,0|0,0,0]=2 957 B8R1.5 C1CCC(C(C1)O)Cl TS05949 [0,2,0,0,0,0|0,0,0]=2 958 B8R1.5 C1CCC(C(C1)O)O TS32216 [0,2,0,0,0,0|0,0,0]=2 959 B8R1.5 C1CCN(C(=O)C1)N TS32084 [0,2,0,0,0,0|1,0,1]=4 960 B8R1.5 C1CC[C@@H]([C@@H](C1)Cl)Cl TS10277 [0,2,0,0,0,0|0,0,0]=2 961 B8R1.5 C1CC[C@@H]([C@@H](C1)N)N TS04490 [0,2,0,0,0,0|0,0,0]=2 962 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O TS32224 [0,2,0,0,0,0|0,0,0]=2 963 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS07988 [0,2,0,0,0,0|0,0,0]=2 964 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS22908 [0,2,0,0,0,0|0,0,0]=2 965 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS93093 [0,2,0,0,0,0|0,0,0]=2 966 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS10097 [0,2,0,0,0,0|0,0,0]=2 967 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS32157 [0,2,0,0,0,0|0,0,0]=2 968 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br TS26767 [0,2,0,0,0,0|0,0,0]=2 969 B8R1.5 C1CC[C@H]([C@@H](C1)Cl)Cl TS10275 [0,2,0,0,0,0|0,0,0]=2 970 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS01623 [0,2,0,0,0,0|0,0,0]=2 971 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS09980 [0,2,0,0,0,0|0,0,0]=2 972 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93516 [0,2,0,0,0,0|0,0,0]=2 973 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93952 [0,2,0,0,0,0|0,0,0]=2 974 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS22861 [0,2,0,0,0,0|0,0,0]=2 975 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS41076 [0,2,0,0,0,0|0,0,0]=2 976 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS46605 [0,2,0,0,0,0|0,0,0]=2 977 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS94619 [0,2,0,0,0,0|0,0,0]=2 978 B8R1.5 C1CC[C@H]([C@@H](C1)O)O TS32205 [0,2,0,0,0,0|0,0,0]=2 979 B8R1.5 C1CC[C@H]([C@H](C1)N)O TS29487 [0,2,0,0,0,0|0,0,0]=2 980 B8R1.5 C1CNCC(C1=O)Br TS60337 [0,2,0,0,0,0|1,0,1]=4 981 B8R1.5 C1CNCC(C1=O)F TS88150 [0,2,0,0,0,0|1,0,1]=4 982 B8R1.5 C1CNC[C@H]([C@@H]1F)F TS92380 [0,2,0,0,0,0|1,0,0]=3 983 B8R1.5 C1CNC[C@H]([C@@H]1F)O TS90614 [0,2,0,0,0,0|1,0,0]=3 984 B8R1.5 C1CNC[C@H]([C@@H]1O)F TS92239 [0,2,0,0,0,0|1,0,0]=3 985 B8R1.5 C1CNC[C@H]([C@H]1F)F TS92601 [0,2,0,0,0,0|1,0,0]=3 986 B8R1.5 C1CNC[C@H]([C@H]1O)F TS92722 [0,2,0,0,0,0|1,0,0]=3 987 B8R1.5 C1COC(C(O1)Cl)Cl TS10810 [0,2,0,0,0,0|2,0,0]=4 988 B8R1.5 C1COC(C(O1)O)O TS32409 [0,2,0,0,0,0|2,0,0]=4 989 B8R1.5 C1COCC(C1=O)Br TS87523 [0,2,0,0,0,0|1,0,1]=4 990 B8R1.5 C1COCC(C1=O)F TS90072 [0,2,0,0,0,0|1,0,1]=4 991 B8R1.5 C1COC[C@@H]([C@H]1O)N TS88734 [0,2,0,0,0,0|1,0,0]=3 992 B8R1.5 C1COC[C@H]([C@@H]1N)O TS89107 [0,2,0,0,0,0|1,0,0]=3 993 B8R1.5 C1COC[C@H]([C@@H]1O)N TS90817 [0,2,0,0,0,0|1,0,0]=3 994 B8R1.5 C1COC[C@H]([C@H]1N)O TS90200 [0,2,0,0,0,0|1,0,0]=3 995 B8R1.5 C1CO[C@H]([C@@H](O1)Cl)Cl TS10811 [0,2,0,0,0,0|2,0,0]=4 996 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,2,0,0,0,0|1,0,1]=4 997 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,2,0,0,0,0|1,0,1]=4 998 B8R1.5 C1[C@H]([C@@H](CSS1)O)O TS33123 [0,2,0,0,0,0|2,0,0]=4 999 B8R1.5 CC1=C(CCCC1)C TS31858 [0,2,0,0,0,0|0,0,2]=4 1000 B8R1.5 CC1CCCC=C1C TS31849 [0,2,0,0,0,0|0,0,2]=4 1001 B8R1.5 CC1CCCCC1=C TS31851 [0,2,0,0,0,0|0,0,1]=3 1002 B8R1.5 CC1CCCCC1=O TS01136 [0,2,0,0,0,0|0,0,1]=3 1003 B8R1.5 CC1CCCCC1C TS31973 [0,2,0,0,0,0|0,0,0]=2 1004 B8R1.5 CC1CCCCC1N TS32030 [0,2,0,0,0,0|0,0,0]=2 1005 B8R1.5 CC1CCCCC1O TS32109 [0,2,0,0,0,0|0,0,0]=2 1006 B8R1.5 CC1CCCNC1C TS22984 [0,2,0,0,0,0|1,0,0]=3 1007 B8R1.5 CC1CCNCC1=O TS92225 [0,2,0,0,0,0|1,0,1]=4 1008 B8R1.5 CC1CCNCC1O TS92278 [0,2,0,0,0,0|1,0,0]=3 1009 B8R1.5 CC1CNCCC1=O TS02832 [0,2,0,0,0,0|1,0,1]=4 1010 B8R1.5 CC1CNCCC1=O TS70671 [0,2,0,0,0,0|1,0,1]=4 1011 B8R1.5 CC1CNCCC1O TS03118 [0,2,0,0,0,0|1,0,0]=3 1012 B8R1.5 CC1CNCCN1C TS00350 [0,2,0,0,0,0|2,0,0]=4 1013 B8R1.5 CC1COCCC1=O TS89718 [0,2,0,0,0,0|1,0,1]=4 1014 B8R1.5 CN1CCCCC1=O TS04393 [0,2,0,0,0,0|1,0,1]=4 1015 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [0,2,0,0,0,0|0,0,0]=2 1016 B8R1.5 C[C@@H]1CCCC[C@H]1N TS04400 [0,2,0,0,0,0|0,0,0]=2 1017 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [0,2,0,0,0,0|0,0,0]=2 1018 B8R1.5 C[C@@H]1CCNC[C@@H]1O TS92055 [0,2,0,0,0,0|1,0,0]=3 1019 B8R1.5 C[C@@H]1CCNC[C@H]1O TS85847 [0,2,0,0,0,0|1,0,0]=3 1020 B8R1.5 C[C@@H]1CCNC[C@H]1O TS92197 [0,2,0,0,0,0|1,0,0]=3 1021 B8R1.5 C[C@@H]1COCC[C@@H]1N TS87953 [0,2,0,0,0,0|1,0,0]=3 1022 B8R1.5 C[C@@H]1COCC[C@H]1N TS90201 [0,2,0,0,0,0|1,0,0]=3 1023 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [0,2,0,0,0,0|0,0,0]=2 1024 B8R1.5 C[C@H]1CCNC[C@H]1O TS92848 [0,2,0,0,0,0|1,0,0]=3 1025 B8R1.72 C1CC(CNC1)(F)F TS16713 [0,2,0,0,0,0|1,0,0]=3 1026 B8R1.72 C1CCC(CC1)(F)F TS32422 [0,2,0,0,0,0|0,0,0]=2 1027 B8R1.72 C1CC[Si](CC1)(Cl)Cl TS44980 [0,2,0,0,0,0|0,1,0]=3 1028 B8R1.72 C1CNCCC1(F)F TS41835 [0,2,0,0,0,0|1,0,0]=3 1029 B8R1.72 C1CNCCC1(F)F TS90293 [0,2,0,0,0,0|1,0,0]=3 1030 B8R1.72 C1CS(=O)(=O)CCN1 TS01728 [0,2,0,0,0,0|2,0,0]=4 1031 B8R1.72 C1CS(=O)(=O)CCN1 TS46756 [0,2,0,0,0,0|2,0,0]=4 1032 B8R1.72 C1CS(=O)(=O)CCN1 TS87678 [0,2,0,0,0,0|2,0,0]=4 1033 B8R1.72 C1CS(=O)(=O)CCO1 TS36998 [0,2,0,0,0,0|2,0,0]=4 1034 B8R1.72 CC1(CCC=CC1)C TS04217 [0,2,0,0,0,0|0,0,2]=4 1035 B8R1.72 CC1(CCCCC1)O TS32093 [0,2,0,0,0,0|0,0,0]=2 1036 B8R1.72 CC1(CCCNC1)C TS04397 [0,2,0,0,0,0|1,0,0]=3 1037 B8R1.72 CC1(CCCNC1)C TS40807 [0,2,0,0,0,0|1,0,0]=3 1038 B8R1.72 CC1(CCCNC1)O TS91215 [0,2,0,0,0,0|1,0,0]=3 1039 B8R1.72 CC1(CCNCC1)C TS09562 [0,2,0,0,0,0|1,0,0]=3 1040 B8R1.72 CC1(CCNCC1)C TS86526 [0,2,0,0,0,0|1,0,0]=3 1041 B8R1.72 CC1(CCNCC1)O TS85719 [0,2,0,0,0,0|1,0,0]=3 1042 B8R1.72 CC1(CCNCC1)O TS91244 [0,2,0,0,0,0|1,0,0]=3 1043 B8R1.72 CC1(CCOCC1)N TS88636 [0,2,0,0,0,0|1,0,0]=3 1044 B8R1.72 CC1(CNCCN1)C TS47121 [0,2,0,0,0,0|2,0,0]=4 1045 B8R1.72 CC1(CNCCN1)C TS49030 [0,2,0,0,0,0|2,0,0]=4 1046 B8R1.72 CC1(COCOC1)C TS04592 [0,2,0,0,0,0|2,0,0]=4 1047 B8R1.72 C[N+]1(CCCCC1)C TS40805 [0,2,0,0,0,0|1,0,0]=3 1048 B8R1.72 C[Si]1(CCCCC1)C TS36373 [0,2,0,0,0,0|0,1,0]=3 1049 B8R1.72 C[Si]1(CCCCO1)C TS05625 [0,2,0,0,0,0|1,1,0]=4 1050 B6R1.3 C1C(O1)CCBr TS08876 [0,0,1,1,0,0|2,0,0]=4 1051 B6R1.3 C1CC1CC#N TS03449 [0,0,1,1,0,0|1,0,1]=4 1052 B6R1.3 C1CC1CCN TS85780 [0,0,1,1,0,0|1,0,0]=3 1053 B6R1.3 C1CC1CCO TS00981 [0,0,1,1,0,0|1,0,0]=3 1054 B6R1.3 C1CC1CNN TS90736 [0,0,1,1,0,0|2,0,0]=4 1055 B6R1.3 C1CN1CCN TS32539 [0,0,1,1,0,0|2,0,0]=4 1056 B6R1.3 C1[C@@H](O1)CCBr TS40969 [0,0,1,1,0,0|2,0,0]=4 1057 B6R1.3 C1[C@H](O1)CCBr TS40971 [0,0,1,1,0,0|2,0,0]=4 1058 B6R1.3 CCC[C@H]1CO1 TS71750 [0,0,1,1,0,0|1,0,0]=3 1059 B6R1.3 COC[C@@H]1CO1 TS03586 [0,0,1,1,0,0|2,0,0]=4 1060 B6R1.3 COC[C@H]1CO1 TS03578 [0,0,1,1,0,0|2,0,0]=4 1061 B6R1.3 CSCC1CO1 TS31681 [0,0,1,1,0,0|2,0,0]=4 1062 B6R1.4 CC1C(CN1)O TS92907 [0,0,1,1,0,0|2,0,0]=4 1063 B6R1.6 C1C(CN1)CO TS91597 [0,0,1,1,0,0|2,0,0]=4 1064 B6R1.6 C1C(CO1)CI TS85854 [0,0,1,1,0,0|2,0,0]=4 1065 B6R1.6 C1C(CO1)CN TS89704 [0,0,1,1,0,0|2,0,0]=4 1066 B6R1.6 C1C(CO1)CO TS90138 [0,0,1,1,0,0|2,0,0]=4 1067 B6R1.6 C1C(CS1)CN TS87824 [0,0,1,1,0,0|2,0,0]=4 1068 B6R1.6 C1CC(C1)C#N TS03443 [0,0,1,1,0,0|1,0,1]=4 1069 B6R1.6 C1CC(C1)C=O TS03489 [0,0,1,1,0,0|1,0,1]=4 1070 B6R1.6 C1CC(C1)CBr TS07532 [0,0,1,1,0,0|1,0,0]=3 1071 B6R1.6 C1CC(C1)CN TS89840 [0,0,1,1,0,0|1,0,0]=3 1072 B6R1.6 C1CC(C1)CO TS71752 [0,0,1,1,0,0|1,0,0]=3 1073 B6R1.6 C1CC(C1)NN TS01400 [0,0,1,1,0,0|2,0,0]=4 1074 B6R1.6 C1CC(C1)NN TS03544 [0,0,1,1,0,0|2,0,0]=4 1075 B6R1.6 C1CNC1CN TS01756 [0,0,1,1,0,0|2,0,0]=4 1076 B6R1.6 C1CNC1CO TS88277 [0,0,1,1,0,0|2,0,0]=4 1077 B6R1.6 C1CN[C@H]1CO TS86313 [0,0,1,1,0,0|2,0,0]=4 1078 B6R1.6 C1COC1CBr TS40968 [0,0,1,1,0,0|2,0,0]=4 1079 B6R1.6 C1COC1CI TS91254 [0,0,1,1,0,0|2,0,0]=4 1080 B6R1.6 C1COC1CN TS86216 [0,0,1,1,0,0|2,0,0]=4 1081 B6R1.6 C1COC1CO TS88229 [0,0,1,1,0,0|2,0,0]=4 1082 B6R1.6 CCC1CCC1 TS71715 [0,0,1,1,0,0|0,0,0]=2 1083 B6R1.6 CNC1CNC1 TS03543 [0,0,1,1,0,0|2,0,0]=4 1084 B6R1.6 CNC1COC1 TS89249 [0,0,1,1,0,0|2,0,0]=4 1085 B6R1.6 COC1CNC1 TS02818 [0,0,1,1,0,0|2,0,0]=4 1086 B6R1.6 COC1CSC1 TS31679 [0,0,1,1,0,0|2,0,0]=4 1087 B6R1.8 CC1CC1CO TS71767 [0,0,1,1,0,0|1,0,0]=3 1088 B6R1.8 CC[C@@H]1C[C@@H]1C TS71712 [0,0,1,1,0,0|0,0,0]=2 1089 B8R2.22 C1CC2C1CNC2 TS88667 [0,0,0,1,0,1|0,0,0]=2 1090 B8R2.25 C1CCC2C(C1)O2 TS34560 [0,0,0,1,0,1|0,0,0]=2 1091 B8R2.25 C1CCC2C(C1)S2 TS04498 [0,0,0,1,0,1|0,0,0]=2 1092 B8R2.25 C1CCC2CC2C1 TS03721 [0,0,0,1,0,1|0,0,0]=2 1093 B8R2.25 C1CNCC2C1C2 TS89727 [0,0,0,1,0,1|0,0,0]=2 1094 B8R2.11 C1[C@@H]2[C@@H]([C@H]2O)CN1 TS90177 [0,1,0,1,0,0|1,0,0]=3 1095 B8R2.18 C1C2C1CC(C2)N TS88361 [0,1,0,1,0,0|0,0,0]=2 1096 B8R2.23 C1C2CC1CNC2 TS91878 [0,1,0,1,0,0|1,0,0]=3 1097 B8R2.23 C1C2CNCC1O2 TS92433 [0,1,0,1,0,0|1,0,0]=3 1098 B8R2.34 C1C2CNC1CN2 TS12957 [0,1,0,1,0,0|2,0,0]=4 1099 B8R2.34 C1C2CNC1CO2 TS92201 [0,1,0,1,0,0|2,0,0]=4 1100 B8R2.34 C1CC2CC1C=C2 TS03681 [0,1,0,1,0,0|0,0,2]=4 1101 B8R2.34 C1CC2CC1CN2 TS31404 [0,1,0,1,0,0|1,0,0]=3 1102 B8R2.34 C1CC2CCC1N2 TS59525 [0,1,0,1,0,0|0,0,0]=2 1103 B8R2.34 C1CC2CCC1N2 TS87984 [0,1,0,1,0,0|0,0,0]=2 1104 B8R2.34 C1CC2CCC1O2 TS31431 [0,1,0,1,0,0|0,0,0]=2 1105 B8R2.34 C1[C@@H]2CN[C@H]1CO2 TS87907 [0,1,0,1,0,0|2,0,0]=4 1106 B8R2.34 C1[C@@H]2CN[C@H]1CO2 TS91801 [0,1,0,1,0,0|2,0,0]=4 1107 B8R2.34 C1[C@H]2CN[C@@H]1CO2 TS85934 [0,1,0,1,0,0|2,0,0]=4 1108 B8R2.34 C1[C@H]2CN[C@@H]1CO2 TS86231 [0,1,0,1,0,0|2,0,0]=4 1109 B4R1.1 C1CC=C1 TS65575 [0,0,0,0,2,0|0,0,2]=4 1110 B4R1.1 C1CCC1 TS02409 [0,0,0,0,2,0|0,0,0]=2 1111 B4R1.1 C1CNC1 TS55736 [0,0,0,0,2,0|1,0,0]=3 1112 B4R1.1 C1CNC1 TS55738 [0,0,0,0,2,0|1,0,0]=3 1113 B4R1.1 C1CNC1 TS91474 [0,0,0,0,2,0|1,0,0]=3 1114 B4R1.1 C1COC1 TS02415 [0,0,0,0,2,0|1,0,0]=3 1115 B4R1.1 C1CSC1 TS71618 [0,0,0,0,2,0|1,0,0]=3 1116 B8R1.49 C1CC=CCCC=C1 TS01896 [0,0,0,0,0,2|0,0,2]=4 1117 B8R1.49 C1CC=CCCC=C1 TS34179 [0,0,0,0,0,2|0,0,2]=4 1118 B8R1.49 C1CC=CCCC=C1 TS54864 [0,0,0,0,0,2|0,0,2]=4 1119 B8R1.49 C1CC=CCCC=C1 TS63838 [0,0,0,0,0,2|0,0,2]=4 1120 B8R1.49 C1CC=CCCC=C1 TS72200 [0,0,0,0,0,2|0,0,2]=4 1121 B8R1.49 C1CC=CCCC=C1 TS80341 [0,0,0,0,0,2|0,0,2]=4 1122 B8R1.49 C1CC=CCCC=C1 TS81264 [0,0,0,0,0,2|0,0,2]=4 1123 B8R1.49 C1CC=CCCC=C1 TS83164 [0,0,0,0,0,2|0,0,2]=4 1124 B8R1.49 C1CCCCCCC1 TS04358 [0,0,0,0,0,2|0,0,0]=2 1125 B8R1.49 C1CCCNCCC1 TS32033 [0,0,0,0,0,2|0,0,0]=2 1126 B8R1.49 C1COCOCCO1 TS04709 [0,0,0,0,0,2|1,0,0]=3