0 B8R0.1 C/C=C\C(O)CCCC S364290 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.1 C=CCNC(=O)OCC S361445 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.1 CC=CC(=O)NCCC T173770 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.1 CCCC(O)CCCO S838322 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.1 CCCCC(=O)CCC S456489 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.1 CCCCN(C)CCN PH014575 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.1 CCCCN(C)CCO PH017931 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.1 CCCNC(=O)NCC S805858 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.1 CCCNC(=O)OCC S361909 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.1 CCOC(=O)CCC#N PH003642 [0,0,0,0,0,0|1,0,1]=2 10 B8R0.1 CCOC(=O)CCOC CDS025273 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.1 CCOC(=O)CSC#N PH001910 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.1 CCOC(=O)NCCO S391980 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.1 CCCCCON=O CDS000385 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.1 CCCCSCCC S367192 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.1 CCCCSCCO S527408 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.1 CCCOCCCN CDS000217 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.1 CCOCCCNN PH019429 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.1 CCSCCSCC S347876 [1,0,0,0,0,0|1,1,1]=4 19 B7R0.1 COCC/C=C/CCl S359556 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.3 C(=C(/C)\CC)\CCO T295590 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.3 C(=O)C(=C)CCCC R425885 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.3 C=C(CC)CCCC CDS000215 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.3 CCC#CC(=O)OC T242845 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.3 CCCCC(N)CC CDS021471 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.3 CCCNC(=O)CCl OTV000047 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.3 CCCNC(=S)NC S512176 [1,0,0,0,0,0|2,1,0]=4 27 B7R0.3 CCCOC(=O)CBr PH011324 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.3 CCCOC(=O)CCl S431443 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.3 CCCOC(=O)CN PH019063 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.3 CCCSC(C)CC S570672 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.3 CCOCC(=O)OC EME00071 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.3 CCSCS(=O)CC S697834 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.3 CNC(=O)OCCCl L163082 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.3 CNC(=O)OCCO S392650 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.3 CNCCC(=O)NC CBR01261 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.3 COC(=O)CCC#N S369640 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.3 COCCC(=O)NN CDS018970 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.3 NNC(=O)CCCO CDS001562 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.7 CCCC(Cl)CCC S563323 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.7 CCCS(=O)CCC S440973 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.7 CCNC(=O)CC#N OTV000131 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.7 CCOC(=O)CCI T255378 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.7 CCOC(=O)CNC PH000310 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.7 CCOC(=O)CNN CDS009912 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.7 CCOC(=O)NNC PH007943 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.7 CCOC(=O)NOC PH005154 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.7 CCOC(C)CCO S322008 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.7 CCOC(C)CNC CBR01487 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.7 CCSC(=O)SCC S189634 [1,0,0,0,0,0|1,1,0]=3 50 B9R0.4 CC(C)NC(=O)NCCCl R592358 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,1,0,0,0,0|1,0,1]=3 53 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.5 C(=C/C(=O)CCCC#N)\C T270555 [0,1,0,0,0,0|1,0,2]=4 56 B9R0.5 C=CCONC(=O)OCC T300969 [0,1,0,0,0,0|1,0,2]=4 57 B9R0.5 CCCCC/C(=C/CO)/I S326747 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.5 CCCCCC(=O)CCC S411825 [0,1,0,0,0,0|1,0,0]=2 59 B9R0.5 CCCCCC(C)CCC S431648 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.5 CCCCNC(=O)CC#N PH010800 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.5 CCCCNC(=O)CCC EME00389 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.5 CCCCNC(=O)CNC CBR01986 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.5 CCCCNC(=O)NCC S802077 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.5 CCCCNC(=O)OCC S406988 [0,1,0,0,0,0|0,0,0]=1 65 B9R0.5 CCCCOC(C)OCC S240214 [0,1,0,0,0,0|1,0,1]=3 66 B9R0.5 CCNC(=O)NCCCO S804738 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.5 CCNC(=O)NCCOC S804746 [0,1,0,0,0,0|2,0,0]=3 68 B9R0.5 CCOC(=O)CCCCI S677175 [0,1,0,0,0,0|0,0,0]=1 69 B9R0.5 CCOC(=O)CCCCN CDS023812 [0,1,0,0,0,0|0,0,0]=1 70 B9R0.5 CCOC(=O)CCN=C=S CDS000897 [0,1,0,0,0,0|1,0,1]=3 71 B9R0.5 CCOC(=O)NCCCBr PH001320 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.5 CCOC(C)OCCCBr T204005 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [0,1,0,0,0,0|0,0,1]=2 74 B9R0.8 CCCCC(=O)C(C)CC S431486 [0,1,0,0,0,0|1,0,0]=2 75 B9R0.8 CCCCC(O)C(C)CC S417467 [0,1,0,0,0,0|1,0,2]=4 76 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [0,1,0,0,0,0|2,0,0]=3 77 B9R0.18 C#CCNC(=O)CNCC PH014819 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.18 CCCCC(C)OCC#N S240389 [0,1,0,0,0,0|1,0,2]=4 79 B9R0.18 CCCNC(=S)NCCC S521264 [0,1,0,0,0,0|2,1,0]=4 80 B9R0.18 CCOCC(O)COCC S433292 [0,1,0,0,0,0|1,0,2]=4 81 B9R0.18 O=C(CCCO)NCCO PH008175 [0,1,0,0,0,0|2,0,0]=3 82 B9R0.18 O=C(NCCCl)OCCCl R416347 [0,1,0,0,0,0|2,0,0]=3 83 B9R0.18 [NH2+](CC)CC(=O)OCC=C R240648 [0,1,0,0,0,0|1,0,1]=3 84 B9R0.34 C#C[C@@H](N)CC(=O)OCC PH016355 [0,1,0,0,0,0|0,0,2]=3 85 B9R0.34 C(=C(/C)\NC)\C(=O)OCC S373435 [0,1,0,0,0,0|1,0,2]=4 86 B9R0.34 CCOC(=O)CN(C)C#N S348236 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.35 CCCC(=O)C(O)CCC S705500 [0,1,0,0,0,0|1,0,0]=2 88 B9R0.35 CCCC(O)C(O)CCC PH008194 [0,1,0,0,0,0|1,0,2]=4 89 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,1,0,0,0,0|0,0,0]=1 90 B9R0.35 CCNC(=O)C(=O)NCC L158526 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.35 CCOC(=O)C(C)N=C=O PH010972 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.40 CCCCN(C=O)CCO PH000614 [0,1,0,0,0,0|3,0,0]=4 93 B9R0.48 C=C(C)CNC(=O)NCC S805793 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.48 C=C(C)CNC(=O)OCC S36022 [0,1,0,0,0,0|1,0,1]=3 95 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [0,1,0,0,0,0|0,0,2]=3 96 B9R0.48 CCOC(C)OCC(C)C CDS018832 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.8 CCCC1=NCCCS1 PH000354 [0,0,0,1,0,0|2,1,0]=4 99 B9R1.8 CCOC1CCCCO1 S359033 [0,0,0,1,0,0|0,0,2]=3 100 B9R1.8 CCOC1CCNCC1 CBR01194 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,0,0,1,0,0|1,0,2]=4 102 B9R1.12 CCCCC1=NCCS1 PH008233 [0,0,0,1,0,0|1,1,0]=3 103 B9R1.12 CCCCC1OCCO1 T330108 [0,0,0,1,0,0|0,0,2]=3 104 B9R1.12 OCCCC1OCCO1 T290653 [0,0,0,1,0,0|1,0,2]=4 105 B9R1.15 NCC1=C(CCCC1)Cl T162965 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.22 CCC1CC(=O)NN1C PH013333 [0,0,0,1,0,0|2,0,0]=3 107 B9R1.27 CC[C@H]1C(=CC[C@@H]1C)Br T219673 [0,0,0,1,0,0|2,0,1]=4 108 B9R1.27 CC[C@H]1C(=CC[C@@H]1C)I T219630 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.33 C=CCC1CCOC1=O T230685 [0,0,0,1,0,0|0,0,2]=3 110 B9R1.33 CCCN1CCNC1=S S762059 [0,0,0,1,0,0|2,1,0]=4 111 B9R1.33 NCCN1CCOC1=O CBR01024 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.33 O=C1CCCN1CCBr CDS019689 [0,0,0,1,0,0|3,0,0]=4 113 B9R1.33 O=C1OCCN1CCO CDS013723 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.49 C=C1CCCC(CC1)C T170666 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.49 CC1CNC(=O)CCN1 CBR01349 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.50 BrC1CCCCCCC1 PH011377 [0,0,0,1,0,0|2,0,1]=4 118 B9R1.75 O=C(CCCl)NC1CC1 CBR00331 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.90 CCC1NC(=O)C1CC T173827 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.134 CCCC1(CCCC1)O S416991 [0,0,0,1,0,0|1,0,2]=4 121 B9R1.183 CCOC(=O)C1CC1C R425907 [0,0,0,1,0,0|0,0,0]=1 122 B9R1.183 CCOC(=O)C1OC1C S462349 [0,0,0,1,0,0|1,0,0]=2 123 B6R0.6 CCCCCSC S357952 [2,0,0,0,0,0|0,1,1]=4 124 B6R0.6 CCCNCCC R580155 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.6 CCOCC[Hg]Cl S564443 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.6 CCSCCCO PH017932 [2,0,0,0,0,0|1,1,0]=4 127 B6R0.1 CC/C=C(\C)/CC R289574 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.1 CC/C=C(\C)/CC R289582 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.1 CCC(=O)COC CDS024044 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.1 CCC(=O)OCS PH000959 [2,0,0,0,0,0|1,0,0]=3 131 B6R0.1 CCCC(N)CC CBR01120 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.1 CCNC(=O)CBr CBR01984 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.1 CCNC(=O)CCl TMT00299 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.1 CCOC(=O)NC PH010865 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.1 CCOC(=O)N[O-] S859273 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.1 CCSC(=O)CC CDS001498 [2,0,0,0,0,0|0,1,0]=3 137 B6R0.1 CNCC(=O)NC CBR00235 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.1 CNCC(=O)OC PH006931 [2,0,0,0,0,0|1,0,0]=3 139 B6R0.1 [Li]OC(=O)CCC S813958 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.4 CC(=O)NCCCl CDS001220 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 CC(=O)OCCS S363049 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.4 CCC#CC(=O)C CDS000006 [2,0,0,0,0,0|0,0,2]=4 143 B6R0.4 CCCC=C(C)C S419117 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.4 CCCCC(=N)N PH017352 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.4 CCCCC(=S)N PH000512 [2,0,0,0,0,0|1,1,0]=4 146 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.4 CCNCC(=O)N S877379 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.4 CCNCC(=O)N S986194 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|1,0,0]=3 150 B6R0.4 CNCCC(=O)O CDS013939 [2,0,0,0,0,0|1,0,0]=3 151 B6R0.4 CSCCC(=O)Cl CDS000414 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.4 N#CCCC(=O)O CDS009069 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.4 NC(=O)CCCCl OTV000845 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|1,0,0]=3 155 B8R0.4 C(=C/CCCO)\CCI T166286 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.4 C(=C\CCCO)\CCI T166227 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.4 CCCCCCCSC S570729 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.4 CCCCCSCCO S357928 [1,1,0,0,0,0|0,1,1]=4 159 B8R0.4 CCCCNCCCC S367869 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.4 CCCCNCCCC S503894 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.4 CCCCNCCCC S566152 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.4 CCNCCCCCO PH007898 [1,1,0,0,0,0|1,0,1]=4 163 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.6 CCCCSC(C)CC S570613 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.6 CCOCCC(O)CC S347981 [1,1,0,0,0,0|0,0,1]=3 166 B8R0.7 CCCCCCC(C)C S430935 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.7 CCCCCCC(C)Cl S564516 [1,1,0,0,0,0|1,0,1]=4 168 B8R0.7 CCCCSCC(C)C S570567 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.7 CCCC[Hg]OC(=O)C S814512 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,1,0,0,0,0|0,0,0]=2 171 B8R0.3 CCCC(O)C(C)CC S412430 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [1,1,0,0,0,0|0,0,0]=2 173 B8R0.8 CCCCC(=O)N(C)C S939811 [1,1,0,0,0,0|1,0,0]=3 174 B8R0.8 CCCCC(C)C(C)O S374199 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.8 CN(C)C(=O)CCCN CBR00927 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.8 COCCC(=O)C(C)C CDS024032 [1,1,0,0,0,0|1,0,0]=3 177 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.9 CCC(=O)CCC(=O)O S574090 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.9 CCC(=O)COC(=O)C S362409 [1,1,0,0,0,0|1,0,1]=4 180 B8R0.9 CCC(O)CCC(C)C CDS000278 [1,1,0,0,0,0|0,0,2]=4 181 B8R0.9 COC(=O)CNC(=O)C S785687 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.11 CCCCC(CC)CCl S431516 [1,1,0,0,0,0|1,0,1]=4 183 B8R0.11 CCCCC(CC)CN CDS000347 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.19 CCC(C)CC(O)CC S430854 [1,1,0,0,0,0|0,0,2]=4 185 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [1,1,0,0,0,0|2,0,0]=4 186 B8R0.19 CCC(C)NC(=O)NC S724750 [1,1,0,0,0,0|2,0,0]=4 187 B8R0.25 CCCCC(C)(O)CC S433217 [1,1,0,0,0,0|0,0,2]=4 188 B8R0.25 CCCCS(=O)(=O)CC S775738 [1,1,0,0,0,0|1,0,0]=3 189 B8R0.5 CC(C)OC(=O)CC#N S615137 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.5 CCOC(=O)CC(=O)C S813079 [1,1,0,0,0,0|0,0,1]=3 192 B8R0.5 CCOC(=O)NC(=O)C S357308 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.5 CCOC(=O)NC(C)C PH000346 [1,1,0,0,0,0|1,0,0]=3 194 B8R0.22 CCCC(C=O)CCC PH014413 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.30 CCOP(=O)(O)OCC CDS000320 [1,1,0,0,0,0|2,0,0]=4 196 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [0,2,0,0,0,0|1,0,1]=4 197 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [0,2,0,0,0,0|1,0,1]=4 198 B10R0.18 CCNCC(=O)NC(C)CC PH014816 [0,2,0,0,0,0|2,0,0]=4 199 B10R0.28 C#CCCC(=O)OC(C)(C)C PH018921 [0,2,0,0,0,0|0,0,2]=4 200 B10R0.28 CC(C)(C)OC(=O)CCCN CDS003999 [0,2,0,0,0,0|1,0,0]=3 201 B10R0.32 CCOC(=O)C(N)CC(C)C S846015 [0,2,0,0,0,0|0,0,0]=2 202 B10R0.32 CCOC(=O)C(O)CC(C)C CDS000270 [0,2,0,0,0,0|0,0,0]=2 203 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC S598895 [0,2,0,0,0,0|0,0,0]=2 204 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,2,0,0,0,0|0,0,0]=2 205 B10R0.1 CCOC(=O)CCC/C=N/O T240745 [0,2,0,0,0,0|0,0,1]=3 206 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [0,2,0,0,0,0|0,0,0]=2 207 B10R0.2 CCN/C(=C/C(=O)OCC)/C S541214 [0,2,0,0,0,0|0,0,2]=4 208 B10R0.2 CCNC(=O)CC(=O)NCC TMT00065 [0,2,0,0,0,0|1,0,1]=4 209 B10R0.2 CCOC(=O)CC(=S)OCC S664936 [0,2,0,0,0,0|0,0,1]=3 210 B10R0.2 CCOC(=O)CC(O)COC S877271 [0,2,0,0,0,0|0,0,0]=2 211 B10R0.2 CCOC(=O)NC(=O)OCC PH006851 [0,2,0,0,0,0|1,0,1]=4 212 B10R0.2 CCOC(=O)[CH-]C(=O)OCC S602574 [0,2,0,0,0,0|0,0,2]=4 213 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [0,2,0,0,0,0|0,0,1]=3 214 B10R0.3 CCOC(=O)CCCN(C)C PH002341 [0,2,0,0,0,0|0,0,0]=2 215 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] PH017280 [0,2,0,0,0,0|1,0,0]=3 216 B10R0.3 CCOC(=O)CCNC(=O)N S859575 [0,2,0,0,0,0|1,0,1]=4 217 B10R0.3 CCOC(=O)COCC(C)C T332593 [0,2,0,0,0,0|0,0,0]=2 218 B10R0.83 CCCCNC(=O)C(Br)CC PH015166 [0,2,0,0,0,0|1,0,0]=3 219 B10R0.91 C=CCNC(=O)NCCCC S607363 [0,2,0,0,0,0|1,0,1]=4 220 B10R0.91 CCCCNC(=O)CNCC PH014734 [0,2,0,0,0,0|1,0,0]=3 221 B10R0.91 CCCCNC(=O)OCCI PH005343 [0,2,0,0,0,0|0,0,0]=2 222 B10R0.91 CCCCOC(=O)CCCN T160474 [0,2,0,0,0,0|1,0,0]=3 223 B10R0.91 CCNCC(=O)NCCOC PH014802 [0,2,0,0,0,0|2,0,0]=4 224 B10R0.108 CCCC(=O)OCC(O)CO CDS003526 [0,2,0,0,0,0|2,0,0]=4 225 B10R0.35 CCCC(C)C(=O)C(C)CC S504696 [0,2,0,0,0,0|1,0,0]=3 226 B10R0.35 CCOC(=O)C(C)C(=O)NC S880949 [0,2,0,0,0,0|1,0,1]=4 227 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC CDS021429 [0,2,0,0,0,0|0,0,0]=2 228 B10R0.116 CCCCP(=O)([Na])CCCC R466778 [0,2,0,0,0,0|2,0,0]=4 229 B10R0.116 CCCCS(=O)(=O)CCCO S799106 [0,2,0,0,0,0|2,0,0]=4 230 B10R0.7 C=CC(C)(C)CC(=O)OCC T278440 [0,2,0,0,0,0|0,0,2]=4 231 B10R0.7 CCOC(=O)CS(=O)(=O)CCl T175668 [0,2,0,0,0,0|2,0,0]=4 232 B10R0.7 CCOC(=O)NC(C)(C)CO S361739 [0,2,0,0,0,0|2,0,0]=4 233 B10R0.26 CCOC(=O)CC(N)C(=O)O S108782 [0,2,0,0,0,0|1,0,1]=4 234 B10R0.26 CCOC(=O)CC(N)C(=O)O S334383 [0,2,0,0,0,0|1,0,1]=4 235 B10R0.26 CCOC(=O)CC(N)C(C)C CBR00804 [0,2,0,0,0,0|0,0,0]=2 236 B10R0.34 CCOC(=O)NC(CC)CO S361747 [0,2,0,0,0,0|1,0,0]=3 237 B10R0.33 CC/C=C(\C#N)/C(=O)OCC S661201 [0,2,0,0,0,0|0,0,2]=4 238 B10R0.33 CCCC(CN)C(=O)OCC PH015720 [0,2,0,0,0,0|0,0,0]=2 239 B10R0.33 CCOC(=O)C(COC)OC PH007488 [0,2,0,0,0,0|1,0,0]=3 240 B10R0.109 CCOC(=O)C#CC(C)(C)C T303569 [0,2,0,0,0,0|0,0,2]=4 241 B8R1.2 BrCC1CCOCC1 CDS013754 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.2 CNC1CCOCC1 CDS001741 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.2 COC1CC=CCC1 PH007914 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.2 NCC1=CCCCC1 CBR00863 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.2 NCC1CCOCC1 CDS003651 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.5 CC1CC=CCC1C T152838 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.8 CCNC1CCCC1 CBR00868 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.8 CCOC1CCNC1 CDS023169 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.8 CNCC1CCOC1 CBR01975 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.22 CC1CCCCCO1 T168866 [1,0,0,1,0,0|0,0,1]=3 252 B8R1.22 OC1CCCCCO1 S866032 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.49 C1=CCOCCCC1 T177512 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.1 CCC1CCC(C1)C R289752 [1,0,0,1,0,0|1,0,1]=4 255 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|1,0,0]=3 257 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.1 O=C1CC(CN1)CO CDS002555 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.1 O=C1CCC(O1)CCl PH010125 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.1 O=C1OCC(O1)CCl S416657 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.3 CC1CCC(CC1)Br CDS001451 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.3 CC1CCC(CC1)N T138053 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.3 NC1CCC(=O)CC1 CDS009700 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.3 O=C1CCC(CC1)O T292184 [1,0,0,1,0,0|1,0,0]=3 267 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.38 COC(=O)C1CCC1 S851957 [1,0,0,1,0,0|0,0,0]=2 269 B8R1.38 COC(=O)C1CNC1 CDS005119 [1,0,0,1,0,0|1,0,0]=3 270 B8R1.38 NNC(=O)C1CCC1 CBR00212 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.40 CO/C(=N/C1CC1)/C T199370 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.40 NCC(=O)NC1CC1 CBR00910 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [1,0,0,1,0,0|0,0,2]=4 274 B8R1.83 COC(=O)C1CC1C EME00059 [1,0,0,1,0,0|0,0,0]=2 275 B8R1.4 CC1CCOS(=O)O1 S359173 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.4 NC1CCNC(=O)C1 CDS024233 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [1,0,0,1,0,0|0,0,0]=2 278 B8R1.37 CCCC(=O)N1CC1 S406996 [1,0,0,1,0,0|1,0,0]=3 279 B10R1.8 CCC1CC(=O)CC(=O)C1 CDS014187 [0,1,0,1,0,0|1,0,1]=4 280 B10R1.18 CC(C)OC1CCCCO1 T332879 [0,1,0,1,0,0|0,0,2]=4 281 B10R1.61 CC(C)N1CCCNC1=O PH009682 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.130 CCCN1CC(CC1=O)N CBR00820 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.266 CC(=O)CC(=O)C1CCC1 SYX00422 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,1,0,1,0,0|1,0,0]=3 285 B10R1.11 CCOC(=O)C1=CCCC1 S942871 [0,1,0,1,0,0|0,0,1]=3 286 B10R1.21 BrCCCCC1OCCO1 CDS000118 [0,1,0,1,0,0|0,0,2]=4 287 B10R1.21 CCCCCC1=NCCS1 PH008239 [0,1,0,1,0,0|1,1,0]=4 288 B10R1.29 CCCCN1CCCC1=O S434221 [0,1,0,1,0,0|1,0,0]=3 289 B10R1.29 CCCCN1CCSC1=S PH006995 [0,1,0,1,0,0|0,2,0]=4 290 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.138 CNCC(=O)NCC1CC1 PH017398 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.257 CCC1/C(=N/N)/CCC1C T219746 [0,1,0,1,0,0|2,0,0]=4 293 B10R1.277 CC1CCCC(=O)CC1=O T271306 [0,1,0,1,0,0|1,0,1]=4 294 B10R1.7 C=C1CCCCCCC1O T181676 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.7 C=C1CCCCCCC1O T232742 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.7 CC1CCCCCCC1=O S53075 [0,1,0,1,0,0|1,0,0]=3 297 B10R1.30 CCN1C[C@H](NCC1=O)C CDS008125 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.176 CCC1CCC(=O)C(=O)C1 PH008686 [0,1,0,1,0,0|1,0,0]=3 299 B10R1.230 CC1(CCCCC1=O)CO T183903 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.4 CS/C=C/1\CCCCC1=O L169943 [0,1,0,1,0,0|1,0,1]=4 301 B10R1.4 N#CCC1CCCCC1=O PH008486 [0,1,0,1,0,0|1,0,1]=4 302 B10R1.4 NCCN1CCCCC1=O CBR02341 [0,1,0,1,0,0|1,0,0]=3 303 B10R1.4 NCCN1CCCOC1=O CBR00826 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.4 O=C1NCCNC1CCO CBR00279 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.17 CCON=C1CCCCC1 S648353 [0,1,0,1,0,0|1,0,0]=3 306 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,1,0,1,0,0|1,0,1]=4 307 B10R1.162 COC1=NC(CCCC1)C PH007837 [0,1,0,1,0,0|1,0,1]=4 308 B10R1.149 CCC(C)N1CCCC1=O PH008581 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.149 COC(=O)C1CCOC1=O T260215 [0,1,0,1,0,0|1,0,1]=4 310 B10R1.2 CCN1CCNC(C1=O)C CBR00710 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.118 CC1CC(C(=O)OC1=O)C S494208 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.118 CC1NC(=O)C(=O)OC1C S756261 [0,1,0,1,0,0|1,0,1]=4 313 B10R1.140 CCOC(=O)C1CC(=O)C1 T160598 [0,1,0,1,0,0|0,0,1]=3 314 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,1,0,1,0,0|1,0,1]=4 315 B10R1.64 CN(C)CC1CCCC1=O PH018698 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.64 CN(C)CC1CCCC1=O S235504 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,1,0,1,0,0|1,0,0]=3 318 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,1,0,1,0,0|0,0,0]=2 319 B10R1.302 CC1(CC=CC(=O)CC1)C T202908 [0,1,0,1,0,0|1,0,1]=4 320 B10R1.302 C[N+]1(CCNC(=O)CC1)C T281166 [0,1,0,1,0,0|2,0,0]=4 321 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|1,0,0]=3 322 B10R2.62 O=C1NC2CCC1CC2 PH001109 [0,0,0,2,0,0|2,0,0]=4 323 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,2,0,0|2,0,0]=4 324 B10R2.32 BrC1=C2CCCC2CC1 T219266 [0,0,0,2,0,0|2,0,0]=4 325 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,2,0,0|1,0,0]=3 326 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,2,0,0|1,0,0]=3 327 B10R2.178 O=C1NCC2CCC1C2 T298905 [0,0,0,2,0,0|2,0,0]=4 328 B10R2.483 C1CCC2(C1)OCCO2 S947520 [0,0,0,2,0,0|0,0,2]=4 329 B10R2.37 [C@@H]12C=CC(=O)CC[C@@H]1C2 T169374 [0,0,0,2,0,0|1,0,1]=4 330 B10R2.37 [C@@H]12CCC(=O)CC[C@@H]1C2 T181390 [0,0,0,2,0,0|1,0,0]=3 331 B10R2.42 O=C1OC(=O)C2C1CC2 T169056 [0,0,0,2,0,0|1,0,1]=4 332 B10R2.42 [C@H]12CC[C@H]1C(=O)OC2=O T181250 [0,0,0,2,0,0|1,0,1]=4 333 B10R2.179 CC12CCCC(=O)C1C2 T179531 [0,0,0,2,0,0|1,0,0]=3 334 B10R2.43 O=C1OC(=O)C2CC1C2 T192104 [0,0,0,2,0,0|1,0,1]=4