0 B8R0.1 C#CCNC(=O)CCCl S893137 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 C#CCNC(=O)COC CDS023428 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.1 C=CCNC(=O)OCC S361445 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.1 CC=CC(=O)NCCC T173770 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.1 CCCC(O)CCCO S838322 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.1 CCCCC(=O)CCC S456489 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.1 CCCCN(C)CCN PH014575 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.1 CCCCN(C)CCO PH017931 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.1 CCCNC(=O)NCC S805858 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.1 CCCNC(=O)OCC S361909 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.1 CCOC(=O)CCC#N PH003642 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.1 CCOC(=O)CCOC CDS025273 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.1 CCOC(=O)NCCO S391980 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.1 N#CCC(=O)NCCO S550701 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 CCCCSCCC S367192 [1,0,0,0,0,0|0,1,1]=3 16 B7R0.1 CCCCSCCO S527408 [1,0,0,0,0,0|1,1,1]=4 17 B7R0.1 CCCOCCCN CDS000217 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.1 COCCOCCN CDS022898 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.3 C(=C(/C)\CC)\CCO T295590 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.3 C=C(CC)CCCC CDS000215 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.3 C=CCOC(=O)CBr PH008698 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.3 CCC#CC(=O)OC T242845 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.3 CCCCC(N)CC CDS021471 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.3 CCCNC(=O)CCl OTV000047 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.3 CCCNC(=S)NC S512176 [1,0,0,0,0,0|2,1,0]=4 26 B7R0.3 CCCOC(=O)CBr PH011324 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.3 CCCOC(=O)CCl S431443 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.3 CCCOC(=O)CN PH019063 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.3 CCCSC(C)CC S570672 [1,0,0,0,0,0|1,1,1]=4 30 B7R0.3 CCOCC(=O)OC EME00071 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.3 CCSCS(=O)CC S697834 [1,0,0,0,0,0|3,0,0]=4 32 B7R0.3 CNC(=O)OCCCl L163082 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.3 CNC(=O)OCCO S392650 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.3 CNCCC(=O)NC CBR01261 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.3 NNC(=O)OCCO S749680 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.7 CCCC(Cl)CCC S563323 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.7 CCCC(S)CCO CDS001520 [1,0,0,0,0,0|1,1,1]=4 38 B7R0.7 CCCS(=O)CCC S440973 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.7 CCNC(=O)CC#N OTV000131 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.7 CCOC(=O)CCI T255378 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.7 CCOC(=O)CNC PH000310 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.7 CCOC(=O)CNN CDS009912 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.7 CCOC(=O)NNC PH007943 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.7 CCOC(=O)NOC PH005154 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.7 CCOC(C)CCO S322008 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.7 CCOC(C)CNC CBR01487 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.7 CCSC(=O)SCC S189634 [1,0,0,0,0,0|1,1,0]=3 48 B9R0.4 CC(=O)CC(=O)OCCCl PH003373 [0,1,0,0,0,0|1,0,1]=3 49 B9R0.4 CC(C)NC(=O)NCCCl R592358 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,1,0,0,0,0|1,0,1]=3 51 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,1,0,0,0,0|1,0,1]=3 53 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,1,0,0,0,0|0,0,1]=2 54 B9R0.4 CCCOC(=O)N[N+](=O)[O-] R647373 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.5 C=CCONC(=O)OCC T300969 [0,1,0,0,0,0|1,0,2]=4 56 B9R0.5 CCCCCC(=O)CCC S411825 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.5 CCCCCC(C)CCC S431648 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.5 CCCCNC(=O)CC#N PH010800 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.5 CCCCNC(=O)CCC EME00389 [0,1,0,0,0,0|1,0,0]=2 60 B9R0.5 CCCCNC(=O)CNC CBR01986 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.5 CCCCNC(=O)NCC S802077 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.5 CCCCNC(=O)OCC S406988 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.5 CCCCOC(C)OCC S240214 [0,1,0,0,0,0|2,0,1]=4 64 B9R0.5 CCNC(=O)NCCCO S804738 [0,1,0,0,0,0|2,0,0]=3 65 B9R0.5 CCNC(=O)NCCOC S804746 [0,1,0,0,0,0|2,0,0]=3 66 B9R0.5 CCOC(=O)CCCCI S677175 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.5 CCOC(=O)CCCCN CDS023812 [0,1,0,0,0,0|2,0,0]=3 68 B9R0.5 CCOC(=O)NCCCBr PH001320 [0,1,0,0,0,0|2,0,0]=3 69 B9R0.5 CCOC(C)OCCCBr T204005 [0,1,0,0,0,0|2,0,1]=4 70 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.8 CCCCC(=O)C(C)CC S431486 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.8 CCCCC(O)C(C)CC S417467 [0,1,0,0,0,0|1,0,2]=4 73 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [0,1,0,0,0,0|0,0,0]=1 74 B9R0.18 C#CCNC(=O)CNCC PH014819 [0,1,0,0,0,0|1,0,2]=4 75 B9R0.18 CCCNC(=S)NCCC S521264 [0,1,0,0,0,0|1,1,0]=3 76 B9R0.18 O=C(CCCO)NCCO PH008175 [0,1,0,0,0,0|2,0,0]=3 77 B9R0.18 O=C(NCCCl)OCCCl R416347 [0,1,0,0,0,0|2,0,0]=3 78 B9R0.18 [NH2+](CC)CC(=O)OCC=C R240648 [0,1,0,0,0,0|0,0,2]=3 79 B9R0.35 CCCC(=O)C(O)CCC S705500 [0,1,0,0,0,0|1,0,0]=2 80 B9R0.35 CCCC(O)C(O)CCC PH008194 [0,1,0,0,0,0|1,0,2]=4 81 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,1,0,0,0,0|2,0,0]=3 82 B9R0.35 CCNC(=O)C(=O)NCC L158526 [0,1,0,0,0,0|3,0,0]=4 83 B9R0.40 CCCCN(C=O)CCO PH000614 [0,1,0,0,0,0|3,0,0]=4 84 B9R0.48 C=C(C)CNC(=O)NCC S805793 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.48 C=C(C)CNC(=O)OCC S36022 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.48 CCOC(C)OCC(C)C CDS018832 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,0,0,1,0,0|0,0,2]=3 88 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.2 COC1=CC(=O)CCC1 T288349 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.8 CCCC1=NCCCS1 PH000354 [0,0,0,1,0,0|1,1,0]=3 91 B9R1.8 CCCC1NCCCS1 T149691 [0,0,0,1,0,0|1,1,1]=4 92 B9R1.8 CCOC1CCCCO1 S359033 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.8 CNCC1CCCCO1 CDS005693 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.8 OCCC1CCCCO1 T177393 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.12 CCCCC1=NCCS1 PH008233 [0,0,0,1,0,0|2,1,0]=4 96 B9R1.12 CCCNC1CCCC1 CBR00869 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.15 COC1CCCC=C1Br T261521 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.22 CCC1CC(=O)NN1C PH013333 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.27 CC[C@H]1C(=CC[C@@H]1C)Br T219673 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.27 CC[C@H]1C(=CC[C@@H]1C)I T219630 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.27 N1CC(C(C1C)CC)C S511501 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.33 CCCN1CCNC1=S S762059 [0,0,0,1,0,0|2,1,0]=4 103 B9R1.33 NCCN1CCOC1=O CBR01024 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.33 O=C1CCCN1CCBr CDS019689 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.33 O=C1OCCN1CCO CDS013723 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.49 C=C1CCCC(CC1)C T170666 [0,0,0,1,0,0|2,0,0]=3 107 B9R1.49 CC1CNC(=O)CCN1 CBR01349 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.50 BrC1CCCCCCC1 PH011377 [0,0,0,1,0,0|2,0,1]=4 110 B9R1.75 O=C(CCCl)NC1CC1 CBR00331 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.90 CCC1NC(=O)C1CC T173827 [0,0,0,1,0,0|1,0,0]=2 112 B9R1.134 CCCC1(CCCC1)O S416991 [0,0,0,1,0,0|1,0,2]=4 113 B9R1.183 CCOC(=O)C1CC1C R425907 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.183 CCOC(=O)C1OC1C S462349 [0,0,0,1,0,0|3,0,0]=4 115 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.6 CCCNCCC R580155 [2,0,0,0,0,0|1,0,0]=3 117 B6R0.6 CCCOCC#N PH011429 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.6 CCCSCCO S408859 [2,0,0,0,0,0|1,1,0]=4 119 B6R0.6 NCCOCCN CDS000024 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.1 CC/C=C(\C)/CC R289574 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.1 CC/C=C(\C)/CC R289582 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.1 CCC(=O)COC CDS024044 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.1 CCC(=O)OCS PH000959 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.1 CCCC(N)CC CBR01120 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.1 CCNC(=O)CBr CBR01984 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.1 CCNC(=O)CCl TMT00299 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.1 CCOC(=O)NC PH010865 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.1 CCOC(=O)N[O-] S859273 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.1 CCSC(=O)CC CDS001498 [2,0,0,0,0,0|0,1,0]=3 130 B6R0.1 CNCC(=O)NC CBR00235 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.1 CNCC(=O)OC PH006931 [2,0,0,0,0,0|1,0,0]=3 132 B6R0.1 [Li]OC(=O)CCC S813958 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.4 CC(=O)NCCCl CDS001220 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.4 CC(=O)OCCS S363049 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.4 CCC#CC(=O)C CDS000006 [2,0,0,0,0,0|1,0,1]=4 136 B6R0.4 CCCC=C(C)C S419117 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|0,1,0]=3 138 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|2,0,0]=4 139 B8R0.4 C(=C/CCCO)\CCI T166286 [1,1,0,0,0,0|2,0,0]=4 140 B8R0.4 C(=C\CCCO)\CCI T166227 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.4 CCCCCCCSC S570729 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.4 CCCCNCCCC S367869 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.4 CCCCNCCCC S503894 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.4 CCCCNCCCC S566152 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.4 CCCSSSCCC CDS017270 [1,1,0,0,0,0|1,1,0]=4 146 B8R0.4 NCCCOCCCN PH000107 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.6 CCCCSC(C)CC S570613 [1,1,0,0,0,0|0,1,1]=4 149 B8R0.7 CCCCCCC(C)C S430935 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.7 CCCCCCC(C)Cl S564516 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.7 CCCCSCC(C)C S570567 [1,1,0,0,0,0|0,1,1]=4 152 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,1,0,0,0,0|1,0,0]=3 153 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.8 CCCCC(=O)N(C)C S939811 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.8 COCCC(=O)C(C)C CDS024032 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.9 C=CC(=O)OCC(C)O S511951 [1,1,0,0,0,0|0,0,2]=4 157 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.19 CCC(C)NC(=O)NC S724750 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.25 CCCCS(=O)(=O)CC S775738 [1,1,0,0,0,0|2,0,0]=4 161 B8R0.5 CC(C)OC(=O)CC#N S615137 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,1,0,0,0,0|0,0,1]=3 163 B8R0.5 CCOC(=O)CC(=O)C S813079 [1,1,0,0,0,0|0,0,1]=3 164 B8R0.5 CCOC(=O)NC(=O)C S357308 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.5 CCOC(=O)NC(C)C PH000346 [1,1,0,0,0,0|1,0,0]=3 166 B8R0.22 CCCC(C=O)CCC PH014413 [1,1,0,0,0,0|0,0,1]=3 167 B8R0.30 CCCC(C)(O)CCC S431621 [1,1,0,0,0,0|0,0,2]=4 168 B8R0.30 CCCS(=O)(=O)CCCl R397296 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.30 CCOP(=O)(O)OCC CDS000320 [1,1,0,0,0,0|2,0,0]=4 170 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [0,2,0,0,0,0|1,0,1]=4 171 B10R0.6 COCCOC(=O)C=C(C)C S240443 [0,2,0,0,0,0|0,0,2]=4 172 B10R0.18 CCNCC(=O)NC(C)CC PH014816 [0,2,0,0,0,0|1,0,0]=3 173 B10R0.28 CCCOC(=O)C[N+](C)(C)C R587818 [0,2,0,0,0,0|1,0,0]=3 174 B10R0.32 CCOC(=O)C(N)CC(C)C S846015 [0,2,0,0,0,0|2,0,0]=4 175 B10R0.32 CCOC(=O)C(O)CC(C)C CDS000270 [0,2,0,0,0,0|2,0,0]=4 176 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC S598895 [0,2,0,0,0,0|2,0,0]=4 177 B10R0.1 CCCCCOC(=O)CC#N S549703 [0,2,0,0,0,0|1,0,1]=4 178 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,2,0,0,0,0|2,0,0]=4 179 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [0,2,0,0,0,0|2,0,0]=4 180 B10R0.2 CCOC(=O)CC(O)COC S877271 [0,2,0,0,0,0|2,0,0]=4 181 B10R0.2 CNCC(=O)NC(C)COC PH014808 [0,2,0,0,0,0|2,0,0]=4 182 B10R0.3 CCOC(=O)CCCN(C)C PH002341 [0,2,0,0,0,0|2,0,0]=4 183 B10R0.3 CCOC(=O)COCC(C)C T332593 [0,2,0,0,0,0|1,0,0]=3 184 B10R0.83 CCCCNC(=O)C(Br)CC PH015166 [0,2,0,0,0,0|1,0,0]=3 185 B10R0.91 CCCCNC(=O)CNCC PH014734 [0,2,0,0,0,0|1,0,0]=3 186 B10R0.91 CCCCNC(=O)OCCI PH005343 [0,2,0,0,0,0|1,0,0]=3 187 B10R0.91 CCCCOC(=O)CCCN T160474 [0,2,0,0,0,0|0,0,0]=2 188 B10R0.91 CCNCC(=O)NCCOC PH014802 [0,2,0,0,0,0|1,0,0]=3 189 B10R0.108 CCCC(=O)OCC(O)CO CDS003526 [0,2,0,0,0,0|0,0,0]=2 190 B10R0.35 CCCC(C)C(=O)C(C)CC S504696 [0,2,0,0,0,0|1,0,0]=3 191 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC CDS021429 [0,2,0,0,0,0|2,0,0]=4 192 B10R0.116 CCCCP(=O)([Na])CCCC R466778 [0,2,0,0,0,0|2,0,0]=4 193 B10R0.116 CCCCS(=O)(=O)CCCO S799106 [0,2,0,0,0,0|2,0,0]=4 194 B10R0.26 CCOC(=O)CC(N)C(C)C CBR00804 [0,2,0,0,0,0|2,0,0]=4 195 B10R0.34 CCC(CC)NC(=O)CNC PH014811 [0,2,0,0,0,0|2,0,0]=4 196 B10R0.34 CCOC(=O)NC(CC)CO S361747 [0,2,0,0,0,0|2,0,0]=4 197 B10R0.33 CCCC(CN)C(=O)OCC PH015720 [0,2,0,0,0,0|2,0,0]=4 198 B8R1.2 CCC1CNCCO1 CDS009046 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.2 NCC1CCCCO1 CDS006458 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.2 NCC1CCCCO1 CDS006719 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.2 OCC1CCCOC1 CDS015486 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.5 CC1CC=CCC1C T152838 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.8 CCCC1=NCCO1 S396397 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.8 CCCC1OCCO1 S364665 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.49 C1=CCOCCCC1 T177512 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.1 O=C1CCC(O1)CCl PH010125 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.1 O=C1OCC(O1)CCl S416657 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.3 NC1CCC(=O)CC1 CDS009700 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.3 O=C1CCC(CC1)O T292184 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.38 COC(=O)C1CCC1 S851957 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.40 NCC(=O)NC1CC1 CBR00910 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.50 CC1=NOC(=O)C1C PH007712 [1,0,0,1,0,0|1,0,1]=4 219 B8R1.50 CC1C(=O)COC1=O S839418 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.83 COC(=O)C1CC1C EME00059 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.4 CC1=CCCC(=O)C1 PH000095 [1,0,0,1,0,0|0,0,2]=4 222 B8R1.4 CC1CCCC(C1)N CDS007614 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.4 CC1CCCC(C1)S CDS023316 [1,0,0,1,0,0|0,1,1]=4 224 B8R1.4 CC1CCOS(=O)O1 S359173 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.4 NC1CCNC(=O)C1 CDS024233 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [1,0,0,1,0,0|0,0,0]=2 227 B8R1.37 CCCC(=O)N1CC1 S406996 [1,0,0,1,0,0|1,0,0]=3 228 B10R1.8 CCC1CC(=O)CC(=O)C1 CDS014187 [0,1,0,1,0,0|1,0,1]=4 229 B10R1.61 CC(C)N1CCCNC1=O PH009682 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.61 CC1=CCCCC1C(C)O T180114 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.130 CCCN1CC(CC1=O)N CBR00820 [0,1,0,1,0,0|1,0,0]=3 232 B10R1.266 CC(=O)CC(=O)C1CCC1 SYX00422 [0,1,0,1,0,0|1,0,1]=4 233 B10R1.444 CC1(CC(=O)OC1CO)C R160636 [0,1,0,1,0,0|1,0,0]=3 234 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,1,0,1,0,0|0,0,0]=2 235 B10R1.11 CCOC(=O)C1=CCCC1 S942871 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.21 NCCCOC1CCCC1 CBR01499 [0,1,0,1,0,0|1,0,1]=4 237 B10R1.29 CCCCN1CCCC1=O S434221 [0,1,0,1,0,0|1,0,0]=3 238 B10R1.29 N#CCCN1CCCC1=O S443255 [0,1,0,1,0,0|1,0,1]=4 239 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,1,0,1,0,0|1,0,0]=3 240 B10R1.138 CNCC(=O)NCC1CC1 PH017398 [0,1,0,1,0,0|2,0,0]=4 241 B10R1.257 CCC1/C(=N/N)/CCC1C T219746 [0,1,0,1,0,0|2,0,0]=4 242 B10R1.277 CC1CCCC(=O)CC1=O T271306 [0,1,0,1,0,0|1,0,1]=4 243 B10R1.7 C=C1CCCCCCC1O T181676 [0,1,0,1,0,0|2,0,0]=4 244 B10R1.7 C=C1CCCCCCC1O T232742 [0,1,0,1,0,0|2,0,0]=4 245 B10R1.7 CC1CCCCCCC1=O S53075 [0,1,0,1,0,0|1,0,0]=3 246 B10R1.176 CCC1CCC(=O)C(=O)C1 PH008686 [0,1,0,1,0,0|1,0,1]=4 247 B10R1.230 CC1(CCCCC1=O)CO T183903 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.4 N#CCC1CCCCC1=O PH008486 [0,1,0,1,0,0|1,0,1]=4 249 B10R1.4 NCCN1CCCCC1=O CBR02341 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.4 NCCN1CCCOC1=O CBR00826 [0,1,0,1,0,0|1,0,0]=3 251 B10R1.4 O=C1NCCNC1CCO CBR00279 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.17 CCNCC1CCCCO1 CBR00835 [0,1,0,1,0,0|1,0,1]=4 253 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,1,0,1,0,0|1,0,1]=4 254 B10R1.149 CCC(C)N1CCCC1=O PH008581 [0,1,0,1,0,0|1,0,0]=3 255 B10R1.2 CCC1NCCN(C1=O)C CDS011887 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.164 [NH+]1=C(C(C1CC)CC)OC T173789 [0,1,0,1,0,0|1,0,1]=4 257 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,1,0,1,0,0|1,0,1]=4 258 B10R1.64 CN(C)CC1CCCC1=O PH018698 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.64 CN(C)CC1CCCC1=O S235504 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,1,0,1,0,0|1,0,0]=3 261 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,1,0,1,0,0|2,0,0]=4 262 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|1,0,0]=3 263 B10R2.62 O=C1NC2CCC1CC2 PH001109 [0,0,0,2,0,0|1,0,0]=3 264 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,2,0,0|0,0,0]=2 265 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [0,0,0,2,0,0|1,0,0]=3 266 B10R2.32 BrC1=C2CCCC2CC1 T219266 [0,0,0,2,0,0|2,0,0]=4 267 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,2,0,0|1,0,0]=3 268 B10R2.6 C1CCC(OC1)C2CC2 T166251 [0,0,0,2,0,0|1,0,1]=4 269 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,2,0,0|1,0,0]=3 270 B10R2.178 O=C1C=CC2CCC1C2 T188239 [0,0,0,2,0,0|1,0,1]=4 271 B10R2.178 O=C1NCC2CCC1C2 T298905 [0,0,0,2,0,0|1,0,0]=3 272 B10R2.37 [C@@H]12C=CC(=O)CC[C@@H]1C2 T169374 [0,0,0,2,0,0|1,0,1]=4 273 B10R2.37 [C@@H]12CCC(=O)CC[C@@H]1C2 T181390 [0,0,0,2,0,0|1,0,0]=3 274 B10R2.179 CC12CCCC(=O)C1C2 T179531 [0,0,0,2,0,0|1,0,0]=3