0 B6R0.1 C(=O)CC(C)OC T278319 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 C/C=C/[C@H](C)CC R289493 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 C/C=C\C(C)CC R289485 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 C=C(CO)CCO T293814 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 CC(CO)CCN CDS000171 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CC/C=C(\C)/CC R289574 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.1 CC/C=C(\C)/CC R289582 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.1 CC/C=C(\C)/CO S888702 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CCC(=O)COC CDS024044 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CCC(=O)OCS PH000959 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.1 CCC(C)CCN CBR00385 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.1 CCC(C)NC=O S620394 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.1 CCCC(C)NC PH018184 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CCCC(N)CC CBR01120 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.1 CCNC(C)CC CBR00870 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCSC(=O)CC CDS001498 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 CC[C@@H](N)CC#N CDS005516 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.1 CC[C@H](N)COC PH019017 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.1 CNC(C)CCO CBR02003 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.1 COCC(O)CCl S615455 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.1 COCC(O)CN CDS009718 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.1 C[C@@H](CO)CCN CDS000036 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.1 N/C(=N\O)/CCO CBR01465 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 C(=O)CC(C)O CDS019977 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 C(=O)NC(C)C S378380 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CC(Br)CC#N CDS003547 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CC(C)C=NO S388378 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CC(C)CCCl S564524 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 CC(O)CNN CBR01627 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 CN(C)CCBr PH011840 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CN(C)CCO S573124 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 CNCC(C)C CDS000422 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 COC[C@@H](C)N CDS023796 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 COC[C@H](C)N CDS001149 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 N=C(N)CCO PH014361 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 C#CCSCC R436380 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 C=CCNCC PH014544 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 C=CCSCC S620327 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 C=CSCCO PH007226 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 CCC/C=N/O S429139 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.2 CCCCSC S447420 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 CCCC[Hg]Cl S829617 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CCCNCC CDS000615 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 CCCOCC CDS000380 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 CCNNCC S814563 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 CCOCCN CDS000379 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 CCSCCO PH011451 [1,0,0,0,0,0|1,0,0]=2 48 B5R0.2 CNCCCBr PH013730 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.2 COCCSC S698245 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.2 CSCCC#N T160407 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 OC/C=C/CO PH000110 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.2 OCCC#CI T240249 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.3 C(=O)C(S)CO S612626 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 C/C(=C\Br)/CO S881295 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.3 C/C(=N\O)/CS R262161 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 CC(CN)CO CDS010871 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.3 CCC(=O)CO R277614 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.3 CCC(C)NN PH019109 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.3 CCC(N)CC TMT00064 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.3 CCC(O)CBr PH018186 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.3 CCC(O)CN CDS000624 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.3 CCN(O)CC S623067 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.3 CC[Tl](Br)CC S837075 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.3 CC[Tl](I)CC S837083 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.3 NC(CBr)CBr R150371 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.3 NCC(Br)CBr R151203 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.3 NCC(CN)N S741841 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.3 OC(CF)CBr CDS019708 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.2 CC(CCl)CN(C)C R276561 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.2 CC(CN)CN(C)C CBR00154 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,1,0,0,0,0|0,0,2]=3 73 B7R0.2 CCC(N)CC(=O)O CDS006113 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.2 CCC(O)CC(C)C S447455 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.2 CCC(O)CC(C)O PH001987 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,1,0,0,0,0|0,0,1]=2 77 B7R0.2 CNC(C)CC(=O)N CBR01535 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,1,0,0,0,0|0,0,1]=2 80 B7R0.3 C=C(CC)CCCC CDS000215 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.3 C=CCCC(O)CC PH011335 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.3 C=CCSC(C)CC S366307 [0,1,0,0,0,0|1,0,1]=3 83 B7R0.3 CC(CN)OCCO PH007420 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.3 CCCCC(N)CC CDS021471 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.3 CCCN[C@@H](C)CO PH014617 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.3 CCCN[C@H](C)CO PH014618 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.3 CCCSC(C)CC S570672 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.3 CCOCC(O)CCl S379220 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.3 CCSCC(O)CO R161446 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.3 CCSCC(O)CO S327050 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.3 CCSCS(=O)CC S697834 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.3 CNC(=O)OCCO S392650 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.3 NCC(Cl)CCCCl PH010492 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.5 C=C(CCC)C(C)C R289221 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.5 CC(=O)N(C)CCN PH019599 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.5 CC(=O)N(C)CCO CBR01454 [0,1,0,0,0,0|1,0,1]=3 98 B7R0.5 CC(C)C(N)CCO BBO000682 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.5 CC(CCN)N(C)C CBR00152 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.5 CC(CCO)N(C)C CBR00155 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.5 CC/C=C(\C)/C(C)C R289558 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.5 CCCC(=C(C)C)C R289469 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.5 CCCC(C)C(C)O S433373 [0,1,0,0,0,0|1,0,0]=2 104 B7R0.7 C/C=C/C(O)CCC S417386 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.7 C=CCC(O)CCC S350389 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.7 CCCC(C)CC#N PH002982 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.7 CCCC(Cl)CCC S563323 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.7 CCCC(S)CCO CDS001520 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.7 CCCS(=O)CCC S440973 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.7 CCOC(=O)CCI T255378 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.7 CCOC(C)CCO S322008 [0,1,0,0,0,0|0,0,0]=1 112 B7R0.7 CCOC(C)CNC CBR01487 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.7 CSCC(O)CSC R227919 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.10 BrCC(Br)C(Br)CBr S418560 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.10 C=C[C@@H](O)[C@@H](O)CO T269530 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.10 CCC(=O)C(O)CC CDS000463 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.10 CCC(C)/C(=N/O)/N CBR01424 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.10 CCN(C)C(C)CO CBR01495 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.10 ClCC(Br)C(Br)CCl S360171 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.11 C=CC(C)(O)CCC S504823 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.11 C=CCC(C)(C)CO T273422 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.11 C=CCC(C)(O)CC S411957 [0,1,0,0,0,0|1,0,1]=3 124 B7R0.11 CCCC(C)(C)CC R289418 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.11 CCCC(C)(O)CC S426865 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.11 CCC[N+](C)(C)CC S765708 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.11 CCS(=O)(=O)CCCl CDS011744 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.11 CCS(=O)(=O)CCN CBR00923 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.11 CCS(=O)(=O)CCO PH010969 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.11 CNCC(C)(C)CO CBR00150 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.11 COC(C)(C)CCN CBR01630 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.11 COCC(C)(C)CN CBR00889 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.12 CCC(CC)N=C=O CDS019809 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.12 CCC(COC)NN PH019431 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.12 CCN(CC)COC S433551 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.12 CCN[C@H](CC)CO PH018891 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.12 CCOC(CC)CN CBR01063 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.12 NCCN(CC)CC S727369 [0,1,0,0,0,0|2,0,0]=3 139 B7R1.1 BrCC1CCCC1 CDS005521 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.1 BrCC1CCCO1 CDS001200 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.1 CC=C1CCCC1 S431559 [0,0,0,1,0,0|1,0,2]=4 142 B7R1.1 CCC1C=CCC1 S416223 [0,0,0,1,0,0|1,0,1]=3 143 B7R1.1 CNC1CCCC1 CDS004583 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.1 CN[C@@H]1CCNC1 CDS000051 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.1 CN[C@H]1CCNC1 CDS000053 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.1 COC1C=CCC1 S702501 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 COC1CCNC1 CDS009205 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.1 ClCC1CCOC1 CDS022549 [0,0,0,1,0,0|1,0,0]=2 149 B7R1.1 NCC1CCCC1 SYX00193 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.1 NCC1CCNC1 CDS009628 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.1 OCC1CCCN1 CDS000339 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.2 CC1CCC(N1)C S652032 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.2 CC1COC(=O)C1 PH007953 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.2 O=C1CC(CO1)O S672874 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.2 OC1C=CC(C1)O S779164 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.2 OC1CCC(O1)O S806188 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.3 BrC1CCSCC1 CBR02203 [0,0,0,1,0,0|1,1,0]=3 160 B7R1.3 CC1=CCNCC1 CBR01822 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.3 CC1CNCCO1 CDS022716 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.3 CC1NCCCS1 T149675 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.3 NC1CCCCC1 S512877 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 NC1CCCCC1 S669822 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.3 NC1CCCCC1 S926507 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.3 NC1CCCOC1 CDS009128 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.3 NC1CCOCC1 CDS006264 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.3 O=S1CCNCC1 CDS019871 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.3 OC1CCCSC1 S461172 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.3 SC1CCNCC1 PHB00269 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.3 SC1CCOCC1 CDS023754 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.4 CC1=CCCC1O T295310 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.4 CC1CCCC1C R289701 [0,0,0,1,0,0|1,0,0]=2 174 B7R1.4 CC1CCCC1O CDS001174 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.4 CC1OCOC1C T332674 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.4 NC1CCOC1=O CDS012715 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.5 CC1CC1CNN PH019040 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.6 NCCC1CCC1 CBR02277 [0,0,0,1,0,0|1,0,0]=2 179 B7R1.6 NNCC1CCC1 PH019044 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.6 O=C=NC1CCC1 CDS019187 [0,0,0,1,0,0|1,0,2]=4 181 B7R1.15 CC1NC(=O)C1C T173835 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.15 CC1NC(=O)C1C T173843 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.21 CCCC1(CC1)N CBR00865 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.22 BrCC(Br)C1CO1 PH008007 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.22 CCC(=O)C1CC1 CDS023679 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.22 CCC(N)C1CC1 CBR01739 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.22 ClCC(Cl)C1CO1 PH008008 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.22 [C-]#[N+]C(C)C1CC1 PH016020 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.25 CC1(COC1)CBr CDS007824 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.25 CC1(COC1)CN CDS019169 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.25 CC1(CSC1)CO SYX00240 [0,0,0,1,0,0|3,0,0]=4 192 B4R0.1 CC(C)NN CDS002505 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.1 CC(C)NN CDS002842 [2,0,0,0,0,0|2,0,0]=4 194 B4R0.1 CCB(O)O CDS003542 [2,0,0,0,0,0|2,0,0]=4 195 B4R0.2 CCCC[NH3+] S342920 [2,0,0,0,0,0|1,0,0]=3 196 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|1,0,0]=3 197 B4R0.2 NCCCF CDS007794 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.2 OCCCF CDS002969 [2,0,0,0,0,0|1,0,0]=3 199 B4R0.2 OCNCCl R464872 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.2 SCCCN OTV000791 [2,0,0,0,0,0|1,1,0]=4 201 B6R0.2 C=C(C)CC(C)C R289256 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.2 CC(C)CC(=O)[O-] S693154 [1,1,0,0,0,0|0,0,2]=4 203 B6R0.2 CC(Cl)CC(=O)O S419621 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.3 C#CC(O)C(C)C CDS001233 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.3 C=CC(C)C(C)C R289299 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.3 C=CC(O)C(C)C S442062 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.3 CC(C)/C(=N\O)/N MNO000140 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.3 CC(N)C(C)CO PH007413 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.3 CC(O)C(C)CO S309524 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.3 CN(C)C(=O)CO CDS023758 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.3 CNC(C)C(C)C CBR00876 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.3 C[C@@H](CO)N(C)C T260711 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.4 C=CCCC(C)C R289442 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.4 C=CCNC(C)C CBR02371 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.4 CC(C)CN=C=S CDS001467 [1,1,0,0,0,0|0,1,1]=4 216 B6R0.4 CC(C)OCCN CDS000373 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.4 CCCSC(C)C S570702 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.4 CSCCC(C)C S351520 [1,1,0,0,0,0|0,1,0]=3 220 B6R0.4 [C-]#[N+]CCC(C)C CDS008921 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.5 C=CCC(C)(C)O S437506 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.5 CC(C)(C)/C=N/O PH009800 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.5 CC(C)(C)CC#N PH014763 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.5 CC(C)(C)CCCl S416630 [1,1,0,0,0,0|1,0,0]=3 225 B6R0.5 CC(C)(Cl)CCCl S434116 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.5 CC(C)(F)CCO PH018175 [1,1,0,0,0,0|0,0,0]=2 227 B6R0.5 CC(C)(O)CCCl CDS019086 [1,1,0,0,0,0|1,0,0]=3 228 B6R0.5 CC(C)(O)CCN CDS019270 [1,1,0,0,0,0|1,0,0]=3 229 B6R0.5 CCNC(C)(C)C CDS000392 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.5 CNCC(C)(C)C CBR00855 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.5 CNCC(C)(C)C CDS011416 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.5 COCC(C)(C)N CBR00858 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.5 OCCC(F)(F)F CDS014243 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.6 C=C=CCCCO CVT00100 [1,1,0,0,0,0|0,0,2]=4 235 B6R0.6 C=CCSCCC S357391 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.6 CCCCCSC S357952 [1,1,0,0,0,0|0,1,0]=3 237 B6R0.6 CCCCNC=O S550981 [1,1,0,0,0,0|0,0,2]=4 238 B6R0.6 CCCCSC#N S449814 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.6 CCCNCCC R580155 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.6 CCCOCC#N PH011429 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.6 CCCSCCO S408859 [1,1,0,0,0,0|0,0,0]=2 242 B6R0.6 CCOCC[Hg]Cl S564443 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.6 CCSCCCO PH017932 [1,1,0,0,0,0|0,0,0]=2 244 B6R0.6 COCCCC=O CDS022820 [1,1,0,0,0,0|0,0,2]=4 245 B6R0.6 FCCCCCBr CBR02103 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.6 NCCOCCN CDS000024 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.6 NCCSCCO S449539 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.6 [C-]#[N+]CCCOC PH015420 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.8 C(=O)C(C)(C)CO R425931 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.8 C=CC(C)(C)CC R289280 [1,1,0,0,0,0|0,0,2]=4 251 B6R0.8 CC(Cl)(CCl)CCl S392057 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.8 CC[Pb](Br)(Br)CC S813206 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.8 CC[Pb](Cl)(Cl)CC S798401 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.8 [NH2+](C)C(C)(C)CO R258164 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.9 CCC(CC)CN CDS014133 [1,1,0,0,0,0|0,0,0]=2 256 B6R0.9 CCC(CC)NC CBR01265 [1,1,0,0,0,0|0,0,0]=2 257 B6R0.9 CCC(CN)OC CBR00912 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.9 CCC(CN)OC CDS002072 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.9 CCN(CC)CC R156221 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.9 COC(CO)OC T281328 [1,1,0,0,0,0|1,0,0]=3 261 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,2,0,0,0,0|0,0,2]=4 262 B8R0.2 CCC(C)C(=O)C(C)C S431117 [0,2,0,0,0,0|1,0,1]=4 263 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [0,2,0,0,0,0|0,0,1]=3 264 B8R0.2 CCC(C)C(C)C(C)O S416983 [0,2,0,0,0,0|0,0,0]=2 265 B8R0.2 CCC(C)C(O)C(C)C S408050 [0,2,0,0,0,0|1,0,0]=3 266 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [0,2,0,0,0,0|0,0,1]=3 267 B8R0.2 CC[C@@H](C)[C@H](O)[C@@H](C)O T259209 [0,2,0,0,0,0|0,0,0]=2 268 B8R0.5 C(=C/[C@H](O)C[C@H](C)O)\C T262730 [0,2,0,0,0,0|1,0,1]=4 269 B8R0.5 CCCC(N)CC(=O)O BBO000362 [0,2,0,0,0,0|1,0,1]=4 270 B8R0.16 CCC(CO)NC(C)C PH010632 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.16 CCN(CC)CC(=O)O PH011958 [0,2,0,0,0,0|1,0,1]=4 272 B8R0.19 CCC(C)CC(O)CC S430854 [0,2,0,0,0,0|0,0,0]=2 273 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,2,0,0,0,0|1,0,1]=4 274 B8R0.19 CC[C@H](C)C[C@H](C)CO T297186 [0,2,0,0,0,0|0,0,0]=2 275 B8R0.19 C[C@H](CO)C[C@@H](C)CO T297240 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.23 CC(=O)C(C)CC(=O)O CDS000200 [0,2,0,0,0,0|0,0,2]=4 277 B8R0.23 CC(C)CC(O)C(C)C S437425 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [0,2,0,0,0,0|1,0,1]=4 279 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.23 CC(CC(=O)O)N(C)C CBR00883 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.23 CC(O)CC(O)C(C)C PH010921 [0,2,0,0,0,0|1,0,0]=3 282 B8R0.24 CC(CO)CC(F)(F)F CDS020740 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.24 CC(CS)CC(C)(C)C S663433 [0,2,0,0,0,0|2,0,0]=4 284 B8R0.34 C=C(C)CC(C)(O)CC S433195 [0,2,0,0,0,0|1,0,1]=4 285 B8R0.34 CC(C)CC(C)(C)CO S444049 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [0,2,0,0,0,0|0,0,1]=3 287 B8R0.34 CCC(C)(O)CC(C)C S411906 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.34 CNC(C)(C)CC(C)O PH007127 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.1 CCCC(O)CCCO S838322 [0,2,0,0,0,0|1,0,0]=3 290 B8R0.1 CCCCN(C)CCN PH014575 [0,2,0,0,0,0|2,0,0]=4 291 B8R0.1 CCCCN(C)CCO PH017931 [0,2,0,0,0,0|1,0,0]=3 292 B8R0.1 CCOC(=O)CCOC CDS025273 [0,2,0,0,0,0|1,0,1]=4 293 B8R0.1 CCOC(=O)NCCO S391980 [0,2,0,0,0,0|1,0,1]=4 294 B8R0.3 CCCC(=O)C(Br)CC PH011136 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.3 CCCC(O)C(C)CC S412430 [0,2,0,0,0,0|1,0,0]=3 297 B8R0.3 CCN(C)C(C)CCN CBR01373 [0,2,0,0,0,0|1,0,0]=3 298 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [0,2,0,0,0,0|1,0,1]=4 299 B8R0.6 CCC(C)CNCCO S393967 [0,2,0,0,0,0|0,0,0]=2 300 B8R0.6 CCCCSC(C)CC S570613 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.6 CCOCCC(O)CC S347981 [0,2,0,0,0,0|1,0,0]=3 302 B8R0.8 CCCCC(C)C(C)O S374199 [0,2,0,0,0,0|1,0,0]=3 303 B8R0.8 COCCC(=O)C(C)C CDS024032 [0,2,0,0,0,0|1,0,1]=4 304 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,2,0,0,0,0|1,0,1]=4 305 B8R0.9 CCC(O)CCC(C)C CDS000278 [0,2,0,0,0,0|2,0,0]=4 306 B8R0.11 CCCCC(CC)CCl S431516 [0,2,0,0,0,0|1,0,0]=3 307 B8R0.11 CCCCC(CC)CN CDS000347 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.11 CCN(CC)CCNN PH009937 [0,2,0,0,0,0|2,0,0]=4 309 B8R0.11 COC(CCCCl)OC PH000494 [0,2,0,0,0,0|2,0,0]=4 310 B8R0.11 COC(CCCN)OC PH000174 [0,2,0,0,0,0|2,0,0]=4 311 B8R0.25 CC(C)(CN)NCCO R397776 [0,2,0,0,0,0|1,0,0]=3 312 B8R0.25 CCCCC(C)(O)CC S433217 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.12 CCCC(C)(C)C(=O)C PH011400 [0,2,0,0,0,0|1,0,1]=4 314 B8R0.12 CCCC(C)(O)C(=O)C PH007070 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.12 CCCC(C)(O)C(C)C R436097 [0,2,0,0,0,0|1,0,0]=3 316 B8R0.14 CCCC(C)C(C)(C)O S433187 [0,2,0,0,0,0|1,0,0]=3 317 B8R0.14 CCCC(O)C(C)(C)C S431532 [0,2,0,0,0,0|2,0,0]=4 318 B8R0.15 CC(=C(CO)CCO)C T239984 [0,2,0,0,0,0|0,0,2]=4 319 B8R0.15 CC(C)N(C=O)CCO PH000615 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.15 CCN(CCO)C(=O)C PH010390 [0,2,0,0,0,0|1,0,0]=3 321 B8R0.22 C(=O)N(CCO)CCO S617296 [0,2,0,0,0,0|1,0,1]=4 322 B8R0.22 CCCC(C=O)CCC PH014413 [0,2,0,0,0,0|1,0,1]=4 323 B8R0.22 CCOC(CO)OCC PH009980 [0,2,0,0,0,0|2,0,0]=4 324 B8R0.22 COC(CSC)CSC S612383 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.30 C=CCC(C)(O)CCC S417416 [0,2,0,0,0,0|1,0,1]=4 326 B8R0.30 CC(C)(CCO)CCO PH007871 [0,2,0,0,0,0|0,0,0]=2 327 B8R0.30 CCCC(C)(O)CCC S431621 [0,2,0,0,0,0|1,0,0]=3 328 B8R0.30 O=S(=O)(CCO)CCO S222836 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.13 CCC(C)C(C)(C)CO PH007256 [0,2,0,0,0,0|0,0,0]=2 330 B8R0.13 CCC(C)C(C)(O)CC S411892 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.20 CCC(O)C(CC)CC S442526 [0,2,0,0,0,0|1,0,0]=3 332 B8R0.31 C=CCC(O)(CC)CC S417378 [0,2,0,0,0,0|1,0,1]=4 333 B6R1.2 CC1CCNC1 CDS003772 [1,0,0,1,0,0|1,0,0]=3 334 B6R1.2 C[C@@H]1CCNC1 CDS006861 [1,0,0,1,0,0|1,0,0]=3 335 B6R1.2 C[C@H]1CCNC1 CDS009158 [1,0,0,1,0,0|1,0,0]=3 336 B6R1.2 OC1CNOC1 CBR01544 [1,0,0,1,0,0|2,0,0]=4 337 B6R1.2 O[C@H]1CCNC1 CDS003495 [1,0,0,1,0,0|2,0,0]=4 338 B6R1.3 CNCC1CC1 CBR00064 [1,0,0,1,0,0|2,0,0]=4 339 B6R1.3 NCCC1CC1 CDS004252 [1,0,0,1,0,0|1,0,0]=3 340 B6R1.5 CN1CC(C1)N CDS007511 [1,0,0,1,0,0|2,0,0]=4 341 B6R1.5 NC1CC(C1)O CDS022886 [1,0,0,1,0,0|1,0,0]=3 342 B6R1.8 CC1OC1CO PH008155 [1,0,0,1,0,0|1,0,0]=3 343 B6R1.8 CCC1CC1N CDS012189 [1,0,0,1,0,0|2,0,0]=4 344 B6R1.9 CC1CC1(C)C R289639 [1,0,0,1,0,0|1,0,0]=3 345 B6R1.11 CC(C)C1CC1 R289612 [1,0,0,1,0,0|1,0,0]=3 346 B6R1.11 CC(N)C1CC1 CDS018130 [1,0,0,1,0,0|2,0,0]=4 347 B6R1.11 C[C@@H](N)C1CC1 CDS000831 [1,0,0,1,0,0|2,0,0]=4 348 B6R1.1 C1COCCN1 S503576 [1,0,0,1,0,0|1,0,0]=3 349 B6R1.1 C1COCCN1 S579327 [1,0,0,1,0,0|1,0,0]=3 350 B6R1.1 C1COCCN1 S683396 [1,0,0,1,0,0|1,0,0]=3 351 B6R1.4 CC1CCC1=O CDS021461 [1,0,0,1,0,0|0,0,2]=4 352 B6R1.6 BrCC1COC1 CDS024465 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.6 ICC1COC1 CDS024395 [1,0,0,1,0,0|2,0,0]=4 354 B6R1.6 N#CC1CCC1 CDS014291 [1,0,0,1,0,0|1,0,1]=4 355 B6R1.6 NCC1CCC1 CDS009558 [1,0,0,1,0,0|1,0,0]=3 356 B6R1.7 NCC1(CC1)O CDS009576 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.1 CCC1CCC(C1)C R289752 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.1 CCC1CNC(=O)C1 CBR00057 [0,1,0,1,0,0|0,0,2]=4 359 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,1,0,1,0,0|1,0,1]=4 360 B8R1.1 CCN1CCC(C1)N CBR01844 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.1 CN1CCC(C1)CBr CBR01706 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.1 CN1CCC(C1)CCl CBR01971 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.1 CN1CCC(C1)NN PH019450 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.1 CNC1CCN(C1)C CDS000172 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.4 CC1CC(CCN1)O CDS008819 [0,1,0,1,0,0|0,0,0]=2 366 B8R1.4 CC1CCCC(C1)N CDS007614 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.4 CC1CCCC(C1)S CDS023316 [0,1,0,1,0,0|0,1,0]=3 368 B8R1.4 CC1CCOC(O1)C S346918 [0,1,0,1,0,0|0,0,0]=2 369 B8R1.4 CC1CCOS(=O)O1 S359173 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.4 CC1COCC(N1)C CDS019404 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.4 CC1CSCC(O1)C S347396 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.4 CN1CCCC(C1)N CDS007772 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.4 N1C(CCCC1C)C S379425 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.4 N1C(CCCC1C)C S379727 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.18 CC1=NC(OC1C)C CDS001470 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,1,0,1,0,0|0,0,1]=3 379 B8R1.34 O=C(O)CC1CNC1 PHB00031 [0,1,0,1,0,0|1,0,1]=4 380 B8R1.42 CC(C)CC1(CC1)N CBR00866 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [0,1,0,1,0,0|1,0,1]=4 382 B8R1.51 CC1CCC(N1)(C)C CBR01640 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.51 CC1CNC(C1)(C)C CBR01529 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.53 FC1(CC(C1)CBr)F MNO000143 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.53 OCC1CC(C1)(F)F SYX00114 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.2 BrCC1CCOCC1 CDS013754 [0,1,0,1,0,0|0,0,0]=2 387 B8R1.2 C#CC1CCOCC1 CDS024231 [0,1,0,1,0,0|0,0,1]=3 388 B8R1.2 CCC1=NOCCO1 PH016313 [0,1,0,1,0,0|1,0,1]=4 389 B8R1.2 CCC1CNCCN1 CBR00969 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.2 CCC1CNCCO1 CDS009046 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.2 CCC1NCCCS1 T149683 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.2 CNC1CCOCC1 CDS001741 [0,1,0,1,0,0|0,0,0]=2 393 B8R1.2 COC1CC=CCC1 PH007914 [0,1,0,1,0,0|1,0,1]=4 394 B8R1.2 COC1CCCNC1 CDS007978 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.2 NCC1CCCCO1 CDS006458 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.2 NCC1CCCCO1 CDS006719 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.2 NCC1CCCNC1 CDS013586 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.2 NCC1CCOCC1 CDS003651 [0,1,0,1,0,0|0,0,0]=2 399 B8R1.2 NNC1CCCCC1 S859435 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.2 O=CC1CCNCC1 CDS013816 [0,1,0,1,0,0|1,0,1]=4 401 B8R1.2 O=CC1CCOCC1 CDS020197 [0,1,0,1,0,0|0,0,1]=3 402 B8R1.2 O=CC1CCSCC1 CDS020250 [0,1,0,1,0,0|0,1,1]=4 403 B8R1.2 OCC1CCCOC1 CDS015486 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.2 SCC1CCCCC1 CDS020661 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.2 SCN1CCCCC1 S302953 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.2 SCN1CCOCC1 S276588 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.2 [C-]#[N+]C1CCOCC1 PH015905 [0,1,0,1,0,0|0,0,1]=3 408 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.3 CC1CCC(CC1)Br CDS001451 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.3 CC1CCC(CC1)N T138053 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.3 CN1CCC(CC1)Cl CDS003957 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.3 CN1CCC(CC1)N CDS000065 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.3 ClC1CCC(CC1)Cl PH011417 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,1,0,1,0,0|1,0,1]=4 416 B8R1.3 N[C@H]1CC[C@@H](CC1)O CDS003274 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.3 N[C@H]1CC[C@H](CC1)O CDS019704 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.3 O=C1CCC(CC1)O T292184 [0,1,0,1,0,0|1,0,1]=4 419 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.5 CC1CC=CCC1C T152838 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.5 FC1CCCCC1Br CDS002897 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.5 O=C1CCOCC1F SYX00096 [0,1,0,1,0,0|1,0,1]=4 426 B8R1.5 OC1CCCCC1Br PH007482 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.5 O[C@@H]1CNCC[C@H]1F OMC00066 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.22 CC1CCCCCO1 T168866 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.22 OC1CCCCCO1 S866032 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.50 CC1CCC(C1O)O S352810 [0,1,0,1,0,0|0,0,0]=2 431 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [0,1,0,1,0,0|0,0,0]=2 432 B8R1.52 CC1(CCCO1)C#N CBR00119 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.52 CC1(OCCO1)CBr T279145 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.52 CC1(OCCO1)CCl PH008256 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.52 CC1(OCCO1)CN CDS023337 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.52 C[C@]1(CCCN1)CO CDS021337 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.7 CC(C)C1CCCC1 R289671 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.7 FC(F)C1CCNC1 PH019600 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.19 CC1(CCOC1O)C T274453 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.19 CN1CCOC1(C)C T152765 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.8 CCCC1C=CCC1 R289795 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.8 CCCC1OCCO1 S364665 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.8 CCNC1CCCC1 CBR00868 [0,1,0,1,0,0|1,0,0]=3 445 B8R1.8 CCOC1CCNC1 CDS023169 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.8 CNCC1CCOC1 CBR01975 [0,1,0,1,0,0|0,0,0]=2 447 B8R1.8 ClCCN1CCCC1 CDS008148 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.8 NCCC1CCCC1 CDS008185 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.8 NCCC1CCCC1 T175072 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.8 OCCN1CCOC1 PH015317 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.8 [C-]#[N+]CC1CCCO1 PH015408 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.11 CCC1CCNC1=O CBR01663 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.11 CN1CCCC1CCl CBR02411 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.11 CN1CCCC1CN CBR00699 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.11 CN1CCCC1CO CDS011078 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.11 CN[C@H]1COC[C@@H]1O CBR00924 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.11 CO[C@H]1CNC[C@@H]1O CBR02395 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.11 CO[C@H]1CNC[C@@H]1O PHB00243 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.66 CNCC1(COC1)C CDS022812 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.12 OCC1CCC1CO T182095 [0,1,0,1,0,0|0,0,0]=2 462 B8R1.12 [C@@H]1(CC[C@H]1CO)CO T181404 [0,1,0,1,0,0|0,0,0]=2 463 B8R1.28 CC(C)(CO)[C@H]1CO1 T265160 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.28 CCC(C)(O)C1CC1 S34631 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.72 CC1(CC=CCC1)O T180912 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.72 CC1(CCCCN1)C PH019129 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.72 CC1(CCNCC1)C CDS012487 [0,1,0,1,0,0|1,0,0]=3 468 B8R1.72 CC1(CCNCC1)F OMC00032 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.72 C[N+]1(CCCCC1)C S347310 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.72 C[Si]1(CCCCC1)C S584983 [0,1,0,1,0,0|1,1,0]=4 471 B8R1.82 CNC1(CC1)COC CBR00893 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.82 COCC1(CC1)CN CBR01061 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.60 CCC1(CCC1)CN CBR00151 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.60 OCC1(CCC1)CO SYX00226 [0,1,0,1,0,0|2,0,0]=4 475 B8R2.34 [C@H]12CC[C@H](C1)NC2 CDS019247 [0,0,0,2,0,0|1,0,0]=3 476 B8R2.38 [C@@H]12CCC([C@@H]1C2)O T227315 [0,0,0,2,0,0|0,0,0]=2 477 B8R2.25 C1=CC[C@H]2C[C@H]2C1 T187259 [0,0,0,2,0,0|1,0,1]=4 478 B8R2.41 NC1(CC1)C2CC2 CDS021399 [0,0,0,2,0,0|2,0,0]=4