0 B6R1.2 CC1CCNC1 CDS003772 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 CC1NCCS1 CDS001533 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 CC1SCCS1 CDS001515 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 C[C@@H]1CCNC1 CDS006861 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 C[C@H]1CCNC1 CDS009158 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 Cl[Sb]1SCCS1 S741698 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,0,0,0|0,1,3]=4 7 B6R1.2 O=C1NCCS1 CDS011623 [0,0,0,0,0,0|2,1,1]=4 8 B6R1.2 OC1CCCO1 CDS007077 [0,0,0,0,0,0|1,1,0]=2 9 B6R1.2 OC1CNOC1 CBR01544 [0,0,0,0,0,0|2,1,0]=3 10 B6R1.2 O[C@H]1CCNC1 CDS003495 [0,0,0,0,0,0|1,1,0]=2 11 B6R1.2 P1(=O)OCCO1 S428957 [0,0,0,0,0,0|3,1,0]=4 12 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,0,0,0|1,0,2]=4 13 B5R1.1 C1=NNCC1 CDS000117 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 BrCC1CCCC1 CDS005521 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.1 BrCC1CCCO1 CDS001200 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.1 CC=C1CCCC1 S431559 [0,1,0,0,0,0|1,0,1]=3 17 B7R1.1 CCC1C=CCC1 S416223 [0,1,0,0,0,0|1,0,2]=4 18 B7R1.1 CNC1CCCC1 CDS004583 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.1 CN[C@@H]1CCNC1 CDS000051 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.1 CN[C@H]1CCNC1 CDS000053 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.1 COC1=NCCC1 PH000359 [0,1,0,0,0,0|1,1,1]=4 22 B7R1.1 COC1C=CCC1 S702501 [0,1,0,0,0,0|0,1,2]=4 23 B7R1.1 COC1CCNC1 CDS009205 [0,1,0,0,0,0|1,1,0]=3 24 B7R1.1 ClCC1CCOC1 CDS022549 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.1 NCC1CCCC1 SYX00193 [0,1,0,0,0,0|1,0,0]=2 26 B7R1.1 NCC1CCNC1 CDS009628 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.1 O=CC1CCCO1 CDS005466 [0,1,0,0,0,0|1,1,0]=3 28 B7R1.1 OCC1CCCN1 CDS000339 [0,1,0,0,0,0|1,1,0]=3 29 B7R1.2 CC1CCC(N1)C S652032 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.2 CC1COC(=O)C1 PH007953 [0,1,0,0,0,0|1,1,1]=4 31 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.2 O=C1CC(CO1)O S672874 [0,1,0,0,0,0|1,1,1]=4 33 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,1,0,0,0,0|1,1,1]=4 34 B7R1.2 OC1C=CC(C1)O S779164 [0,1,0,0,0,0|0,1,2]=4 35 B7R1.2 OC1CCC(O1)O S806188 [0,1,0,0,0,0|1,1,0]=3 36 B7R1.4 CC1=C(CCC1)Br T256854 [0,1,0,0,0,0|1,0,2]=4 37 B7R1.4 CC1=CCCC1O T295310 [0,1,0,0,0,0|0,1,2]=4 38 B7R1.4 CC1CCCC1C R289701 [0,1,0,0,0,0|1,0,0]=2 39 B7R1.4 CC1CCCC1O CDS001174 [0,1,0,0,0,0|0,1,0]=2 40 B7R1.4 CC1OCOC1C T332674 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.4 NC1CCOC1=O CDS012715 [0,1,0,0,0,0|1,1,1]=4 42 B7R1.4 NC1CCSC1=O S784036 [0,1,0,0,0,0|1,1,1]=4 43 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,1,0,0,0,0|1,1,1]=4 44 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [0,1,0,0,0,0|1,1,0]=3 45 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [0,1,0,0,0,0|1,1,0]=3 46 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,1,0,0,0,0|1,1,1]=4 47 B7R1.4 OC1C=CCC1O PH007055 [0,1,0,0,0,0|0,1,2]=4 48 B7R1.4 O[C@@H]1CCC=C1Br T262943 [0,1,0,0,0,0|0,1,2]=4 49 B7R1.4 O[C@H]1CNC[C@@H]1O CDS018735 [0,1,0,0,0,0|1,1,0]=3 50 B7R1.14 Br[Se]1(CCCC1)Br S101559 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.14 CC1(CCCN1)C CDS009329 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.14 CC1(COCN1)C S942308 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.14 CC1(NCCS1)C CDS000182 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.14 FC1(CCNC1)F CDS016868 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.14 O=S1(=O)CCNC1 CDS008503 [0,1,0,0,0,0|2,1,0]=4 56 B5R0.1 C(=O)CC(C)O CDS019977 [0,0,1,0,0,0|1,1,1]=4 57 B5R0.1 C=C(C)CSC S866024 [0,0,1,0,0,0|2,0,1]=4 58 B5R0.1 CC(=O)CCN OTV000740 [0,0,1,0,0,0|1,1,1]=4 59 B5R0.1 CC(Br)CC#N CDS003547 [0,0,1,0,0,0|2,0,1]=4 60 B5R0.1 CC(C)CCCl S564524 [0,0,1,0,0,0|2,0,0]=3 61 B5R0.1 CC(O)CNN CBR01627 [0,0,1,0,0,0|2,1,0]=4 62 B5R0.1 CN(C)CCBr PH011840 [0,0,1,0,0,0|3,0,0]=4 63 B5R0.1 CN(C)CCO S573124 [0,0,1,0,0,0|3,0,0]=4 64 B5R0.1 CNCC(=O)C CBR02406 [0,0,1,0,0,0|1,1,1]=4 65 B5R0.1 CNCC(C)C CDS000422 [0,0,1,0,0,0|2,0,0]=3 66 B5R0.1 COC[C@@H](C)N CDS023796 [0,0,1,0,0,0|2,0,0]=3 67 B5R0.1 COC[C@H](C)N CDS001149 [0,0,1,0,0,0|2,0,0]=3 68 B5R0.2 C#CCSCC R436380 [0,0,1,0,0,0|2,0,1]=4 69 B5R0.2 C=CCNCC PH014544 [0,0,1,0,0,0|2,0,1]=4 70 B5R0.2 C=CCSCC S620327 [0,0,1,0,0,0|2,0,1]=4 71 B5R0.2 CCC/C=N/O S429139 [0,0,1,0,0,0|1,1,1]=4 72 B5R0.2 CCCCSC S447420 [0,0,1,0,0,0|2,0,0]=3 73 B5R0.2 CCCC[Hg]Cl S829617 [0,0,1,0,0,0|2,0,0]=3 74 B5R0.2 CCCNCC CDS000615 [0,0,1,0,0,0|2,0,0]=3 75 B5R0.2 CCCOCC CDS000380 [0,0,1,0,0,0|2,0,0]=3 76 B5R0.2 CCNNCC S814563 [0,0,1,0,0,0|3,0,0]=4 77 B5R0.2 CCOCCN CDS000379 [0,0,1,0,0,0|2,0,0]=3 78 B5R0.2 CCSCCO PH011451 [0,0,1,0,0,0|1,1,0]=3 79 B5R0.2 CNCCCBr PH013730 [0,0,1,0,0,0|2,0,0]=3 80 B5R0.2 COCCSC S698245 [0,0,1,0,0,0|3,0,0]=4 81 B5R0.2 CSCCC#N T160407 [0,0,1,0,0,0|2,0,1]=4 82 B5R0.3 C(=O)C(S)CO S612626 [0,0,1,0,0,0|2,0,1]=4 83 B5R0.3 CC(CN)CO CDS010871 [0,0,1,0,0,0|3,0,0]=4 84 B5R0.3 CCC(=O)CO R277614 [0,0,1,0,0,0|1,1,1]=4 85 B5R0.3 CCC(C)NN PH019109 [0,0,1,0,0,0|3,0,0]=4 86 B5R0.3 CCC(N)CC TMT00064 [0,0,1,0,0,0|1,0,0]=2 87 B5R0.3 CCC(O)CBr PH018186 [0,0,1,0,0,0|1,1,0]=3 88 B5R0.3 CCC(O)CN CDS000624 [0,0,1,0,0,0|1,1,0]=3 89 B5R0.3 CCN(O)CC S623067 [0,0,1,0,0,0|1,1,0]=3 90 B5R0.3 CC[Tl](Br)CC S837075 [0,0,1,0,0,0|2,0,0]=3 91 B5R0.3 CC[Tl](I)CC S837083 [0,0,1,0,0,0|2,0,0]=3 92 B5R0.3 NC(CBr)CBr R150371 [0,0,1,0,0,0|3,0,0]=4 93 B5R0.3 NCC(Br)CBr R151203 [0,0,1,0,0,0|3,0,0]=4 94 B5R0.3 NCC(CN)N S741841 [0,0,1,0,0,0|3,0,0]=4 95 B5R0.3 OC(CF)CBr CDS019708 [0,0,1,0,0,0|2,1,0]=4 96 B7R2.13 C1OCC2C1O2 PHB00276 [0,0,0,1,0,0|1,1,0]=3 97 B5R1.2 O=C1CSC1 SYX00053 [0,0,0,0,1,0|1,1,1]=4 98 B7R1.3 BrC1CCSCC1 CBR02203 [0,0,0,0,0,1|1,0,0]=2 99 B7R1.3 CC1=CCCNC1 PHB00292 [0,0,0,0,0,1|1,0,2]=4 100 B7R1.3 CC1=CCNCC1 CBR01822 [0,0,0,0,0,1|1,0,2]=4 101 B7R1.3 CC1=NCCCN1 PH016717 [0,0,0,0,0,1|2,0,1]=4 102 B7R1.3 CC1=NCCCS1 PH000571 [0,0,0,0,0,1|2,0,1]=4 103 B7R1.3 CC1CNCCO1 CDS022716 [0,0,0,0,0,1|2,0,0]=3 104 B7R1.3 CC1NCCCS1 T149675 [0,0,0,0,0,1|2,0,0]=3 105 B7R1.3 IC1=CCCCC1 PH008510 [0,0,0,0,0,1|1,0,1]=3 106 B7R1.3 NC1CCCCC1 S512877 [0,0,0,0,0,1|1,0,0]=2 107 B7R1.3 NC1CCCCC1 S669822 [0,0,0,0,0,1|1,0,0]=2 108 B7R1.3 NC1CCCCC1 S926507 [0,0,0,0,0,1|1,0,0]=2 109 B7R1.3 NC1CCCOC1 CDS009128 [0,0,0,0,0,1|1,0,0]=2 110 B7R1.3 NC1CCOCC1 CDS006264 [0,0,0,0,0,1|1,0,0]=2 111 B7R1.3 O=C1CCCNC1 CDS006090 [0,0,0,0,0,1|0,1,1]=3 112 B7R1.3 O=C1COCCN1 T160245 [0,0,0,0,0,1|1,1,1]=4 113 B7R1.3 O=C1COCCO1 PH009771 [0,0,0,0,0,1|1,1,1]=4 114 B7R1.3 O=C1CSCCN1 PH010392 [0,0,0,0,0,1|1,1,1]=4 115 B7R1.3 O=C1NCCCN1 S436712 [0,0,0,0,0,1|1,1,1]=4 116 B7R1.3 O=C1NCCCO1 CBR00063 [0,0,0,0,0,1|1,1,1]=4 117 B7R1.3 O=C1OCCCO1 S939668 [0,0,0,0,0,1|1,1,1]=4 118 B7R1.3 O=S1CCCSC1 S885002 [0,0,0,0,0,1|1,1,0]=3 119 B7R1.3 O=S1CCNCC1 CDS019871 [0,0,0,0,0,1|1,1,0]=3 120 B7R1.3 OC1CCCSC1 S461172 [0,0,0,0,0,1|0,1,0]=2 121 B7R1.3 SC1CCNCC1 PHB00269 [0,0,0,0,0,1|0,0,0]=1 122 B7R1.3 SC1CCOCC1 CDS023754 [0,0,0,0,0,1|0,0,0]=1 123 B4R0.2 CCCC[NH3+] S342920 [1,0,1,0,0,0|1,0,0]=3 124 B4R0.2 CC[PbH2]CC S818542 [1,0,1,0,0,0|1,0,0]=3 125 B4R0.2 N#CCCS OTV000794 [1,0,1,0,0,0|1,0,1]=4 126 B4R0.2 NCCCF CDS007794 [1,0,1,0,0,0|2,0,0]=4 127 B4R0.2 OCCCF CDS002969 [1,0,1,0,0,0|1,1,0]=4 128 B4R0.2 SCCCN OTV000791 [1,0,1,0,0,0|1,0,0]=3 129 B6R0.1 CC(CO)CCN CDS000171 [0,1,1,0,0,0|1,1,0]=4 130 B6R0.1 CCC(C)CCN CBR00385 [0,1,1,0,0,0|2,0,0]=4 131 B6R0.1 CCCC(C)NC PH018184 [0,1,1,0,0,0|1,0,0]=3 132 B6R0.1 CCCC(N)CC CBR01120 [0,1,1,0,0,0|1,0,0]=3 133 B6R0.1 CCNC(C)CC CBR00870 [0,1,1,0,0,0|2,0,0]=4 134 B6R0.1 CC[C@H](N)COC PH019017 [0,1,1,0,0,0|2,0,0]=4 135 B6R0.1 CNC(C)CCO CBR02003 [0,1,1,0,0,0|2,0,0]=4 136 B6R0.1 COCC(O)CCl S615455 [0,1,1,0,0,0|1,1,0]=4 137 B6R0.1 COCC(O)CN CDS009718 [0,1,1,0,0,0|1,1,0]=4 138 B6R0.1 C[C@@H](CO)CCN CDS000036 [0,1,1,0,0,0|1,1,0]=4 139 B6R0.2 C=C(C)CC(C)C R289256 [0,1,1,0,0,0|1,0,1]=4 140 B6R0.3 CC(N)C(C)CO PH007413 [0,1,1,0,0,0|2,0,0]=4 141 B6R0.3 CC(O)C(C)CO S309524 [0,1,1,0,0,0|1,1,0]=4 142 B6R0.3 CNC(C)C(C)C CBR00876 [0,1,1,0,0,0|2,0,0]=4 143 B6R0.4 C=CCCC(C)C R289442 [0,1,1,0,0,0|1,0,1]=4 144 B6R0.4 CC(C)OCCN CDS000373 [0,1,1,0,0,0|2,0,0]=4 145 B6R0.4 CCCC=C(C)C S419117 [0,1,1,0,0,0|1,0,1]=4 146 B6R0.4 CCCSC(=O)C CDS000298 [0,1,1,0,0,0|0,1,1]=4 147 B6R0.4 CCCSC(C)C S570702 [0,1,1,0,0,0|1,0,0]=3 148 B6R0.4 CCSCC(=O)C S614262 [0,1,1,0,0,0|0,1,1]=4 149 B6R0.4 CSCCC(C)C S351520 [0,1,1,0,0,0|1,0,0]=3 150 B6R0.4 [C-]#[N+]CCC(C)C CDS008921 [0,1,1,0,0,0|1,0,1]=4 151 B6R0.5 CC(C)(C)CCCl S416630 [0,1,1,0,0,0|2,0,0]=4 152 B6R0.5 CC(C)(Cl)CCCl S434116 [0,1,1,0,0,0|2,0,0]=4 153 B6R0.5 CC(C)(F)CCO PH018175 [0,1,1,0,0,0|2,0,0]=4 154 B6R0.5 CC(C)(O)CCCl CDS019086 [0,1,1,0,0,0|1,1,0]=4 155 B6R0.5 CC(C)(O)CCN CDS019270 [0,1,1,0,0,0|1,1,0]=4 156 B6R0.5 CCNC(C)(C)C CDS000392 [0,1,1,0,0,0|2,0,0]=4 157 B6R0.5 CNCC(C)(C)C CBR00855 [0,1,1,0,0,0|2,0,0]=4 158 B6R0.5 CNCC(C)(C)C CDS011416 [0,1,1,0,0,0|2,0,0]=4 159 B6R0.5 COCC(C)(C)N CBR00858 [0,1,1,0,0,0|2,0,0]=4 160 B6R0.6 C=CCSCCC S357391 [0,1,1,0,0,0|1,0,1]=4 161 B6R0.6 CCCCCSC S357952 [0,1,1,0,0,0|0,0,0]=2 162 B6R0.6 CCCCNC=O S550981 [0,1,1,0,0,0|0,1,1]=4 163 B6R0.6 CCCCSC#N S449814 [0,1,1,0,0,0|1,0,1]=4 164 B6R0.6 CCCNCCC R580155 [0,1,1,0,0,0|1,0,0]=3 165 B6R0.6 CCCOCC#N PH011429 [0,1,1,0,0,0|1,0,1]=4 166 B6R0.6 CCCSCCO S408859 [0,1,1,0,0,0|0,1,0]=3 167 B6R0.6 CCOCC[Hg]Cl S564443 [0,1,1,0,0,0|2,0,0]=4 168 B6R0.6 CCSCCCO PH017932 [0,1,1,0,0,0|0,1,0]=3 169 B6R0.6 COCCCC=O CDS022820 [0,1,1,0,0,0|0,1,1]=4 170 B6R0.6 FCCCCCBr CBR02103 [0,1,1,0,0,0|1,0,0]=3 171 B6R0.6 NCCOCCN CDS000024 [0,1,1,0,0,0|2,0,0]=4 172 B6R0.6 NCCSCCO S449539 [0,1,1,0,0,0|1,1,0]=4 173 B6R0.6 [C-]#[N+]CCCOC PH015420 [0,1,1,0,0,0|2,0,0]=4 174 B6R0.8 CC[Pb](Br)(Br)CC S813206 [0,1,1,0,0,0|2,0,0]=4 175 B6R0.8 CC[Pb](Cl)(Cl)CC S798401 [0,1,1,0,0,0|2,0,0]=4 176 B6R0.9 CCC(CC)CN CDS014133 [0,1,1,0,0,0|1,0,0]=3 177 B6R0.9 CCC(CC)NC CBR01265 [0,1,1,0,0,0|1,0,0]=3 178 B6R0.9 CCC(CN)OC CBR00912 [0,1,1,0,0,0|1,1,0]=4 179 B6R0.9 CCC(CN)OC CDS002072 [0,1,1,0,0,0|1,1,0]=4 180 B6R0.9 CCN(CC)CC R156221 [0,1,1,0,0,0|2,0,0]=4 181 B6R1.4 CC1CCC1=O CDS021461 [0,1,0,0,1,0|0,1,1]=4 182 B6R1.5 CN1CC(C1)N CDS007511 [0,1,0,0,1,0|2,0,0]=4 183 B6R1.5 NC1CC(C1)O CDS022886 [0,1,0,0,1,0|0,1,0]=3 184 B6R1.5 O=C1CC(C1)Br SYX00267 [0,1,0,0,1,0|0,1,1]=4 185 B6R1.6 BrCC1COC1 CDS024465 [0,1,0,0,1,0|2,0,0]=4 186 B6R1.6 COC1CNC1 CDS006482 [0,1,0,0,1,0|1,1,0]=4 187 B6R1.6 ICC1COC1 CDS024395 [0,1,0,0,1,0|2,0,0]=4 188 B6R1.6 N#CC1CCC1 CDS014291 [0,1,0,0,1,0|1,0,0]=3 189 B6R1.6 NCC1CCC1 CDS009558 [0,1,0,0,1,0|1,0,0]=3 190 B6R1.10 O=S1(=O)CCC1 S620734 [0,1,0,0,1,0|1,1,0]=4 191 B8R1.2 BrCC1CCOCC1 CDS013754 [0,1,0,0,0,1|1,0,0]=3 192 B8R1.2 C#CC1CCOCC1 CDS024231 [0,1,0,0,0,1|1,0,0]=3 193 B8R1.2 CCC1CNCCN1 CBR00969 [0,1,0,0,0,1|2,0,0]=4 194 B8R1.2 CCC1CNCCO1 CDS009046 [0,1,0,0,0,1|2,0,0]=4 195 B8R1.2 CCC1NCCCS1 T149683 [0,1,0,0,0,1|2,0,0]=4 196 B8R1.2 CNC1CCOCC1 CDS001741 [0,1,0,0,0,1|1,0,0]=3 197 B8R1.2 COC1CC=CCC1 PH007914 [0,1,0,0,0,1|0,1,1]=4 198 B8R1.2 COC1CCCNC1 CDS007978 [0,1,0,0,0,1|0,1,0]=3 199 B8R1.2 ClCC1OCCCO1 S866008 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.2 N#CC1CC=CCC1 S454052 [0,1,0,0,0,1|1,0,1]=4 201 B8R1.2 N#CC1CCCNC1 CDS008635 [0,1,0,0,0,1|1,0,0]=3 202 B8R1.2 N#C[C@@H]1CCCNC1 CDS008821 [0,1,0,0,0,1|1,0,0]=3 203 B8R1.2 NCC1=CCCCC1 CBR00863 [0,1,0,0,0,1|1,0,1]=4 204 B8R1.2 NCC1CCCCO1 CDS006458 [0,1,0,0,0,1|1,0,0]=3 205 B8R1.2 NCC1CCCCO1 CDS006719 [0,1,0,0,0,1|1,0,0]=3 206 B8R1.2 NCC1CCCNC1 CDS013586 [0,1,0,0,0,1|1,0,0]=3 207 B8R1.2 NCC1CCOCC1 CDS003651 [0,1,0,0,0,1|1,0,0]=3 208 B8R1.2 NNC1CCCCC1 S859435 [0,1,0,0,0,1|1,0,0]=3 209 B8R1.2 O=CC1CCCCO1 CDS019507 [0,1,0,0,0,1|0,1,0]=3 210 B8R1.2 O=CC1CCNCC1 CDS013816 [0,1,0,0,0,1|0,1,0]=3 211 B8R1.2 O=CC1CCOCC1 CDS020197 [0,1,0,0,0,1|0,1,0]=3 212 B8R1.2 O=CC1CCSCC1 CDS020250 [0,1,0,0,0,1|0,1,0]=3 213 B8R1.2 OCC1CCCOC1 CDS015486 [0,1,0,0,0,1|0,1,0]=3 214 B8R1.2 ON=C1CCSCC1 SYX00364 [0,1,0,0,0,1|0,1,1]=4 215 B8R1.2 SCC1CCCCC1 CDS020661 [0,1,0,0,0,1|0,0,0]=2 216 B8R1.2 SCN1CCCCC1 S302953 [0,1,0,0,0,1|1,0,0]=3 217 B8R1.2 SCN1CCOCC1 S276588 [0,1,0,0,0,1|1,0,0]=3 218 B8R1.2 [C-]#[N+]C1CCOCC1 PH015905 [0,1,0,0,0,1|1,0,0]=3 219 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,1,0,0,0,1|1,0,1]=4 220 B8R1.3 CC1CCC(CC1)Br CDS001451 [0,1,0,0,0,1|1,0,0]=3 221 B8R1.3 CC1CCC(CC1)N T138053 [0,1,0,0,0,1|1,0,0]=3 222 B8R1.3 CN1CCC(CC1)Cl CDS003957 [0,1,0,0,0,1|1,0,0]=3 223 B8R1.3 CN1CCC(CC1)N CDS000065 [0,1,0,0,0,1|1,0,0]=3 224 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [0,1,0,0,0,1|1,0,0]=3 225 B8R1.3 ClC1CCC(CC1)Cl PH011417 [0,1,0,0,0,1|1,0,0]=3 226 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,1,0,0,0,1|1,0,0]=3 227 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,1,0,0,0,1|0,1,1]=4 228 B8R1.3 N[C@H]1CC[C@@H](CC1)O CDS003274 [0,1,0,0,0,1|0,1,0]=3 229 B8R1.3 N[C@H]1CC[C@H](CC1)O CDS019704 [0,1,0,0,0,1|0,1,0]=3 230 B8R1.3 O=C1CCC(CC1)O T292184 [0,1,0,0,0,1|0,1,0]=3 231 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,1,0,0,0,1|0,1,1]=4 232 B8R1.4 CC1CC(CCN1)O CDS008819 [0,1,0,0,0,1|0,1,0]=3 233 B8R1.4 CC1CCCC(C1)N CDS007614 [0,1,0,0,0,1|1,0,0]=3 234 B8R1.4 CC1CCCC(C1)S CDS023316 [0,1,0,0,0,1|0,0,0]=2 235 B8R1.4 CC1CCOC(O1)C S346918 [0,1,0,0,0,1|2,0,0]=4 236 B8R1.4 CC1COCC(N1)C CDS019404 [0,1,0,0,0,1|2,0,0]=4 237 B8R1.4 CC1CSCC(O1)C S347396 [0,1,0,0,0,1|2,0,0]=4 238 B8R1.4 CN1CCCC(C1)N CDS007772 [0,1,0,0,0,1|1,0,0]=3 239 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [0,1,0,0,0,1|2,0,0]=4 240 B8R1.4 N1C(CCCC1C)C S379425 [0,1,0,0,0,1|1,0,0]=3 241 B8R1.4 N1C(CCCC1C)C S379727 [0,1,0,0,0,1|1,0,0]=3 242 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,1,0,0,0,1|0,1,1]=4 243 B8R1.4 O=S1CCCS(=O)C1 L165794 [0,1,0,0,0,1|1,1,0]=4 244 B8R1.4 OC1C=C(CCC1)Br T262986 [0,1,0,0,0,1|0,1,1]=4 245 B8R1.5 CC1CC=CCC1C T152838 [0,1,0,0,0,1|1,0,1]=4 246 B8R1.5 FC1=C(CCCC1)Br S896187 [0,1,0,0,0,1|1,0,1]=4 247 B8R1.5 FC1CCCCC1Br CDS002897 [0,1,0,0,0,1|1,0,0]=3 248 B8R1.5 NC1CCCNC1=O CDS020148 [0,1,0,0,0,1|0,1,1]=4 249 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [0,1,0,0,0,1|0,1,0]=3 250 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [0,1,0,0,0,1|0,1,0]=3 251 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [0,1,0,0,0,1|1,0,0]=3 252 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,1,0,0,0,1|0,1,1]=4 253 B8R1.5 O=C1CCOCC1F SYX00096 [0,1,0,0,0,1|0,1,1]=4 254 B8R1.5 OC1CCCC=C1Br T272590 [0,1,0,0,0,1|0,1,1]=4 255 B8R1.5 OC1CCCCC1Br PH007482 [0,1,0,0,0,1|0,1,0]=3 256 B8R1.5 O[C@@H]1CNCC[C@H]1F OMC00066 [0,1,0,0,0,1|0,1,0]=3 257 B8R1.72 CC1(CC=CCC1)O T180912 [0,1,0,0,0,1|0,1,1]=4 258 B8R1.72 CC1(CCCCN1)C PH019129 [0,1,0,0,0,1|1,0,0]=3 259 B8R1.72 CC1(CCNCC1)C CDS012487 [0,1,0,0,0,1|1,0,0]=3 260 B8R1.72 CC1(CCNCC1)F OMC00032 [0,1,0,0,0,1|1,0,0]=3 261 B8R1.72 CC1(CNCCN1)C CDS009230 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.72 CC1(CNCCO1)C CDS019319 [0,1,0,0,0,1|2,0,0]=4 263 B8R1.72 C[N+]1(CCCCC1)C S347310 [0,1,0,0,0,1|2,0,0]=4 264 B8R1.72 C[Si]1(CCCCC1)C S584983 [0,1,0,0,0,1|1,1,0]=4 265 B8R1.72 FC1(CCCNC1)F CDS014010 [0,1,0,0,0,1|1,0,0]=3 266 B8R1.1 CCC1CCC(C1)C R289752 [0,2,0,0,0,0|1,0,0]=3 267 B8R1.1 CCN1CCC(C1)N CBR01844 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.1 CN1CCC(C1)CBr CBR01706 [0,2,0,0,0,0|2,0,0]=4 269 B8R1.1 CN1CCC(C1)CCl CBR01971 [0,2,0,0,0,0|2,0,0]=4 270 B8R1.1 CN1CCC(C1)NN PH019450 [0,2,0,0,0,0|2,0,0]=4 271 B8R1.1 CNC1CCN(C1)C CDS000172 [0,2,0,0,0,0|2,0,0]=4 272 B8R1.7 CC(C)C1CCCC1 R289671 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.7 FC(F)C1CCNC1 PH019600 [0,2,0,0,0,0|2,0,0]=4 274 B8R1.7 N=C(N)C1CCCO1 PH015042 [0,2,0,0,0,0|2,0,0]=4 275 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,2,0,0,0,0|0,1,0]=3 276 B8R1.7 NC(=O)C1CCCN1 CDS008010 [0,2,0,0,0,0|1,1,0]=4 277 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,2,0,0,0,0|1,1,0]=4 278 B8R1.7 S=C([S-])C1CCCN1 R128589 [0,2,0,0,0,0|1,0,1]=4 279 B8R1.8 C(=C1CCCC1)C#N T175536 [0,2,0,0,0,0|1,0,1]=4 280 B8R1.8 CCNC1CCCC1 CBR00868 [0,2,0,0,0,0|1,0,0]=3 281 B8R1.8 CCOC1CCNC1 CDS023169 [0,2,0,0,0,0|1,1,0]=4 282 B8R1.8 CNCC1CCOC1 CBR01975 [0,2,0,0,0,0|2,0,0]=4 283 B8R1.8 ClCCN1CCCC1 CDS008148 [0,2,0,0,0,0|2,0,0]=4 284 B8R1.8 NCCC1CCCC1 CDS008185 [0,2,0,0,0,0|1,0,0]=3 285 B8R1.8 NCCC1CCCC1 T175072 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.8 S=C=NC1CCCC1 CDS000716 [0,2,0,0,0,0|0,0,1]=3 287 B8R1.8 [C-]#[N+]CC1CCCO1 PH015408 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.11 C#C[C@H]1CCC[C@@H]1O R238252 [0,2,0,0,0,0|0,1,0]=3 289 B8R1.11 CN1CCCC1CCl CBR02411 [0,2,0,0,0,0|2,0,0]=4 290 B8R1.11 CN1CCCC1CN CBR00699 [0,2,0,0,0,0|2,0,0]=4 291 B8R1.11 CN1CCCC1CO CDS011078 [0,2,0,0,0,0|1,1,0]=4 292 B8R1.11 CN[C@H]1COC[C@@H]1O CBR00924 [0,2,0,0,0,0|1,1,0]=4 293 B8R1.11 CO[C@H]1CNC[C@@H]1O CBR02395 [0,2,0,0,0,0|1,1,0]=4 294 B8R1.11 CO[C@H]1CNC[C@@H]1O PHB00243 [0,2,0,0,0,0|1,1,0]=4 295 B8R1.11 N#CC1CCCC1=O CDS020714 [0,2,0,0,0,0|0,1,1]=4 296 B8R1.11 NN[C@@H]1CCC[C@H]1O CBR01625 [0,2,0,0,0,0|0,1,0]=3 297 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [0,2,0,0,0,0|0,1,0]=3 298 B8R1.52 CC1(CCCO1)C#N CBR00119 [0,2,0,0,0,0|2,0,0]=4 299 B8R1.52 C[C@]1(CCCN1)CO CDS021337 [0,2,0,0,0,0|1,1,0]=4 300 B8R1.52 C[N+]1(CCCC1)CI S866067 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.50 CC1CCC(C1O)O S352810 [0,2,0,0,0,0|0,1,0]=3 302 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [0,2,0,0,0,0|0,1,0]=3 303 B8R1.51 CC1CCC(N1)(C)C CBR01640 [0,2,0,0,0,0|2,0,0]=4 304 B8R1.51 CC1CNC(C1)(C)C CBR01529 [0,2,0,0,0,0|2,0,0]=4 305 B8R1.51 NC1CCS(=O)(=O)C1 PH009969 [0,2,0,0,0,0|1,1,0]=4 306 B8R1.51 NC1CCS(=O)(=O)C1 S172014 [0,2,0,0,0,0|1,1,0]=4 307 B8R1.19 CC1(CCOC1O)C T274453 [0,2,0,0,0,0|1,1,0]=4 308 B8R1.19 CC1CCCS1(=O)=O S566659 [0,2,0,0,0,0|1,1,0]=4 309 B6R1.3 CNCC1CC1 CBR00064 [0,0,1,1,0,0|2,0,0]=4 310 B6R1.3 NCCC1CC1 CDS004252 [0,0,1,1,0,0|2,0,0]=4 311 B6R1.8 CC1OC1CO PH008155 [0,0,1,1,0,0|1,1,0]=4 312 B6R1.8 CCC1CC1N CDS012189 [0,0,1,1,0,0|1,0,0]=3 313 B6R1.9 CC1CC1(C)C R289639 [0,0,1,1,0,0|1,0,0]=3 314 B6R1.11 CC(C)C1CC1 R289612 [0,0,1,1,0,0|1,0,0]=3 315 B6R1.11 CC(N)C1CC1 CDS018130 [0,0,1,1,0,0|1,0,0]=3 316 B6R1.11 C[C@@H](N)C1CC1 CDS000831 [0,0,1,1,0,0|1,0,0]=3 317 B6R1.1 C1COCCN1 S503576 [0,0,1,1,0,0|1,1,0]=4 318 B6R1.1 C1COCCN1 S579327 [0,0,1,1,0,0|1,1,0]=4 319 B6R1.1 C1COCCN1 S683396 [0,0,1,1,0,0|1,1,0]=4 320 B6R1.7 NCC1(CC1)O CDS009576 [0,0,1,1,0,0|1,1,0]=4 321 B8R2.25 C1=CC[C@H]2C[C@H]2C1 T187259 [0,0,0,1,0,1|1,0,1]=4 322 B8R2.34 [C@H]12CC[C@H](C1)NC2 CDS019247 [0,0,0,1,0,1|1,0,0]=3 323 B8R2.38 [C@@H]12CCC([C@@H]1C2)O T227315 [0,0,0,1,0,1|0,1,0]=3 324 B8R1.22 CC1=NCCCCN1 S168785 [0,0,0,0,0,2|1,0,1]=4 325 B8R1.22 CC1CCCCCO1 T168866 [0,0,0,0,0,2|1,0,0]=3 326 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,0,0,2|0,1,1]=4 327 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,0,0,2|0,1,1]=4 328 B8R1.22 O=C1CSCCSC1 CBR01192 [0,0,0,0,0,2|0,1,1]=4 329 B8R1.22 OC1CCCCCO1 S866032 [0,0,0,0,0,2|0,1,0]=3 330 B8R1.22 S=C1NCCCCN1 PH000173 [0,0,0,0,0,2|0,0,2]=4