0 B5R0.3 Br/C=C(\Br)/CBr S53202 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C(=O)C(S)CO S612626 [0,0,0,0,0,0|2,1,0]=3 2 B5R0.3 C/C(=C\Br)/CO S881295 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C=CC(C)C#N PH011344 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C=CC(O)CBr TMT00686 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.3 CC(CN)CO CDS010871 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CCC(=O)CO R277614 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.3 CCC(C)NN PH019109 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 CCC(N)CC TMT00064 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.3 CCC(O)CBr PH018186 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.3 CCC(O)CN CDS000624 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.3 CCN(O)CC S623067 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.3 CC[Tl](Br)CC S837075 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 CC[Tl](I)CC S837083 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 Cl/C=C(/Cl)\CCl PH008783 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 N#CC(Cl)CCl PH011445 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 NC(CBr)CBr R150371 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 NCC(Br)CBr R151203 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 NCC(CN)N S741841 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 OC(CF)CBr CDS019708 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 C#CC(C)N CDS010388 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 C=C(C)CN CDS003053 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CC(C)NN CDS002505 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(C)NN CDS002842 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CCB(O)O CDS003542 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 CCC(=N)N CBR01339 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CCC(=O)[O-] CDS000543 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CCC(=S)N CDS000328 [1,0,0,0,0,0|1,1,1]=4 28 B4R0.1 NCC(F)F CDS002768 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 O=C(O)CS CDS000504 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 C=CCCN CDS021978 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.2 CCCC[NH3+] S342920 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.2 CC[PbH2]CC S818542 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CNCC#N CDS000167 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 CNCC#N S570885 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 N#CCCI PH007185 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 N#CCCN CDS007521 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 N#CCCS OTV000794 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 NCCCF CDS007794 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 OC/C=C/Br S880973 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 OCCCF CDS002969 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 SCCCN OTV000791 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.1 C(=O)CC(C)OC T278319 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 C/C=C/[C@H](C)CC R289493 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.1 C/C=C\C(C)CC R289485 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.1 CC(CO)CCN CDS000171 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.1 CC/C=C(\C)/CC R289574 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.1 CC/C=C(\C)/CC R289582 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.1 CCC(C)CCN CBR00385 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.1 CCC(C)NC=O S620394 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.1 CCCC(C)NC PH018184 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CCCC(N)CC CBR01120 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.1 CCNC(C)CC CBR00870 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.1 CC[C@@H](N)CC#N CDS005516 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.1 CC[C@H](N)COC PH019017 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 CNC(C)CCO CBR02003 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 COC(=O)/C=C\I SYX00331 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 COCC(O)CCl S615455 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.1 COCC(O)CN CDS009718 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.1 C[C@@H](CO)CCN CDS000036 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 C#CC(O)C(C)C CDS001233 [0,1,0,0,0,0|0,0,2]=3 61 B6R0.3 C=CC(C)C(C)C R289299 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.3 C=CC(O)C(C)C S442062 [0,1,0,0,0,0|0,0,0]=1 63 B6R0.3 CC(CN)C(=O)O CDS014136 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.3 CC(CS)C(=O)O CDS000283 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.3 CC(N)C(C)CO PH007413 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.3 CC(O)C(C)CO S309524 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 CCC(C)C(=O)N S799637 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.3 CCC(C)[N+](=O)[O-] S919179 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.3 CCC(N)C(=O)N S784044 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.3 CCC(O)C(=O)O CDS000492 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.3 CNC(C)C(=O)N CBR00065 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.3 CNC(C)C(C)C CBR00876 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.3 NCC(N)C(=O)O R278769 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.8 C(=O)C(C)(C)CO R425931 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.8 C=CC(C)(C)CC R289280 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.8 CC(Cl)(C=O)CCl PH007234 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.9 CCC(C#N)C#N PH011095 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.9 CCC(CC)CN CDS014133 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.9 CCC(CC)NC CBR01265 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.9 CCC(CN)OC CBR00912 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.9 CCC(CN)OC CDS002072 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.9 COC(CO)OC T281328 [0,1,0,0,0,0|2,0,1]=4 85 B6R1.2 CC1CCNC1 CDS003772 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.2 C[C@@H]1CCNC1 CDS006861 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.2 C[C@H]1CCNC1 CDS009158 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 OC1=NSC=C1 CDS008627 [0,0,0,1,0,0|2,0,1]=4 89 B6R1.2 OC1CCCO1 CDS007077 [0,0,0,1,0,0|1,0,1]=3 90 B6R1.2 OC1CNOC1 CBR01544 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.2 O[C@H]1CCNC1 CDS003495 [0,0,0,1,0,0|1,0,1]=3 92 B6R1.4 CC1CCC1=O CDS021461 [0,0,0,1,0,0|2,0,0]=3 93 B6R1.4 O=C1CCC1=O S869309 [0,0,0,1,0,0|1,0,2]=4 94 B6R1.6 N#CC1CCC1 CDS014291 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.6 NCC1CCC1 CDS009558 [0,0,0,1,0,0|2,0,1]=4 96 B6R1.7 NCC1(CC1)O CDS009576 [0,0,0,1,0,0|1,0,1]=3 97 B6R1.8 CC1OC1CO PH008155 [0,0,0,1,0,0|1,0,1]=3 98 B6R1.8 CCC1CC1N CDS012189 [0,0,0,1,0,0|2,0,1]=4 99 B3R0.1 C=CCN CDS000416 [2,0,0,0,0,0|1,0,0]=3 100 B3R0.1 C=C[Hg]Cl S881899 [2,0,0,0,0,0|2,0,0]=4 101 B3R0.1 CCCC S124796 [2,0,0,0,0,0|0,0,1]=3 102 B3R0.1 CCNC CDS013740 [2,0,0,0,0,0|1,0,1]=4 103 B3R0.1 CC[Hg]Cl S659541 [2,0,0,0,0,0|2,0,0]=4 104 B3R0.1 NCCN S573019 [2,0,0,0,0,0|2,0,0]=4 105 B3R0.1 [O-]CC[O-] R647071 [2,0,0,0,0,0|1,0,1]=4 106 B3R0.2 CC(=O)O R252506 [2,0,0,0,0,0|1,0,1]=4 107 B3R0.2 CC(=O)O R252999 [2,0,0,0,0,0|1,0,1]=4 108 B3R0.2 CC(C)N CDS000378 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.1 C(=O)CC(C)O CDS019977 [1,1,0,0,0,0|0,0,1]=3 110 B5R0.1 C(=O)NC(C)C S378380 [1,1,0,0,0,0|2,0,0]=4 111 B5R0.1 C=C(C)CSC S866024 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.1 C=COC(=O)C S458201 [1,1,0,0,0,0|0,0,2]=4 113 B5R0.1 CC(=O)/C=C\N S312274 [1,1,0,0,0,0|0,0,2]=4 114 B5R0.1 CC(C)C=NO S388378 [1,1,0,0,0,0|2,0,0]=4 115 B5R0.1 CC(C)CCCl S564524 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.1 CC(O)CNN CBR01627 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.1 CNCC(C)C CDS000422 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.1 COC[C@@H](C)N CDS023796 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.1 COC[C@H](C)N CDS001149 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.1 O=C(O)/C=C/Cl R426903 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.1 O=C(O)/C=C\I PH010791 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.4 CC(C)(O)CN CDS007515 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.5 C=C(C)C(=O)C CDS000556 [1,1,0,0,0,0|0,0,2]=4 124 B5R0.5 C=C(C)C(C)O T277479 [1,1,0,0,0,0|0,0,0]=2 125 B5R0.5 CC(=O)C(C)F CDS002853 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.5 CC(C)C(=N)N CDS015019 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.5 CC(C)C(=S)N PH006913 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.5 CC(O)C(=O)[O-] S933260 [1,1,0,0,0,0|1,0,0]=3 129 B5R0.2 C#CCSCC R436380 [1,1,0,0,0,0|0,0,2]=4 130 B5R0.2 C(=O)CCC=C CDS000721 [1,1,0,0,0,0|0,0,1]=3 131 B5R0.2 C=C=CCCI T230871 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.2 C=CCNCC PH014544 [1,1,0,0,0,0|0,0,0]=2 133 B5R0.2 C=CCSCC S620327 [1,1,0,0,0,0|0,0,0]=2 134 B5R0.2 C=CSCCO PH007226 [1,1,0,0,0,0|1,0,0]=3 135 B5R0.2 CCC/C=N/O S429139 [1,1,0,0,0,0|1,0,0]=3 136 B5R0.2 CCCCSC S447420 [1,1,0,0,0,0|0,0,2]=4 137 B5R0.2 CCCC[Hg]Cl S829617 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.2 CCCNCC CDS000615 [1,1,0,0,0,0|0,0,2]=4 139 B5R0.2 CCCOCC CDS000380 [1,1,0,0,0,0|0,0,2]=4 140 B5R0.2 CCOCCN CDS000379 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.2 CCSCCO PH011451 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.2 CNCCCBr PH013730 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.2 COCCSC S698245 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.2 CSCCC#N T160407 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.2 C=C(Cl)C[C@H](O)CO T269794 [0,2,0,0,0,0|1,0,0]=3 146 B7R0.2 C=CC(C)OC(=O)C S413755 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.2 C=CC(O)CC(C)C PH008414 [0,2,0,0,0,0|0,0,0]=2 148 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.2 CCC(N)CC(=O)O CDS006113 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.2 CCC(O)CC(C)C S447455 [0,2,0,0,0,0|0,0,2]=4 151 B7R0.2 CCC(O)CC(C)O PH001987 [0,2,0,0,0,0|0,0,2]=4 152 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.2 CN(C)CC(O)CN CBR02389 [0,2,0,0,0,0|1,0,1]=4 154 B7R0.2 NC(=O)C[C@H](O)CO PH015444 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.3 C=CC(O)C/C=C\C T241768 [0,2,0,0,0,0|0,0,0]=2 156 B7R0.3 C=CCCC(O)CC PH011335 [0,2,0,0,0,0|0,0,0]=2 157 B7R0.3 C=CCOC(C)C=C T284599 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.3 C=CCSC(C)CC S366307 [0,2,0,0,0,0|1,0,0]=3 159 B7R0.3 CCOCC(O)CCl S379220 [0,2,0,0,0,0|1,0,1]=4 160 B7R0.3 CCSCC(O)CO R161446 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.3 CCSCC(O)CO S327050 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.5 C=CCC(O)C(=C)C S881163 [0,2,0,0,0,0|0,0,1]=3 163 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.5 CCOC(C)C(=O)O CBR01494 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.5 CCSC(C)C(=O)O CBR01403 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.5 CNCC(C)C(=O)O CBR01429 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.5 NCCC(N)C(=O)O PH018181 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.7 C/C=C/C(O)CCC S417386 [0,2,0,0,0,0|0,0,0]=2 171 B7R0.7 C=CCC(O)/C=C\C S505013 [0,2,0,0,0,0|0,0,1]=3 172 B7R0.7 C=CCC(O)CCC S350389 [0,2,0,0,0,0|0,0,0]=2 173 B7R0.7 CSCC(O)CSC R227919 [0,2,0,0,0,0|0,0,2]=4 174 B7R0.10 C=CC(C)C(O)C=C T288918 [0,2,0,0,0,0|0,0,0]=2 175 B7R0.10 C=C[C@@H](O)[C@@H](O)CO T269530 [0,2,0,0,0,0|0,0,0]=2 176 B7R0.10 CCC(=O)C(O)CC CDS000463 [0,2,0,0,0,0|0,0,1]=3 177 B7R0.10 CCC(C)/C(=N/O)/N CBR01424 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.11 C=CC(C)(O)CCC S504823 [0,2,0,0,0,0|0,0,0]=2 180 B7R0.11 C=CCC(C)(C)CO T273422 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.11 C=CCC(C)(O)CC S411957 [0,2,0,0,0,0|0,0,0]=2 182 B7R0.11 CCCC(C)(O)CC S426865 [0,2,0,0,0,0|0,0,2]=4 183 B7R0.11 CCCC(Cl)(Cl)C=O PH014411 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.12 CCC(COC)NN PH019431 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.12 CCN[C@H](CC)CO PH018891 [0,2,0,0,0,0|0,0,2]=4 186 B7R0.12 CCOC(CC)CN CBR01063 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.13 C=C(C)C(C)(C)CO S988618 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.13 C=CC(C)(O)C(C)C PH007071 [0,2,0,0,0,0|0,0,0]=2 189 B7R0.13 CCC(C)(C)C(=O)Cl CDS001197 [0,2,0,0,0,0|2,0,0]=4 190 B7R0.13 CCC(C)(O)C(=O)C PH007065 [0,2,0,0,0,0|0,0,1]=3 191 B7R0.13 C[C@](O)(CBr)C(=O)O PH008021 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.14 C=CC(C)C(C)(C)O S433365 [0,2,0,0,0,0|1,0,0]=3 193 B7R0.14 C=CC(O)[Si](C)(C)C R173983 [0,2,0,0,0,0|0,1,0]=3 194 B7R0.14 CCC(O)C(F)(F)F CDS004759 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.15 C(=O)C(CC)C(C)C S416274 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.15 C=C(C)C(CC)CC R289272 [0,2,0,0,0,0|1,0,0]=3 197 B7R0.15 CC/C(=N/O)/C(=O)O S283916 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.15 CCC(CC)C(=O)C PH016168 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.15 CCC(CC)C(=O)N S378488 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.15 CCC(CC)C(C)O S361860 [0,2,0,0,0,0|0,0,2]=4 201 B7R0.15 CCC(NN)C(=O)O PH009006 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.15 CCC(NO)C(=O)O S283789 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.16 C=C(C)C(C)C(=O)C S304417 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.16 CC(Br)C(Br)C(=O)O S706906 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.16 CC(O)C(Cl)C(=O)O PH007142 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.16 CC(O)C(N)C(=O)N S781339 [0,2,0,0,0,0|2,0,0]=4 207 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.18 CCC(C)(CO)CO R276413 [0,2,0,0,0,0|1,0,1]=4 209 B7R0.18 CCC(N)(CO)CO R750743 [0,2,0,0,0,0|1,0,1]=4 210 B5R1.4 CC1CC1N CDS012259 [1,0,0,1,0,0|1,0,1]=4 211 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,1,0,0|1,0,0]=3 212 B5R1.1 C1=NNCC1 CDS000117 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.1 BrCC1CCCO1 CDS001200 [0,1,0,1,0,0|1,0,1]=4 214 B7R1.1 CCC1C=CCC1 S416223 [0,1,0,1,0,0|1,0,0]=3 215 B7R1.1 COC1C=CCC1 S702501 [0,1,0,1,0,0|0,0,0]=2 216 B7R1.1 COC1CCNC1 CDS009205 [0,1,0,1,0,0|1,0,1]=4 217 B7R1.1 ClCC1CCOC1 CDS022549 [0,1,0,1,0,0|1,0,1]=4 218 B7R1.1 NCC1=COC=C1 CDS008929 [0,1,0,1,0,0|1,0,1]=4 219 B7R1.1 O=CC1CCCO1 CDS005466 [0,1,0,1,0,0|1,0,0]=3 220 B7R1.1 OCC1=NOC=C1 PHB00207 [0,1,0,1,0,0|1,0,1]=4 221 B7R1.1 OCC1CCCN1 CDS000339 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,1,0,1,0,0|0,0,2]=4 223 B7R1.2 O=C1CC(CO1)O S672874 [0,1,0,1,0,0|1,0,1]=4 224 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,1,0,1,0,0|1,0,1]=4 225 B7R1.2 OC1C=CC(C1)O S779164 [0,1,0,1,0,0|0,0,0]=2 226 B7R1.2 OC1CCC(O1)O S806188 [0,1,0,1,0,0|1,0,1]=4 227 B7R1.3 OC1CCCSC1 S461172 [0,1,0,1,0,0|0,0,2]=4 228 B7R1.4 CC1=CCCC1O T295310 [0,1,0,1,0,0|0,0,0]=2 229 B7R1.4 CC1CCCC1O CDS001174 [0,1,0,1,0,0|0,0,2]=4 230 B7R1.4 NC1CCOC1=O CDS012715 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.4 NC1CCSC1=O S784036 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,1,0,1,0,0|1,0,0]=3 236 B7R1.4 OC1C=CCC1O PH007055 [0,1,0,1,0,0|0,0,0]=2 237 B7R1.4 O[C@@H]1CCC=C1Br T262943 [0,1,0,1,0,0|0,0,0]=2 238 B7R1.4 O[C@H]1CNC[C@@H]1O CDS018735 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.15 CC1NC(=O)C1C T173835 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.15 CC1NC(=O)C1C T173843 [0,1,0,1,0,0|2,0,0]=4 241 B7R1.25 CC1(COC1)C=O CDS006155 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.12 CC1CC1C(=O)N EME00444 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.17 CC1C=CS1(=O)=O T173029 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.18 NC(=O)C1CCC1 S680745 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.18 O=C(O)C1CCN1 CDS008419 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.14 O=S1(=O)C=CCC1 SYX00239 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.29 NCC1(CC1)CO CDS017302 [0,1,0,1,0,0|1,0,1]=4 248 B7R2.13 C1OCC2C1O2 PHB00276 [0,0,0,2,0,0|1,0,1]=4