0 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.1 C/C=C\C(O)CCCC S364290 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.1 CC=CC(=O)NCCC T173770 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.1 CCCCC(=O)CCC S456489 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.1 CCCNC(=O)NCC S805858 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.1 CCCNC(=O)OCC S361909 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.1 CCOC(=O)CCC#N PH003642 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.1 CCOC(=O)CCOC CDS025273 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.1 CCOC(=O)NCCO S391980 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 C/C=C\CCCCO S310700 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.1 CCCCSCCC S367192 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.1 CCOC/C=C/C#N PH001325 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 COCC/C=C/CCl S359556 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 C(=O)C(=C)CCCC R425885 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.3 C=C(CC)CCCC CDS000215 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.3 C=CCOC(=O)C=C S459836 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.3 CCC#CC(=O)OC T242845 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.3 CCCCC(N)CC CDS021471 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.3 CCCNC(=O)CCl OTV000047 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.3 CCCNC(=S)NC S512176 [1,0,0,0,0,0|2,1,0]=4 20 B7R0.3 CCCOC(=O)CBr PH011324 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.3 CCCOC(=O)CCl S431443 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.3 CCCOC(=O)CN PH019063 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.3 CCOCC(=O)OC EME00071 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.3 CCSCS(=O)CC S697834 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 CNC(=O)OCCCl L163082 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.3 CNC(=O)OCCO S392650 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.3 CNCCC(=O)NC CBR01261 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.3 COC(=O)CCC#N S369640 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.3 COCCC(=O)NN CDS018970 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.3 NNC(=O)CCCO CDS001562 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.7 C/C=C/C(O)CCC S417386 [1,0,0,0,0,0|0,0,2]=3 32 B7R0.7 CCC/C(=C/C#N)/C PH010112 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.7 CCCS(=O)CCC S440973 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.7 CCOC(=O)CCI T255378 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.7 CCOC(=O)CNC PH000310 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.7 CCOC(=O)NNC PH007943 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.7 CCOC(=O)NOC PH005154 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.7 CCSC(=O)SCC S189634 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.4 CC(=O)CC(=O)OCCCl PH003373 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,1,0,0,0,0|0,0,1]=2 41 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,1,0,0,0,0|0,0,1]=2 42 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,1,0,0,0,0|1,0,1]=3 43 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,1,0,0,0,0|1,0,1]=3 44 B9R0.5 C(=C/C(=O)CCCC#N)\C T270555 [0,1,0,0,0,0|0,0,1]=2 45 B9R0.5 CCCCC/C(=C/C#N)/C PH007331 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.5 CCCCC/C(=C/CO)/I S326747 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.5 CCCCCC(=O)CCC S411825 [0,1,0,0,0,0|0,0,2]=3 48 B9R0.5 CCCCNC(=O)CC#N PH010800 [0,1,0,0,0,0|1,0,2]=4 49 B9R0.5 CCCCNC(=O)CCC EME00389 [0,1,0,0,0,0|0,0,2]=3 50 B9R0.5 CCCCNC(=O)CNC CBR01986 [0,1,0,0,0,0|1,0,1]=3 51 B9R0.5 CCCCNC(=O)NCC S802077 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.5 CCCCNC(=O)OCC S406988 [0,1,0,0,0,0|1,0,1]=3 53 B9R0.5 CCNC(=O)NCCCO S804738 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.5 CCNC(=O)NCCOC S804746 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.5 CCOC(=O)CCCCI S677175 [0,1,0,0,0,0|1,0,1]=3 56 B9R0.5 CCOC(=O)CCCCN CDS023812 [0,1,0,0,0,0|1,0,1]=3 57 B9R0.5 CCOC(=O)NCCCBr PH001320 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [0,1,0,0,0,0|1,0,2]=4 59 B9R0.8 CCCCC(=O)C(C)CC S431486 [0,1,0,0,0,0|0,0,2]=3 60 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [0,1,0,0,0,0|1,0,2]=4 61 B9R0.18 O=C(CCCO)NCCO PH008175 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.18 [NH2+](CC)CC(=O)OCC=C R240648 [0,1,0,0,0,0|1,0,2]=4 63 B9R0.35 CCCC(=O)C(O)CCC S705500 [0,1,0,0,0,0|0,0,2]=3 64 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,1,0,0,0,0|1,0,1]=3 65 B9R0.40 CC=C/C(=N/CCC)/OC T173797 [0,1,0,0,0,0|1,0,1]=3 66 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.7 C/C=C\C1OCC(O1)C S427772 [0,0,0,1,0,0|1,0,2]=4 68 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,0,0,1,0,0|0,0,2]=3 69 B9R1.12 CCCCC1=CC=CS1 CDS001487 [0,0,0,1,0,0|0,1,1]=3 70 B9R1.12 CCCCC1=NCCS1 PH008233 [0,0,0,1,0,0|1,1,1]=4 71 B9R1.12 NCCCC1=CC=CO1 CBR00236 [0,0,0,1,0,0|1,0,2]=4 72 B9R1.15 N#CC1=C(CCCC1)Cl T300225 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.15 NCC1=C(CCCC1)Cl T162965 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.22 CCC1CC(=O)NN1C PH013333 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.22 CCN1N=C(C=C1C)N CBR00033 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.22 CNC1CC(=O)NC1=O PH018276 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,0,0,1,0,0|1,0,1]=3 78 B9R1.49 C=C1CCCC(CC1)C T170666 [0,0,0,1,0,0|1,0,2]=4 79 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.50 O=C1C=CCCC=CC1 T182001 [0,0,0,1,0,0|0,0,2]=3 81 B9R1.50 O=C1C=CCCCC=C1 T168912 [0,0,0,1,0,0|0,0,2]=3 82 B9R1.50 O=C1CC=CCCOC1 T168858 [0,0,0,1,0,0|1,0,2]=4 83 B9R1.69 CC1CNC(=O)NC1=O S412295 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.69 CN1CCC(=O)NC1=S S859176 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.90 CCC1NC(=O)C1CC T173827 [0,0,0,1,0,0|1,0,2]=4 86 B9R1.183 C(=C/[C@H](O)[C@@H]1O[C@H]1C)\C T262722 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.183 CCOC(=O)C1CC1C R425907 [0,0,0,1,0,0|1,0,1]=3 88 B9R1.183 CCOC(=O)C1OC1C S462349 [0,0,0,1,0,0|2,0,1]=4 89 B6R0.6 C=C=CCCCO CVT00100 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.6 C=CCSCCC S357391 [2,0,0,0,0,0|1,0,1]=4 91 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.6 CCCCNC=O S550981 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.1 C/C=C/[C@H](C)CC R289493 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.1 C/C=C\C(C)CC R289485 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.1 CC/C=C(\C)/CC R289574 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.1 CC/C=C(\C)/CC R289582 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.1 CCC(=O)COC CDS024044 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.1 CCOC(=O)NC PH010865 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.1 CCSC(=O)CC CDS001498 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.1 CNCC(=O)NC CBR00235 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.1 CNCC(=O)OC PH006931 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.1 COC(=O)/C=C\I SYX00331 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.1 [Li]OC(=O)CCC S813958 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.4 C=C(Br)CCCO T297658 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.4 CC(=O)NCCCl CDS001220 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.4 CC(=O)OCCS S363049 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.4 CCC#CC(=O)C CDS000006 [2,0,0,0,0,0|0,0,2]=4 108 B6R0.4 CCCC=C(C)C S419117 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.4 CCCCC(=N)N PH017352 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.4 CCCCC(=S)N PH000512 [2,0,0,0,0,0|1,1,0]=4 111 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.4 CCNCC(=O)N S877379 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.4 CCNCC(=O)N S986194 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.4 CSCCC(=O)Cl CDS000414 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 NC(=O)CCCCl OTV000845 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|2,0,0]=4 119 B8R0.4 C#CCCCCC=CC T304468 [1,1,0,0,0,0|0,0,2]=4 120 B8R0.4 C(=C/CCCCCO)\C T264652 [1,1,0,0,0,0|0,0,1]=3 121 B8R0.4 C(=C/CCCO)\CCI T166286 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.4 C(=C\CCCO)\CCI T166227 [1,1,0,0,0,0|1,0,1]=4 123 B8R0.6 C=CC(=O)OCCCC S444715 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.6 CCC/C=C/C(=O)OC R436038 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.6 CCCCCC(=O)SC CDS010601 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.6 CCCCNC(=O)OC S352683 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.7 CC(=CCCCCBr)C PH009497 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.7 CCCC[Hg]OC(=O)C S814512 [1,1,0,0,0,0|2,0,0]=4 129 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,1,0,0,0,0|0,0,1]=3 130 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [1,1,0,0,0,0|1,0,0]=3 131 B8R0.8 CCCCC(=O)N(C)C S939811 [1,1,0,0,0,0|1,0,0]=3 132 B8R0.8 CN(C)C(=O)CCCN CBR00927 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.8 COCCC(=O)C(C)C CDS024032 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.9 C=CC(=O)OCC(C)O S511951 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.19 CCC(C)NC(=O)NC S724750 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.25 CCCCS(=O)(=O)CC S775738 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.5 C(=C/[C@H](O)C[C@H](C)O)\C T262730 [1,1,0,0,0,0|0,0,2]=4 138 B8R0.5 C/C=C/C(=O)NC(C)C PH006962 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,1,0,0,0,0|0,0,1]=3 141 B8R0.5 CCOC(=O)CC(=O)C S813079 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.5 CCOC(=O)NC(=O)C S357308 [1,1,0,0,0,0|2,0,0]=4 143 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [0,2,0,0,0,0|0,0,0]=2 144 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [0,2,0,0,0,0|0,0,1]=3 145 B10R0.6 COCCOC(=O)C=C(C)C S240443 [0,2,0,0,0,0|1,0,0]=3 146 B10R0.32 CCOC(=O)C(N)CC(C)C S846015 [0,2,0,0,0,0|1,0,1]=4 147 B10R0.32 CCOC(=O)C(O)CC(C)C CDS000270 [0,2,0,0,0,0|1,0,1]=4 148 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC S598895 [0,2,0,0,0,0|1,0,1]=4 149 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,2,0,0,0,0|1,0,1]=4 150 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [0,2,0,0,0,0|1,0,1]=4 151 B10R0.2 CCOC(=O)CC(O)COC S877271 [0,2,0,0,0,0|1,0,1]=4 152 B10R0.3 CCOC(=O)CCCN(C)C PH002341 [0,2,0,0,0,0|1,0,1]=4 153 B10R0.3 CCOC(=O)COCC(C)C T332593 [0,2,0,0,0,0|1,0,1]=4 154 B10R0.83 CCCCNC(=O)C(Br)CC PH015166 [0,2,0,0,0,0|0,0,2]=4 155 B10R0.91 C=CCNC(=O)NCCCC S607363 [0,2,0,0,0,0|0,0,2]=4 156 B10R0.91 CCCCNC(=O)CNCC PH014734 [0,2,0,0,0,0|0,0,2]=4 157 B10R0.91 CCCCNC(=O)OCCI PH005343 [0,2,0,0,0,0|1,0,1]=4 158 B10R0.91 CCCCOC(=O)CCCN T160474 [0,2,0,0,0,0|0,0,2]=4 159 B10R0.35 CCCC(C)C(=O)C(C)CC S504696 [0,2,0,0,0,0|0,0,2]=4 160 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC CDS021429 [0,2,0,0,0,0|1,0,1]=4 161 B10R0.78 CCCNC(=O)/C=C/C(=O)O S618845 [0,2,0,0,0,0|1,0,1]=4 162 B10R0.26 CCOC(=O)CC(N)C(C)C CBR00804 [0,2,0,0,0,0|1,0,1]=4 163 B10R0.33 CCCC(CN)C(=O)OCC PH015720 [0,2,0,0,0,0|1,0,1]=4 164 B8R1.2 COC1CC=CCC1 PH007914 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.2 NCC1=CCCCC1 CBR00863 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.8 C(=C1CCCC1)C#N T175536 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|0,0,1]=3 168 B8R1.8 CCCN1C=CC=C1 PH010280 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.11 CC1CCC=C1C#N T238554 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.49 C1=CCOCCCC1 T177512 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|1,0,0]=3 172 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.1 O=C1CC(CN1)CO CDS002555 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.3 CC1=CCC(CC1)Cl S109576 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.3 NC1CCC(=O)CC1 CDS009700 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.3 O=C1CCC(CC1)O T292184 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.38 COC(=O)C1CCC1 S851957 [1,0,0,1,0,0|1,0,0]=3 180 B8R1.38 COC(=O)C1CNC1 CDS005119 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.38 NNC(=O)C1CCC1 CBR00212 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.83 COC(=O)C1CC1C EME00059 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.4 CC1=CCCC(=O)C1 PH000095 [1,0,0,1,0,0|0,0,2]=4 184 B8R1.4 NC1=CC(=O)CCC1 S897639 [1,0,0,1,0,0|1,0,0]=3 185 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.37 CCCC(=O)N1CC1 S406996 [1,0,0,1,0,0|1,0,1]=4 187 B10R1.8 CCC1CC(=O)CC(=O)C1 CDS014187 [0,1,0,1,0,0|0,0,1]=3 188 B10R1.16 CC1=CSC(=N1)CCCN CBR01449 [0,1,0,1,0,0|2,0,0]=4 189 B10R1.16 CC1=CSC(=N1)CCCN OTV000604 [0,1,0,1,0,0|2,0,0]=4 190 B10R1.16 CCCCN1C=C[N+](=C1)C S16110 [0,1,0,1,0,0|2,0,0]=4 191 B10R1.18 CC(=CN1CCCCC1)C S354880 [0,1,0,1,0,0|2,0,0]=4 192 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [0,1,0,1,0,0|1,0,1]=4 193 B10R1.130 CCCC1SC(=NC1=O)N PH012717 [0,1,0,1,0,0|2,0,0]=4 194 B10R1.130 CCCN1N=C(C=C1C)N CBR01395 [0,1,0,1,0,0|2,0,0]=4 195 B10R1.266 CC(=O)CC(=O)C1CCC1 SYX00422 [0,1,0,1,0,0|0,0,1]=3 196 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,1,0,1,0,0|0,0,2]=4 197 B10R1.11 CCCC(N)C1=CC=CS1 CBR00906 [0,1,0,1,0,0|0,1,1]=4 198 B10R1.25 CCN1CCC(=O)NC1=O S932698 [0,1,0,1,0,0|2,0,0]=4 199 B10R1.29 CCCCN1CCCC1=O S434221 [0,1,0,1,0,0|0,0,2]=4 200 B10R1.78 C=C1C=CC=CCCCC1 T211605 [0,1,0,1,0,0|1,0,1]=4 201 B10R1.78 C=C1C=CCCCCC=C1 T171050 [0,1,0,1,0,0|1,0,1]=4 202 B10R1.78 O=C1C=CC=CCCCC1 T211648 [0,1,0,1,0,0|0,0,1]=3 203 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,1,0,1,0,0|0,0,0]=2 204 B10R1.138 CNCC(=O)NCC1CC1 PH017398 [0,1,0,1,0,0|1,0,1]=4 205 B10R1.277 CC1CCCC(=O)CC1=O T271306 [0,1,0,1,0,0|1,0,1]=4 206 B10R1.7 CC1CCCCCCC1=O S53075 [0,1,0,1,0,0|0,0,2]=4 207 B10R1.7 O[C@H]1C=CCCCC[C@@H]1O T287253 [0,1,0,1,0,0|0,0,2]=4 208 B10R1.176 CCC1CCC(=O)C(=O)C1 PH008686 [0,1,0,1,0,0|0,0,1]=3 209 B10R1.4 CS/C=C/1\CCCCC1=O L169943 [0,1,0,1,0,0|0,0,0]=2 210 B10R1.4 NCCN1CCCCC1=O CBR02341 [0,1,0,1,0,0|1,0,1]=4 211 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,1,0,1,0,0|1,0,1]=4 212 B10R1.187 N1N=C(C(C1=O)CCO)C S350761 [0,1,0,1,0,0|2,0,0]=4 213 B10R1.475 CCC1(CC(=O)N=C1O)C PH001065 [0,1,0,1,0,0|2,0,0]=4 214 B10R1.2 CC1CCC/C(=C\O)/C1=O T219460 [0,1,0,1,0,0|1,0,0]=3 215 B10R1.118 CC1CC(C(=CC1=O)O)C R179612 [0,1,0,1,0,0|1,0,0]=3 216 B10R1.118 CC1CC(C(=O)OC1=O)C S494208 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.118 C[C@H]1C[C@@H](C(=O)CC1=O)C T257206 [0,1,0,1,0,0|1,0,1]=4 218 B10R1.118 C[C@H]1C[C@H](C(=O)CC1=O)C T257192 [0,1,0,1,0,0|1,0,1]=4 219 B10R1.118 C[C@H]1C[C@H](C(=O)CC1=O)C T269158 [0,1,0,1,0,0|1,0,1]=4 220 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,1,0,1,0,0|0,0,2]=4 221 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,1,0,1,0,0|1,0,1]=4 222 B10R1.302 CC1(CC=CC(=O)CC1)C T202908 [0,1,0,1,0,0|0,0,0]=2 223 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|0,0,2]=4 224 B10R2.62 O=C1CC2C=CC1CC2 T287628 [0,0,0,2,0,0|0,0,2]=4 225 B10R2.32 BrC1=C2CCCC2CC1 T219266 [0,0,0,2,0,0|1,0,1]=4 226 B10R2.32 O=C1CCC2N1C=CC2 PH015928 [0,0,0,2,0,0|1,0,1]=4 227 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,2,0,0|0,0,2]=4 228 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,2,0,0|1,0,1]=4 229 B10R2.18 C1=CC2OC2CCCC1 T172715 [0,0,0,2,0,0|0,0,2]=4 230 B10R2.18 [C@@H]12C=CCCCC[C@@H]1C2 T180009 [0,0,0,2,0,0|1,0,1]=4 231 B10R2.37 [C@@H]12C=CC(=O)CC[C@@H]1C2 T169374 [0,0,0,2,0,0|0,0,0]=2 232 B10R2.37 [C@@H]12CCC(=O)CC[C@@H]1C2 T181390 [0,0,0,2,0,0|0,0,2]=4 233 B10R2.37 [C@H]12C=CC(=C)CC[C@H]1C2 T181889 [0,0,0,2,0,0|1,0,0]=3 234 B10R2.244 O=C1C=CC=CC2C1C2 T167126 [0,0,0,2,0,0|0,0,2]=4 235 B10R2.42 O=C1OC(=O)C2C1CC2 T169056 [0,0,0,2,0,0|2,0,0]=4 236 B10R2.42 [C@H]12CC[C@H]1C(=O)OC2=O T181250 [0,0,0,2,0,0|2,0,0]=4 237 B10R2.175 CC1CCC2(C1C=C2)C T180882 [0,0,0,2,0,0|1,0,1]=4 238 B10R2.179 CC12CCCC(=O)C1C2 T179531 [0,0,0,2,0,0|0,0,2]=4 239 B10R2.43 O=C1OC(=O)C2CC1C2 T192104 [0,0,0,2,0,0|2,0,0]=4