0 B8R0.6 C#CCCCC(=O)OC T287598 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.6 C=CC(=O)OCCCC S444715 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.6 CCC(C)CNCCO S393967 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.6 CCCCCC(=O)NN S849049 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.6 CCCCCC(=O)SC CDS010601 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.6 CCCCNC(=O)OC S352683 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.6 CCCCOC(=O)CCl S431451 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.6 CCCCOC(=O)CS S436992 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.6 CCCCSC(C)CC S570613 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.6 CCOCCC(=O)OC PH000125 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.6 CCOCCC(O)CC S347981 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.6 CCSCCC(=O)OC S365688 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.6 COC(=O)CCN=C=O PH010957 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.6 COC(=O)CNCC#N CDS021131 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.6 COC(=O)NCCC#N T284297 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 C/C=C\CCCCO S310700 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.1 CCCCCC[Hg]Cl S572519 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.1 CCCCCON=O CDS000385 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.1 CCCCSCCC S367192 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.1 CCCCSCCO S527408 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.1 CCCOCCCN CDS000217 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.1 CCOCCCNN PH019429 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.1 CCSCCSCC S347876 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.1 CNCCCCCO PH007838 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 COCC/C=C/CCl S359556 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.1 COCCCCCO PH003271 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.3 C(=C(/C)\CC)\CCO T295590 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.3 C(=O)C(=C)CCCC R425885 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.3 C=C(CC)CCCC CDS000215 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.3 CCC#CC(=O)OC T242845 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.3 CCCCC(N)CC CDS021471 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.3 CCCNC(=O)CCl OTV000047 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.3 CCCNC(=S)NC S512176 [1,0,0,0,0,0|2,1,0]=4 35 B7R0.3 CCCOC(=O)CBr PH011324 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.3 CCCOC(=O)CCl S431443 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.3 CCCOC(=O)CN PH019063 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.3 CCCSC(C)CC S570672 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.3 CCOCC(=O)OC EME00071 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.3 CCSCS(=O)CC S697834 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.3 CNC(=O)OCCCl L163082 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.3 CNC(=O)OCCO S392650 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.3 CNCCC(=O)NC CBR01261 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.3 COC(=O)CCC#N S369640 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.3 COCCC(=O)NN CDS018970 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.3 NNC(=O)CCCO CDS001562 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.4 C#CCOCC(=O)C S38874 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.4 C/C(=C\CCCBr)/Br S877557 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.4 C=C(Br)CCCCBr S881252 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.4 C=CCCOC(=O)C S510343 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.4 CC(=O)NCCCO OTV000276 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.4 CC(=O)OCCCS S786683 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,0,0,0,0,0|0,0,2]=3 54 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.4 CCCCCC(=N)N CBR01197 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.4 CCCCCC(C)Cl CDS000285 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.4 CCCCNC(=S)N S565970 [1,0,0,0,0,0|2,1,0]=4 59 B7R0.4 CCCCSC(=N)N S500534 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.4 CCCCSC(=N)N S557153 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.4 CCCCSC(C)C S570605 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.4 CCCSCC(C)C S547131 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.4 CCOCCC(=N)N PH016244 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.4 CCOCCC(=O)O S448745 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.4 CN(C)CCCCN CDS013751 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.4 COCCCC(C)O S671169 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.4 CSCCOC(=O)C S375721 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.4 N#CCCCC(=O)O CDS007802 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.4 NC(=O)CCCCO S441481 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.4 NC(=O)COCCO S449792 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.4 NCCNCC(=O)O CDS000144 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.4 NCCOCC(=O)O T160229 [1,0,0,0,0,0|3,0,0]=4 77 B9R0.1 C=C(Br)CCCC(=O)OC T287547 [0,1,0,0,0,0|1,0,2]=4 78 B9R0.1 CC(C)CCOC(=O)CCl S431494 [0,1,0,0,0,0|2,0,0]=3 79 B9R0.1 CC(C)CCOC(=O)CS S570311 [0,1,0,0,0,0|2,0,0]=3 80 B9R0.1 CCC(C)CCCC(C)C S765406 [0,1,0,0,0,0|1,0,1]=3 81 B9R0.1 COC(=O)CSCC(=O)C PH010376 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.5 C(=C/C(=O)CCCC#N)\C T270555 [0,1,0,0,0,0|1,0,2]=4 83 B9R0.5 C=CCC(O)CCCCC S417475 [0,1,0,0,0,0|0,0,3]=4 84 B9R0.5 CCCCC/C(=C/C#N)/C PH007331 [0,1,0,0,0,0|1,0,2]=4 85 B9R0.5 CCCCC/C(=C/CO)/I S326747 [0,1,0,0,0,0|1,0,1]=3 86 B9R0.5 CCCCCC(=O)CCC S411825 [0,1,0,0,0,0|0,0,0]=1 87 B9R0.5 CCCCCC(C)CCC S431648 [0,1,0,0,0,0|1,0,1]=3 88 B9R0.5 CCCCCC(C)CCN PH007332 [0,1,0,0,0,0|1,0,1]=3 89 B9R0.5 CCCCNC(=O)CC#N PH010800 [0,1,0,0,0,0|1,0,1]=3 90 B9R0.5 CCCCNC(=O)CCC EME00389 [0,1,0,0,0,0|1,0,0]=2 91 B9R0.5 CCCCNC(=O)CNC CBR01986 [0,1,0,0,0,0|1,0,0]=2 92 B9R0.5 CCCCNC(=O)NCC S802077 [0,1,0,0,0,0|1,0,0]=2 93 B9R0.5 CCCCNC(=O)OCC S406988 [0,1,0,0,0,0|1,0,0]=2 94 B9R0.5 CCCCOC(C)OCC S240214 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.5 CCNC(=O)NCCCO S804738 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.5 CCNC(=O)NCCOC S804746 [0,1,0,0,0,0|2,0,0]=3 97 B9R0.5 CCOC(=O)CCCCI S677175 [0,1,0,0,0,0|1,0,0]=2 98 B9R0.5 CCOC(=O)CCCCN CDS023812 [0,1,0,0,0,0|1,0,0]=2 99 B9R0.5 CCOC(=O)CCN=C=S CDS000897 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.5 CCOC(=O)NCCCBr PH001320 [0,1,0,0,0,0|2,0,0]=3 101 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [0,1,0,0,0,0|1,0,1]=3 102 B9R0.8 CCCCC(=O)C(C)CC S431486 [0,1,0,0,0,0|1,0,2]=4 103 B9R0.8 CCCCC(O)C(C)CC S417467 [0,1,0,0,0,0|1,0,1]=3 104 B9R0.24 CCC(=O)NNC(=O)CC S889598 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.24 CCC(C)C#CC(=O)OC T330019 [0,1,0,0,0,0|1,0,2]=4 106 B9R0.24 CCN(C)CCN(C)CC S388440 [0,1,0,0,0,0|3,0,0]=4 107 B9R0.24 CNC(=O)CCC(=O)NC S374857 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.24 O=C(CCl)OCC(Br)CBr S556394 [0,1,0,0,0,0|3,0,0]=4 109 B9R0.34 C=CC[C@@H](C)CC(=O)OC PH008011 [0,1,0,0,0,0|1,0,2]=4 110 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,1,0,0,0,0|1,0,1]=3 111 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,1,0,0,0,0|3,0,0]=4 112 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [0,1,0,0,0,0|2,0,1]=4 113 B9R0.46 CCCCCNC(=O)CCl S627690 [0,1,0,0,0,0|1,0,0]=2 114 B9R0.46 CCCCOCC(O)CCl R345563 [0,1,0,0,0,0|1,0,2]=4 115 B9R0.46 CCCCOCC(O)CO PH010017 [0,1,0,0,0,0|1,0,2]=4 116 B9R0.46 COC(=O)CCCCCBr S125334 [0,1,0,0,0,0|1,0,0]=2 117 B9R0.46 COCCCNC(=O)CCl PH017216 [0,1,0,0,0,0|2,0,0]=3 118 B9R0.47 CCCCCC(=O)C(C)C S357944 [0,1,0,0,0,0|0,0,0]=1 119 B9R0.47 CCCCCC(O)C(C)C S431656 [0,1,0,0,0,0|0,0,2]=3 120 B9R0.50 CCN(CC)CCCCN CDS000784 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.1 CCC1CCC(CC1)N CDS002619 [0,0,0,1,0,0|1,0,1]=3 122 B9R1.1 CCC1CCC(CC1)O S504939 [0,0,0,1,0,0|0,0,2]=3 123 B9R1.1 CCN1CCC(CC1)C S647713 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.1 CCN1CCC(CC1)O CDS021469 [0,0,0,1,0,0|1,0,2]=4 125 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [0,0,0,1,0,0|0,0,2]=3 126 B9R1.1 CN1CCC(CC1)CCl CBR01527 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.1 CN1CCC(CC1)CN ANV00108 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.1 CN1CCC(CC1)CN CDS006144 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.1 COC1CC=C(CC1)C T196010 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.1 COC1CCC(CC1)N CDS024278 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.1 N#CC1CCC(=O)CC1 CDS023626 [0,0,0,1,0,0|1,0,1]=3 132 B9R1.1 N1CC(CCC1C)CC S361844 [0,0,0,1,0,0|2,0,1]=4 133 B9R1.1 O=C1CCC(CC1)CO CDS017814 [0,0,0,1,0,0|1,0,0]=2 134 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [0,0,0,1,0,0|1,0,2]=4 135 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [0,0,0,1,0,0|1,0,2]=4 136 B9R1.2 C(=O)C1=CC(CCC1)C S895652 [0,0,0,1,0,0|2,0,1]=4 137 B9R1.2 CC1CCCC(C1)CBr CDS021385 [0,0,0,1,0,0|2,0,1]=4 138 B9R1.2 CCN1CCCC(C1)Cl S443654 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.3 CC1=C(CCCC1=O)Cl S884774 [0,0,0,1,0,0|1,0,2]=4 140 B9R1.3 CC1=C(CCCC1=O)O PH001252 [0,0,0,1,0,0|1,0,2]=4 141 B9R1.3 CC1CCCC(=O)C1C CDS023514 [0,0,0,1,0,0|0,0,0]=1 142 B9R1.3 CC1CCCC(C1C)N PH010573 [0,0,0,1,0,0|1,0,1]=3 143 B9R1.3 CC1CCCC(C1N)C PH016106 [0,0,0,1,0,0|2,0,1]=4 144 B9R1.3 O=C1CCCC(=O)C1Br PH009749 [0,0,0,1,0,0|2,0,1]=4 145 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,0,0,1,0,0|2,0,0]=3 146 B9R1.5 O=C1CCCCCC1=O PH003588 [0,0,0,1,0,0|1,0,1]=3 147 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [0,0,0,1,0,0|1,0,2]=4 148 B9R1.7 CCCC1=NNC(=O)C1 PH011118 [0,0,0,1,0,0|2,0,1]=4 149 B9R1.7 CCCN1CCC(C1)N CBR01729 [0,0,0,1,0,0|2,0,1]=4 150 B9R1.11 CCC(=O)C1=CCCC1 T246662 [0,0,0,1,0,0|0,0,2]=3 151 B9R1.11 CCC(=O)C1CCOC1 CDS024301 [0,0,0,1,0,0|1,0,0]=2 152 B9R1.11 CNC(=O)C1CCCN1 CDS023077 [0,0,0,1,0,0|2,0,0]=3 153 B9R1.11 COC(=O)C1CCCN1 CDS003215 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.11 COC(=O)C1CCCN1 CDS004943 [0,0,0,1,0,0|2,0,0]=3 155 B9R1.11 COC(=O)[C@@H]1CCOC1 PHB00042 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.11 NNC(=O)C1CCCC1 CDS005918 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.11 NNC(=O)C1CCCO1 CDS015210 [0,0,0,1,0,0|3,0,0]=4 158 B9R1.11 O=C(CCl)N1CCCC1 OTV000117 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.21 CCN1CCC(C1)CBr CBR01704 [0,0,0,1,0,0|3,0,0]=4 160 B9R1.21 CCN1CCC(C1)CCl CBR00305 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.21 CCN1CCC(C1)CO CBR00419 [0,0,0,1,0,0|3,0,0]=4 162 B9R1.49 C=C1CCCC(CC1)C T170666 [0,0,0,1,0,0|1,0,0]=2 163 B9R1.49 CC1CNC(=O)CCN1 CBR01349 [0,0,0,1,0,0|2,0,0]=3 164 B9R1.49 CN1CCCN(CC1)C S347000 [0,0,0,1,0,0|3,0,0]=4 165 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.49 ClC1CCCC(CC1)Cl T170011 [0,0,0,1,0,0|2,0,1]=4 167 B9R1.50 BrC1CCCCCCC1 PH011377 [0,0,0,1,0,0|1,0,1]=3 168 B9R1.50 O=C1CC=CCCOC1 T168858 [0,0,0,1,0,0|1,0,2]=4 169 B9R1.50 OC1CCCCCOC1 T168815 [0,0,0,1,0,0|1,0,2]=4 170 B9R1.88 C=CC1CC1C(=O)NC T199583 [0,0,0,1,0,0|1,0,2]=4 171 B9R1.88 C=CC1CC1C(=O)NC T199591 [0,0,0,1,0,0|1,0,2]=4 172 B9R1.89 CCC1CCCNCC1 CBR01788 [0,0,0,1,0,0|2,0,1]=4 173 B9R1.89 CCN1CCCNCC1 CBR02337 [0,0,0,1,0,0|3,0,0]=4 174 B9R1.89 CNC1CCCCCC1 CBR00882 [0,0,0,1,0,0|2,0,1]=4 175 B9R1.118 CCC1(CCCCC1)O S408468 [0,0,0,1,0,0|0,0,2]=3 176 B9R1.118 CCC1(CCCNC1)O CBR00014 [0,0,0,1,0,0|1,0,2]=4 177 B9R1.118 CCC1(CCNCC1)C CBR00049 [0,0,0,1,0,0|2,0,1]=4 178 B9R1.118 CC[N+]1(CCCCC1)C S301434 [0,0,0,1,0,0|2,0,0]=3 179 B6R0.6 C=CCSCCC S357391 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|1,0,0]=3 181 B6R0.6 CCCCNC=O S550981 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.6 CCCNCCC R580155 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.6 CCCSCCO S408859 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.6 CCSCCCO PH017932 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.6 COCCCC=O CDS022820 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.6 COCCNC=O PH007296 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.6 FCCCCCBr CBR02103 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.1 CC/C=C(\C)/CC R289574 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.1 CC/C=C(\C)/CC R289582 [2,0,0,0,0,0|1,0,1]=4 190 B6R0.1 CCC(=O)COC CDS024044 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.1 CCC(=O)OCS PH000959 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.1 CCCC(N)CC CBR01120 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.1 CCNC(=O)CBr CBR01984 [2,0,0,0,0,0|2,0,0]=4 194 B6R0.1 CCNC(=O)CCl TMT00299 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.1 CCOC(=O)NC PH010865 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.1 CCSC(=O)CC CDS001498 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.1 CNCC(=O)NC CBR00235 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.1 CNCC(=O)OC PH006931 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.1 [Li]OC(=O)CCC S813958 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.4 CC(=O)NCCCl CDS001220 [2,0,0,0,0,0|2,0,0]=4 201 B6R0.4 CC(=O)OCCS S363049 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.4 CCC#CC(=O)C CDS000006 [2,0,0,0,0,0|0,0,2]=4 203 B6R0.4 CCCC=C(C)C S419117 [2,0,0,0,0,0|1,0,1]=4 204 B6R0.4 CCCCC(=N)N PH017352 [2,0,0,0,0,0|2,0,0]=4 205 B6R0.4 CCCCC(=S)N PH000512 [2,0,0,0,0,0|1,1,0]=4 206 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|1,0,0]=3 207 B6R0.4 CCNCC(=O)N S877379 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.4 CCNCC(=O)N S986194 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|1,0,0]=3 210 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.4 CSCCC(=O)Cl CDS000414 [2,0,0,0,0,0|2,0,0]=4 212 B6R0.4 NC(=O)CCCCl OTV000845 [2,0,0,0,0,0|2,0,0]=4 213 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|2,0,0]=4 214 B8R0.1 C/C=C\C(O)CCCC S364290 [1,1,0,0,0,0|0,0,1]=3 215 B8R0.1 CCCC(O)CCCO S838322 [1,1,0,0,0,0|1,0,1]=4 216 B8R0.1 CCCCC(=O)CCC S456489 [1,1,0,0,0,0|0,0,2]=4 217 B8R0.4 C#CCCCCC=CC T304468 [1,1,0,0,0,0|0,0,2]=4 218 B8R0.4 C(=C/CCCCCO)\C T264652 [1,1,0,0,0,0|0,0,1]=3 219 B8R0.4 C(=C/CCCO)\CCI T166286 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.4 C(=C\CCCO)\CCI T166227 [1,1,0,0,0,0|1,0,1]=4 221 B8R0.4 CC#CCCCCCO T264709 [1,1,0,0,0,0|0,0,2]=4 222 B8R0.4 CCCCCCCSC S570729 [1,1,0,0,0,0|0,0,1]=3 223 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.4 CCCCCSCCO S357928 [1,1,0,0,0,0|1,0,0]=3 225 B8R0.4 CCCCNCCCC S367869 [1,1,0,0,0,0|0,0,1]=3 226 B8R0.4 CCCCNCCCC S503894 [1,1,0,0,0,0|0,0,1]=3 227 B8R0.4 CCCCNCCCC S566152 [1,1,0,0,0,0|0,0,1]=3 228 B8R0.4 CCNCCCCCO PH007898 [1,1,0,0,0,0|1,0,0]=3 229 B8R0.4 COCCCNCCO OTV000453 [1,1,0,0,0,0|2,0,0]=4 230 B8R0.4 CSCCCCCCO S931667 [1,1,0,0,0,0|1,0,1]=4 231 B8R0.4 CSCCCCCSC S375896 [1,1,0,0,0,0|1,0,1]=4 232 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,1,0,0,0,0|0,0,1]=3 233 B8R0.7 CC(=CCCCCBr)C PH009497 [1,1,0,0,0,0|1,0,1]=4 234 B8R0.7 CC(C)CCCCCN CDS001505 [1,1,0,0,0,0|1,0,1]=4 235 B8R0.7 CCCCCCC(C)C S430935 [1,1,0,0,0,0|0,0,1]=3 236 B8R0.7 CCCCCCC(C)Cl S564516 [1,1,0,0,0,0|0,0,1]=3 237 B8R0.7 CCCCSCC(C)C S570567 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,1,0,0,0,0|0,0,0]=2 239 B8R0.3 CCCC(O)C(C)CC S412430 [1,1,0,0,0,0|1,0,1]=4 240 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [1,1,0,0,0,0|1,0,0]=3 241 B8R0.8 CCCCC(=O)N(C)C S939811 [1,1,0,0,0,0|1,0,0]=3 242 B8R0.8 CCCCC(C)C(C)O S374199 [1,1,0,0,0,0|1,0,1]=4 243 B8R0.8 CN(C)C(=O)CCCN CBR00927 [1,1,0,0,0,0|2,0,0]=4 244 B8R0.8 COCCC(=O)C(C)C CDS024032 [1,1,0,0,0,0|1,0,0]=3 245 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [1,1,0,0,0,0|2,0,0]=4 246 B8R0.9 CCC(=O)CCC(=O)O S574090 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.9 CCC(=O)COC(=O)C S362409 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.9 CCC(O)CCC(C)C CDS000278 [1,1,0,0,0,0|0,0,2]=4 249 B8R0.11 CCCCC(CC)CCl S431516 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.11 CCCCC(CC)CN CDS000347 [1,1,0,0,0,0|1,0,1]=4 251 B8R0.19 CCC(C)CC(O)CC S430854 [1,1,0,0,0,0|0,0,2]=4 252 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [1,1,0,0,0,0|2,0,0]=4 253 B8R0.19 CCC(C)NC(=O)NC S724750 [1,1,0,0,0,0|2,0,0]=4 254 B8R0.25 CCCCC(C)(O)CC S433217 [1,1,0,0,0,0|0,0,2]=4 255 B8R0.25 CCCCS(=O)(=O)CC S775738 [1,1,0,0,0,0|1,0,0]=3 256 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,1,0,0,0,0|0,0,1]=3 257 B8R0.5 CCCC(N)CC(=O)O BBO000362 [1,1,0,0,0,0|1,0,0]=3 258 B8R0.5 CCOC(=O)CC(=O)C S813079 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.21 CCCCCC(C)(C)O S431567 [1,1,0,0,0,0|0,0,2]=4 260 B8R0.21 CCCCCS(=O)(=O)O PH018433 [1,1,0,0,0,0|2,0,0]=4 261 B8R0.21 CCCCC[Si](C)(Cl)Cl S584622 [1,1,0,0,0,0|1,1,0]=4 262 B8R0.21 CCCCOS(=O)(=O)C CDS014297 [1,1,0,0,0,0|2,0,0]=4 263 B8R0.28 C=C(C)CCOC(=O)C S881171 [1,1,0,0,0,0|1,0,1]=4 264 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [1,1,0,0,0,0|1,0,1]=4 265 B8R0.28 CC(=O)CCCC(=O)N PH008391 [1,1,0,0,0,0|1,0,1]=4 266 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|0,0,0]=2 267 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,1,0,0,0,0|1,0,0]=3 268 B8R0.28 CC(=O)CCC[N+](=O)[O-] S885983 [1,1,0,0,0,0|2,0,0]=4 269 B8R0.28 CC(=O)CCOC(=O)C PH003361 [1,1,0,0,0,0|1,0,1]=4 270 B8R0.28 CC(=O)COCC(=O)C S38912 [1,1,0,0,0,0|1,0,1]=4 271 B8R0.28 CC(=O)CSCC(C)C EME00074 [1,1,0,0,0,0|1,0,0]=3 272 B8R0.28 CC(=O)OCCN(C)C PH011981 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,1,0,0,0,0|1,0,0]=3 274 B8R0.28 CC(C)COCC(=O)O CDS014100 [1,1,0,0,0,0|2,0,0]=4 275 B8R0.28 CC(C)NCCC(=O)N CDS021106 [1,1,0,0,0,0|2,0,0]=4 276 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [1,1,0,0,0,0|1,0,1]=4 277 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [0,2,0,0,0,0|1,0,1]=4 278 B10R0.3 CCOC(=O)CCCN(C)C PH002341 [0,2,0,0,0,0|1,0,0]=3 279 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] PH017280 [0,2,0,0,0,0|2,0,0]=4 280 B10R0.3 CCOC(=O)COCC(C)C T332593 [0,2,0,0,0,0|1,0,0]=3 281 B10R0.57 CCC(=O)/C(=C/CC(C)C)/C S84566 [0,2,0,0,0,0|0,0,2]=4 282 B10R0.60 CCC(=O)OCC[N+](C)(C)C S442631 [0,2,0,0,0,0|2,0,0]=4 283 B10R0.60 CNC(=O)CCNC(C)(C)C PH012675 [0,2,0,0,0,0|2,0,0]=4 284 B10R0.77 CCN(CC)CCCC(C)O R750255 [0,2,0,0,0,0|2,0,0]=4 285 B10R0.82 CC(O)C(=O)OCC(O)CO PH007087 [0,2,0,0,0,0|2,0,0]=4 286 B10R0.98 CC(C)CCOC(=O)C(C)O PH011490 [0,2,0,0,0,0|1,0,0]=3 287 B10R0.1 CCCCCOC(=O)CC#N S549703 [0,2,0,0,0,0|0,0,1]=3 288 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,2,0,0,0,0|0,0,0]=2 289 B10R0.1 CCOC(=O)CCC/C=N/O T240745 [0,2,0,0,0,0|1,0,1]=4 290 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [0,2,0,0,0,0|0,0,0]=2 291 B10R0.2 CCNC(=O)CC(=O)NCC TMT00065 [0,2,0,0,0,0|1,0,1]=4 292 B10R0.2 CCOC(=O)CC(=S)OCC S664936 [0,2,0,0,0,0|1,0,1]=4 293 B10R0.2 CCOC(=O)CC(O)COC S877271 [0,2,0,0,0,0|1,0,0]=3 294 B10R0.2 CNCC(=O)NC(C)COC PH014808 [0,2,0,0,0,0|2,0,0]=4 295 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [0,2,0,0,0,0|0,0,1]=3 296 B10R0.6 CCCCCC(C)NC(C)C PH013772 [0,2,0,0,0,0|1,0,1]=4 297 B10R0.6 CCCCCC(O)CC(C)C S417432 [0,2,0,0,0,0|0,0,2]=4 298 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [0,2,0,0,0,0|1,0,0]=3 299 B10R0.83 CCCCCC(O)C(C)CC S417440 [0,2,0,0,0,0|0,0,2]=4 300 B10R0.83 CCCCNC(=O)C(Br)CC PH015166 [0,2,0,0,0,0|1,0,0]=3 301 B10R0.83 COC(=O)C(Br)CCCCBr S943185 [0,2,0,0,0,0|1,0,0]=3 302 B10R0.91 C=CCNC(=O)NCCCC S607363 [0,2,0,0,0,0|1,0,1]=4 303 B10R0.91 CCCCNC(=O)CNCC PH014734 [0,2,0,0,0,0|1,0,0]=3 304 B10R0.91 CCCCNC(=O)OCCI PH005343 [0,2,0,0,0,0|1,0,0]=3 305 B10R0.91 CCCCOC(=O)CCCN T160474 [0,2,0,0,0,0|1,0,0]=3 306 B10R0.91 CCNCC(=O)NCCOC PH014802 [0,2,0,0,0,0|2,0,0]=4 307 B10R0.108 CCCC(=O)OCC(O)CO CDS003526 [0,2,0,0,0,0|2,0,0]=4 308 B10R0.156 CCCCCC(C)(O)CCC S417459 [0,2,0,0,0,0|0,0,2]=4 309 B10R0.156 CCCCCS(=O)(=O)CCCl R395382 [0,2,0,0,0,0|1,0,0]=3 310 B10R0.35 CCCC(C)C(O)C(C)CC S505005 [0,2,0,0,0,0|1,0,1]=4 311 B10R0.85 CCCCN(CC)C(=O)CCl PH010558 [0,2,0,0,0,0|2,0,0]=4 312 B10R0.115 CCC(C)CCC(C)(O)CC S563048 [0,2,0,0,0,0|0,0,2]=4 313 B10R0.45 CCC(O)CCC(CC)CC S374172 [0,2,0,0,0,0|0,0,2]=4 314 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,2,0,0,0,0|0,0,2]=4 315 B10R0.55 COC(=O)CNCCN(C)C CDS023468 [0,2,0,0,0,0|2,0,0]=4 316 B10R0.74 CCCCCC#CC(=O)CC S128325 [0,2,0,0,0,0|0,0,0]=2 317 B10R0.74 CCCCCCCC(=O)CC S544043 [0,2,0,0,0,0|0,0,0]=2 318 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,2,0,0,0,0|2,0,0]=4 319 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,2,0,0,0,0|2,0,0]=4 320 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,2,0,0,0,0|0,0,2]=4 321 B10R0.74 CCCCCCNC(=O)NC S892793 [0,2,0,0,0,0|1,0,0]=3 322 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,2,0,0,0,0|1,0,0]=3 323 B10R0.75 CCCCCCC(=O)C(C)C S350575 [0,2,0,0,0,0|0,0,0]=2 324 B10R0.75 CCCCCCC(O)C(C)C S417424 [0,2,0,0,0,0|0,0,2]=4 325 B10R0.75 CCOCCOC(=O)C(C)C R278068 [0,2,0,0,0,0|1,0,0]=3 326 B10R0.5 CCCCCC(O)C(C)(C)C S412015 [0,2,0,0,0,0|0,0,2]=4 327 B8R1.2 BrCC1CCOCC1 CDS013754 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.2 CCC1=NCCCS1 PH008217 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.2 CNC1CCOCC1 CDS001741 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.2 COC1CC=CCC1 PH007914 [1,0,0,1,0,0|1,0,1]=4 331 B8R1.2 NCC1=CCCCC1 CBR00863 [1,0,0,1,0,0|1,0,1]=4 332 B8R1.2 NCC1CCOCC1 CDS003651 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.2 SCC1CCCCC1 CDS020661 [1,0,0,1,0,0|1,0,1]=4 334 B8R1.2 SCN1CCCCC1 S302953 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|0,0,1]=3 336 B8R1.8 CCNC1CCCC1 CBR00868 [1,0,0,1,0,0|1,0,0]=3 337 B8R1.8 CCOC1CCNC1 CDS023169 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.8 CNCC1CCOC1 CBR01975 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.8 NCCC1CCCC1 CDS008185 [1,0,0,1,0,0|1,0,1]=4 340 B8R1.8 NCCC1CCCC1 T175072 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.22 CC1CCCCCO1 T168866 [1,0,0,1,0,0|1,0,0]=3 342 B8R1.22 OC1CCCCCO1 S866032 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.49 C1=CCOCCCC1 T177512 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.1 CCC1CCC(C1)C R289752 [1,0,0,1,0,0|1,0,1]=4 345 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|1,0,0]=3 346 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.1 O=C1CC(CN1)CO CDS002555 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.1 O=C1CCC(O1)CCl PH010125 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.3 CC1CCC(CC1)Br CDS001451 [1,0,0,1,0,0|1,0,1]=4 351 B8R1.3 CC1CCC(CC1)N T138053 [1,0,0,1,0,0|1,0,1]=4 352 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [1,0,0,1,0,0|1,0,1]=4 353 B8R1.3 NC1CCC(=O)CC1 CDS009700 [1,0,0,1,0,0|1,0,0]=3 354 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.3 O=C1CCC(CC1)O T292184 [1,0,0,1,0,0|1,0,0]=3 356 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.38 COC(=O)C1CCC1 S851957 [1,0,0,1,0,0|1,0,0]=3 358 B8R1.38 COC(=O)C1CNC1 CDS005119 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.38 NNC(=O)C1CCC1 CBR00212 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.40 NCC(=O)NC1CC1 CBR00910 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [1,0,0,1,0,0|0,0,2]=4 362 B8R1.83 COC(=O)C1CC1C EME00059 [1,0,0,1,0,0|1,0,0]=3 363 B8R1.4 CC1=CCCC(=O)C1 PH000095 [1,0,0,1,0,0|0,0,2]=4 364 B8R1.4 CC1CCCC(C1)N CDS007614 [1,0,0,1,0,0|1,0,1]=4 365 B8R1.4 CC1CCCC(C1)S CDS023316 [1,0,0,1,0,0|0,1,1]=4 366 B8R1.4 N1C(CCCC1C)C S379425 [1,0,0,1,0,0|1,0,1]=4 367 B8R1.4 N1C(CCCC1C)C S379727 [1,0,0,1,0,0|1,0,1]=4 368 B8R1.4 NC1CCNC(=O)C1 CDS024233 [1,0,0,1,0,0|2,0,0]=4 369 B8R1.7 CC(C)C1CCCC1 R289671 [1,0,0,1,0,0|1,0,1]=4 370 B8R1.7 NC(=O)C1CCCC1 EME00440 [1,0,0,1,0,0|1,0,0]=3 371 B8R1.7 NC(=O)C1CCCN1 CDS008010 [1,0,0,1,0,0|2,0,0]=4 372 B8R1.7 O=C(O)C1CCNC1 CDS007406 [1,0,0,1,0,0|2,0,0]=4 373 B8R1.19 CC1CCCS1(=O)=O S566659 [1,0,0,1,0,0|2,0,0]=4 374 B8R1.34 O=C(O)CC1CNC1 PHB00031 [1,0,0,1,0,0|2,0,0]=4 375 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [1,0,0,1,0,0|2,0,0]=4 376 B8R1.72 C[N+]1(CCCCC1)C S347310 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.72 C[Si]1(CCCCC1)C S584983 [1,0,0,1,0,0|1,1,0]=4 378 B10R1.13 CC(C)C1=CCC(=O)CC1 T203416 [0,1,0,1,0,0|0,0,2]=4 379 B10R1.13 CC(C)N1CCC(=O)CC1 S563617 [0,1,0,1,0,0|1,0,0]=3 380 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 T295736 [0,1,0,1,0,0|1,0,0]=3 381 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [0,1,0,1,0,0|1,0,1]=4 382 B10R1.13 CN(C)N1CCC(=O)CC1 CBR01632 [0,1,0,1,0,0|2,0,0]=4 383 B10R1.14 CCC(=O)N1CCC(C1)O CDS024255 [0,1,0,1,0,0|1,0,0]=3 384 B10R1.14 COC(=O)C1CCC(=O)C1 SYX00133 [0,1,0,1,0,0|1,0,1]=4 385 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)F OMC00007 [0,1,0,1,0,0|2,0,0]=4 386 B10R1.194 CC1C(=O)CCC1C(=O)O PH018686 [0,1,0,1,0,0|1,0,1]=4 387 B10R1.277 CC1CCCC(=O)CC1=O T271306 [0,1,0,1,0,0|0,0,1]=3 388 B10R1.302 CC1(CC=CC(=O)CC1)C T202908 [0,1,0,1,0,0|0,0,2]=4 389 B10R1.302 C[N+]1(CCNC(=O)CC1)C T281166 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.302 O=C1CCCS(=O)(=O)CC1 T318825 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,1,0,1,0,0|1,0,0]=3 392 B10R1.11 CCOC(=O)C1=CCCC1 S942871 [0,1,0,1,0,0|0,0,2]=4 393 B10R1.11 N#CCC(=O)N1CCCC1 S458422 [0,1,0,1,0,0|1,0,1]=4 394 B10R1.21 CCCCCC1=NCCS1 PH008239 [0,1,0,1,0,0|0,1,0]=3 395 B10R1.29 CCCCN1CCCC1=O S434221 [0,1,0,1,0,0|1,0,0]=3 396 B10R1.29 CCCCN1CCSC1=S PH006995 [0,1,0,1,0,0|1,1,0]=4 397 B10R1.78 CC1CCCCCCCC1 T187364 [0,1,0,1,0,0|1,0,1]=4 398 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,1,0,1,0,0|0,0,1]=3 399 B10R1.85 CCNC1CCCCCC1 CBR00395 [0,1,0,1,0,0|1,0,1]=4 400 B10R1.85 ClCCN1CCCCCC1 CDS001460 [0,1,0,1,0,0|2,0,0]=4 401 B10R1.85 NCCC1CCCCCC1 CBR01497 [0,1,0,1,0,0|1,0,1]=4 402 B10R1.85 OCCN1CCCCCC1 S362328 [0,1,0,1,0,0|2,0,0]=4 403 B10R1.138 CNCC(=O)NCC1CC1 PH017398 [0,1,0,1,0,0|1,0,0]=3 404 B10R1.7 BrC1CCCCCCC1Br S39072 [0,1,0,1,0,0|1,0,1]=4 405 B10R1.7 BrC1CCCCCCC1Br S509000 [0,1,0,1,0,0|1,0,1]=4 406 B10R1.7 C=C1CCCCCCC1O T181676 [0,1,0,1,0,0|1,0,0]=3 407 B10R1.7 C=C1CCCCCCC1O T232742 [0,1,0,1,0,0|1,0,0]=3 408 B10R1.7 CC1CCCCCCC1=O S53075 [0,1,0,1,0,0|0,0,0]=2 409 B10R1.15 CCC(=O)C1CCCNC1 CBR01650 [0,1,0,1,0,0|0,0,0]=2 410 B10R1.15 CCC(=O)N1CCNCC1 CDS004028 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.15 CCC(O)C1CCCCC1 PH000035 [0,1,0,1,0,0|0,0,2]=4 412 B10R1.15 CCC(O)C1CCNCC1 CBR00138 [0,1,0,1,0,0|0,0,2]=4 413 B10R1.15 CNC(=O)C1CCCNC1 CBR00913 [0,1,0,1,0,0|1,0,0]=3 414 B10R1.15 CNC(=O)C1CCCNC1 CDS017102 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.15 CNC(=O)N1CCCCC1 S379557 [0,1,0,1,0,0|1,0,0]=3 416 B10R1.15 CNC(=S)N1CCCCC1 TMT00166 [0,1,0,1,0,0|1,1,0]=4 417 B10R1.15 COC(=O)C1CC=CCC1 EME00035 [0,1,0,1,0,0|1,0,1]=4 418 B10R1.15 COC(=O)C1CNCCO1 CDS024237 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.15 COC(=O)N1CCNCC1 CDS013607 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.15 COC(=O)[C@@H]1CCCNC1 CDS019515 [0,1,0,1,0,0|1,0,0]=3 421 B10R1.15 NCC(=O)N1CCCCC1 CDS002437 [0,1,0,1,0,0|1,0,0]=3 422 B10R1.15 NNC(=O)C1CCCCC1 R703435 [0,1,0,1,0,0|2,0,0]=4 423 B10R1.15 O=C(CBr)N1CCCCC1 CBR00242 [0,1,0,1,0,0|1,0,0]=3 424 B10R1.15 O=C(CI)N1CCCCC1 PH006191 [0,1,0,1,0,0|1,0,0]=3 425 B10R1.94 CCCC1=C(C(=O)CC1)Br PH015992 [0,1,0,1,0,0|0,0,2]=4 426 B10R1.94 CCCC1=C(C(=O)CC1)O PH008317 [0,1,0,1,0,0|0,0,2]=4 427 B10R1.176 CCC1CCC(=O)C(=O)C1 PH008686 [0,1,0,1,0,0|0,0,1]=3 428 B10R1.182 COC(=O)C(N)C1COC1 SYX00444 [0,1,0,1,0,0|2,0,0]=4 429 B10R1.275 CN1CCCC[C@@H](C1=O)N CDS014105 [0,1,0,1,0,0|1,0,0]=3 430 B10R1.275 O=C1C(CCCCC1Br)Br S330213 [0,1,0,1,0,0|1,0,0]=3 431 B10R1.332 CN1CCC(=O)CCC1=O PH018619 [0,1,0,1,0,0|1,0,1]=4 432 B10R1.411 COC(=O)C1(CCCC1)N PH010854 [0,1,0,1,0,0|1,0,0]=3 433 B10R1.95 CCNC1CCS(=O)(=O)C1 CBR00799 [0,1,0,1,0,0|2,0,0]=4 434 B10R1.95 CC[NH2+]C1CCS(=O)(=O)C1 S62287 [0,1,0,1,0,0|2,0,0]=4 435 B10R1.95 O=S1(=O)CCC(C1)CCBr CBR01785 [0,1,0,1,0,0|2,0,0]=4 436 B10R1.300 O=C1NCCCCC1(Br)Br S871486 [0,1,0,1,0,0|2,0,0]=4 437 B10R1.300 O=C1NCCCCC1(Cl)Cl R429457 [0,1,0,1,0,0|2,0,0]=4 438 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,1,0,1,0,0|0,0,1]=3 439 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [0,1,0,1,0,0|1,0,0]=3 440 B10R1.27 NNC(=O)CN1CCCC1 CBR01278 [0,1,0,1,0,0|2,0,0]=4 441 B10R1.27 NNC(=O)CN1CCCC1 PH017245 [0,1,0,1,0,0|2,0,0]=4 442 B10R1.131 CCCC1OC(=O)C(O1)C S397873 [0,1,0,1,0,0|1,0,0]=3 443 B10R1.131 CNCC1CC(=O)N(C1)C CBR01734 [0,1,0,1,0,0|2,0,0]=4 444 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N BBO000403 [0,1,0,1,0,0|1,0,0]=3 445 B10R1.162 COC1=NC(CCCC1)C PH007837 [0,1,0,1,0,0|2,0,0]=4 446 B10R1.1 C#CCN1CCC(=O)CC1 CBR02098 [0,1,0,1,0,0|0,0,2]=4 447 B10R1.1 C=CCN1CCC(=O)CC1 CDS014282 [0,1,0,1,0,0|0,0,2]=4 448 B10R1.1 CCCN1CCC(CC1)C S647748 [0,1,0,1,0,0|1,0,1]=4 449 B10R1.1 CCCN1CCC(CC1)N CDS003686 [0,1,0,1,0,0|1,0,1]=4 450 B10R1.1 CCCN1CCC(CC1)O CDS023463 [0,1,0,1,0,0|0,0,2]=4 451 B10R1.1 CCOC1CCC(=O)CC1 MNO000113 [0,1,0,1,0,0|0,0,0]=2 452 B10R1.1 CN1CCC(CC1)CCN CDS022275 [0,1,0,1,0,0|2,0,0]=4 453 B10R1.2 CC1CCC/C(=C\O)/C1=O T219460 [0,1,0,1,0,0|1,0,1]=4 454 B10R1.2 CCN1CCNC(C1=O)C CBR00710 [0,1,0,1,0,0|2,0,0]=4 455 B10R1.16 C=CCCC1CCC(=O)C1 T221252 [0,1,0,1,0,0|0,0,1]=3 456 B10R1.172 CCC1CCCC(N1)CC PH013114 [0,1,0,1,0,0|1,0,1]=4 457 B10R1.172 CCN1CCCC(C1)CN PH009880 [0,1,0,1,0,0|2,0,0]=4 458 B10R1.23 CC(O)C(=O)N1CCCC1 PH010531 [0,1,0,1,0,0|1,0,0]=3 459 B10R1.23 CN(C)C(=O)C1CCCN1 CDS012608 [0,1,0,1,0,0|2,0,0]=4 460 B10R1.114 CC1(C(=O)CCCC1=O)C PHB00189 [0,1,0,1,0,0|1,0,1]=4 461 B10R2.178 O=C1C=CC2CCC1C2 T188239 [0,0,0,2,0,0|0,0,2]=4 462 B10R2.178 O=C1NCC2CCC1C2 T298905 [0,0,0,2,0,0|1,0,0]=3 463 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|0,0,0]=2 464 B10R2.99 CCC1CC2CCC1C2 R289833 [0,0,0,2,0,0|1,0,1]=4 465 B10R2.25 CC1C2CCC(C2)C1N T282251 [0,0,0,2,0,0|1,0,1]=4 466 B10R2.65 CC12CC1CCCC2=O T180947 [0,0,0,2,0,0|0,0,0]=2 467 B10R2.65 CC1=CCCC2C1(C2)C T180890 [0,0,0,2,0,0|1,0,1]=4 468 B10R2.179 CC12CCCC(=O)C1C2 T179531 [0,0,0,2,0,0|0,0,0]=2 469 B10R2.179 CC1CCCC2(C1C2)C T180742 [0,0,0,2,0,0|1,0,1]=4 470 B10R2.179 [C@H]1(CCCC2(C1C2)C)O T179604 [0,0,0,2,0,0|0,0,2]=4 471 B10R2.179 [C@H]1(CCCC2(C1C2)C)O T180033 [0,0,0,2,0,0|0,0,2]=4 472 B10R2.32 BrC1=C2CCCC2CC1 T219266 [0,0,0,2,0,0|1,0,1]=4 473 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,2,0,0|0,0,0]=2 474 B10R2.32 [C@@H]12CCC[C@@H]1[C@@H](CC2)O T262935 [0,0,0,2,0,0|0,0,2]=4 475 B10R2.32 [C@H]12CCC[C@H]1[C@H](CC2)O T292788 [0,0,0,2,0,0|0,0,2]=4 476 B10R2.64 [C@H]12C=C(C[C@H]1C(=O)C2)C T227846 [0,0,0,2,0,0|0,0,2]=4 477 B10R2.16 NC1(CC1)C2CCCC2 CBR00892 [0,0,0,2,0,0|1,0,1]=4 478 B10R2.37 [C@@H]12C=CC(=O)CC[C@@H]1C2 T169374 [0,0,0,2,0,0|0,0,2]=4 479 B10R2.37 [C@@H]12CCC(=O)CC[C@@H]1C2 T181390 [0,0,0,2,0,0|0,0,0]=2 480 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,2,0,0|1,0,0]=3