0 B9R1.69 CC1CC(CCC1O)O PH007017 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.69 CC1CCC(=O)C(C1)C T295450 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.69 CC1CCC(C(C1)C)O S436828 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.69 CC1CN(CCN1C)C S365289 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.69 C[C@H]1CN([C@H](CN1)C)C PH019511 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.69 C[C@H]1C[C@H](COC1=O)C T269239 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.3 CC1=CCC(CC1)Cl S109576 [1,0,0,0,0,0|1,0,2]=4 7 B8R1.3 CC1CCC(CC1)Br CDS001451 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.3 CC1CCC(CC1)N T138053 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.3 CN1CCC(CC1)Cl CDS003957 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.3 CN1CCC(CC1)N CDS000065 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.3 ClC1CCC(CC1)Cl PH011417 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.3 NC1CCC(=O)CC1 CDS009700 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.3 N[C@H]1CC[C@@H](CC1)O CDS003274 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.3 N[C@H]1CC[C@H](CC1)O CDS019704 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.3 O=C1CCC(CC1)O T292184 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.4 CC1CC(CCN1)O CDS008819 [1,0,0,0,0,0|1,0,0]=2 19 B8R1.4 CC1CCCC(C1)N CDS007614 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.4 CC1CCCC(C1)S CDS023316 [1,0,0,0,0,0|0,1,0]=2 21 B8R1.4 CC1CCOC(O1)C S346918 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.4 CC1COCC(N1)C CDS019404 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.4 CC1CSCC(O1)C S347396 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.4 CN1CCCC(C1)N CDS007772 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.4 N1C(CCCC1C)C S379425 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.4 N1C(CCCC1C)C S379727 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.4 OC1C=C(CCC1)Br T262986 [1,0,0,0,0,0|1,0,2]=4 29 B8R1.5 CC1CC=CCC1C T152838 [1,0,0,0,0,0|0,0,2]=3 30 B8R1.5 FC1CCCCC1Br CDS002897 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.5 OC1CCCCC1Br PH007482 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.5 O[C@@H]1CNCC[C@H]1F OMC00066 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.118 BrC1CC(C(CC1Br)Br)Br T331449 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.118 CC1CC(C(CC1O)O)C R179647 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.118 N1C(C(NC(C1C)C)C)C S413712 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.119 OC1COC(C(C1O)O)O S358045 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.1 C/C=C\C(O)CCCC S364290 [0,0,1,0,0,0|0,0,2]=3 41 B8R0.1 CCCC(O)CCCO S838322 [0,0,1,0,0,0|1,0,0]=2 42 B8R0.1 CCCCC(=O)CCC S456489 [0,0,1,0,0,0|0,0,2]=3 43 B8R0.1 CCCCN(C)CCN PH014575 [0,0,1,0,0,0|3,0,0]=4 44 B8R0.1 CCCCN(C)CCO PH017931 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.3 CCCC(O)C(C)CC S412430 [0,0,1,0,0,0|2,0,0]=3 46 B8R0.3 CCN(C)C(C)CCN CBR01373 [0,0,1,0,0,0|2,0,0]=3 47 B8R0.8 CCCCC(C)C(C)O S374199 [0,0,1,0,0,0|2,0,0]=3 48 B8R0.9 CCC(O)CCC(C)C CDS000278 [0,0,1,0,0,0|2,0,0]=3 49 B8R0.19 CCC(C)CC(O)CC S430854 [0,0,1,0,0,0|0,0,0]=1 50 B8R0.19 CC[C@H](C)C[C@H](C)CO T297186 [0,0,1,0,0,0|2,0,0]=3 51 B8R0.19 C[C@H](CO)C[C@@H](C)CO T297240 [0,0,1,0,0,0|3,0,0]=4 52 B8R0.23 CC(C)CC(O)C(C)C S437425 [0,0,1,0,0,0|2,0,0]=3 53 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [0,0,1,0,0,0|2,0,1]=4 54 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [0,0,1,0,0,0|2,0,1]=4 55 B8R0.23 CC(CC(=O)O)N(C)C CBR00883 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.23 CC(O)CC(O)C(C)C PH010921 [0,0,1,0,0,0|1,0,0]=2 57 B10R2.62 OC1CC2CCC1CC2 PH008493 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,0,0,0,1,0|1,0,2]=4 59 B8R1.50 CC1CCC(C1O)O S352810 [0,0,0,0,1,0|1,0,0]=2 60 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [0,0,0,0,1,0|0,0,0]=1 61 B7R0.1 CCCCCC[Hg]Cl S572519 [1,0,1,0,0,0|2,0,0]=4 62 B7R0.1 CCCCSCCC S367192 [1,0,1,0,0,0|1,0,0]=3 63 B7R0.1 CCCCSCCO S527408 [1,0,1,0,0,0|2,0,0]=4 64 B7R0.1 CCCOCCCN CDS000217 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.1 CCSCCSCC S347876 [1,0,1,0,0,0|2,0,0]=4 66 B7R0.1 CNCCCCCO PH007838 [1,0,1,0,0,0|2,0,0]=4 67 B7R0.1 COCCCCCO PH003271 [1,0,1,0,0,0|2,0,0]=4 68 B7R0.3 C(=C(/C)\CC)\CCO T295590 [1,0,1,0,0,0|0,0,2]=4 69 B7R0.3 C=C(CC)CCCC CDS000215 [1,0,1,0,0,0|0,0,2]=4 70 B7R0.3 C=CCCC(O)CC PH011335 [1,0,1,0,0,0|0,0,2]=4 71 B7R0.3 CC(CN)OCCO PH007420 [1,0,1,0,0,0|2,0,0]=4 72 B7R0.3 CCCCC(N)CC CDS021471 [1,0,1,0,0,0|1,0,0]=3 73 B7R0.3 CCCN[C@@H](C)CO PH014617 [1,0,1,0,0,0|2,0,0]=4 74 B7R0.3 CCCN[C@H](C)CO PH014618 [1,0,1,0,0,0|2,0,0]=4 75 B7R0.3 CCCSC(C)CC S570672 [1,0,1,0,0,0|1,0,0]=3 76 B7R0.3 CCOCC(O)CCl S379220 [1,0,1,0,0,0|2,0,0]=4 77 B7R0.3 CCSCC(O)CO R161446 [1,0,1,0,0,0|2,0,0]=4 78 B7R0.3 CCSCC(O)CO S327050 [1,0,1,0,0,0|2,0,0]=4 79 B7R0.7 C/C=C/C(O)CCC S417386 [1,0,1,0,0,0|0,0,2]=4 80 B7R0.7 C=CCC(O)CCC S350389 [1,0,1,0,0,0|0,0,2]=4 81 B7R0.7 CCCC(C)CC#N PH002982 [1,0,1,0,0,0|1,0,1]=4 82 B7R0.7 CCCC(Cl)CCC S563323 [1,0,1,0,0,0|1,0,0]=3 83 B7R0.7 CCCC(S)CCO CDS001520 [1,0,1,0,0,0|1,0,0]=3 84 B7R0.7 CCCS(=O)CCC S440973 [1,0,1,0,0,0|1,0,1]=4 85 B7R0.7 CCOC(C)CCO S322008 [1,0,1,0,0,0|1,0,0]=3 86 B7R0.7 CSCC(O)CSC R227919 [1,0,1,0,0,0|2,0,0]=4 87 B7R0.5 C=C(CCC)C(C)C R289221 [1,0,1,0,0,0|0,0,2]=4 88 B7R0.5 CC(C)C(N)CCO BBO000682 [1,0,1,0,0,0|1,0,0]=3 89 B7R0.5 CC(CCN)N(C)C CBR00152 [1,0,1,0,0,0|2,0,0]=4 90 B7R0.5 CC(CCO)N(C)C CBR00155 [1,0,1,0,0,0|1,0,0]=3 91 B7R0.5 CC/C=C(\C)/C(C)C R289558 [1,0,1,0,0,0|0,0,2]=4 92 B7R0.5 CCCC(=C(C)C)C R289469 [1,0,1,0,0,0|0,0,2]=4 93 B7R0.5 CCCC(C)C(C)O S433373 [1,0,1,0,0,0|1,0,0]=3 94 B7R0.10 CCN(C)C(C)CO CBR01495 [1,0,1,0,0,0|1,0,0]=3 95 B7R0.4 CC(C)CNCCO CBR01428 [1,0,1,0,0,0|1,0,0]=3 96 B7R0.4 CC(C)CSCCO PH017930 [1,0,1,0,0,0|1,0,0]=3 97 B7R0.4 CC(C)OCCCO CBR02059 [1,0,1,0,0,0|1,0,0]=3 98 B7R0.4 CC(O)CNCCN S438324 [1,0,1,0,0,0|2,0,0]=4 99 B7R0.4 CC(O)CNCCO S361372 [1,0,1,0,0,0|2,0,0]=4 100 B7R0.4 CCCCCC(C)Cl CDS000285 [1,0,1,0,0,0|1,0,0]=3 101 B7R0.4 CCCCSC(C)C S570605 [1,0,1,0,0,0|2,0,0]=4 102 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,0,1,0,0,0|1,0,0]=3 103 B7R0.4 CCCSCC(C)C S547131 [1,0,1,0,0,0|2,0,0]=4 104 B7R0.4 CN(C)CCCCN CDS013751 [1,0,1,0,0,0|2,0,0]=4 105 B7R0.4 COCCCC(C)O S671169 [1,0,1,0,0,0|1,0,0]=3 106 B7R0.6 CC(C)CC[C@@H](C)N PH017936 [1,0,1,0,0,0|1,0,0]=3 107 B7R0.6 CC(C)CC[C@@H](C)N S408158 [1,0,1,0,0,0|1,0,0]=3 108 B7R0.6 CC(C)CNC(C)C CBR01340 [1,0,1,0,0,0|2,0,0]=4 109 B7R0.6 CC(C)CSC(C)C S547204 [1,0,1,0,0,0|2,0,0]=4 110 B7R0.2 C=CC(O)CC(C)C PH008414 [1,0,1,0,0,0|0,0,2]=4 111 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [1,0,1,0,0,0|2,0,0]=4 112 B7R0.2 CCC(O)CC(C)C S447455 [1,0,1,0,0,0|0,0,0]=2 113 B7R0.2 CCC(O)CC(C)O PH001987 [1,0,1,0,0,0|1,0,0]=3 114 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [1,0,1,0,0,0|1,0,1]=4 115 B7R0.2 CN(C)CC(O)CN CBR02389 [1,0,1,0,0,0|2,0,0]=4 116 B7R1.3 BrC1CCSCC1 CBR02203 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.3 CC1CNCCO1 CDS022716 [2,0,0,0,0,0|2,0,0]=4 118 B7R1.3 CC1NCCCS1 T149675 [2,0,0,0,0,0|2,0,0]=4 119 B7R1.3 NC1CCCCC1 S512877 [2,0,0,0,0,0|1,0,0]=3 120 B7R1.3 NC1CCCCC1 S669822 [2,0,0,0,0,0|1,0,0]=3 121 B7R1.3 NC1CCCCC1 S926507 [2,0,0,0,0,0|1,0,0]=3 122 B7R1.3 NC1CCCOC1 CDS009128 [2,0,0,0,0,0|2,0,0]=4 123 B7R1.3 NC1CCOCC1 CDS006264 [2,0,0,0,0,0|2,0,0]=4 124 B7R1.3 OC1CCCSC1 S461172 [2,0,0,0,0,0|1,0,0]=3 125 B7R1.3 SC1CCNCC1 PHB00269 [2,0,0,0,0,0|1,1,0]=4 126 B7R1.3 SC1CCOCC1 CDS023754 [2,0,0,0,0,0|1,1,0]=4 127 B9R0.5 C=CCC(O)CCCCC S417475 [0,1,1,0,0,0|0,0,2]=4 128 B9R0.5 CCCCCC(=O)CCC S411825 [0,1,1,0,0,0|0,0,2]=4 129 B9R0.5 CCCCCC(C)CCC S431648 [0,1,1,0,0,0|1,0,0]=3 130 B9R0.5 CCCCCC(C)CCN PH007332 [0,1,1,0,0,0|2,0,0]=4 131 B9R0.5 CCCCNC(=O)CCC EME00389 [0,1,1,0,0,0|0,0,2]=4 132 B9R0.5 CCCCOC(C)OCC S240214 [0,1,1,0,0,0|2,0,0]=4 133 B9R0.8 CCCCC(=O)C(C)CC S431486 [0,1,1,0,0,0|0,0,2]=4 134 B9R0.8 CCCCC(O)C(C)CC S417467 [0,1,1,0,0,0|0,0,0]=2 135 B9R0.18 CCOCC(O)COCC S433292 [0,1,1,0,0,0|1,0,0]=3 136 B9R0.18 COCCN(O)CCOC PH004050 [0,1,1,0,0,0|2,0,0]=4 137 B9R0.35 CCCC(=O)C(O)CCC S705500 [0,1,1,0,0,0|0,0,1]=3 138 B9R0.35 CCCC(O)C(O)CCC PH008194 [0,1,1,0,0,0|0,0,0]=2 139 B9R0.6 CCCC(O)C(C)C(C)O S405051 [0,1,1,0,0,0|2,0,0]=4 140 B9R0.37 CCC(CC)C(N)CCO BBO000387 [0,1,1,0,0,0|1,0,0]=3 141 B9R0.3 CCCCC(O)C(C)(C)C S416975 [0,1,1,0,0,0|2,0,0]=4 142 B9R0.47 CCCCCC(O)C(C)C S431656 [0,1,1,0,0,0|2,0,0]=4 143 B9R0.43 CCC(CC)CCC(C)O S414557 [0,1,1,0,0,0|0,0,0]=2 144 B9R0.43 CCN(CC)CCC(C)N PH010254 [0,1,1,0,0,0|2,0,0]=4 145 B9R0.64 CCC(C)(O)CCC(C)C S504955 [0,1,1,0,0,0|1,0,0]=3 146 B9R0.26 CC/C(=N\O)/CC(C)CC S388327 [0,1,1,0,0,0|0,0,1]=3 147 B9R0.10 CC(C)CC(O)C(C)(C)C S876585 [0,1,1,0,0,0|2,0,0]=4 148 B9R1.1 CCC1CCC(CC1)N CDS002619 [1,1,0,0,0,0|1,0,0]=3 149 B9R1.1 CCC1CCC(CC1)O S504939 [1,1,0,0,0,0|0,0,0]=2 150 B9R1.1 CCN1CCC(CC1)C S647713 [1,1,0,0,0,0|2,0,0]=4 151 B9R1.1 CCN1CCC(CC1)O CDS021469 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [1,1,0,0,0,0|0,0,0]=2 153 B9R1.1 CN1CCC(CC1)CCl CBR01527 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.1 CN1CCC(CC1)CN ANV00108 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.1 CN1CCC(CC1)CN CDS006144 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.1 COC1CC=C(CC1)C T196010 [1,1,0,0,0,0|0,0,2]=4 157 B9R1.1 COC1CCC(CC1)N CDS024278 [1,1,0,0,0,0|1,0,0]=3 158 B9R1.1 N1CC(CCC1C)CC S361844 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.1 O=C1CCC(CC1)CO CDS017814 [1,1,0,0,0,0|0,0,2]=4 160 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [1,1,0,0,0,0|0,0,0]=2 161 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [1,1,0,0,0,0|0,0,0]=2 162 B9R1.10 CN1CCC(CC1)(C)O CDS020686 [1,1,0,0,0,0|1,0,0]=3 163 B9R1.2 CC1CCCC(C1)CBr CDS021385 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.2 CCN1CCCC(C1)Cl S443654 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.2 CN1CCCC(C1)CBr CBR01438 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.2 CN1CCNC(C1)CO CDS008722 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.3 CC1CCCC(=O)C1C CDS023514 [1,1,0,0,0,0|0,0,2]=4 168 B9R1.3 CC1CCCC(C1C)N PH010573 [1,1,0,0,0,0|1,0,0]=3 169 B9R1.3 CC1CCCC(C1N)C PH016106 [1,1,0,0,0,0|1,0,0]=3 170 B9R1.3 CC1OCCC(C1O)O PH008649 [1,1,0,0,0,0|1,0,0]=3 171 B9R1.34 CC1CC(=O)CC(C1)C S419052 [1,1,0,0,0,0|0,0,2]=4 172 B9R1.34 C[C@@H]1C[C@@H](C[C@@H](C1)C)O PH019597 [1,1,0,0,0,0|0,0,0]=2 173 B9R1.66 CC1(CC(CCO1)N)C CDS009920 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.66 CC1(CCCC(C1)O)C S480940 [1,1,0,0,0,0|0,0,0]=2 175 B9R1.15 CC[C@@H]1CNCCN1C PH018883 [1,1,0,0,0,0|2,0,0]=4 176 B9R1.15 CC\1CCCC/C1=N\O PH001354 [1,1,0,0,0,0|1,0,1]=4 177 B9R1.15 CN1CCCCC1CBr CBR01705 [1,1,0,0,0,0|1,0,0]=3 178 B9R1.15 CN1CCCCC1CCl CBR00922 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [1,1,0,0,0,0|1,0,0]=3 180 B9R1.15 N#C[C@@H]1CCCC[C@H]1O PH017201 [1,1,0,0,0,0|1,0,1]=4 181 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [1,1,0,0,0,0|1,0,0]=3 182 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [1,1,0,0,0,0|1,0,0]=3 183 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [1,1,0,0,0,0|1,0,0]=3 184 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [1,1,0,0,0,0|1,0,0]=3 185 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.40 CC1(CCCCC1O)O S352799 [1,1,0,0,0,0|1,0,0]=3 187 B9R1.40 CC1(CNCCC1O)C PHB00253 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.40 CC1CCCCC1(F)F MNO000101 [1,1,0,0,0,0|1,0,0]=3 189 B9R1.27 N1CC(C(C1C)CC)C S511501 [0,1,0,0,1,0|2,0,0]=4 190 B11R1.325 CC1CC(N(C(C1)(C)C)C)C PH012628 [0,2,0,0,0,0|2,0,0]=4 191 B11R1.37 CC1CCC(C(C1)CO)CO S454818 [0,2,0,0,0,0|1,0,0]=3 192 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C PH015551 [0,2,0,0,0,0|2,0,0]=4 193 B11R1.166 CC1OC(CCC1N(C)C)O T263117 [0,2,0,0,0,0|1,0,0]=3 194 B11R1.278 OCC1OCC(C(C1O)O)O S490199 [0,2,0,0,0,0|2,0,0]=4 195 B11R1.511 CC1CCC(C(C1=O)(C)C)C S942162 [0,2,0,0,0,0|1,0,1]=4 196 B9R1.8 BrCCC1CCCCN1 CBR00714 [0,0,1,1,0,0|2,0,0]=4 197 B9R1.8 CCCC1COCCN1 CBR00294 [0,0,1,1,0,0|2,0,0]=4 198 B9R1.8 CCCC1NCCCS1 T149691 [0,0,1,1,0,0|1,1,0]=4 199 B9R1.8 CCOC1CCCCO1 S359033 [0,0,1,1,0,0|1,0,0]=3 200 B9R1.8 CNCC1CCCCO1 CDS005693 [0,0,1,1,0,0|1,0,0]=3 201 B9R1.8 COCC1CCCCN1 CDS005671 [0,0,1,1,0,0|2,0,0]=4 202 B9R1.8 N1CCC(CC1)CCC S409944 [0,0,1,1,0,0|2,0,0]=4 203 B9R1.8 NCCC1CCCCC1 CDS013643 [0,0,1,1,0,0|2,0,0]=4 204 B9R1.8 OCCC1CCCCO1 T177393 [0,0,1,1,0,0|1,0,0]=3 205 B9R1.8 OCCC1CNCCO1 CDS009186 [0,0,1,1,0,0|2,0,0]=4 206 B9R1.12 CCCCC1OCCO1 T330108 [0,0,1,1,0,0|1,0,0]=3 207 B9R1.12 CCCNC1CCCC1 CBR00869 [0,0,1,1,0,0|2,0,0]=4 208 B9R1.12 NCCCC1CCCC1 CBR01730 [0,0,1,1,0,0|2,0,0]=4 209 B9R1.12 OCCCC1OCCO1 T290653 [0,0,1,1,0,0|2,0,0]=4 210 B9R1.49 C=C1CCCC(CC1)C T170666 [0,0,1,1,0,0|1,0,1]=4 211 B9R1.49 ClC1CCCC(CC1)Cl T170011 [0,0,1,1,0,0|2,0,0]=4 212 B9R1.50 BrC1CCCCCCC1 PH011377 [0,0,1,1,0,0|1,0,0]=3 213 B9R1.50 OC1CCCCCOC1 T168815 [0,0,1,1,0,0|1,0,0]=3 214 B9R1.134 CCCC1(CCCC1)O S416991 [0,0,1,1,0,0|0,0,0]=2 215 B9R1.134 NCCC1(CCCC1)O CBR00021 [0,0,1,1,0,0|1,0,0]=3 216 B9R1.11 CCC(=O)C1CCOC1 CDS024301 [0,0,1,1,0,0|1,0,1]=4 217 B9R1.28 CC1C(C(C1C)CO)C S272132 [0,0,1,1,0,0|0,0,0]=2 218 B9R1.28 C[C@H]1[C@@H]([C@H]([C@@H]1C)CI)C S149268 [0,0,1,1,0,0|1,0,0]=3 219 B9R1.6 CC(C)C1CCCCN1 PH003734 [0,0,1,1,0,0|2,0,0]=4 220 B9R1.6 CC(C)C1CCNCC1 CDS000108 [0,0,1,1,0,0|2,0,0]=4 221 B9R2.19 O=C1CCC2CC1O2 T173428 [1,0,0,1,0,0|1,0,1]=4 222 B9R2.21 O[C@@H]1C=C[C@H]2C[C@H]2C1 T187186 [1,0,0,1,0,0|0,0,2]=4 223 B9R2.39 C=C1CC2CCC1C2 R229288 [1,0,0,1,0,0|1,0,1]=4 224 B9R2.39 [C@@H]12CCN(C1)C[C@H]2O PH007931 [1,0,0,1,0,0|1,0,0]=3 225 B9R2.68 C1CC2CCC(C1)O2 T173541 [1,0,0,1,0,0|2,0,0]=4 226 B9R2.68 C1C[C@H]2CNC[C@@H]1C2 CBR01679 [1,0,0,1,0,0|2,0,0]=4 227 B9R2.109 O=C1CCCC2C1C2 T179566 [1,0,0,1,0,0|0,0,2]=4 228 B9R2.20 [C@@H]1(C=CC2C1CC2)O T178195 [0,0,0,1,1,0|0,0,2]=4 229 B9R2.20 [C@@H]1(C=C[C@H]2[C@@H]1CC2)O T283223 [0,0,0,1,1,0|0,0,2]=4 230 B9R2.20 [C@H]12C=C[C@H]([C@H]1CC2)O T167185 [0,0,0,1,1,0|0,0,2]=4 231 B9R2.20 [C@H]12CCC(=O)[C@H]1CC2 T177652 [0,0,0,1,1,0|0,0,2]=4 232 B11R2.48 CN1C[C@@H]2CC[C@H]1CNC2 CBR01819 [0,0,0,1,0,1|2,0,0]=4 233 B11R2.754 CC12C=C[C@H](CC1(C2)C)O T191566 [0,0,0,1,0,1|0,0,2]=4 234 B11R2.754 C[C@]12CC(C=C[C@]1(C2)C)O T187097 [0,0,0,1,0,1|0,0,2]=4 235 B11R2.36 OC1CCC2CCCC2C1 S350508 [0,1,0,1,0,0|0,0,0]=2 236 B11R2.36 [C@@H]12CCC[C@@H]1CN(CC2)C T167525 [0,1,0,1,0,0|2,0,0]=4 237 B11R2.47 C1(CC2C=CC1CC2O)O T227110 [0,1,0,1,0,0|1,0,1]=4 238 B11R2.1077 CC1(CCC(C2C1O2)O)C T219398 [0,1,0,1,0,0|1,0,0]=3 239 B11R2.367 C12CCN(CC1)[C@H]([C@@H]2N)C PH015260 [0,1,0,1,0,0|2,0,0]=4 240 B11R2.367 CC1C(C2CCN1CC2)O S461245 [0,1,0,1,0,0|2,0,0]=4 241 B11R2.367 C[C@H]1[C@@H](C2CCN1CC2)N PH019368 [0,1,0,1,0,0|2,0,0]=4 242 B11R2.531 [C@H]12CCC(=O)C([C@H]1CC2)C T181080 [0,1,0,1,0,0|0,0,2]=4 243 B11R2.533 [C@H]12C[C@H](C1(C)C)CCC2=O R229253 [0,1,0,1,0,0|0,0,2]=4 244 B11R3.82 O[C@H]1CC2C1C3C2C=C3 T193143 [0,0,0,2,0,0|0,0,2]=4 245 B11R3.19 OC1CC2CC1C3C2C3 T226092 [0,0,0,2,0,0|0,0,0]=2 246 B11R3.165 C1CC2N=NC1C3C2C3 T177792 [0,0,0,2,0,0|2,0,0]=4 247 B7R1.2 CC1CCC(N1)C S652032 [1,0,0,0,1,0|2,0,0]=4 248 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [1,0,0,0,1,0|2,0,0]=4 249 B7R1.2 OC1CCC(O1)O S806188 [1,0,0,0,1,0|2,0,0]=4 250 B7R1.4 CC1=CCCC1O T295310 [1,0,0,0,1,0|0,0,2]=4 251 B7R1.4 CC1CCCC1C R289701 [1,0,0,0,1,0|1,0,0]=3 252 B7R1.4 CC1CCCC1O CDS001174 [1,0,0,0,1,0|0,0,0]=2 253 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [1,0,0,0,1,0|2,0,0]=4 254 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [1,0,0,0,1,0|2,0,0]=4 255 B7R1.4 O[C@H]1CNC[C@@H]1O CDS018735 [1,0,0,0,1,0|2,0,0]=4 256 B9R0.1 CCC(C)CCCC(C)C S765406 [0,0,1,0,0,1|1,0,0]=3