0 B6R0.1 C(C#N)C(=O)NN C117444 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C(C(=O)NCO)Cl C169257 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 C=CC(=O)NCO M108949 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 C=CC(=O)NCO N492407 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CC#CC(=O)OC M158860 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.1 CC(CCO)OC M102190 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CC(COC)OC D155537 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CC=CC(=O)OC M109486 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.1 CCC(=O)C=CC E404567 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.1 CCC(=O)C=CC H111425 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.1 CCC(=O)OC=C V162937 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 CCC(=O)OCC E103457 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CCC(=O)OCC E103458 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CCC(=O)OCC E103459 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.1 CCC(=O)OCC E103460 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCC(=O)OCC E278958 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 CCC(=O)SCC S133123 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 CCC(C)OCC S161060 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CCC(CCN)N D155073 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 CCC(COC)N A151357 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 CCC(COC)O M158749 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.1 CCC=C(C)C=O M102187 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 CCCC(=O)CC H106710 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.1 CCCC(=O)NN B183968 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.1 CCCC(=O)OC M100038 [0,0,0,0,0,0|0,0,0]=0 25 B6R0.1 CCCC(=O)OC M100039 [0,0,0,0,0,0|0,0,0]=0 26 B6R0.1 CCCC(=O)OC M100040 [0,0,0,0,0,0|0,0,0]=0 27 B6R0.1 CCCC(=O)SC M102997 [0,0,0,0,0,0|0,1,0]=1 28 B6R0.1 CCCC(C#C)O H101580 [0,0,0,0,0,0|1,0,3]=4 29 B6R0.1 CCCC(C)C=O M158691 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 CCCC(C)CC M158521 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.1 CCCC(C)CO M113625 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 CCCC(C=C)O H157268 [0,0,0,0,0,0|1,0,3]=4 33 B6R0.1 CCCC(CC)Br B152444 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.1 CCCC(CC)Cl C153662 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.1 CCCC(CC)O H133955 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.1 CCCC(CO)N D333561 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.1 CCCC(CO)N I168777 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.1 CCCC(CO)O P108068 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.1 CCNC(=O)C=C N136947 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.1 CCNC(=S)NN E468698 [0,0,0,0,0,0|3,1,0]=4 41 B6R0.1 CCOC(=NO)C E124202 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.1 CCOC(=O)C#C E107738 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.1 CCOC(=O)C#C E357742 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.1 CCOC(=O)C#N E106582 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.1 CCOC(=O)C#N E298724 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.1 CCOC(=O)C=C E112943 [0,0,0,0,0,0|2,0,1]=3 47 B6R0.1 CCOC(=O)C=C E112944 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.1 CCOC(=O)C=C E112945 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.1 CCOC(=O)C=C E465763 [0,0,0,0,0,0|2,0,1]=3 50 B6R0.1 CCOC(=O)C=O E106246 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.1 CCOC(=O)CBr E106090 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.1 CCOC(=O)CCl E105166 [0,0,0,0,0,0|3,0,0]=3 53 B6R0.1 CCOC(=O)CCl E105167 [0,0,0,0,0,0|3,0,0]=3 54 B6R0.1 CCOC(=O)CF E107563 [0,0,0,0,0,0|3,0,0]=3 55 B6R0.1 CCOC(=O)CN G105477 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.1 CCOC(=O)CO E101730 [0,0,0,0,0,0|3,0,0]=3 57 B6R0.1 CCOC(=O)CS E109439 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.1 CCOC(=O)NN E133700 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.1 CCOC(=O)OC E110111 [0,0,0,0,0,0|1,0,0]=1 60 B6R0.1 CCOC(=O)OC E433135 [0,0,0,0,0,0|1,0,0]=1 61 B6R0.1 CNC(=O)CC#N C185694 [0,0,0,0,0,0|2,0,1]=3 62 B6R0.1 COC(=O)C=CI E589680 [0,0,0,0,0,0|1,0,2]=3 63 B6R0.1 COC(=O)CC#N M110112 [0,0,0,0,0,0|1,0,1]=2 64 B6R0.1 COC(=O)CC=C M341924 [0,0,0,0,0,0|0,0,2]=2 65 B6R0.1 COC(=O)CCBr M158830 [0,0,0,0,0,0|1,0,0]=1 66 B6R0.1 COC(=O)CCN A104532 [0,0,0,0,0,0|1,0,0]=1 67 B6R0.1 COC(=O)CCO D304149 [0,0,0,0,0,0|1,0,0]=1 68 B6R0.1 COC(=O)CCS M107600 [0,0,0,0,0,0|1,0,0]=1 69 B6R0.1 COC(=O)CSC M120419 [0,0,0,0,0,0|1,0,0]=1 70 B6R0.1 COC(=O)C[N+]#[C-] M157837 [0,0,0,0,0,0|1,0,1]=2 71 B6R0.1 COC(=O)OCCl C347908 [0,0,0,0,0,0|2,0,0]=2 72 B6R0.1 COCC(=O)OC M106398 [0,0,0,0,0,0|1,0,0]=1 73 B5R0.1 B(CCC)(O)O P120303 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.1 C#CCC(=O)O B168856 [1,0,0,0,0,0|0,0,2]=3 75 B5R0.1 C(C#N)C(=O)N C101310 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 C(C#N)C(=O)O C105698 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.1 C(C#N)C(=O)[O-] S586305 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 C(C(=O)O)ON C109697 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 C(CBr)C(=O)Cl B135557 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 C(CBr)C(=O)N B152335 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 C(CBr)C(=O)O B106081 [1,0,0,0,0,0|1,0,0]=2 82 B5R0.1 C(CCl)C(=O)Cl C109466 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.1 C(CCl)C(=O)N C171099 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.1 C(CCl)C(=O)O C106515 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.1 C(CI)C(=O)O I157542 [1,0,0,0,0,0|1,0,0]=2 86 B5R0.1 C(CN)C(=O)N B135870 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.1 C(CN)C(=O)O A105703 [1,0,0,0,0,0|1,0,0]=2 88 B5R0.1 C(CN)C(=O)O A137901 [1,0,0,0,0,0|1,0,0]=2 89 B5R0.1 C(CN)C(=O)O A494514 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.1 C(CO)C(=O)O H136635 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.1 C(CO)[N+](=O)[O-] N110256 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 C(CS(=O)O)N H303371 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.1 C(CS)C(=O)O M103035 [1,0,0,0,0,0|1,0,0]=2 94 B5R0.1 C(CS)C(=O)O M103036 [1,0,0,0,0,0|1,0,0]=2 95 B5R0.1 C(CS)C(=O)O M590994 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.1 C(OC(=O)Cl)Cl C153890 [1,0,0,0,0,0|3,0,0]=4 97 B5R0.1 C=CCC(=O)O B152769 [1,0,0,0,0,0|0,0,2]=3 98 B5R0.1 C=CCC(=O)O B152771 [1,0,0,0,0,0|0,0,2]=3 99 B5R0.1 CC#CC(=O)O B113384 [1,0,0,0,0,0|0,0,2]=3 100 B5R0.1 CC(=C)CCO M158231 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.1 CC(=CCBr)C D104495 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 CC(=CCBr)C D104497 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.1 CC(=CCCl)C C189147 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 CC(=CCCl)C C638572 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.1 CC(=CCO)C M106454 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 CC(=CCO)C M106455 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 CC(=O)CCO H106330 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.1 CC(=O)COC M158844 [1,0,0,0,0,0|1,0,0]=2 109 B5R0.1 CC(=O)NC=C N159504 [1,0,0,0,0,0|1,0,2]=4 110 B5R0.1 CC(=O)NCO A151630 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.1 CC(=O)OC=C P101483 [1,0,0,0,0,0|1,0,2]=4 112 B5R0.1 CC(=O)OC=C P101485 [1,0,0,0,0,0|1,0,2]=4 113 B5R0.1 CC(=O)OC=C P101486 [1,0,0,0,0,0|1,0,2]=4 114 B5R0.1 CC(=O)OC=C P301634 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.1 CC(=O)OC=C P304876 [1,0,0,0,0,0|1,0,2]=4 116 B5R0.1 CC(=O)OC=C P304877 [1,0,0,0,0,0|1,0,2]=4 117 B5R0.1 CC(=O)OC=C P304879 [1,0,0,0,0,0|1,0,2]=4 118 B5R0.1 CC(=O)OC=C P304880 [1,0,0,0,0,0|1,0,2]=4 119 B5R0.1 CC(=O)OC=C P304881 [1,0,0,0,0,0|1,0,2]=4 120 B5R0.1 CC(=O)OC=C P432376 [1,0,0,0,0,0|1,0,2]=4 121 B5R0.1 CC(=O)OC=C P489072 [1,0,0,0,0,0|1,0,2]=4 122 B5R0.1 CC(=O)OC=C V104470 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.1 CC(=O)OC=C V104471 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.1 CC(=O)OC=C V104472 [1,0,0,0,0,0|1,0,2]=4 125 B5R0.1 CC(=O)OCBr B122544 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.1 CC(=O)OCCl C194261 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.1 CC(C)CCBr I109279 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 CC(C)CCCl C105682 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 CC(C)CCI I100674 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 CC(C)CCN I109581 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 CC(C)CCN I404590 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.1 CC(C)CCO M116196 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.1 CC(C)CCO M116197 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.1 CC(C)CCO M116198 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.1 CC(C)CCO M116200 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.1 CC(C)CCO M116201 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 CC(C)CCO M119838 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.1 CC(C)CCS M101609 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.1 CC(CCBr)Br D155315 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 CC(CCBr)O B589640 [1,0,0,0,0,0|1,0,2]=4 141 B5R0.1 CC(CCCl)Cl D155308 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.1 CC(CCO)N A123608 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.1 CC(CCO)N A183438 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 CC(CCO)N S176942 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.1 CC(CCO)O B111016 [1,0,0,0,0,0|1,0,2]=4 146 B5R0.1 CC(CCO)O B111017 [1,0,0,0,0,0|1,0,2]=4 147 B5R0.1 CC(CCO)O B111018 [1,0,0,0,0,0|1,0,2]=4 148 B5R0.1 CC(CCO)O B119672 [1,0,0,0,0,0|1,0,2]=4 149 B5R0.1 CC(CCO)O R160960 [1,0,0,0,0,0|1,0,2]=4 150 B5R0.1 CC(CCO)O S138551 [1,0,0,0,0,0|1,0,2]=4 151 B5R0.1 CC(CNC)O M587581 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.1 CC(COC)N M169973 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.1 CC(COC)N S475332 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.1 CC(COC)N S586466 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.1 CC(COC)O M105264 [1,0,0,0,0,0|1,0,2]=4 156 B5R0.1 CC(COC)O M105265 [1,0,0,0,0,0|1,0,2]=4 157 B5R0.1 CC(COC)O M105266 [1,0,0,0,0,0|1,0,2]=4 158 B5R0.1 CC(COC)O M299436 [1,0,0,0,0,0|1,0,2]=4 159 B5R0.1 CC(COC)O R160841 [1,0,0,0,0,0|1,0,2]=4 160 B5R0.1 CC(COC)O S161357 [1,0,0,0,0,0|1,0,2]=4 161 B5R0.1 CC=CC(=O)C P139100 [1,0,0,0,0,0|0,0,2]=3 162 B5R0.1 CC=CC(=O)Cl C102055 [1,0,0,0,0,0|1,0,2]=4 163 B5R0.1 CC=CC(=O)Cl C153881 [1,0,0,0,0,0|1,0,2]=4 164 B5R0.1 CC=CC(=O)N C153720 [1,0,0,0,0,0|1,0,2]=4 165 B5R0.1 CC=CC(=O)O C104149 [1,0,0,0,0,0|0,0,2]=3 166 B5R0.1 CC=CC(=O)O C104150 [1,0,0,0,0,0|0,0,2]=3 167 B5R0.1 CCC=C(C)C M158233 [1,0,0,0,0,0|1,0,1]=3 168 B5R0.1 CCCC(=C)C M158211 [1,0,0,0,0,0|1,0,0]=2 169 B5R0.1 CCCC(=O)C P103780 [1,0,0,0,0,0|0,0,0]=1 170 B5R0.1 CCCC(=O)C P103781 [1,0,0,0,0,0|0,0,0]=1 171 B5R0.1 CCCC(=O)C P103782 [1,0,0,0,0,0|0,0,0]=1 172 B5R0.1 CCCC(=O)C P103783 [1,0,0,0,0,0|0,0,0]=1 173 B5R0.1 CCCC(=O)Cl B108666 [1,0,0,0,0,0|1,0,0]=2 174 B5R0.1 CCCC(=O)N B152329 [1,0,0,0,0,0|1,0,0]=2 175 B5R0.1 CCCC(=O)O B110438 [1,0,0,0,0,0|0,0,0]=1 176 B5R0.1 CCCC(=O)O B110439 [1,0,0,0,0,0|0,0,0]=1 177 B5R0.1 CCCC(=O)O B110440 [1,0,0,0,0,0|0,0,0]=1 178 B5R0.1 CCCC(=O)O B110442 [1,0,0,0,0,0|0,0,0]=1 179 B5R0.1 CCCC(=O)O B274612 [1,0,0,0,0,0|0,0,0]=1 180 B5R0.1 CCCC(=O)O B431361 [1,0,0,0,0,0|0,0,0]=1 181 B5R0.1 CCCC(=O)[O-] S102954 [1,0,0,0,0,0|0,0,1]=2 182 B5R0.1 CCCC(=O)[O-] S102956 [1,0,0,0,0,0|0,0,1]=2 183 B5R0.1 CCCC(=O)[O-] S346178 [1,0,0,0,0,0|0,0,1]=2 184 B5R0.1 CCCC(=O)[O-] S421873 [1,0,0,0,0,0|0,0,1]=2 185 B5R0.1 CCCC(C)Br B400517 [1,0,0,0,0,0|1,0,1]=3 186 B5R0.1 CCCC(C)C I157548 [1,0,0,0,0,0|1,0,1]=3 187 B5R0.1 CCCC(C)C M105775 [1,0,0,0,0,0|1,0,1]=3 188 B5R0.1 CCCC(C)C M105776 [1,0,0,0,0,0|1,0,1]=3 189 B5R0.1 CCCC(C)C M105777 [1,0,0,0,0,0|1,0,1]=3 190 B5R0.1 CCCC(C)C M105778 [1,0,0,0,0,0|1,0,1]=3 191 B5R0.1 CCCC(C)C M137744 [1,0,0,0,0,0|1,0,1]=3 192 B5R0.1 CCCC(C)Cl C467357 [1,0,0,0,0,0|1,0,1]=3 193 B5R0.1 CCCC(C)N A151353 [1,0,0,0,0,0|1,0,1]=3 194 B5R0.1 CCCC(C)O P103442 [1,0,0,0,0,0|0,0,2]=3 195 B5R0.1 CCCC(C)O P103443 [1,0,0,0,0,0|0,0,2]=3 196 B5R0.1 CCCC(C)O R138651 [1,0,0,0,0,0|0,0,2]=3 197 B5R0.1 CCCC(C)O S138580 [1,0,0,0,0,0|0,0,2]=3 198 B5R0.1 CCCN(C)C N404354 [1,0,0,0,0,0|2,0,0]=3 199 B5R0.1 CCC[N+](=O)[O-] N109053 [1,0,0,0,0,0|1,0,1]=3 200 B5R0.1 CCNC(=O)C I135660 [1,0,0,0,0,0|1,0,0]=2 201 B5R0.1 CCNC(=O)N E105944 [1,0,0,0,0,0|2,0,0]=3 202 B5R0.1 CCNC(=S)N E346726 [1,0,0,0,0,0|2,1,0]=4 203 B5R0.1 CCNC(C)C N159098 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.1 CCOC(=N)C E132730 [1,0,0,0,0,0|2,0,0]=3 205 B5R0.1 CCOC(=N)N O183619 [1,0,0,0,0,0|3,0,0]=4 206 B5R0.1 CCOC(=O)C E116131 [1,0,0,0,0,0|1,0,0]=2 207 B5R0.1 CCOC(=O)C E116132 [1,0,0,0,0,0|1,0,0]=2 208 B5R0.1 CCOC(=O)C E116133 [1,0,0,0,0,0|1,0,0]=2 209 B5R0.1 CCOC(=O)C E116134 [1,0,0,0,0,0|1,0,0]=2 210 B5R0.1 CCOC(=O)C E116135 [1,0,0,0,0,0|1,0,0]=2 211 B5R0.1 CCOC(=O)C E116136 [1,0,0,0,0,0|1,0,0]=2 212 B5R0.1 CCOC(=O)C E116137 [1,0,0,0,0,0|1,0,0]=2 213 B5R0.1 CCOC(=O)C E116138 [1,0,0,0,0,0|1,0,0]=2 214 B5R0.1 CCOC(=O)C E116139 [1,0,0,0,0,0|1,0,0]=2 215 B5R0.1 CCOC(=O)C E116141 [1,0,0,0,0,0|1,0,0]=2 216 B5R0.1 CCOC(=O)C E116142 [1,0,0,0,0,0|1,0,0]=2 217 B5R0.1 CCOC(=O)C E119698 [1,0,0,0,0,0|1,0,0]=2 218 B5R0.1 CCOC(=O)C E141165 [1,0,0,0,0,0|1,0,0]=2 219 B5R0.1 CCOC(=O)C E302266 [1,0,0,0,0,0|1,0,0]=2 220 B5R0.1 CCOC(=O)C E432070 [1,0,0,0,0,0|1,0,0]=2 221 B5R0.1 CCOC(=O)N C266075 [1,0,0,0,0,0|2,0,0]=3 222 B5R0.1 CCOC(=O)N E424443 [1,0,0,0,0,0|2,0,0]=3 223 B5R0.1 CCOC(=O)N U108629 [1,0,0,0,0,0|2,0,0]=3 224 B5R0.1 CCOC(=O)N U299635 [1,0,0,0,0,0|2,0,0]=3 225 B5R0.1 CCOC(=S)[S-] P110999 [1,0,0,0,0,0|1,2,0]=4 226 B5R0.1 CCOC(=S)[S-] P111000 [1,0,0,0,0,0|1,2,0]=4 227 B5R0.1 CCOC(=S)[S-] S161075 [1,0,0,0,0,0|1,2,0]=4 228 B5R0.1 CCOC(=S)[S-] S298709 [1,0,0,0,0,0|1,2,0]=4 229 B5R0.1 CCO[Si](=O)O E302202 [1,0,0,0,0,0|1,1,0]=3 230 B5R0.1 CCO[Si](C)C D191031 [1,0,0,0,0,0|2,1,0]=4 231 B5R0.1 CCSC(=N)N S161123 [1,0,0,0,0,0|3,0,0]=4 232 B5R0.1 CCSC(=O)C E107950 [1,0,0,0,0,0|1,0,0]=2 233 B5R0.1 CCSC(=S)C E338928 [1,0,0,0,0,0|1,1,0]=3 234 B5R0.1 CN(C)CCBr B183437 [1,0,0,0,0,0|3,0,0]=4 235 B5R0.1 CN(C)CCN D105347 [1,0,0,0,0,0|3,0,0]=4 236 B5R0.1 CN(C)CCN N404297 [1,0,0,0,0,0|3,0,0]=4 237 B5R0.1 CN(C)CCN N404298 [1,0,0,0,0,0|3,0,0]=4 238 B5R0.1 CN(C)CCO D109078 [1,0,0,0,0,0|3,0,0]=4 239 B5R0.1 CN(C)CCO D109079 [1,0,0,0,0,0|3,0,0]=4 240 B5R0.1 CN(C)CCO D109080 [1,0,0,0,0,0|3,0,0]=4 241 B5R0.1 CNCC(=O)N S115899 [1,0,0,0,0,0|2,0,0]=3 242 B5R0.1 CNCC(=O)O S102891 [1,0,0,0,0,0|1,0,0]=2 243 B5R0.1 CNCC(=O)O S113893 [1,0,0,0,0,0|1,0,0]=2 244 B5R0.1 CNCC(=O)O S420541 [1,0,0,0,0,0|1,0,0]=2 245 B5R0.1 CNCC(=O)[O-] S189142 [1,0,0,0,0,0|1,0,1]=3 246 B5R0.1 COCC(=O)Cl M124203 [1,0,0,0,0,0|2,0,0]=3 247 B5R0.1 COCC(=O)O M158057 [1,0,0,0,0,0|1,0,0]=2 248 B5R0.1 CSCC(=O)N M158330 [1,0,0,0,0,0|2,0,0]=3 249 B5R0.1 CSCC(=O)O M168970 [1,0,0,0,0,0|1,0,0]=2 250 B5R0.1 CSCS(=O)C M158415 [1,0,0,0,0,0|2,0,0]=3 251 B5R0.2 CC#CCCO P160656 [1,0,0,0,0,0|2,0,1]=4 252 B5R0.2 CC=CC=CC H113628 [1,0,0,0,0,0|1,0,2]=4 253 B5R0.2 CC=CCC#N P338284 [1,0,0,0,0,0|2,0,1]=4 254 B5R0.2 CC=CCC=C H157263 [1,0,0,0,0,0|1,0,2]=4 255 B5R0.2 CC=CCC=C T162375 [1,0,0,0,0,0|1,0,2]=4 256 B5R0.2 CCC#CCC H157357 [1,0,0,0,0,0|1,0,2]=4 257 B5R0.2 CCC=CC#N P160478 [1,0,0,0,0,0|2,0,1]=4 258 B5R0.2 CCC=CC=O T161487 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.2 CCC=CCC C153487 [1,0,0,0,0,0|1,0,1]=3 260 B5R0.2 CCC=CCC H157267 [1,0,0,0,0,0|1,0,1]=3 261 B5R0.2 CCC=CCC T162372 [1,0,0,0,0,0|1,0,1]=3 262 B5R0.2 CCC=CCO C153493 [1,0,0,0,0,0|2,0,1]=4 263 B5R0.2 CCC=CCO T299958 [1,0,0,0,0,0|2,0,1]=4 264 B5R0.2 CCCC#CC H157356 [1,0,0,0,0,0|1,0,1]=3 265 B5R0.2 CCCC=CC C153486 [1,0,0,0,0,0|1,0,0]=2 266 B5R0.2 CCCC=CC H157262 [1,0,0,0,0,0|1,0,0]=2 267 B5R0.2 CCCC=CC T162371 [1,0,0,0,0,0|1,0,0]=2 268 B5R0.2 CCCC=NO B152406 [1,0,0,0,0,0|2,0,0]=3 269 B5R0.2 CCCCC#C H106703 [1,0,0,0,0,0|1,0,2]=4 270 B5R0.2 CCCCC#N B100431 [1,0,0,0,0,0|2,0,1]=4 271 B5R0.2 CCCCC#N B100432 [1,0,0,0,0,0|2,0,1]=4 272 B5R0.2 CCCCC=C H109530 [1,0,0,0,0,0|1,0,2]=4 273 B5R0.2 CCCCC=C H109531 [1,0,0,0,0,0|1,0,2]=4 274 B5R0.2 CCCCC=C H109532 [1,0,0,0,0,0|1,0,2]=4 275 B5R0.2 CCCCC=C H109533 [1,0,0,0,0,0|1,0,2]=4 276 B5R0.2 CCCCC=O V103717 [1,0,0,0,0,0|2,0,1]=4 277 B5R0.2 CCCCCBr B104782 [1,0,0,0,0,0|2,0,1]=4 278 B5R0.2 CCCCCBr B305762 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.2 CCCCCC H100107 [1,0,0,0,0,0|1,0,1]=3 280 B5R0.2 CCCCCC H109653 [1,0,0,0,0,0|1,0,1]=3 281 B5R0.2 CCCCCC H109654 [1,0,0,0,0,0|1,0,1]=3 282 B5R0.2 CCCCCC H109656 [1,0,0,0,0,0|1,0,1]=3 283 B5R0.2 CCCCCC H109659 [1,0,0,0,0,0|1,0,1]=3 284 B5R0.2 CCCCCC H119662 [1,0,0,0,0,0|1,0,1]=3 285 B5R0.2 CCCCCC H121283 [1,0,0,0,0,0|1,0,1]=3 286 B5R0.2 CCCCCC H140380 [1,0,0,0,0,0|1,0,1]=3 287 B5R0.2 CCCCCC H298923 [1,0,0,0,0,0|1,0,1]=3 288 B5R0.2 CCCCCC N431441 [1,0,0,0,0,0|1,0,1]=3 289 B5R0.2 CCCCCCl C109473 [1,0,0,0,0,0|2,0,1]=4 290 B5R0.2 CCCCCCl C109474 [1,0,0,0,0,0|2,0,1]=4 291 B5R0.2 CCCCCF F171115 [1,0,0,0,0,0|2,0,1]=4 292 B5R0.2 CCCCCI I104798 [1,0,0,0,0,0|2,0,1]=4 293 B5R0.2 CCCCCN A105343 [1,0,0,0,0,0|2,0,1]=4 294 B5R0.2 CCCCCN P292685 [1,0,0,0,0,0|2,0,1]=4 295 B5R0.2 CCCCCN P292697 [1,0,0,0,0,0|2,0,1]=4 296 B5R0.2 CCCCCN P292701 [1,0,0,0,0,0|2,0,1]=4 297 B5R0.2 CCCCCN P494144 [1,0,0,0,0,0|2,0,1]=4 298 B5R0.2 CCCCCO N350217 [1,0,0,0,0,0|2,0,1]=4 299 B5R0.2 CCCCCO P108125 [1,0,0,0,0,0|2,0,1]=4 300 B5R0.2 CCCCCO P108126 [1,0,0,0,0,0|2,0,1]=4 301 B5R0.2 CCCCCO P108127 [1,0,0,0,0,0|2,0,1]=4 302 B5R0.2 CCCCCO P108128 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.2 CCCCCO P108129 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.2 CCCCCO P108130 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.2 CCCCCS A100028 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.2 CCCCOC B152821 [1,0,0,0,0,0|0,0,1]=2 307 B5R0.2 CCCCON O184596 [1,0,0,0,0,0|1,0,1]=3 308 B5R0.2 CCCCSC B152508 [1,0,0,0,0,0|0,1,1]=3 309 B5R0.2 CCCC[Sn]Cl B302420 [1,0,0,0,0,0|2,0,1]=4 310 B5R0.2 CCCN=C=S P140610 [1,0,0,0,0,0|3,0,0]=4 311 B5R0.2 CCCNCC N159096 [1,0,0,0,0,0|2,0,0]=3 312 B5R0.2 CCCOC=C P137362 [1,0,0,0,0,0|2,0,1]=4 313 B5R0.2 CCCOC=O P160055 [1,0,0,0,0,0|3,0,0]=4 314 B5R0.2 CCCOCC E156162 [1,0,0,0,0,0|2,0,0]=3 315 B5R0.2 CCCSCC E134963 [1,0,0,0,0,0|2,0,0]=3 316 B5R0.2 CCCSSC M103114 [1,0,0,0,0,0|1,1,0]=3 317 B5R0.2 CCNCCN N138023 [1,0,0,0,0,0|3,0,0]=4 318 B5R0.2 CCNCCO E156112 [1,0,0,0,0,0|3,0,0]=4 319 B5R0.2 CCNCCO E301665 [1,0,0,0,0,0|3,0,0]=4 320 B5R0.2 CCNNCC D487275 [1,0,0,0,0,0|3,0,0]=4 321 B5R0.2 CCOC=CC E122346 [1,0,0,0,0,0|2,0,0]=3 322 B5R0.2 CCOCCBr B152837 [1,0,0,0,0,0|3,0,0]=4 323 B5R0.2 CCOCCCl C153264 [1,0,0,0,0,0|3,0,0]=4 324 B5R0.2 CCOCCN E156296 [1,0,0,0,0,0|3,0,0]=4 325 B5R0.2 CCOCCO E110821 [1,0,0,0,0,0|3,0,0]=4 326 B5R0.2 CCOCCO E110822 [1,0,0,0,0,0|3,0,0]=4 327 B5R0.2 CCOCCO E118463 [1,0,0,0,0,0|3,0,0]=4 328 B5R0.2 CCSCCCl C102885 [1,0,0,0,0,0|3,0,0]=4 329 B5R0.2 CCSCCN E170901 [1,0,0,0,0,0|3,0,0]=4 330 B5R0.2 CCSCCN E300178 [1,0,0,0,0,0|3,0,0]=4 331 B5R0.2 CCSCCO E156428 [1,0,0,0,0,0|3,0,0]=4 332 B5R0.2 CCSSCC D140646 [1,0,0,0,0,0|3,0,0]=4 333 B5R0.2 CC[Se][Se]CC D155798 [1,0,0,0,0,0|3,0,0]=4 334 B5R0.2 CNCCCN N104493 [1,0,0,0,0,0|2,0,1]=4 335 B5R0.2 CNCCCO M133702 [1,0,0,0,0,0|2,0,1]=4 336 B5R0.2 CNCCNC D106275 [1,0,0,0,0,0|2,0,1]=4 337 B5R0.2 CNCCOC N159090 [1,0,0,0,0,0|1,0,1]=3 338 B5R0.2 COCCC#N M158577 [1,0,0,0,0,0|1,0,2]=4 339 B5R0.2 COCCCBr B136284 [1,0,0,0,0,0|1,0,1]=3 340 B5R0.2 COCCCCl C108061 [1,0,0,0,0,0|1,0,1]=3 341 B5R0.2 COCCCN M134485 [1,0,0,0,0,0|1,0,1]=3 342 B5R0.2 COCCCN M587821 [1,0,0,0,0,0|1,0,1]=3 343 B5R0.2 COCCCO M107732 [1,0,0,0,0,0|1,0,1]=3 344 B5R0.2 COCCOC D299631 [1,0,0,0,0,0|1,0,1]=3 345 B5R0.2 COCCOC E104387 [1,0,0,0,0,0|1,0,1]=3 346 B5R0.2 COCCOC E104388 [1,0,0,0,0,0|1,0,1]=3 347 B5R0.2 COCCOC E104391 [1,0,0,0,0,0|1,0,1]=3 348 B5R0.2 COCCOC E119676 [1,0,0,0,0,0|1,0,1]=3 349 B5R0.2 COCCOC I282413 [1,0,0,0,0,0|1,0,1]=3 350 B5R0.2 COCCOC P107530 [1,0,0,0,0,0|1,0,1]=3 351 B5R0.2 COCCOC P432396 [1,0,0,0,0,0|1,0,1]=3 352 B5R0.2 COCCOC P432397 [1,0,0,0,0,0|1,0,1]=3 353 B5R0.2 COCCOC P432398 [1,0,0,0,0,0|1,0,1]=3 354 B5R0.2 CSCCCN M158420 [1,0,0,0,0,0|1,1,1]=4 355 B5R0.2 CSCCCO M102967 [1,0,0,0,0,0|1,1,1]=4 356 B5R0.3 C(C(=O)CBr)Br D139292 [1,0,0,0,0,0|3,0,0]=4 357 B5R0.3 C(C(=O)NN)O H192943 [1,0,0,0,0,0|3,0,0]=4 358 B5R0.3 CC(CO)OC R194193 [1,0,0,0,0,0|2,0,1]=4 359 B5R0.3 CC(OC)OC D155919 [1,0,0,0,0,0|2,0,1]=4 360 B5R0.3 CCC(=C)C=O E189230 [1,0,0,0,0,0|3,0,0]=4 361 B5R0.3 CCC(=C)CC E156179 [1,0,0,0,0,0|2,0,0]=3 362 B5R0.3 CCC(=CC)C T162381 [1,0,0,0,0,0|2,0,0]=3 363 B5R0.3 CCC(=NO)C B105233 [1,0,0,0,0,0|3,0,0]=4 364 B5R0.3 CCC(=NO)N P138620 [1,0,0,0,0,0|3,0,0]=4 365 B5R0.3 CCC(=O)CC P103791 [1,0,0,0,0,0|1,0,0]=2 366 B5R0.3 CCC(=O)CC P103792 [1,0,0,0,0,0|1,0,0]=2 367 B5R0.3 CCC(=O)CC P103794 [1,0,0,0,0,0|1,0,0]=2 368 B5R0.3 CCC(=O)CO H193640 [1,0,0,0,0,0|2,0,0]=3 369 B5R0.3 CCC(=O)NC N159394 [1,0,0,0,0,0|1,0,0]=2 370 B5R0.3 CCC(=O)NN P342062 [1,0,0,0,0,0|2,0,0]=3 371 B5R0.3 CCC(=O)OC M110420 [1,0,0,0,0,0|0,0,0]=1 372 B5R0.3 CCC(=O)OC M110421 [1,0,0,0,0,0|0,0,0]=1 373 B5R0.3 CCC(=O)OC M110422 [1,0,0,0,0,0|0,0,0]=1 374 B5R0.3 CCC(=O)OC M491732 [1,0,0,0,0,0|0,0,0]=1 375 B5R0.3 CCC(=O)SC S404755 [1,0,0,0,0,0|0,1,0]=2 376 B5R0.3 CCC(C)CC M109051 [1,0,0,0,0,0|2,0,1]=4 377 B5R0.3 CCC(C)CC M109052 [1,0,0,0,0,0|2,0,1]=4 378 B5R0.3 CCC(C)OC S161061 [1,0,0,0,0,0|1,0,1]=3 379 B5R0.3 CCC(CC)Br B106965 [1,0,0,0,0,0|2,0,1]=4 380 B5R0.3 CCC(CC)N A133949 [1,0,0,0,0,0|2,0,1]=4 381 B5R0.3 CCC(CC)O P109359 [1,0,0,0,0,0|1,0,2]=4 382 B5R0.3 CCN(C)CC N159249 [1,0,0,0,0,0|3,0,0]=4 383 B5R0.3 CCN(CC)O D109383 [1,0,0,0,0,0|2,0,1]=4 384 B5R0.3 CCN(CC)O N432573 [1,0,0,0,0,0|2,0,1]=4 385 B5R0.3 CCS(=O)CC E589941 [1,0,0,0,0,0|2,0,0]=3 386 B5R0.3 CC[P+](=O)CC D332476 [1,0,0,0,0,0|2,0,0]=3 387 B5R0.3 CC[Si](C)CC D337339 [1,0,0,0,0,0|2,1,0]=4 388 B5R0.3 CNC(=O)C=C N189941 [1,0,0,0,0,0|1,0,2]=4 389 B5R0.3 CNC(=O)CBr B588815 [1,0,0,0,0,0|2,0,0]=3 390 B5R0.3 CNC(=O)CCl C124467 [1,0,0,0,0,0|2,0,0]=3 391 B5R0.3 CNC(=O)CN A182951 [1,0,0,0,0,0|2,0,0]=3 392 B5R0.3 CNC(=O)CS M124593 [1,0,0,0,0,0|2,0,0]=3 393 B5R0.3 CNC(=O)NC D104702 [1,0,0,0,0,0|2,0,0]=3 394 B5R0.3 CNC(=S)NC D154881 [1,0,0,0,0,0|2,1,0]=4 395 B5R0.3 COC(=O)C#C M106792 [1,0,0,0,0,0|0,0,2]=3 396 B5R0.3 COC(=O)C=C M100029 [1,0,0,0,0,0|0,0,2]=3 397 B5R0.3 COC(=O)C=C M100030 [1,0,0,0,0,0|0,0,2]=3 398 B5R0.3 COC(=O)C=C M100032 [1,0,0,0,0,0|0,0,2]=3 399 B5R0.3 COC(=O)C=C M100033 [1,0,0,0,0,0|0,0,2]=3 400 B5R0.3 COC(=O)CBr M106900 [1,0,0,0,0,0|1,0,0]=2 401 B5R0.3 COC(=O)CCl M104120 [1,0,0,0,0,0|1,0,0]=2 402 B5R0.3 COC(=O)CCl M104121 [1,0,0,0,0,0|1,0,0]=2 403 B5R0.3 COC(=O)CCl M305846 [1,0,0,0,0,0|1,0,0]=2 404 B5R0.3 COC(=O)CN G105475 [1,0,0,0,0,0|1,0,0]=2 405 B5R0.3 COC(=O)CO M101718 [1,0,0,0,0,0|1,0,0]=2 406 B5R0.3 COC(=O)CS M103140 [1,0,0,0,0,0|1,0,0]=2 407 B5R0.3 COC(=O)NN M106002 [1,0,0,0,0,0|2,0,0]=3 408 B5R0.3 COC(=O)OC D110623 [1,0,0,0,0,0|1,0,0]=2 409 B5R0.3 COC(=O)OC D110625 [1,0,0,0,0,0|1,0,0]=2 410 B5R0.3 COC(=O)OC D119695 [1,0,0,0,0,0|1,0,0]=2 411 B5R0.3 COC(=O)OC D294884 [1,0,0,0,0,0|1,0,0]=2 412 B5R0.3 COC(=O)OC D433121 [1,0,0,0,0,0|1,0,0]=2 413 B5R0.3 COC(=O)OC D433122 [1,0,0,0,0,0|1,0,0]=2 414 B5R0.3 COC(=O)OC D433123 [1,0,0,0,0,0|1,0,0]=2 415 B5R0.3 COS(=O)OC D106795 [1,0,0,0,0,0|2,0,0]=3 416 B5R0.3 CO[P+](=O)OC D304802 [1,0,0,0,0,0|2,0,0]=3 417 B5R0.3 CSC(=S)SC D349451 [1,0,0,0,0,0|1,2,0]=4 418 B7R0.2 CC(=CC(=O)OC)C M102001 [0,1,0,0,0,0|0,0,2]=3 419 B7R0.2 CC(=CC(=O)OC)N A102015 [0,1,0,0,0,0|0,0,2]=3 420 B7R0.2 CC(=O)CC(=O)OC M108598 [0,1,0,0,0,0|0,0,1]=2 421 B7R0.2 CC(=O)CC(=O)OC M108599 [0,1,0,0,0,0|0,0,1]=2 422 B7R0.2 CC(=O)CC(=O)OC M108601 [0,1,0,0,0,0|0,0,1]=2 423 B7R0.2 CC(=O)NC(=O)NC A151230 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.2 CC(C)CC(=NO)C M302141 [0,1,0,0,0,0|3,0,0]=4 425 B7R0.2 CC(C)CC(=O)OC M157988 [0,1,0,0,0,0|0,0,0]=1 426 B7R0.2 CC(C)NC(=O)C=C I106818 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.2 CC(C)NC(=O)C=C P303215 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.2 CC(C)NC(=O)C=C P432408 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.2 CC(C)NC(=O)CBr B194928 [0,1,0,0,0,0|3,0,0]=4 430 B7R0.2 CC(C)OC(=O)C=C I589892 [0,1,0,0,0,0|2,0,1]=4 431 B7R0.2 CC(C)OC(=O)CCl I157694 [0,1,0,0,0,0|3,0,0]=4 432 B7R0.2 CC(CC(=O)OC)N R190811 [0,1,0,0,0,0|0,0,0]=1 433 B7R0.2 CC(CC(=O)OC)N S587134 [0,1,0,0,0,0|0,0,0]=1 434 B7R0.2 CC(CC(=O)OC)O H124084 [0,1,0,0,0,0|0,0,0]=1 435 B7R0.2 CC(CC(=O)OC)O H124101 [0,1,0,0,0,0|0,0,0]=1 436 B7R0.2 CCC(=O)CC(=O)C H192611 [0,1,0,0,0,0|1,0,1]=3 437 B7R0.2 CCC(=O)CC(C)C E156458 [0,1,0,0,0,0|1,0,0]=2 438 B7R0.2 CCC(=O)OC(C)C I157496 [0,1,0,0,0,0|2,0,0]=3 439 B7R0.2 CCC(C)CC(C)C D155187 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.2 CCC(C)CC(C)N D135535 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.2 CN(C)CC(=O)OC N304465 [0,1,0,0,0,0|1,0,0]=2 442 B7R0.2 COC(=O)CC(=O)Cl M106674 [0,1,0,0,0,0|1,0,1]=3 443 B7R0.2 COC(=O)CC(=O)Cl M489935 [0,1,0,0,0,0|1,0,1]=3 444 B7R0.2 COC(=O)CC(=O)Cl M615708 [0,1,0,0,0,0|1,0,1]=3 445 B7R0.2 COC(=O)CC(=O)O M132669 [0,1,0,0,0,0|1,0,1]=3 446 B7R0.2 COC(=O)CC(=O)[O-] H135114 [0,1,0,0,0,0|1,0,1]=3 447 B7R0.2 COC(=O)C[N+](=O)[O-] M158866 [0,1,0,0,0,0|2,0,0]=3 448 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [0,1,0,0,0,0|0,0,2]=3 449 B7R0.3 C(CC(=O)NN)CO B301222 [0,1,0,0,0,0|2,0,0]=3 450 B7R0.3 C=CC(=O)NCCO N159040 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.3 C=CC(=O)OCCCl C477272 [0,1,0,0,0,0|2,0,1]=4 452 B7R0.3 C=CC(=O)OCCO H104535 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.3 CCC(=O)NCCO N158966 [0,1,0,0,0,0|2,0,0]=3 454 B7R0.3 CCCCC(=C)CC E156236 [0,1,0,0,0,0|2,0,0]=3 455 B7R0.3 CCCCC(=O)CC H103766 [0,1,0,0,0,0|1,0,0]=2 456 B7R0.3 CCCCC(=O)NN P135113 [0,1,0,0,0,0|2,0,0]=3 457 B7R0.3 CCCCC(=O)OC M108213 [0,1,0,0,0,0|0,0,0]=1 458 B7R0.3 CCCCC(=O)OC M108214 [0,1,0,0,0,0|0,0,0]=1 459 B7R0.3 CCCCC(C)CC M113650 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.3 CCCCC(CC)Br B152441 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.3 CCCCC(CC)O H156872 [0,1,0,0,0,0|1,0,2]=4 462 B7R0.3 CCCNC(=O)C=C N404954 [0,1,0,0,0,0|1,0,1]=3 463 B7R0.3 CCCNC(C)CC N158968 [0,1,0,0,0,0|2,0,1]=4 464 B7R0.3 CCCOC(=O)CC P111531 [0,1,0,0,0,0|1,0,0]=2 465 B7R0.3 CCCOC(=O)CC P111532 [0,1,0,0,0,0|1,0,0]=2 466 B7R0.3 COC(=O)C=CC=C M167458 [0,1,0,0,0,0|0,0,3]=4 467 B7R0.3 COC(=O)C=CC=O M158237 [0,1,0,0,0,0|0,0,3]=4 468 B7R0.3 COC(=O)C=CCBr M137638 [0,1,0,0,0,0|0,0,2]=3 469 B7R0.3 COC(=O)C=CCBr M158855 [0,1,0,0,0,0|0,0,2]=3 470 B7R0.3 COC(=O)CCC#N M135512 [0,1,0,0,0,0|0,0,1]=2 471 B7R0.3 COC(=O)CCC#N M293045 [0,1,0,0,0,0|0,0,1]=2 472 B7R0.3 COC(=O)CCC=C M338666 [0,1,0,0,0,0|0,0,1]=2 473 B7R0.3 COC(=O)CCCBr M158832 [0,1,0,0,0,0|0,0,0]=1 474 B7R0.3 COC(=O)CCCBr M492178 [0,1,0,0,0,0|0,0,0]=1 475 B7R0.3 COC(=O)CCCCl C108118 [0,1,0,0,0,0|0,0,0]=1 476 B7R0.3 COC(=O)CCCI M167258 [0,1,0,0,0,0|0,0,0]=1 477 B7R0.3 COC(=O)CCCN M124081 [0,1,0,0,0,0|0,0,0]=1 478 B7R0.3 COC(=O)CCSC M302466 [0,1,0,0,0,0|0,0,0]=1 479 B7R0.3 COC(=O)CN=[N+]=[N-] M168057 [0,1,0,0,0,0|2,0,0]=3 480 B7R0.3 COC(=O)OCC=C A136273 [0,1,0,0,0,0|0,0,2]=3 481 B7R0.3 COC=CC(=O)OC M105075 [0,1,0,0,0,0|0,0,2]=3 482 B7R0.3 COC=CC(=O)OC M135197 [0,1,0,0,0,0|0,0,2]=3 483 B7R0.3 COCCC(=O)OC M134953 [0,1,0,0,0,0|0,0,0]=1 484 B7R0.5 CC(=C)C(=O)NCO N404587 [0,1,0,0,0,0|3,0,0]=4 485 B7R0.5 CCCC(=O)C(=O)C H106696 [0,1,0,0,0,0|1,0,0]=2 486 B7R0.5 CCCC(=O)C(=O)O O159954 [0,1,0,0,0,0|2,0,0]=3 487 B7R0.5 CCCC(C)C(=O)C M158798 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.5 CCCC(C)C(C)C D155209 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.5 CCOC(=O)C(=C)C E103001 [0,1,0,0,0,0|2,0,0]=3 490 B7R0.5 CCOC(=O)C(=C)C E103002 [0,1,0,0,0,0|2,0,0]=3 491 B7R0.5 CCOC(=O)C(=C)C E492609 [0,1,0,0,0,0|2,0,0]=3 492 B7R0.5 CCOC(=O)C(=O)C E113332 [0,1,0,0,0,0|2,0,0]=3 493 B7R0.5 CCOC(=O)C(=O)Cl E109372 [0,1,0,0,0,0|3,0,0]=4 494 B7R0.5 CCOC(=O)C(=O)N E156399 [0,1,0,0,0,0|3,0,0]=4 495 B7R0.5 CCOC(=O)C(=O)[O-] E156500 [0,1,0,0,0,0|3,0,0]=4 496 B7R0.5 CCOC(=O)C(=S)N E101723 [0,1,0,0,0,0|3,0,0]=4 497 B7R0.5 CCOC(=O)C(Br)Br E331036 [0,1,0,0,0,0|3,0,0]=4 498 B7R0.5 CCOC(=O)C(C)Br E106089 [0,1,0,0,0,0|2,0,0]=3 499 B7R0.5 CCOC(=O)C(C)Br E400066 [0,1,0,0,0,0|2,0,0]=3 500 B7R0.5 CCOC(=O)C(C)C E156123 [0,1,0,0,0,0|2,0,0]=3 501 B7R0.5 CCOC(=O)C(C)Cl E100647 [0,1,0,0,0,0|2,0,0]=3 502 B7R0.5 CCOC(=O)C(C)F E135615 [0,1,0,0,0,0|2,0,0]=3 503 B7R0.5 CCOC(=O)C(C)I E156364 [0,1,0,0,0,0|2,0,0]=3 504 B7R0.5 CCOC(=O)C(C)N A109010 [0,1,0,0,0,0|2,0,0]=3 505 B7R0.5 CCOC(=O)C(C)N A117183 [0,1,0,0,0,0|2,0,0]=3 506 B7R0.5 CCOC(=O)C(C)N D304158 [0,1,0,0,0,0|2,0,0]=3 507 B7R0.5 CCOC(=O)C(C)O E104551 [0,1,0,0,0,0|2,0,0]=3 508 B7R0.5 CCOC(=O)C(C)O E104553 [0,1,0,0,0,0|2,0,0]=3 509 B7R0.5 CCOC(=O)C(C)O E104554 [0,1,0,0,0,0|2,0,0]=3 510 B7R0.5 CCOC(=O)C(C)O E108228 [0,1,0,0,0,0|2,0,0]=3 511 B7R0.5 CCOC(=O)C(C)O E108230 [0,1,0,0,0,0|2,0,0]=3 512 B7R0.5 CCOC(=O)C(C)O E465744 [0,1,0,0,0,0|2,0,0]=3 513 B7R0.5 CCOC(=O)C(C)S E156189 [0,1,0,0,0,0|2,0,0]=3 514 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [0,1,0,0,0,0|3,0,0]=4 515 B7R0.5 CCOC(=O)C(F)Br E102105 [0,1,0,0,0,0|3,0,0]=4 516 B7R0.5 CCOC(=O)C(F)Cl E138797 [0,1,0,0,0,0|3,0,0]=4 517 B7R0.5 CCOC(=O)C(F)F E101733 [0,1,0,0,0,0|3,0,0]=4 518 B7R0.5 CCOC(=O)C(F)F E616466 [0,1,0,0,0,0|3,0,0]=4 519 B7R0.5 CCOC(=O)C(F)I E331038 [0,1,0,0,0,0|3,0,0]=4 520 B7R0.5 CN(C)C(=O)CC#N C135281 [0,1,0,0,0,0|2,0,1]=4 521 B7R0.5 CN(C)C(=O)COC M589066 [0,1,0,0,0,0|2,0,0]=3 522 B7R0.7 C(NC(=O)NCO)O B152713 [0,1,0,0,0,0|3,0,0]=4 523 B7R0.7 CC=CC(=O)OC=C V162948 [0,1,0,0,0,0|0,0,3]=4 524 B7R0.7 CCCC(=O)CCC H103840 [0,1,0,0,0,0|1,0,0]=2 525 B7R0.7 CCCC(=O)CCC H103841 [0,1,0,0,0,0|1,0,0]=2 526 B7R0.7 CCCC(=O)OC=C V162944 [0,1,0,0,0,0|0,0,1]=2 527 B7R0.7 CCCC(=O)OCC E101116 [0,1,0,0,0,0|0,0,0]=1 528 B7R0.7 CCCC(=O)OCC E101117 [0,1,0,0,0,0|0,0,0]=1 529 B7R0.7 CCCC(=O)OCC E101119 [0,1,0,0,0,0|0,0,0]=1 530 B7R0.7 CCCC(=O)OCCl C153957 [0,1,0,0,0,0|0,0,0]=1 531 B7R0.7 CCCC(C)CCC M113651 [0,1,0,0,0,0|2,0,1]=4 532 B7R0.7 CCCC(CCC)N H156930 [0,1,0,0,0,0|2,0,1]=4 533 B7R0.7 CCCC(CCC)O H156873 [0,1,0,0,0,0|1,0,2]=4 534 B7R0.7 CCCC(CCO)S M102905 [0,1,0,0,0,0|1,1,1]=4 535 B7R0.7 CCCN(C)CCC I169711 [0,1,0,0,0,0|3,0,0]=4 536 B7R0.7 CCNC(=O)CC#N C181647 [0,1,0,0,0,0|2,0,1]=4 537 B7R0.7 CCNC(=O)NCC D108032 [0,1,0,0,0,0|2,0,0]=3 538 B7R0.7 CCNC(=S)NCC D154883 [0,1,0,0,0,0|2,1,0]=4 539 B7R0.7 CCOC(=O)C#CC E106247 [0,1,0,0,0,0|0,0,2]=3 540 B7R0.7 CCOC(=O)C=CC E156252 [0,1,0,0,0,0|0,0,2]=3 541 B7R0.7 CCOC(=O)C=C[O-] E176875 [0,1,0,0,0,0|1,0,2]=4 542 B7R0.7 CCOC(=O)C=[N+]=[N-] E100922 [0,1,0,0,0,0|2,0,1]=4 543 B7R0.7 CCOC(=O)CC#N E105739 [0,1,0,0,0,0|1,0,1]=3 544 B7R0.7 CCOC(=O)CC#N E105740 [0,1,0,0,0,0|1,0,1]=3 545 B7R0.7 CCOC(=O)CC=C E587504 [0,1,0,0,0,0|0,0,2]=3 546 B7R0.7 CCOC(=O)CCBr E106956 [0,1,0,0,0,0|1,0,0]=2 547 B7R0.7 CCOC(=O)CCCl E100652 [0,1,0,0,0,0|1,0,0]=2 548 B7R0.7 CCOC(=O)CCI E185756 [0,1,0,0,0,0|1,0,0]=2 549 B7R0.7 CCOC(=O)CCN A100434 [0,1,0,0,0,0|1,0,0]=2 550 B7R0.7 CCOC(=O)CCO E185621 [0,1,0,0,0,0|1,0,0]=2 551 B7R0.7 CCOC(=O)CCS E119585 [0,1,0,0,0,0|1,0,0]=2 552 B7R0.7 CCOC(=O)CC[CH2-] E465885 [0,1,0,0,0,0|0,0,1]=2 553 B7R0.7 CCOC(=O)CNC E115901 [0,1,0,0,0,0|1,0,0]=2 554 B7R0.7 CCOC(=O)CNN E134414 [0,1,0,0,0,0|2,0,0]=3 555 B7R0.7 CCOC(=O)COC E136304 [0,1,0,0,0,0|1,0,0]=2 556 B7R0.7 CCOC(=O)CSC E156475 [0,1,0,0,0,0|1,0,0]=2 557 B7R0.7 CCOC(=O)C[N+]#[C-] E156037 [0,1,0,0,0,0|1,0,1]=3 558 B7R0.7 CCOC(=O)C[N+]#[C-] E400243 [0,1,0,0,0,0|1,0,1]=3 559 B7R0.7 CCOC(=O)N=C=S E123540 [0,1,0,0,0,0|2,0,1]=4 560 B7R0.7 CCOC(=O)N=C=S E638552 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.7 CCOC(=O)OCC D103040 [0,1,0,0,0,0|1,0,0]=2 562 B7R0.7 CCOC(=O)OCCl C192930 [0,1,0,0,0,0|1,0,0]=2 563 B7R0.7 CCOC(C)OCC A109196 [0,1,0,0,0,0|2,0,1]=4 564 B7R0.7 CCOC(C)OCC A109197 [0,1,0,0,0,0|2,0,1]=4 565 B7R0.7 CCOP(OCC)Cl D123978 [0,1,0,0,0,0|3,0,0]=4 566 B7R0.7 CCOP(OCC)Cl D501093 [0,1,0,0,0,0|3,0,0]=4 567 B7R0.7 CCOS(=O)OCC D122901 [0,1,0,0,0,0|2,0,0]=3 568 B7R0.7 CCO[P+](=O)OCC D109100 [0,1,0,0,0,0|2,0,0]=3 569 B7R0.7 CCO[Si](C)OCC D155451 [0,1,0,0,0,0|2,1,0]=4 570 B7R0.7 COCC(COC)N D195061 [0,1,0,0,0,0|2,0,1]=4 571 B7R0.7 COCC(COC)O D194254 [0,1,0,0,0,0|1,0,2]=4 572 B7R0.10 CC(C(=O)OC)NC S587983 [0,1,0,0,0,0|1,0,0]=2 573 B7R0.10 CC(CBr)C(=O)OC M158847 [0,1,0,0,0,0|1,0,0]=2 574 B7R0.10 CC(CBr)C(=O)OC M409449 [0,1,0,0,0,0|1,0,0]=2 575 B7R0.10 CC(CO)C(=O)OC M589106 [0,1,0,0,0,0|1,0,0]=2 576 B7R0.10 CC(CO)C(=O)OC R136025 [0,1,0,0,0,0|1,0,0]=2 577 B7R0.10 CC(CO)C(=O)OC S133601 [0,1,0,0,0,0|1,0,0]=2 578 B7R0.10 CC=C(C)C(=O)OC M158196 [0,1,0,0,0,0|0,0,2]=3 579 B7R0.10 CCC(=O)C(=O)CC H102539 [0,1,0,0,0,0|1,0,1]=3 580 B7R0.10 CCC(=O)N(C)OC N404710 [0,1,0,0,0,0|2,0,1]=4 581 B7R0.10 CCC(C(=O)CC)O P121219 [0,1,0,0,0,0|1,0,0]=2 582 B7R0.10 CCC(C(=O)OC)Br M110203 [0,1,0,0,0,0|0,0,0]=1 583 B7R0.10 CCC(C(=O)OC)N D134538 [0,1,0,0,0,0|0,0,0]=1 584 B7R0.10 CCC(C(=O)OC)N S304011 [0,1,0,0,0,0|0,0,0]=1 585 B7R0.10 CCC(C(=O)OC)O M588620 [0,1,0,0,0,0|0,0,0]=1 586 B7R0.10 CCC(C(=O)OC)O M590030 [0,1,0,0,0,0|0,0,0]=1 587 B7R0.10 CCC(C(=O)OC)O R590029 [0,1,0,0,0,0|0,0,0]=1 588 B7R0.10 CCC(C)C(=O)OC M157989 [0,1,0,0,0,0|0,0,0]=1 589 B7R0.10 CNC(=O)C(=O)NC I171177 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.10 COC(=O)C(=C)C#N M587088 [0,1,0,0,0,0|1,0,2]=4 591 B7R0.10 COC(=O)C(=C)CBr M138825 [0,1,0,0,0,0|1,0,1]=3 592 B7R0.10 COC(=O)C(=C)CO M167537 [0,1,0,0,0,0|1,0,1]=3 593 B7R0.10 COC(=O)C(=O)CBr M572938 [0,1,0,0,0,0|1,0,1]=3 594 B7R0.10 COC(=O)C(=O)OC D103008 [0,1,0,0,0,0|1,0,1]=3 595 B7R0.10 COC(=O)C(=O)OC D103009 [0,1,0,0,0,0|1,0,1]=3 596 B7R0.10 COC(=O)C(CBr)Br M167887 [0,1,0,0,0,0|1,0,0]=2 597 B7R0.10 COC(=O)C(CCl)Cl M121841 [0,1,0,0,0,0|1,0,0]=2 598 B7R0.10 COC(=O)C(CCl)N M588771 [0,1,0,0,0,0|1,0,0]=2 599 B7R0.10 COC(=O)C(CCl)N S134256 [0,1,0,0,0,0|1,0,0]=2 600 B7R0.10 COC(=O)C(CO)N S101064 [0,1,0,0,0,0|1,0,0]=2 601 B7R0.10 COC(=O)C(CO)N S109008 [0,1,0,0,0,0|1,0,0]=2 602 B7R0.10 COC(=O)C(CO)N S117181 [0,1,0,0,0,0|1,0,0]=2 603 B7R0.10 COC(=O)C(CO)O R587787 [0,1,0,0,0,0|1,0,0]=2 604 B7R0.10 COC(=O)C(CO)O S178884 [0,1,0,0,0,0|1,0,0]=2 605 B7R0.10 COC(=O)C(CS)N C105474 [0,1,0,0,0,0|1,0,0]=2 606 B7R0.10 COC(=O)C(CS)N S133993 [0,1,0,0,0,0|1,0,0]=2 607 B7R0.11 CC(C)(CCO)OC M158753 [0,1,0,0,0,0|2,0,1]=4 608 B7R0.12 CCN(CCO)N=O N158964 [0,1,0,0,0,0|3,0,0]=4 609 B7R0.12 CNCC(OC)OC M102352 [0,1,0,0,0,0|1,0,2]=4 610 B7R0.12 COC(CCBr)OC B153148 [0,1,0,0,0,0|1,0,2]=4 611 B7R0.12 COC(CSC)OC M133839 [0,1,0,0,0,0|1,0,2]=4 612 B7R0.12 COCC(OC)OC T162575 [0,1,0,0,0,0|1,0,2]=4 613 B7R1.1 C1CC=C(C1)C=O C304145 [0,0,0,1,0,0|3,0,0]=4 614 B7R1.1 C1CCC(=NO)C1 C138083 [0,0,0,1,0,0|3,0,0]=4 615 B7R1.1 CCC1=NCCN1 E156339 [0,0,0,1,0,0|3,0,0]=4 616 B7R1.1 CCC1=NCCO1 E137961 [0,0,0,1,0,0|2,0,1]=4 617 B7R1.1 CCC1=NCCO1 P303248 [0,0,0,1,0,0|2,0,1]=4 618 B7R1.1 CCC1=NCCO1 P432473 [0,0,0,1,0,0|2,0,1]=4 619 B7R1.1 CCC1=NCCO1 P432474 [0,0,0,1,0,0|2,0,1]=4 620 B7R1.1 CCC1CCCC1 E156243 [0,0,0,1,0,0|2,0,1]=4 621 B7R1.1 CCN1CCCC1 E156259 [0,0,0,1,0,0|3,0,0]=4 622 B7R1.1 COC1CCCC1 C102202 [0,0,0,1,0,0|1,0,1]=3 623 B7R1.1 COC1CCCC1 C119688 [0,0,0,1,0,0|1,0,1]=3 624 B7R1.1 COC1CCCC1 C298967 [0,0,0,1,0,0|1,0,1]=3 625 B7R1.1 COC1CCNC1 R176558 [0,0,0,1,0,0|2,0,1]=4 626 B7R1.1 COC1CCNC1 S177181 [0,0,0,1,0,0|2,0,1]=4 627 B7R1.1 COC1CCNC1 S586566 [0,0,0,1,0,0|2,0,1]=4 628 B7R1.1 COC1OCCO1 M157786 [0,0,0,1,0,0|1,0,2]=4 629 B7R1.1 CSC1=NCCN1 M135977 [0,0,0,1,0,0|2,1,0]=4 630 B7R1.1 CSC1=NCCS1 M123595 [0,0,0,1,0,0|1,2,0]=4 631 B7R1.2 C1C(=CC(=O)O1)O T103765 [0,0,0,1,0,0|1,0,2]=4 632 B7R1.2 C1C(=O)COC1=O T101326 [0,0,0,1,0,0|1,0,1]=3 633 B7R1.2 C1C(C=CC1=O)O H492879 [0,0,0,1,0,0|2,0,1]=4 634 B7R1.2 C1C(CNC1=O)N A587603 [0,0,0,1,0,0|2,0,0]=3 635 B7R1.2 C1C(CNC1=O)O H119311 [0,0,0,1,0,0|2,0,0]=3 636 B7R1.2 C1C(CNC1=O)O H119312 [0,0,0,1,0,0|2,0,0]=3 637 B7R1.2 C1C(CNC1=O)O H183207 [0,0,0,1,0,0|2,0,0]=3 638 B7R1.2 C1C(COC1=O)N R189910 [0,0,0,1,0,0|1,0,0]=2 639 B7R1.2 C1C(COC1=O)N S189909 [0,0,0,1,0,0|1,0,0]=2 640 B7R1.2 C1C(COC1=O)O H107941 [0,0,0,1,0,0|1,0,0]=2 641 B7R1.2 C1C(OC(=O)O1)Cl C154009 [0,0,0,1,0,0|2,0,0]=3 642 B7R1.2 C1C(OC(=O)O1)Cl C298772 [0,0,0,1,0,0|2,0,0]=3 643 B7R1.2 C1C(OC(=O)O1)F F120339 [0,0,0,1,0,0|2,0,0]=3 644 B7R1.2 C1CC(=O)CC1=O C138777 [0,0,0,1,0,0|2,0,1]=4 645 B7R1.2 CC1=CC(=O)CC1 M109537 [0,0,0,1,0,0|1,0,2]=4 646 B7R1.2 CC1=CC(=O)OC1 M158202 [0,0,0,1,0,0|0,0,2]=3 647 B7R1.2 CC1=NNC(=O)C1 M121614 [0,0,0,1,0,0|2,0,1]=4 648 B7R1.2 CC1CCC(=O)C1 M113659 [0,0,0,1,0,0|1,0,0]=2 649 B7R1.2 CC1CCC(=O)N1 M158429 [0,0,0,1,0,0|2,0,0]=3 650 B7R1.2 CC1CCC(=O)O1 V106294 [0,0,0,1,0,0|2,0,0]=3 651 B7R1.2 CC1CCC(C1)O M351118 [0,0,0,1,0,0|1,0,2]=4 652 B7R1.2 CC1CNC(=S)N1 N132557 [0,0,0,1,0,0|2,1,0]=4 653 B7R1.2 CC1COC(=O)O1 P105723 [0,0,0,1,0,0|1,0,0]=2 654 B7R1.2 CC1COC(=O)O1 P105724 [0,0,0,1,0,0|1,0,0]=2 655 B7R1.2 CC1COC(=O)O1 P105725 [0,0,0,1,0,0|1,0,0]=2 656 B7R1.2 CC1COC(=O)O1 P105726 [0,0,0,1,0,0|1,0,0]=2 657 B7R1.2 CC1COC(=O)O1 P122960 [0,0,0,1,0,0|1,0,0]=2 658 B7R1.2 CC1COC(=O)O1 S135940 [0,0,0,1,0,0|1,0,0]=2 659 B7R1.2 CC1COC(O1)C D404099 [0,0,0,1,0,0|2,0,1]=4 660 B7R1.2 CC1COS(=O)O1 M120340 [0,0,0,1,0,0|2,0,0]=3 661 B7R1.2 CN1CCC(=O)C1 M343187 [0,0,0,1,0,0|2,0,0]=3 662 B7R1.3 C1CC(=O)CNC1 P301951 [0,0,0,1,0,0|2,0,0]=3 663 B7R1.3 C1CC(=O)COC1 O175840 [0,0,0,1,0,0|2,0,0]=3 664 B7R1.3 C1CCC(=O)CC1 C116449 [0,0,0,1,0,0|1,0,0]=2 665 B7R1.3 C1CCC(=O)CC1 C116451 [0,0,0,1,0,0|1,0,0]=2 666 B7R1.3 C1CCC(=O)CC1 C116453 [0,0,0,1,0,0|1,0,0]=2 667 B7R1.3 C1CCC(=O)CC1 C116454 [0,0,0,1,0,0|1,0,0]=2 668 B7R1.3 C1CCC(=O)CC1 C295202 [0,0,0,1,0,0|1,0,0]=2 669 B7R1.3 C1CCC(=O)CC1 C471914 [0,0,0,1,0,0|1,0,0]=2 670 B7R1.3 C1CCC(=O)CC1 C615386 [0,0,0,1,0,0|1,0,0]=2 671 B7R1.3 C1CCC(CC1)Br B109675 [0,0,0,1,0,0|2,0,1]=4 672 B7R1.3 C1CCC(CC1)Cl C106088 [0,0,0,1,0,0|2,0,1]=4 673 B7R1.3 C1CCC(CC1)F F156720 [0,0,0,1,0,0|2,0,1]=4 674 B7R1.3 C1CCC(CC1)I I157579 [0,0,0,1,0,0|2,0,1]=4 675 B7R1.3 C1CCC(CC1)N C103892 [0,0,0,1,0,0|2,0,1]=4 676 B7R1.3 C1CCC(CC1)N C105033 [0,0,0,1,0,0|2,0,1]=4 677 B7R1.3 C1CCC(CC1)N C105034 [0,0,0,1,0,0|2,0,1]=4 678 B7R1.3 C1CCC(CC1)N C105035 [0,0,0,1,0,0|2,0,1]=4 679 B7R1.3 C1CCC(CC1)N C105036 [0,0,0,1,0,0|2,0,1]=4 680 B7R1.3 C1CCC(CC1)N C136515 [0,0,0,1,0,0|2,0,1]=4 681 B7R1.3 C1CCC(CC1)N C405536 [0,0,0,1,0,0|2,0,1]=4 682 B7R1.3 C1CCC(CC1)N C492170 [0,0,0,1,0,0|2,0,1]=4 683 B7R1.3 C1CCC(CC1)N C492176 [0,0,0,1,0,0|2,0,1]=4 684 B7R1.3 C1CCC(CC1)O C110399 [0,0,0,1,0,0|1,0,2]=4 685 B7R1.3 C1CCC(CC1)O C110400 [0,0,0,1,0,0|1,0,2]=4 686 B7R1.3 C1CCC(CC1)O C110401 [0,0,0,1,0,0|1,0,2]=4 687 B7R1.3 C1CCC(CC1)O C121272 [0,0,0,1,0,0|1,0,2]=4 688 B7R1.3 C1CCC(CC1)S C107602 [0,0,0,1,0,0|1,1,1]=4 689 B7R1.3 C1CCC(CC1)[NH3+] C494008 [0,0,0,1,0,0|2,0,1]=4 690 B7R1.3 C1CCN(CC1)N A103012 [0,0,0,1,0,0|3,0,0]=4 691 B7R1.3 C1CCN(CC1)N A113934 [0,0,0,1,0,0|3,0,0]=4 692 B7R1.3 C1CCNC(=O)C1 P160613 [0,0,0,1,0,0|1,0,0]=2 693 B7R1.3 C1CCOC(=O)C1 V100560 [0,0,0,1,0,0|0,0,0]=1 694 B7R1.3 C1CNC(=O)CN1 P135012 [0,0,0,1,0,0|2,0,0]=3 695 B7R1.3 C1CNC(=O)NC1 T162348 [0,0,0,1,0,0|2,0,0]=3 696 B7R1.3 C1CNC(=O)OC1 O170792 [0,0,0,1,0,0|1,0,0]=2 697 B7R1.3 C1CNC(=S)NC1 T465543 [0,0,0,1,0,0|2,1,0]=4 698 B7R1.3 C1COC(=O)C=C1 D155403 [0,0,0,1,0,0|0,0,2]=3 699 B7R1.3 C1COC(=O)CO1 D122246 [0,0,0,1,0,0|1,0,0]=2 700 B7R1.3 C1COC(=O)OC1 D155394 [0,0,0,1,0,0|1,0,0]=2 701 B7R1.3 C1COCC(=O)N1 M157861 [0,0,0,1,0,0|2,0,0]=3 702 B7R1.3 C1COCCC1=O T107483 [0,0,0,1,0,0|2,0,0]=3 703 B7R1.3 C1COS(=O)OC1 D137600 [0,0,0,1,0,0|2,0,0]=3 704 B7R1.3 C1CSCCC1=O T121984 [0,0,0,1,0,0|2,0,0]=3 705 B7R1.3 C=C1CCCCC1 M158229 [0,0,0,1,0,0|2,0,0]=3 706 B7R1.3 CC1=CCCCC1 M158209 [0,0,0,1,0,0|2,0,0]=3 707 B7R1.3 CC1=CCNCC1 M178460 [0,0,0,1,0,0|3,0,0]=4 708 B7R1.3 CC1CCCCC1 M103329 [0,0,0,1,0,0|2,0,1]=4 709 B7R1.3 CC1CCCCC1 M103330 [0,0,0,1,0,0|2,0,1]=4 710 B7R1.3 CC1CCCCC1 M103331 [0,0,0,1,0,0|2,0,1]=4 711 B7R1.3 CC1CCCCC1 M118385 [0,0,0,1,0,0|2,0,1]=4 712 B7R1.3 CC1CCCCC1 M119670 [0,0,0,1,0,0|2,0,1]=4 713 B7R1.3 CC1CCCCN1 I169537 [0,0,0,1,0,0|2,0,1]=4 714 B7R1.3 CC1CCCCN1 M106737 [0,0,0,1,0,0|2,0,1]=4 715 B7R1.3 CC1CCOCO1 M158047 [0,0,0,1,0,0|2,0,1]=4 716 B7R1.3 CC1CNCCO1 M588524 [0,0,0,1,0,0|2,0,1]=4 717 B7R1.3 CC1CNCCO1 R174894 [0,0,0,1,0,0|2,0,1]=4 718 B7R1.3 CC1CNCCO1 S172145 [0,0,0,1,0,0|2,0,1]=4 719 B7R1.3 CN1CCCCC1 M106736 [0,0,0,1,0,0|3,0,0]=4 720 B7R1.3 C[Si]1CCCCO1 P107083 [0,0,0,1,0,0|1,1,0]=3 721 B7R1.3 [CH2-]C1CCCCC1 C140721 [0,0,0,1,0,0|2,0,1]=4 722 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,0,0,1,0,0|2,0,1]=4 723 B7R1.4 C1CC(C(=O)C1)Cl C103555 [0,0,0,1,0,0|2,0,0]=3 724 B7R1.4 C1CC(C(=O)C1)Cl C598656 [0,0,0,1,0,0|2,0,0]=3 725 B7R1.4 C1CNC(=O)C1O H486731 [0,0,0,1,0,0|3,0,0]=4 726 B7R1.4 C1COC(=O)C1Br B107924 [0,0,0,1,0,0|3,0,0]=4 727 B7R1.4 C1COC(=O)C1N A101211 [0,0,0,1,0,0|3,0,0]=4 728 B7R1.4 C1COC(=O)C1N I167498 [0,0,0,1,0,0|3,0,0]=4 729 B7R1.4 C1COC(=O)C1N R137962 [0,0,0,1,0,0|3,0,0]=4 730 B7R1.4 C1COC(=O)C1O H113417 [0,0,0,1,0,0|3,0,0]=4 731 B7R1.4 C1COC(=O)C1O R591020 [0,0,0,1,0,0|3,0,0]=4 732 B7R1.4 C1COC(=O)C1O S161076 [0,0,0,1,0,0|3,0,0]=4 733 B7R1.4 C1COC(=O)N1N A114272 [0,0,0,1,0,0|3,0,0]=4 734 B7R1.4 C1CSC(=O)C1N H108030 [0,0,0,1,0,0|3,0,0]=4 735 B7R1.4 C1CSC(=O)C1N S169532 [0,0,0,1,0,0|3,0,0]=4 736 B7R1.4 C=C1CCOC1=O M108009 [0,0,0,1,0,0|2,0,1]=4 737 B7R1.4 CC1=CCCC1=O M165952 [0,0,0,1,0,0|1,0,1]=3 738 B7R1.4 CC1=CCOC1=O M158201 [0,0,0,1,0,0|2,0,1]=4 739 B7R1.4 CC1C(=O)CCO1 M102944 [0,0,0,1,0,0|2,0,0]=3 740 B7R1.4 CC1C(=O)CCS1 M102985 [0,0,0,1,0,0|2,0,0]=3 741 B7R1.4 CC1CCCC1=O M138029 [0,0,0,1,0,0|1,0,0]=2 742 B7R1.4 CC1CCCC1O B300625 [0,0,0,1,0,0|1,0,2]=4 743 B7R1.4 CC1CCOC1=O A151225 [0,0,0,1,0,0|2,0,0]=3 744 B7R1.4 CN1C(=O)CC=N1 M586169 [0,0,0,1,0,0|2,0,1]=4 745 B7R1.4 CN1CCCC1=O M100588 [0,0,0,1,0,0|1,0,0]=2 746 B7R1.4 CN1CCCC1=O M100589 [0,0,0,1,0,0|1,0,0]=2 747 B7R1.4 CN1CCCC1=O M100590 [0,0,0,1,0,0|1,0,0]=2 748 B7R1.4 CN1CCCC1=O M103246 [0,0,0,1,0,0|1,0,0]=2 749 B7R1.4 CN1CCCC1=O M103247 [0,0,0,1,0,0|1,0,0]=2 750 B7R1.4 CN1CCCC1=O M103248 [0,0,0,1,0,0|1,0,0]=2 751 B7R1.4 CN1CCCC1=O M103250 [0,0,0,1,0,0|1,0,0]=2 752 B7R1.4 CN1CCCC1=O M119668 [0,0,0,1,0,0|1,0,0]=2 753 B7R1.4 CN1CCCC1=O M434296 [0,0,0,1,0,0|1,0,0]=2 754 B7R1.4 CN1CCCC1=S M140448 [0,0,0,1,0,0|1,1,0]=3 755 B7R1.4 CN1CCNC1=O M304416 [0,0,0,1,0,0|2,0,0]=3 756 B7R1.4 CN1CCOC1=O M132701 [0,0,0,1,0,0|2,0,0]=3 757 B7R1.10 COC1CC(C1)N T173972 [0,0,0,1,0,0|2,0,1]=4 758 B7R1.22 C1CC1C(=NO)N N589318 [0,0,0,1,0,0|3,0,0]=4 759 B7R1.22 C1CC1C(=O)CBr B186063 [0,0,0,1,0,0|2,0,0]=3 760 B7R1.22 C1CC1C(=O)NN C177206 [0,0,0,1,0,0|2,0,0]=3 761 B7R1.22 COC(=O)C1CC1 M108025 [0,0,0,1,0,0|0,0,0]=1 762 B7R1.22 COC(=O)C1CN1 M111108 [0,0,0,1,0,0|1,0,0]=2 763 B7R1.22 COC(=O)C1CO1 G303748 [0,0,0,1,0,0|1,0,0]=2 764 B7R1.22 COC(=O)C1CO1 M344543 [0,0,0,1,0,0|1,0,0]=2 765 B7R1.22 COC(=O)C1CO1 S179901 [0,0,0,1,0,0|1,0,0]=2 766 B7R1.25 CC1(CNC1)OC M178126 [0,0,0,1,0,0|2,0,1]=4 767 B4R0.1 B(CC)(O)O E120272 [2,0,0,0,0,0|1,0,1]=4 768 B4R0.1 C#CC(=O)O P109569 [2,0,0,0,0,0|0,0,2]=4 769 B4R0.1 C(=O)C(=O)O G108309 [2,0,0,0,0,0|1,0,1]=4 770 B4R0.1 C(=O)C(=O)O G169372 [2,0,0,0,0,0|1,0,1]=4 771 B4R0.1 C(C(=O)Br)Br B106897 [2,0,0,0,0,0|2,0,0]=4 772 B4R0.1 C(C(=O)Cl)Br B137113 [2,0,0,0,0,0|2,0,0]=4 773 B4R0.1 C(C(=O)N)Br B139173 [2,0,0,0,0,0|2,0,0]=4 774 B4R0.1 C(C(=O)N)Cl C106072 [2,0,0,0,0,0|2,0,0]=4 775 B4R0.1 C(C(=O)N)I I105563 [2,0,0,0,0,0|2,0,0]=4 776 B4R0.1 C(C(=O)N)I I131590 [2,0,0,0,0,0|2,0,0]=4 777 B4R0.1 C(C(=O)N)I I421630 [2,0,0,0,0,0|2,0,0]=4 778 B4R0.1 C(C(=O)N)N G106202 [2,0,0,0,0,0|2,0,0]=4 779 B4R0.1 C(C(=O)N)N G185482 [2,0,0,0,0,0|2,0,0]=4 780 B4R0.1 C(C(=O)N)O G102639 [2,0,0,0,0,0|2,0,0]=4 781 B4R0.1 C(C(=O)O)Br B108523 [2,0,0,0,0,0|1,0,0]=3 782 B4R0.1 C(C(=O)O)Br B108524 [2,0,0,0,0,0|1,0,0]=3 783 B4R0.1 C(C(=O)O)Br B108525 [2,0,0,0,0,0|1,0,0]=3 784 B4R0.1 C(C(=O)O)Br B355164 [2,0,0,0,0,0|1,0,0]=3 785 B4R0.1 C(C(=O)O)Br B434194 [2,0,0,0,0,0|1,0,0]=3 786 B4R0.1 C(C(=O)O)Cl C485697 [2,0,0,0,0,0|1,0,0]=3 787 B4R0.1 C(C(=O)O)I I104613 [2,0,0,0,0,0|1,0,0]=3 788 B4R0.1 C(C(=O)O)N A110749 [2,0,0,0,0,0|1,0,0]=3 789 B4R0.1 C(C(=O)O)N A110750 [2,0,0,0,0,0|1,0,0]=3 790 B4R0.1 C(C(=O)O)N A110751 [2,0,0,0,0,0|1,0,0]=3 791 B4R0.1 C(C(=O)O)N A110752 [2,0,0,0,0,0|1,0,0]=3 792 B4R0.1 C(C(=O)O)N A111465 [2,0,0,0,0,0|1,0,0]=3 793 B4R0.1 C(C(=O)O)N A124751 [2,0,0,0,0,0|1,0,0]=3 794 B4R0.1 C(C(=O)O)N A124757 [2,0,0,0,0,0|1,0,0]=3 795 B4R0.1 C(C(=O)O)N A298706 [2,0,0,0,0,0|1,0,0]=3 796 B4R0.1 C(C(=O)O)N B190646 [2,0,0,0,0,0|1,0,0]=3 797 B4R0.1 C(C(=O)O)N B573462 [2,0,0,0,0,0|1,0,0]=3 798 B4R0.1 C(C(=O)O)N G110174 [2,0,0,0,0,0|1,0,0]=3 799 B4R0.1 C(C(=O)O)N G119904 [2,0,0,0,0,0|1,0,0]=3 800 B4R0.1 C(C(=O)O)N G133060 [2,0,0,0,0,0|1,0,0]=3 801 B4R0.1 C(C(=O)O)N G156794 [2,0,0,0,0,0|1,0,0]=3 802 B4R0.1 C(C(=O)O)N G156795 [2,0,0,0,0,0|1,0,0]=3 803 B4R0.1 C(C(=O)O)N G432934 [2,0,0,0,0,0|1,0,0]=3 804 B4R0.1 C(C(=O)O)N G432935 [2,0,0,0,0,0|1,0,0]=3 805 B4R0.1 C(C(=O)O)N G471905 [2,0,0,0,0,0|1,0,0]=3 806 B4R0.1 C(C(=O)O)N G472098 [2,0,0,0,0,0|1,0,0]=3 807 B4R0.1 C(C(=O)O)O G104191 [2,0,0,0,0,0|1,0,0]=3 808 B4R0.1 C(C(=O)O)O G104193 [2,0,0,0,0,0|1,0,0]=3 809 B4R0.1 C(C(=O)O)O G425976 [2,0,0,0,0,0|1,0,0]=3 810 B4R0.1 C(C(=O)O)O G434198 [2,0,0,0,0,0|1,0,0]=3 811 B4R0.1 C(C(=O)O)O G591002 [2,0,0,0,0,0|1,0,0]=3 812 B4R0.1 C(C(=O)O)O N129652 [2,0,0,0,0,0|1,0,0]=3 813 B4R0.1 C(C(=O)O)O N427119 [2,0,0,0,0,0|1,0,0]=3 814 B4R0.1 C(C(=O)O)O P136309 [2,0,0,0,0,0|1,0,0]=3 815 B4R0.1 C(C(=O)O)O P477164 [2,0,0,0,0,0|1,0,0]=3 816 B4R0.1 C(C(=O)O)S T104998 [2,0,0,0,0,0|1,0,0]=3 817 B4R0.1 C(C(=O)O)S T105002 [2,0,0,0,0,0|1,0,0]=3 818 B4R0.1 C(C(=O)O)S T501446 [2,0,0,0,0,0|1,0,0]=3 819 B4R0.1 C(C(=O)[O-])Br S124697 [2,0,0,0,0,0|1,0,1]=4 820 B4R0.1 C(C(=O)[O-])Cl S108371 [2,0,0,0,0,0|1,0,1]=4 821 B4R0.1 C(C(=O)[O-])I S104897 [2,0,0,0,0,0|1,0,1]=4 822 B4R0.1 C(C(=O)[O-])N F302712 [2,0,0,0,0,0|1,0,1]=4 823 B4R0.1 C(C(=O)[O-])N G104214 [2,0,0,0,0,0|1,0,1]=4 824 B4R0.1 C(C(=O)[O-])N G156806 [2,0,0,0,0,0|1,0,1]=4 825 B4R0.1 C(C(=O)[O-])N G168473 [2,0,0,0,0,0|1,0,1]=4 826 B4R0.1 C(C(=O)[O-])N M302926 [2,0,0,0,0,0|1,0,1]=4 827 B4R0.1 C(C(=O)[O-])O C154022 [2,0,0,0,0,0|1,0,1]=4 828 B4R0.1 C(C(=O)[O-])O C347797 [2,0,0,0,0,0|1,0,1]=4 829 B4R0.1 C(C(=O)[O-])O S102872 [2,0,0,0,0,0|1,0,1]=4 830 B4R0.1 C(C(=O)[O-])S A109096 [2,0,0,0,0,0|1,0,1]=4 831 B4R0.1 C(C(=O)[O-])S C154034 [2,0,0,0,0,0|1,0,1]=4 832 B4R0.1 C(C(=O)[O-])S S105664 [2,0,0,0,0,0|1,0,1]=4 833 B4R0.1 C=CC(=O)O A103525 [2,0,0,0,0,0|0,0,2]=4 834 B4R0.1 C=CC(=O)O A103526 [2,0,0,0,0,0|0,0,2]=4 835 B4R0.1 C=CC(=O)O A397753 [2,0,0,0,0,0|0,0,2]=4 836 B4R0.1 C=CC(=O)O A434196 [2,0,0,0,0,0|0,0,2]=4 837 B4R0.1 C=CC(=O)O A615488 [2,0,0,0,0,0|0,0,2]=4 838 B4R0.1 C=CC(=O)O P104270 [2,0,0,0,0,0|0,0,2]=4 839 B4R0.1 C=CC(=O)O P104272 [2,0,0,0,0,0|0,0,2]=4 840 B4R0.1 C=CC(=O)O P131657 [2,0,0,0,0,0|0,0,2]=4 841 B4R0.1 C=CC(=O)O P131658 [2,0,0,0,0,0|0,0,2]=4 842 B4R0.1 C=CC(=O)O P131659 [2,0,0,0,0,0|0,0,2]=4 843 B4R0.1 C=CC(=O)O P299190 [2,0,0,0,0,0|0,0,2]=4 844 B4R0.1 C=CC(=O)O P404949 [2,0,0,0,0,0|0,0,2]=4 845 B4R0.1 C=CC(=O)O P639633 [2,0,0,0,0,0|0,0,2]=4 846 B4R0.1 CC(=C)CBr B101577 [2,0,0,0,0,0|2,0,0]=4 847 B4R0.1 CC(=C)CCl C106528 [2,0,0,0,0,0|2,0,0]=4 848 B4R0.1 CC(=C)CN M158608 [2,0,0,0,0,0|2,0,0]=4 849 B4R0.1 CC(=C)CO M107570 [2,0,0,0,0,0|2,0,0]=4 850 B4R0.1 CC(=O)C#C B101576 [2,0,0,0,0,0|0,0,2]=4 851 B4R0.1 CC(=O)C#N P466890 [2,0,0,0,0,0|1,0,1]=4 852 B4R0.1 CC(=O)C=O M109035 [2,0,0,0,0,0|1,0,1]=4 853 B4R0.1 CC(=O)C=O M109036 [2,0,0,0,0,0|1,0,1]=4 854 B4R0.1 CC(=O)CF F170335 [2,0,0,0,0,0|1,0,0]=3 855 B4R0.1 CC(=O)CN A186558 [2,0,0,0,0,0|1,0,0]=3 856 B4R0.1 CC(=O)CN A485063 [2,0,0,0,0,0|1,0,0]=3 857 B4R0.1 CC(=O)CO H111149 [2,0,0,0,0,0|1,0,0]=3 858 B4R0.1 CC(=O)NBr N159711 [2,0,0,0,0,0|2,0,0]=4 859 B4R0.1 CC(=O)NC M106450 [2,0,0,0,0,0|1,0,0]=3 860 B4R0.1 CC(=O)NN A151537 [2,0,0,0,0,0|2,0,0]=4 861 B4R0.1 CC(=O)NO A106239 [2,0,0,0,0,0|2,0,0]=4 862 B4R0.1 CC(=O)OC M103353 [2,0,0,0,0,0|0,0,0]=2 863 B4R0.1 CC(=O)OC M103354 [2,0,0,0,0,0|0,0,0]=2 864 B4R0.1 CC(=O)OC M103356 [2,0,0,0,0,0|0,0,0]=2 865 B4R0.1 CC(=O)OC M103357 [2,0,0,0,0,0|0,0,0]=2 866 B4R0.1 CC(=O)OC M103358 [2,0,0,0,0,0|0,0,0]=2 867 B4R0.1 CC(=O)OC M103359 [2,0,0,0,0,0|0,0,0]=2 868 B4R0.1 CC(=O)O[Al] A283286 [2,0,0,0,0,0|1,0,0]=3 869 B4R0.1 CC(=O)SC S161332 [2,0,0,0,0,0|0,1,0]=3 870 B4R0.1 CC=C(C)Br B151979 [2,0,0,0,0,0|1,0,1]=4 871 B4R0.1 CC=C(C)Cl C153915 [2,0,0,0,0,0|1,0,1]=4 872 B4R0.1 CCC(=N)N P588869 [2,0,0,0,0,0|2,0,0]=4 873 B4R0.1 CCC(=O)Br P107847 [2,0,0,0,0,0|1,0,0]=3 874 B4R0.1 CCC(=O)C B471974 [2,0,0,0,0,0|0,0,0]=2 875 B4R0.1 CCC(=O)Cl P108665 [2,0,0,0,0,0|1,0,0]=3 876 B4R0.1 CCC(=O)N P104016 [2,0,0,0,0,0|1,0,0]=3 877 B4R0.1 CCC(=O)O P110443 [2,0,0,0,0,0|0,0,0]=2 878 B4R0.1 CCC(=O)O P110444 [2,0,0,0,0,0|0,0,0]=2 879 B4R0.1 CCC(=O)O P110445 [2,0,0,0,0,0|0,0,0]=2 880 B4R0.1 CCC(=O)O P110446 [2,0,0,0,0,0|0,0,0]=2 881 B4R0.1 CCC(=O)O P110447 [2,0,0,0,0,0|0,0,0]=2 882 B4R0.1 CCC(=O)O P301795 [2,0,0,0,0,0|0,0,0]=2 883 B4R0.1 CCC(=O)O P343294 [2,0,0,0,0,0|0,0,0]=2 884 B4R0.1 CCC(=O)O P346208 [2,0,0,0,0,0|0,0,0]=2 885 B4R0.1 CCC(=O)O P434195 [2,0,0,0,0,0|0,0,0]=2 886 B4R0.1 CCC(=O)[O-] C112470 [2,0,0,0,0,0|0,0,1]=3 887 B4R0.1 CCC(=O)[O-] C112471 [2,0,0,0,0,0|0,0,1]=3 888 B4R0.1 CCC(=O)[O-] C492256 [2,0,0,0,0,0|0,0,1]=3 889 B4R0.1 CCC(=O)[O-] P160177 [2,0,0,0,0,0|0,0,1]=3 890 B4R0.1 CCC(=O)[O-] S100120 [2,0,0,0,0,0|0,0,1]=3 891 B4R0.1 CCC(=O)[O-] S100121 [2,0,0,0,0,0|0,0,1]=3 892 B4R0.1 CCC(=O)[O-] S100122 [2,0,0,0,0,0|0,0,1]=3 893 B4R0.1 CCC(=O)[O-] S346177 [2,0,0,0,0,0|0,0,1]=3 894 B4R0.1 CCC(=O)[O-] Z346699 [2,0,0,0,0,0|0,0,1]=3 895 B4R0.1 CCC(C)Br B109117 [2,0,0,0,0,0|1,0,1]=4 896 B4R0.1 CCC(C)Br B109118 [2,0,0,0,0,0|1,0,1]=4 897 B4R0.1 CCC(C)Cl C109267 [2,0,0,0,0,0|1,0,1]=4 898 B4R0.1 CCC(C)Cl C109268 [2,0,0,0,0,0|1,0,1]=4 899 B4R0.1 CCC(C)I B105795 [2,0,0,0,0,0|1,0,1]=4 900 B4R0.1 CCC(C)N B105239 [2,0,0,0,0,0|1,0,1]=4 901 B4R0.1 CCC(C)N I166970 [2,0,0,0,0,0|1,0,1]=4 902 B4R0.1 CCC(C)N S161321 [2,0,0,0,0,0|1,0,1]=4 903 B4R0.1 CCC(C)O B110360 [2,0,0,0,0,0|0,0,2]=4 904 B4R0.1 CCC(C)O B110361 [2,0,0,0,0,0|0,0,2]=4 905 B4R0.1 CCC(C)O B110362 [2,0,0,0,0,0|0,0,2]=4 906 B4R0.1 CCC(C)O B110365 [2,0,0,0,0,0|0,0,2]=4 907 B4R0.1 CCC(C)O R138264 [2,0,0,0,0,0|0,0,2]=4 908 B4R0.1 CCC(C)O S138824 [2,0,0,0,0,0|0,0,2]=4 909 B4R0.1 CCC(C)S B102330 [2,0,0,0,0,0|0,1,1]=4 910 B4R0.1 CCS(=O)[O-] S182544 [2,0,0,0,0,0|1,0,1]=4 911 B4R0.1 CC[Si](C)C E194931 [2,0,0,0,0,0|1,1,0]=4 912 B4R0.1 CNC(=O)Cl M304270 [2,0,0,0,0,0|2,0,0]=4 913 B4R0.1 CNC(=O)N M107951 [2,0,0,0,0,0|2,0,0]=4 914 B4R0.1 COC(=N)N O159961 [2,0,0,0,0,0|2,0,0]=4 915 B4R0.1 COC(=N)N O299457 [2,0,0,0,0,0|2,0,0]=4 916 B4R0.1 COC(=O)N M110332 [2,0,0,0,0,0|1,0,0]=3 917 B4R0.2 C(C=CO)Cl R303195 [2,0,0,0,0,0|1,0,1]=4 918 B4R0.2 C(CN)CO A106068 [2,0,0,0,0,0|1,0,1]=4 919 B4R0.2 C(CN)CO A106069 [2,0,0,0,0,0|1,0,1]=4 920 B4R0.2 C(CN)CO A151629 [2,0,0,0,0,0|1,0,1]=4 921 B4R0.2 C(CN)CO A299064 [2,0,0,0,0,0|1,0,1]=4 922 B4R0.2 C(CO)C=O H588118 [2,0,0,0,0,0|1,0,0]=3 923 B4R0.2 C(CO)CBr B108055 [2,0,0,0,0,0|1,0,1]=4 924 B4R0.2 C(CO)CBr B140136 [2,0,0,0,0,0|1,0,1]=4 925 B4R0.2 C(CO)CCl C109471 [2,0,0,0,0,0|1,0,1]=4 926 B4R0.2 C(CO)CF F404475 [2,0,0,0,0,0|1,0,1]=4 927 B4R0.2 C(CO)CI I139105 [2,0,0,0,0,0|1,0,1]=4 928 B4R0.2 C(CO)CO P108206 [2,0,0,0,0,0|1,0,1]=4 929 B4R0.2 C(CO)CO P108207 [2,0,0,0,0,0|1,0,1]=4 930 B4R0.2 C(CO)CO P108208 [2,0,0,0,0,0|1,0,1]=4 931 B4R0.2 C(CO)CO P432773 [2,0,0,0,0,0|1,0,1]=4 932 B4R0.2 C(CO)CS M158215 [2,0,0,0,0,0|1,0,1]=4 933 B4R0.2 C(CON)N A193083 [2,0,0,0,0,0|2,0,0]=4 934 B4R0.2 C=CCCBr B106906 [2,0,0,0,0,0|1,0,1]=4 935 B4R0.2 C=CCCCl C405543 [2,0,0,0,0,0|1,0,1]=4 936 B4R0.2 C=CCCN B167997 [2,0,0,0,0,0|1,0,1]=4 937 B4R0.2 C=CCCO B120318 [2,0,0,0,0,0|1,0,1]=4 938 B4R0.2 CC=CCCl C153477 [2,0,0,0,0,0|1,0,1]=4 939 B4R0.2 CC=CCCl C153917 [2,0,0,0,0,0|1,0,1]=4 940 B4R0.2 CC=CCO C106252 [2,0,0,0,0,0|1,0,1]=4 941 B4R0.2 CCC#CC P160658 [2,0,0,0,0,0|0,0,2]=4 942 B4R0.2 CCC=C=C P160269 [2,0,0,0,0,0|1,0,1]=4 943 B4R0.2 CCCC=O B100299 [2,0,0,0,0,0|0,0,0]=2 944 B4R0.2 CCCC=O B100302 [2,0,0,0,0,0|0,0,0]=2 945 B4R0.2 CCCC=O B305593 [2,0,0,0,0,0|0,0,0]=2 946 B4R0.2 CCCCBr B105250 [2,0,0,0,0,0|1,0,1]=4 947 B4R0.2 CCCCBr B105252 [2,0,0,0,0,0|1,0,1]=4 948 B4R0.2 CCCCBr B105256 [2,0,0,0,0,0|1,0,1]=4 949 B4R0.2 CCCCBr B472078 [2,0,0,0,0,0|1,0,1]=4 950 B4R0.2 CCCCCl C103252 [2,0,0,0,0,0|1,0,1]=4 951 B4R0.2 CCCCCl C103253 [2,0,0,0,0,0|1,0,1]=4 952 B4R0.2 CCCCCl C103255 [2,0,0,0,0,0|1,0,1]=4 953 B4R0.2 CCCCCl C103256 [2,0,0,0,0,0|1,0,1]=4 954 B4R0.2 CCCCCl C118434 [2,0,0,0,0,0|1,0,1]=4 955 B4R0.2 CCCCI I108560 [2,0,0,0,0,0|1,0,1]=4 956 B4R0.2 CCCCN B110356 [2,0,0,0,0,0|1,0,1]=4 957 B4R0.2 CCCCN B110357 [2,0,0,0,0,0|1,0,1]=4 958 B4R0.2 CCCCN B110358 [2,0,0,0,0,0|1,0,1]=4 959 B4R0.2 CCCCN B110359 [2,0,0,0,0,0|1,0,1]=4 960 B4R0.2 CCCCN B152519 [2,0,0,0,0,0|1,0,1]=4 961 B4R0.2 CCCCN B152886 [2,0,0,0,0,0|1,0,1]=4 962 B4R0.2 CCCCN B152948 [2,0,0,0,0,0|1,0,1]=4 963 B4R0.2 CCCCN B491792 [2,0,0,0,0,0|1,0,1]=4 964 B4R0.2 CCCCN B492127 [2,0,0,0,0,0|1,0,1]=4 965 B4R0.2 CCCCN B492132 [2,0,0,0,0,0|1,0,1]=4 966 B4R0.2 CCCCN B492157 [2,0,0,0,0,0|1,0,1]=4 967 B4R0.2 CCCCN B494094 [2,0,0,0,0,0|1,0,1]=4 968 B4R0.2 CCCCO B111569 [2,0,0,0,0,0|0,0,1]=3 969 B4R0.2 CCCCO B111571 [2,0,0,0,0,0|0,0,1]=3 970 B4R0.2 CCCCO B111573 [2,0,0,0,0,0|0,0,1]=3 971 B4R0.2 CCCCO B111575 [2,0,0,0,0,0|0,0,1]=3 972 B4R0.2 CCCCO B111577 [2,0,0,0,0,0|0,0,1]=3 973 B4R0.2 CCCCO B111578 [2,0,0,0,0,0|0,0,1]=3 974 B4R0.2 CCCCO B111580 [2,0,0,0,0,0|0,0,1]=3 975 B4R0.2 CCCCO B111581 [2,0,0,0,0,0|0,0,1]=3 976 B4R0.2 CCCCO B119677 [2,0,0,0,0,0|0,0,1]=3 977 B4R0.2 CCCCO B400251 [2,0,0,0,0,0|0,0,1]=3 978 B4R0.2 CCCCO B433378 [2,0,0,0,0,0|0,0,1]=3 979 B4R0.2 CCCCO B474143 [2,0,0,0,0,0|0,0,1]=3 980 B4R0.2 CCCCO H348242 [2,0,0,0,0,0|0,0,1]=3 981 B4R0.2 CCCCO P340766 [2,0,0,0,0,0|0,0,1]=3 982 B4R0.2 CCCCS B105716 [2,0,0,0,0,0|0,1,1]=4 983 B4R0.2 CCCCS B105717 [2,0,0,0,0,0|0,1,1]=4 984 B4R0.2 CCCC[CH2-] P331063 [2,0,0,0,0,0|0,0,2]=4 985 B4R0.2 CCCC[CH2-] P466408 [2,0,0,0,0,0|0,0,2]=4 986 B4R0.2 CCCC[O-] N335856 [2,0,0,0,0,0|0,0,2]=4 987 B4R0.2 CCCC[O-] T104104 [2,0,0,0,0,0|0,0,2]=4 988 B4R0.2 CCCC[O-] T104105 [2,0,0,0,0,0|0,0,2]=4 989 B4R0.2 CCCC[O-] T304454 [2,0,0,0,0,0|0,0,2]=4 990 B4R0.2 CCCC[O-] T350722 [2,0,0,0,0,0|0,0,2]=4 991 B4R0.2 CCCC[O-] Z106334 [2,0,0,0,0,0|0,0,2]=4 992 B4R0.2 CCCNC M124663 [2,0,0,0,0,0|1,0,0]=3 993 B4R0.2 CCCSC M158417 [2,0,0,0,0,0|0,1,0]=3 994 B4R0.2 CCNC=O N159329 [2,0,0,0,0,0|1,0,0]=3 995 B4R0.2 CCNCC D110465 [2,0,0,0,0,0|1,0,1]=4 996 B4R0.2 CCNCC D110466 [2,0,0,0,0,0|1,0,1]=4 997 B4R0.2 CCNCC D110469 [2,0,0,0,0,0|1,0,1]=4 998 B4R0.2 CCNCC D110470 [2,0,0,0,0,0|1,0,1]=4 999 B4R0.2 CCNCC D154676 [2,0,0,0,0,0|1,0,1]=4 1000 B4R0.2 CCNCC D155612 [2,0,0,0,0,0|1,0,1]=4 1001 B4R0.2 CCNCC E102892 [2,0,0,0,0,0|1,0,1]=4 1002 B4R0.2 CCNCC E102893 [2,0,0,0,0,0|1,0,1]=4 1003 B4R0.2 CCOC=C P475896 [2,0,0,0,0,0|1,0,1]=4 1004 B4R0.2 CCOC=O E110412 [2,0,0,0,0,0|1,0,0]=3 1005 B4R0.2 CCOC=O E110414 [2,0,0,0,0,0|1,0,0]=3 1006 B4R0.2 CCOC=O E110415 [2,0,0,0,0,0|1,0,0]=3 1007 B4R0.2 CCOC=O E110417 [2,0,0,0,0,0|1,0,0]=3 1008 B4R0.2 CCOC=O E139940 [2,0,0,0,0,0|1,0,0]=3 1009 B4R0.2 CCOCC B104430 [2,0,0,0,0,0|1,0,1]=4 1010 B4R0.2 CCOCC B104431 [2,0,0,0,0,0|1,0,1]=4 1011 B4R0.2 CCOCC B299094 [2,0,0,0,0,0|1,0,1]=4 1012 B4R0.2 CCOCC B431395 [2,0,0,0,0,0|1,0,1]=4 1013 B4R0.2 CCOCC M345280 [2,0,0,0,0,0|1,0,1]=4 1014 B4R0.2 CCOCC T189182 [2,0,0,0,0,0|1,0,1]=4 1015 B4R0.2 CCOCC T498340 [2,0,0,0,0,0|1,0,1]=4 1016 B4R0.2 CCSC=C E156347 [2,0,0,0,0,0|1,0,1]=4 1017 B4R0.2 CCSCC C130098 [2,0,0,0,0,0|1,0,1]=4 1018 B4R0.2 CCSCC D105796 [2,0,0,0,0,0|1,0,1]=4 1019 B4R0.2 CC[N-]CC L283253 [2,0,0,0,0,0|1,0,1]=4 1020 B4R0.2 CC[Si]CC D331180 [2,0,0,0,0,0|0,1,1]=4 1021 B4R0.2 CNCC=C I136680 [2,0,0,0,0,0|1,0,1]=4 1022 B4R0.2 CNCCBr B589001 [2,0,0,0,0,0|2,0,0]=4 1023 B4R0.2 CNCCCl M303747 [2,0,0,0,0,0|2,0,0]=4 1024 B4R0.2 CNCCN N159347 [2,0,0,0,0,0|2,0,0]=4 1025 B4R0.2 CNCCO M106448 [2,0,0,0,0,0|1,0,1]=4 1026 B4R0.2 CNCCO M589702 [2,0,0,0,0,0|1,0,1]=4 1027 B4R0.2 COCC#C M157951 [2,0,0,0,0,0|0,0,2]=4 1028 B4R0.2 COCC#N M158576 [2,0,0,0,0,0|1,0,1]=4 1029 B4R0.2 COCC=C A135232 [2,0,0,0,0,0|0,0,2]=4 1030 B4R0.2 COCCBr B139139 [2,0,0,0,0,0|1,0,0]=3 1031 B4R0.2 COCCCl C108060 [2,0,0,0,0,0|1,0,0]=3 1032 B4R0.2 COCCN M138018 [2,0,0,0,0,0|1,0,0]=3 1033 B4R0.2 COCCN M404735 [2,0,0,0,0,0|1,0,0]=3 1034 B4R0.2 COCCN M493557 [2,0,0,0,0,0|1,0,0]=3 1035 B4R0.2 COCCO M102852 [2,0,0,0,0,0|1,0,0]=3 1036 B4R0.2 COCCO M102853 [2,0,0,0,0,0|1,0,0]=3 1037 B4R0.2 COCCO M102854 [2,0,0,0,0,0|1,0,0]=3 1038 B4R0.2 COCCO M102855 [2,0,0,0,0,0|1,0,0]=3 1039 B4R0.2 COCCO M102856 [2,0,0,0,0,0|1,0,0]=3 1040 B4R0.2 COCCO M102857 [2,0,0,0,0,0|1,0,0]=3 1041 B4R0.2 COCCO M102858 [2,0,0,0,0,0|1,0,0]=3 1042 B4R0.2 COCCO M119725 [2,0,0,0,0,0|1,0,0]=3 1043 B4R0.2 COCOC D101433 [2,0,0,0,0,0|1,0,0]=3 1044 B4R0.2 COCOC D101436 [2,0,0,0,0,0|1,0,0]=3 1045 B4R0.2 COCOC F431409 [2,0,0,0,0,0|1,0,0]=3 1046 B4R0.2 CSCC=C A101060 [2,0,0,0,0,0|1,0,1]=4 1047 B4R0.2 CSCCCl C153648 [2,0,0,0,0,0|1,1,0]=4 1048 B4R0.2 CSCCN M113671 [2,0,0,0,0,0|1,1,0]=4 1049 B4R0.2 CSCCN M194629 [2,0,0,0,0,0|1,1,0]=4 1050 B4R0.2 CSCCO M138946 [2,0,0,0,0,0|1,0,1]=4 1051 B4R0.2 CSCSC B140648 [2,0,0,0,0,0|1,1,0]=4 1052 B6R0.2 B(CC(C)C)(O)O M120307 [1,1,0,0,0,0|1,0,1]=4 1053 B6R0.2 B(CC(C)C)(O)O M299536 [1,1,0,0,0,0|1,0,1]=4 1054 B6R0.2 C(C(=O)N)C(=O)O M168857 [1,1,0,0,0,0|1,0,1]=4 1055 B6R0.2 C(C(=O)O)C(=O)O M103513 [1,1,0,0,0,0|1,0,1]=4 1056 B6R0.2 C(C(=O)O)C(=O)O M103514 [1,1,0,0,0,0|1,0,1]=4 1057 B6R0.2 C(C(=O)O)C(=O)O M305754 [1,1,0,0,0,0|1,0,1]=4 1058 B6R0.2 C(C(=O)O)C(=O)O M421547 [1,1,0,0,0,0|1,0,1]=4 1059 B6R0.2 CC(=C)OC(=O)C I108612 [1,1,0,0,0,0|1,0,1]=4 1060 B6R0.2 CC(=CC(=O)C)C M105926 [1,1,0,0,0,0|0,0,2]=4 1061 B6R0.2 CC(=CC(=O)C)C M105927 [1,1,0,0,0,0|0,0,2]=4 1062 B6R0.2 CC(=CC(=O)C)C M105928 [1,1,0,0,0,0|0,0,2]=4 1063 B6R0.2 CC(=CC(=O)C)N F156686 [1,1,0,0,0,0|0,0,2]=4 1064 B6R0.2 CC(=CC(=O)C)O A118525 [1,1,0,0,0,0|0,0,2]=4 1065 B6R0.2 CC(=CC(=O)C)O A118538 [1,1,0,0,0,0|0,0,2]=4 1066 B6R0.2 CC(=CC(=O)C)O A579873 [1,1,0,0,0,0|0,0,2]=4 1067 B6R0.2 CC(=CC(=O)C)O B152272 [1,1,0,0,0,0|0,0,2]=4 1068 B6R0.2 CC(=CC(=O)C)O C109323 [1,1,0,0,0,0|0,0,2]=4 1069 B6R0.2 CC(=CC(=O)C)O C140817 [1,1,0,0,0,0|0,0,2]=4 1070 B6R0.2 CC(=CC(=O)C)O C283471 [1,1,0,0,0,0|0,0,2]=4 1071 B6R0.2 CC(=CC(=O)C)O C486854 [1,1,0,0,0,0|0,0,2]=4 1072 B6R0.2 CC(=CC(=O)C)O D302912 [1,1,0,0,0,0|0,0,2]=4 1073 B6R0.2 CC(=CC(=O)C)O E302901 [1,1,0,0,0,0|0,0,2]=4 1074 B6R0.2 CC(=CC(=O)C)O E347622 [1,1,0,0,0,0|0,0,2]=4 1075 B6R0.2 CC(=CC(=O)C)O G304265 [1,1,0,0,0,0|0,0,2]=4 1076 B6R0.2 CC(=CC(=O)C)O H107857 [1,1,0,0,0,0|0,0,2]=4 1077 B6R0.2 CC(=CC(=O)C)O I138305 [1,1,0,0,0,0|0,0,2]=4 1078 B6R0.2 CC(=CC(=O)C)O I294571 [1,1,0,0,0,0|0,0,2]=4 1079 B6R0.2 CC(=CC(=O)C)O M106182 [1,1,0,0,0,0|0,0,2]=4 1080 B6R0.2 CC(=CC(=O)C)O P101065 [1,1,0,0,0,0|0,0,2]=4 1081 B6R0.2 CC(=CC(=O)C)O P119025 [1,1,0,0,0,0|0,0,2]=4 1082 B6R0.2 CC(=CC(=O)C)O P119026 [1,1,0,0,0,0|0,0,2]=4 1083 B6R0.2 CC(=CC(=O)C)O P293928 [1,1,0,0,0,0|0,0,2]=4 1084 B6R0.2 CC(=CC(=O)C)O R118502 [1,1,0,0,0,0|0,0,2]=4 1085 B6R0.2 CC(=CC(=O)C)O R118539 [1,1,0,0,0,0|0,0,2]=4 1086 B6R0.2 CC(=CC(=O)C)O R118540 [1,1,0,0,0,0|0,0,2]=4 1087 B6R0.2 CC(=CC(=O)C)O R294372 [1,1,0,0,0,0|0,0,2]=4 1088 B6R0.2 CC(=CC(=O)C)O R639975 [1,1,0,0,0,0|0,0,2]=4 1089 B6R0.2 CC(=CC(=O)C)O S298504 [1,1,0,0,0,0|0,0,2]=4 1090 B6R0.2 CC(=CC(=O)C)O T283063 [1,1,0,0,0,0|0,0,2]=4 1091 B6R0.2 CC(=CC(=O)C)O T302818 [1,1,0,0,0,0|0,0,2]=4 1092 B6R0.2 CC(=CC(=O)C)O T302908 [1,1,0,0,0,0|0,0,2]=4 1093 B6R0.2 CC(=CC(=O)C)O V109324 [1,1,0,0,0,0|0,0,2]=4 1094 B6R0.2 CC(=CC(=O)C)O V109325 [1,1,0,0,0,0|0,0,2]=4 1095 B6R0.2 CC(=CC(=O)C)O Y191992 [1,1,0,0,0,0|0,0,2]=4 1096 B6R0.2 CC(=CC(=O)C)O Y283039 [1,1,0,0,0,0|0,0,2]=4 1097 B6R0.2 CC(=CC(=O)C)[O-] B107855 [1,1,0,0,0,0|0,0,2]=4 1098 B6R0.2 CC(=CC(=O)C)[O-] B109340 [1,1,0,0,0,0|0,0,2]=4 1099 B6R0.2 CC(=CC(=O)C)[O-] B152965 [1,1,0,0,0,0|0,0,2]=4 1100 B6R0.2 CC(=CC(=O)C)[O-] B283467 [1,1,0,0,0,0|0,0,2]=4 1101 B6R0.2 CC(=CC(=O)C)[O-] C100527 [1,1,0,0,0,0|0,0,2]=4 1102 B6R0.2 CC(=CC(=O)C)[O-] C432320 [1,1,0,0,0,0|0,0,2]=4 1103 B6R0.2 CC(=CC(=O)C)[O-] H302906 [1,1,0,0,0,0|0,0,2]=4 1104 B6R0.2 CC(=CC(=O)C)[O-] I106157 [1,1,0,0,0,0|0,0,2]=4 1105 B6R0.2 CC(=CC(=O)C)[O-] L102502 [1,1,0,0,0,0|0,0,2]=4 1106 B6R0.2 CC(=CC(=O)C)[O-] M107860 [1,1,0,0,0,0|0,0,2]=4 1107 B6R0.2 CC(=CC(=O)C)[O-] N105676 [1,1,0,0,0,0|0,0,2]=4 1108 B6R0.2 CC(=CC(=O)C)[O-] N107859 [1,1,0,0,0,0|0,0,2]=4 1109 B6R0.2 CC(=CC(=O)C)[O-] N359157 [1,1,0,0,0,0|0,0,2]=4 1110 B6R0.2 CC(=CC(=O)C)[O-] S488282 [1,1,0,0,0,0|0,0,2]=4 1111 B6R0.2 CC(=CC(=O)C)[O-] T161967 [1,1,0,0,0,0|0,0,2]=4 1112 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [1,1,0,0,0,0|0,0,2]=4 1113 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [1,1,0,0,0,0|0,0,2]=4 1114 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [1,1,0,0,0,0|0,0,2]=4 1115 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [1,1,0,0,0,0|0,0,2]=4 1116 B6R0.2 CC(=CC(=O)O)C D102028 [1,1,0,0,0,0|0,0,2]=4 1117 B6R0.2 CC(=O)CC(=O)C A110366 [1,1,0,0,0,0|0,0,1]=3 1118 B6R0.2 CC(=O)CC(=O)C A110367 [1,1,0,0,0,0|0,0,1]=3 1119 B6R0.2 CC(=O)CC(=O)C A110370 [1,1,0,0,0,0|0,0,1]=3 1120 B6R0.2 CC(=O)CC(=O)N A194123 [1,1,0,0,0,0|1,0,1]=4 1121 B6R0.2 CC(=O)CC(=O)[O-] L102932 [1,1,0,0,0,0|0,0,2]=4 1122 B6R0.2 CC(=O)CC(=O)[O-] L490061 [1,1,0,0,0,0|0,0,2]=4 1123 B6R0.2 CC(=O)CN(C)C D167514 [1,1,0,0,0,0|1,0,0]=3 1124 B6R0.2 CC(=O)OC(=O)C A302240 [1,1,0,0,0,0|1,0,1]=4 1125 B6R0.2 CC(=O)OC(=O)C A474130 [1,1,0,0,0,0|1,0,1]=4 1126 B6R0.2 CC(=O)SC(=O)C A151355 [1,1,0,0,0,0|1,0,1]=4 1127 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [1,1,0,0,0,0|0,0,2]=4 1128 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [1,1,0,0,0,0|0,0,2]=4 1129 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [1,1,0,0,0,0|0,0,2]=4 1130 B6R0.2 CC(C)C=C(C)C D155423 [1,1,0,0,0,0|1,0,1]=4 1131 B6R0.2 CC(C)CC(=O)C M108736 [1,1,0,0,0,0|0,0,0]=2 1132 B6R0.2 CC(C)CC(=O)C M108737 [1,1,0,0,0,0|0,0,0]=2 1133 B6R0.2 CC(C)CC(=O)C M108738 [1,1,0,0,0,0|0,0,0]=2 1134 B6R0.2 CC(C)CC(=O)C M108740 [1,1,0,0,0,0|0,0,0]=2 1135 B6R0.2 CC(C)CC(=O)C M108741 [1,1,0,0,0,0|0,0,0]=2 1136 B6R0.2 CC(C)CC(=O)C M492092 [1,1,0,0,0,0|0,0,0]=2 1137 B6R0.2 CC(C)CC(=O)Cl I157679 [1,1,0,0,0,0|1,0,0]=3 1138 B6R0.2 CC(C)CC(=O)O I108280 [1,1,0,0,0,0|0,0,0]=2 1139 B6R0.2 CC(C)CC(=O)O I108281 [1,1,0,0,0,0|0,0,0]=2 1140 B6R0.2 CC(C)CC(=O)O I424338 [1,1,0,0,0,0|0,0,0]=2 1141 B6R0.2 CC(C)CC(=O)O I432771 [1,1,0,0,0,0|0,0,0]=2 1142 B6R0.2 CC(C)CC(C)C D155236 [1,1,0,0,0,0|1,0,1]=4 1143 B6R0.2 CC(C)CC(C)N D154510 [1,1,0,0,0,0|1,0,1]=4 1144 B6R0.2 CC(C)CC(C)O M104491 [1,1,0,0,0,0|0,0,2]=4 1145 B6R0.2 CC(C)NC(=O)C N586389 [1,1,0,0,0,0|1,0,0]=3 1146 B6R0.2 CC(C)OC(=O)C I103453 [1,1,0,0,0,0|1,0,0]=3 1147 B6R0.2 CC(C)OC(=O)C I103454 [1,1,0,0,0,0|1,0,0]=3 1148 B6R0.2 CC(C)OC(=O)C I103455 [1,1,0,0,0,0|1,0,0]=3 1149 B6R0.2 CC(C)OC(=O)N I157610 [1,1,0,0,0,0|2,0,0]=4 1150 B6R0.2 CC(CC(=O)O)Br B169132 [1,1,0,0,0,0|0,0,0]=2 1151 B6R0.2 CC(CC(=O)O)Cl C153466 [1,1,0,0,0,0|0,0,0]=2 1152 B6R0.2 CC(CC(=O)O)N A100948 [1,1,0,0,0,0|0,0,0]=2 1153 B6R0.2 CC(CC(=O)O)N H117041 [1,1,0,0,0,0|0,0,0]=2 1154 B6R0.2 CC(CC(=O)O)N R184127 [1,1,0,0,0,0|0,0,0]=2 1155 B6R0.2 CC(CC(=O)O)N S193074 [1,1,0,0,0,0|0,0,0]=2 1156 B6R0.2 CC(CC(=O)O)O P347707 [1,1,0,0,0,0|0,0,0]=2 1157 B6R0.2 CC(CC(=O)O)O R304188 [1,1,0,0,0,0|0,0,0]=2 1158 B6R0.2 CC(CC(=O)O)O R425172 [1,1,0,0,0,0|0,0,0]=2 1159 B6R0.2 CC(CC(=O)O)O S161108 [1,1,0,0,0,0|0,0,0]=2 1160 B6R0.2 CC(CC(=O)O)O S194215 [1,1,0,0,0,0|0,0,0]=2 1161 B6R0.2 CC(CC(=O)[O-])O B301134 [1,1,0,0,0,0|0,0,1]=3 1162 B6R0.2 CC(CC(=O)[O-])O H121822 [1,1,0,0,0,0|0,0,1]=3 1163 B6R0.2 CC(CC(=O)[O-])O X131756 [1,1,0,0,0,0|0,0,1]=3 1164 B6R0.2 CC(CC(C)Br)Br D155303 [1,1,0,0,0,0|1,0,1]=4 1165 B6R0.2 CC(CC(C)O)O R160958 [1,1,0,0,0,0|0,0,2]=4 1166 B6R0.2 CC(CC(C)O)O S161001 [1,1,0,0,0,0|0,0,2]=4 1167 B6R0.2 CC(CN(C)C)Cl C153815 [1,1,0,0,0,0|2,0,0]=4 1168 B6R0.2 CC(CN(C)C)O B282542 [1,1,0,0,0,0|2,0,0]=4 1169 B6R0.2 CC(CN(C)C)O D155704 [1,1,0,0,0,0|2,0,0]=4 1170 B6R0.2 CC(OC(=O)C)Br B303662 [1,1,0,0,0,0|1,0,0]=3 1171 B6R0.2 CC(OC(=O)Cl)Cl C100655 [1,1,0,0,0,0|2,0,0]=4 1172 B6R0.2 CN(C)CC(=O)O D115675 [1,1,0,0,0,0|1,0,0]=3 1173 B6R0.2 CN(C)CC(=O)O N159831 [1,1,0,0,0,0|1,0,0]=3 1174 B6R0.2 CN(C)CC(=O)O N420632 [1,1,0,0,0,0|1,0,0]=3 1175 B6R0.3 B(C(C)CC)(O)O B120306 [1,1,0,0,0,0|1,0,1]=4 1176 B6R0.3 C(C(=O)C(=O)O)Br B120321 [1,1,0,0,0,0|1,0,1]=4 1177 B6R0.3 C(C(=O)C(=O)O)O H276063 [1,1,0,0,0,0|1,0,1]=4 1178 B6R0.3 C(C(C(=O)Cl)Br)Br D154492 [1,1,0,0,0,0|2,0,0]=4 1179 B6R0.3 C(C(C(=O)Cl)Cl)Cl D300835 [1,1,0,0,0,0|2,0,0]=4 1180 B6R0.3 C(C(C(=O)N)Br)Br D122847 [1,1,0,0,0,0|2,0,0]=4 1181 B6R0.3 C(C(C(=O)N)N)O S134102 [1,1,0,0,0,0|2,0,0]=4 1182 B6R0.3 C(C(C(=O)O)Br)Br D155446 [1,1,0,0,0,0|1,0,0]=3 1183 B6R0.3 C(C(C(=O)O)N)Cl C153754 [1,1,0,0,0,0|1,0,0]=3 1184 B6R0.3 C(C(C(=O)O)N)Cl C341469 [1,1,0,0,0,0|1,0,0]=3 1185 B6R0.3 C(C(C(=O)O)N)N D102444 [1,1,0,0,0,0|1,0,0]=3 1186 B6R0.3 C(C(C(=O)O)N)N D102445 [1,1,0,0,0,0|1,0,0]=3 1187 B6R0.3 C(C(C(=O)O)N)N O105987 [1,1,0,0,0,0|1,0,0]=3 1188 B6R0.3 C(C(C(=O)O)N)N S161147 [1,1,0,0,0,0|1,0,0]=3 1189 B6R0.3 C(C(C(=O)O)N)O D423121 [1,1,0,0,0,0|1,0,0]=3 1190 B6R0.3 C(C(C(=O)O)N)O D423225 [1,1,0,0,0,0|1,0,0]=3 1191 B6R0.3 C(C(C(=O)O)N)O L424779 [1,1,0,0,0,0|1,0,0]=3 1192 B6R0.3 C(C(C(=O)O)N)O L476400 [1,1,0,0,0,0|1,0,0]=3 1193 B6R0.3 C(C(C(=O)O)N)O S103483 [1,1,0,0,0,0|1,0,0]=3 1194 B6R0.3 C(C(C(=O)O)N)O S105977 [1,1,0,0,0,0|1,0,0]=3 1195 B6R0.3 C(C(C(=O)O)N)O S108219 [1,1,0,0,0,0|1,0,0]=3 1196 B6R0.3 C(C(C(=O)O)N)O S118658 [1,1,0,0,0,0|1,0,0]=3 1197 B6R0.3 C(C(C(=O)O)N)O S137887 [1,1,0,0,0,0|1,0,0]=3 1198 B6R0.3 C(C(C(=O)O)N)O S137888 [1,1,0,0,0,0|1,0,0]=3 1199 B6R0.3 C(C(C(=O)O)N)O S432938 [1,1,0,0,0,0|1,0,0]=3 1200 B6R0.3 C(C(C(=O)O)N)S C108237 [1,1,0,0,0,0|1,0,0]=3 1201 B6R0.3 C(C(C(=O)O)N)S C108238 [1,1,0,0,0,0|1,0,0]=3 1202 B6R0.3 C(C(C(=O)O)N)S C110184 [1,1,0,0,0,0|1,0,0]=3 1203 B6R0.3 C(C(C(=O)O)N)S C110436 [1,1,0,0,0,0|1,0,0]=3 1204 B6R0.3 C(C(C(=O)O)N)S C110437 [1,1,0,0,0,0|1,0,0]=3 1205 B6R0.3 C(C(C(=O)O)N)S C113143 [1,1,0,0,0,0|1,0,0]=3 1206 B6R0.3 C(C(C(=O)O)N)S C118575 [1,1,0,0,0,0|1,0,0]=3 1207 B6R0.3 C(C(C(=O)O)N)S D304972 [1,1,0,0,0,0|1,0,0]=3 1208 B6R0.3 C(C(C(=O)O)N)S L424532 [1,1,0,0,0,0|1,0,0]=3 1209 B6R0.3 C(C(C(=O)O)N)S L424534 [1,1,0,0,0,0|1,0,0]=3 1210 B6R0.3 C(C(C(=O)O)N)S L432833 [1,1,0,0,0,0|1,0,0]=3 1211 B6R0.3 C(C(C(=O)O)N)S S161428 [1,1,0,0,0,0|1,0,0]=3 1212 B6R0.3 C(C(C(=O)O)N)S S588042 [1,1,0,0,0,0|1,0,0]=3 1213 B6R0.3 C(C(C(=O)O)O)N I123583 [1,1,0,0,0,0|1,0,0]=3 1214 B6R0.3 C(C(C(=O)O)O)N S137278 [1,1,0,0,0,0|1,0,0]=3 1215 B6R0.3 C(C(C(=O)O)O)O D278734 [1,1,0,0,0,0|1,0,0]=3 1216 B6R0.3 C=C(CBr)C(=O)O B137347 [1,1,0,0,0,0|1,0,1]=4 1217 B6R0.3 CC(=O)C(=O)CBr B185016 [1,1,0,0,0,0|1,0,1]=4 1218 B6R0.3 CC(=O)C(=O)OC M136953 [1,1,0,0,0,0|1,0,1]=4 1219 B6R0.3 CC(=O)N(C)OC N159405 [1,1,0,0,0,0|2,0,0]=4 1220 B6R0.3 CC(C(=O)O)NC I133832 [1,1,0,0,0,0|1,0,0]=3 1221 B6R0.3 CC(C(=O)O)NC I135858 [1,1,0,0,0,0|1,0,0]=3 1222 B6R0.3 CC(C(=O)O)NC N303350 [1,1,0,0,0,0|1,0,0]=3 1223 B6R0.3 CC(C(=O)O)OC M193402 [1,1,0,0,0,0|1,0,0]=3 1224 B6R0.3 CC(C(=O)O)OC P477810 [1,1,0,0,0,0|1,0,0]=3 1225 B6R0.3 CC(C=C)C(=O)O M404731 [1,1,0,0,0,0|0,0,2]=4 1226 B6R0.3 CC(CBr)C(=O)O B135992 [1,1,0,0,0,0|1,0,0]=3 1227 B6R0.3 CC(CN)C(=O)O D131745 [1,1,0,0,0,0|1,0,0]=3 1228 B6R0.3 CC(CN)C(=O)O R340811 [1,1,0,0,0,0|1,0,0]=3 1229 B6R0.3 CC(CN)C(=O)O S340803 [1,1,0,0,0,0|1,0,0]=3 1230 B6R0.3 CC(CO)C(=O)O R343446 [1,1,0,0,0,0|1,0,0]=3 1231 B6R0.3 CC(CS)C(=O)O M158216 [1,1,0,0,0,0|1,0,0]=3 1232 B6R0.3 CC=C(C)C(=O)C M158812 [1,1,0,0,0,0|0,0,2]=4 1233 B6R0.3 CC=C(C)C(=O)C M401547 [1,1,0,0,0,0|0,0,2]=4 1234 B6R0.3 CC=C(C)C(=O)O B137277 [1,1,0,0,0,0|0,0,2]=4 1235 B6R0.3 CC=C(C)C(=O)O T107164 [1,1,0,0,0,0|0,0,2]=4 1236 B6R0.3 CCC(=C)C(=O)O E477290 [1,1,0,0,0,0|0,0,1]=3 1237 B6R0.3 CCC(=O)C(=O)C P106293 [1,1,0,0,0,0|0,0,1]=3 1238 B6R0.3 CCC(=O)C(=O)O K106253 [1,1,0,0,0,0|0,0,1]=3 1239 B6R0.3 CCC(=O)C(=O)[O-] S161412 [1,1,0,0,0,0|0,0,2]=4 1240 B6R0.3 CCC(C(=O)Br)Br B135808 [1,1,0,0,0,0|1,0,0]=3 1241 B6R0.3 CCC(C(=O)C)S M102973 [1,1,0,0,0,0|0,0,0]=2 1242 B6R0.3 CCC(C(=O)Cl)Br B192121 [1,1,0,0,0,0|1,0,0]=3 1243 B6R0.3 CCC(C(=O)Cl)Cl C139250 [1,1,0,0,0,0|1,0,0]=3 1244 B6R0.3 CCC(C(=O)N)Cl B301389 [1,1,0,0,0,0|1,0,0]=3 1245 B6R0.3 CCC(C(=O)N)N A119770 [1,1,0,0,0,0|1,0,0]=3 1246 B6R0.3 CCC(C(=O)N)N A124384 [1,1,0,0,0,0|1,0,0]=3 1247 B6R0.3 CCC(C(=O)O)Br B108037 [1,1,0,0,0,0|0,0,0]=2 1248 B6R0.3 CCC(C(=O)O)Cl C153465 [1,1,0,0,0,0|0,0,0]=2 1249 B6R0.3 CCC(C(=O)O)Cl S161173 [1,1,0,0,0,0|0,0,0]=2 1250 B6R0.3 CCC(C(=O)O)N A109788 [1,1,0,0,0,0|0,0,0]=2 1251 B6R0.3 CCC(C(=O)O)N A111241 [1,1,0,0,0,0|0,0,0]=2 1252 B6R0.3 CCC(C(=O)O)N A111260 [1,1,0,0,0,0|0,0,0]=2 1253 B6R0.3 CCC(C(=O)O)N A414642 [1,1,0,0,0,0|0,0,0]=2 1254 B6R0.3 CCC(C(=O)O)N D422924 [1,1,0,0,0,0|0,0,0]=2 1255 B6R0.3 CCC(C(=O)O)O D298806 [1,1,0,0,0,0|0,0,0]=2 1256 B6R0.3 CCC(C(=O)O)O S192800 [1,1,0,0,0,0|0,0,0]=2 1257 B6R0.3 CCC(C(=O)[O-])O H101414 [1,1,0,0,0,0|0,0,1]=3 1258 B6R0.3 CCC(C(C)C)O M304012 [1,1,0,0,0,0|1,0,1]=4 1259 B6R0.3 CCC(C)C(=O)C M158800 [1,1,0,0,0,0|0,0,0]=2 1260 B6R0.3 CCC(C)C(=O)O I167890 [1,1,0,0,0,0|0,0,0]=2 1261 B6R0.3 CCC(C)C(=O)O M107377 [1,1,0,0,0,0|0,0,0]=2 1262 B6R0.3 CCC(C)C(C)C D155235 [1,1,0,0,0,0|1,0,1]=4 1263 B6R0.3 CCC(C)C(C)C D465563 [1,1,0,0,0,0|1,0,1]=4 1264 B6R0.3 CCN(C)C(=O)C N193140 [1,1,0,0,0,0|1,0,0]=3 1265 B6R0.3 CCN(C)C(=O)Cl N159123 [1,1,0,0,0,0|2,0,0]=4 1266 B6R0.3 CNC(=O)C(=O)O M588605 [1,1,0,0,0,0|1,0,1]=4 1267 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [1,1,0,0,0,0|1,0,0]=3 1268 B6R0.4 B(CCCC)(O)O B101013 [1,1,0,0,0,0|1,0,1]=4 1269 B6R0.4 C#CCCC(=O)O P133515 [1,1,0,0,0,0|0,0,1]=3 1270 B6R0.4 C(C(=O)O)N=[N+]=[N-] A168121 [1,1,0,0,0,0|2,0,0]=4 1271 B6R0.4 C(C(=O)O)NC=O N159822 [1,1,0,0,0,0|1,0,1]=4 1272 B6R0.4 C(C=CC(=O)O)Br B152770 [1,1,0,0,0,0|0,0,2]=4 1273 B6R0.4 C(C=CC(=O)O)O T341890 [1,1,0,0,0,0|0,0,2]=4 1274 B6R0.4 C(CC(=O)Cl)CBr B102197 [1,1,0,0,0,0|1,0,0]=3 1275 B6R0.4 C(CC(=O)Cl)CCl C109449 [1,1,0,0,0,0|1,0,0]=3 1276 B6R0.4 C(CC(=O)N)CCl C168978 [1,1,0,0,0,0|1,0,0]=3 1277 B6R0.4 C(CC(=O)O)C#N C191241 [1,1,0,0,0,0|0,0,1]=3 1278 B6R0.4 C(CC(=O)O)CBr B106907 [1,1,0,0,0,0|0,0,0]=2 1279 B6R0.4 C(CC(=O)O)CCl C134513 [1,1,0,0,0,0|0,0,0]=2 1280 B6R0.4 C(CC(=O)O)CN A104200 [1,1,0,0,0,0|0,0,0]=2 1281 B6R0.4 C(CC(=O)O)CN A293557 [1,1,0,0,0,0|0,0,0]=2 1282 B6R0.4 C(CC(=O)O)CN A424756 [1,1,0,0,0,0|0,0,0]=2 1283 B6R0.4 C(CC(=O)O)CN A468499 [1,1,0,0,0,0|0,0,0]=2 1284 B6R0.4 C(CC(=O)O)CN A472038 [1,1,0,0,0,0|0,0,0]=2 1285 B6R0.4 C(CC(=O)O)CN G276591 [1,1,0,0,0,0|0,0,0]=2 1286 B6R0.4 C(CCl)NC(=O)N C153501 [1,1,0,0,0,0|2,0,0]=4 1287 B6R0.4 C(CCl)OC(=O)Cl C136442 [1,1,0,0,0,0|2,0,0]=4 1288 B6R0.4 C(CN)C[P+](=O)O A275461 [1,1,0,0,0,0|1,0,0]=3 1289 B6R0.4 C(CO)NC(=O)N H136122 [1,1,0,0,0,0|2,0,0]=4 1290 B6R0.4 C(C[N+](=O)[O-])CO N164462 [1,1,0,0,0,0|1,0,1]=4 1291 B6R0.4 C=CCCC(=O)Cl P278805 [1,1,0,0,0,0|1,0,1]=4 1292 B6R0.4 C=CCCC(=O)O P160582 [1,1,0,0,0,0|0,0,1]=3 1293 B6R0.4 CC(=CCCBr)C B470663 [1,1,0,0,0,0|1,0,1]=4 1294 B6R0.4 CC(=O)C=COC M113467 [1,1,0,0,0,0|0,0,2]=4 1295 B6R0.4 CC(=O)C=COC M434875 [1,1,0,0,0,0|0,0,2]=4 1296 B6R0.4 CC(=O)CCC=C H113634 [1,1,0,0,0,0|0,0,1]=3 1297 B6R0.4 CC(=O)CCCBr B345087 [1,1,0,0,0,0|0,0,0]=2 1298 B6R0.4 CC(=O)CCCCl C108070 [1,1,0,0,0,0|0,0,0]=2 1299 B6R0.4 CC(=O)CCSC M135087 [1,1,0,0,0,0|0,0,0]=2 1300 B6R0.4 CC(=O)NCC#N I170553 [1,1,0,0,0,0|1,0,1]=4 1301 B6R0.4 CC(=O)NCCN A117219 [1,1,0,0,0,0|1,0,0]=3 1302 B6R0.4 CC(=O)NCCO A112970 [1,1,0,0,0,0|1,0,0]=3 1303 B6R0.4 CC(=O)NCCO A112971 [1,1,0,0,0,0|1,0,0]=3 1304 B6R0.4 CC(=O)NCCS N347842 [1,1,0,0,0,0|1,0,0]=3 1305 B6R0.4 CC(=O)OCC#C P304196 [1,1,0,0,0,0|0,0,2]=4 1306 B6R0.4 CC(=O)OCC=C A107305 [1,1,0,0,0,0|0,0,2]=4 1307 B6R0.4 CC(=O)OCCBr B102635 [1,1,0,0,0,0|1,0,0]=3 1308 B6R0.4 CC(=O)OCCCl A140396 [1,1,0,0,0,0|1,0,0]=3 1309 B6R0.4 CC(=O)OCCN A588049 [1,1,0,0,0,0|1,0,0]=3 1310 B6R0.4 CC(=O)OCCO H156959 [1,1,0,0,0,0|1,0,0]=3 1311 B6R0.4 CC(=O)SCCN T340735 [1,1,0,0,0,0|1,0,0]=3 1312 B6R0.4 CC(C)CCCBr B152440 [1,1,0,0,0,0|1,0,1]=4 1313 B6R0.4 CC(C)CCCO I136441 [1,1,0,0,0,0|1,0,1]=4 1314 B6R0.4 CC(CCCBr)Br D155307 [1,1,0,0,0,0|1,0,1]=4 1315 B6R0.4 CC(CCCO)O P171240 [1,1,0,0,0,0|0,0,2]=4 1316 B6R0.4 CC=CCC(=O)O P165142 [1,1,0,0,0,0|0,0,1]=3 1317 B6R0.4 CCC#CC(=O)O P137286 [1,1,0,0,0,0|0,0,1]=3 1318 B6R0.4 CCC=CC(=O)O T162309 [1,1,0,0,0,0|0,0,1]=3 1319 B6R0.4 CCCCC(=N)N D305243 [1,1,0,0,0,0|2,0,0]=4 1320 B6R0.4 CCCCC(=O)Br V162931 [1,1,0,0,0,0|1,0,0]=3 1321 B6R0.4 CCCCC(=O)C H105743 [1,1,0,0,0,0|0,0,0]=2 1322 B6R0.4 CCCCC(=O)C H105744 [1,1,0,0,0,0|0,0,0]=2 1323 B6R0.4 CCCCC(=O)C H111491 [1,1,0,0,0,0|0,0,0]=2 1324 B6R0.4 CCCCC(=O)C H141140 [1,1,0,0,0,0|0,0,0]=2 1325 B6R0.4 CCCCC(=O)Cl V107241 [1,1,0,0,0,0|1,0,0]=3 1326 B6R0.4 CCCCC(=O)N V162967 [1,1,0,0,0,0|1,0,0]=3 1327 B6R0.4 CCCCC(=O)O V108269 [1,1,0,0,0,0|0,0,0]=2 1328 B6R0.4 CCCCC(=O)O V108270 [1,1,0,0,0,0|0,0,0]=2 1329 B6R0.4 CCCCC(=O)O V108271 [1,1,0,0,0,0|0,0,0]=2 1330 B6R0.4 CCCCC(=O)O V108272 [1,1,0,0,0,0|0,0,0]=2 1331 B6R0.4 CCCCC(=O)O V302252 [1,1,0,0,0,0|0,0,0]=2 1332 B6R0.4 CCCCC(=O)[O-] S194180 [1,1,0,0,0,0|0,0,1]=3 1333 B6R0.4 CCCCC(C)C M158516 [1,1,0,0,0,0|1,0,1]=4 1334 B6R0.4 CCCCC(C)Cl C153661 [1,1,0,0,0,0|1,0,1]=4 1335 B6R0.4 CCCCC(C)N B301374 [1,1,0,0,0,0|1,0,1]=4 1336 B6R0.4 CCCCC(C)O H105565 [1,1,0,0,0,0|0,0,2]=4 1337 B6R0.4 CCCCC(C)O I170762 [1,1,0,0,0,0|0,0,2]=4 1338 B6R0.4 CCCCC(C)O R588494 [1,1,0,0,0,0|0,0,2]=4 1339 B6R0.4 CCCCN(C)C D108036 [1,1,0,0,0,0|2,0,0]=4 1340 B6R0.4 CCCC[N+](=O)[O-] N300420 [1,1,0,0,0,0|1,0,1]=4 1341 B6R0.4 CCCC[Sn](=O)O M107696 [1,1,0,0,0,0|1,0,0]=3 1342 B6R0.4 CCCNC(=O)N P589707 [1,1,0,0,0,0|1,0,0]=3 1343 B6R0.4 CCCNC(=S)N P356262 [1,1,0,0,0,0|1,1,0]=4 1344 B6R0.4 CCCOC(=O)C P103882 [1,1,0,0,0,0|0,0,0]=2 1345 B6R0.4 CCCOC(=O)C P103883 [1,1,0,0,0,0|0,0,0]=2 1346 B6R0.4 CCCOC(=O)N P194271 [1,1,0,0,0,0|1,0,0]=3 1347 B6R0.4 CCCSC(=O)C S161333 [1,1,0,0,0,0|0,0,0]=2 1348 B6R0.4 CCCSC(C)C I157608 [1,1,0,0,0,0|1,0,1]=4 1349 B6R0.4 CCNCC(=O)O N159193 [1,1,0,0,0,0|0,0,0]=2 1350 B6R0.4 CCOCC(=O)Cl E293992 [1,1,0,0,0,0|1,0,0]=3 1351 B6R0.4 CCOCC(=O)O E156174 [1,1,0,0,0,0|0,0,0]=2 1352 B6R0.4 CCOCC(C)O E110143 [1,1,0,0,0,0|0,0,2]=4 1353 B6R0.4 CCSCC(=O)O E300419 [1,1,0,0,0,0|0,0,0]=2 1354 B6R0.4 CN(C)CCCBr B194072 [1,1,0,0,0,0|2,0,0]=4 1355 B6R0.4 CN(C)CCCCl C353600 [1,1,0,0,0,0|2,0,0]=4 1356 B6R0.4 CN(C)CCCCl D154697 [1,1,0,0,0,0|2,0,0]=4 1357 B6R0.4 CN(C)CCCN D110909 [1,1,0,0,0,0|2,0,0]=4 1358 B6R0.4 CN(C)CCCN N493682 [1,1,0,0,0,0|2,0,0]=4 1359 B6R0.4 CN(C)CCCN N494190 [1,1,0,0,0,0|2,0,0]=4 1360 B6R0.4 CN(C)CCCO D106344 [1,1,0,0,0,0|2,0,0]=4 1361 B6R0.4 CNCCC(=O)O M183299 [1,1,0,0,0,0|0,0,0]=2 1362 B6R0.4 CNCCN(C)C N159374 [1,1,0,0,0,0|2,0,0]=4 1363 B6R0.4 CNCCN(C)C N192745 [1,1,0,0,0,0|2,0,0]=4 1364 B6R0.4 COCCC(=O)O M169065 [1,1,0,0,0,0|0,0,0]=2 1365 B6R0.4 CSCCC(=O)Cl M158416 [1,1,0,0,0,0|1,0,0]=3 1366 B6R0.4 CSCCC(=O)O M158072 [1,1,0,0,0,0|0,0,0]=2 1367 B6R0.5 C(CCl)P(=O)(O)O E113521 [1,1,0,0,0,0|2,0,0]=4 1368 B6R0.5 C(CP(=O)(O)O)N A168405 [1,1,0,0,0,0|2,0,0]=4 1369 B6R0.5 C(CS(=O)(=O)O)N T103829 [1,1,0,0,0,0|2,0,0]=4 1370 B6R0.5 C(CS(=O)(=O)O)N T103831 [1,1,0,0,0,0|2,0,0]=4 1371 B6R0.5 C(CS(=O)(=O)O)N T420524 [1,1,0,0,0,0|2,0,0]=4 1372 B6R0.5 C(CS(=O)(=O)O)N T474176 [1,1,0,0,0,0|2,0,0]=4 1373 B6R0.5 C(CS(=O)(=O)O)O H113068 [1,1,0,0,0,0|2,0,0]=4 1374 B6R0.5 C(CS(=O)(=O)O)S S304898 [1,1,0,0,0,0|2,0,0]=4 1375 B6R0.5 CCCC(C)(C)C D106287 [1,1,0,0,0,0|1,0,1]=4 1376 B6R0.5 CCCS(=O)(=O)Cl P137934 [1,1,0,0,0,0|1,0,1]=4 1377 B6R0.5 CCCS(=O)(=O)O P477137 [1,1,0,0,0,0|1,0,0]=3 1378 B6R0.5 CCCS(=O)(=O)[O-] S120540 [1,1,0,0,0,0|1,0,1]=4 1379 B6R0.5 CCCS(=O)(=O)[O-] S161104 [1,1,0,0,0,0|1,0,1]=4 1380 B6R0.5 CCCS(=O)(=O)[O-] S432583 [1,1,0,0,0,0|1,0,1]=4 1381 B6R0.5 CCC[N+](C)(C)C T162053 [1,1,0,0,0,0|2,0,0]=4 1382 B6R0.5 CCC[Si](C)(C)Cl C153294 [1,1,0,0,0,0|1,1,0]=4 1383 B6R0.5 CCC[Si](C)(Cl)Cl D349601 [1,1,0,0,0,0|1,1,0]=4 1384 B6R0.5 CCOS(=O)(=O)C E103933 [1,1,0,0,0,0|2,0,0]=4 1385 B6R0.5 CS(=O)(=O)CCBr B587566 [1,1,0,0,0,0|2,0,0]=4 1386 B6R0.5 CS(=O)(=O)CCN A130035 [1,1,0,0,0,0|2,0,0]=4 1387 B6R0.5 CS(=O)(=O)CCN M589262 [1,1,0,0,0,0|2,0,0]=4 1388 B6R0.5 CS(=O)(=O)CCO H157188 [1,1,0,0,0,0|2,0,0]=4 1389 B6R0.6 CC=CCCCO H300983 [1,1,0,0,0,0|1,0,0]=3 1390 B6R0.6 CCC=CCCO C426965 [1,1,0,0,0,0|1,0,1]=4 1391 B6R0.6 CCC=CCCO H112690 [1,1,0,0,0,0|1,0,1]=4 1392 B6R0.6 CCC=CCCO L106205 [1,1,0,0,0,0|1,0,1]=4 1393 B6R0.6 CCCC#CCO H157375 [1,1,0,0,0,0|1,0,1]=4 1394 B6R0.6 CCCC=CC=O H107633 [1,1,0,0,0,0|1,0,1]=4 1395 B6R0.6 CCCC=CC=O T425385 [1,1,0,0,0,0|1,0,1]=4 1396 B6R0.6 CCCC=CCO C153482 [1,1,0,0,0,0|1,0,0]=3 1397 B6R0.6 CCCC=CCO H102077 [1,1,0,0,0,0|1,0,0]=3 1398 B6R0.6 CCCCCCBr B105244 [1,1,0,0,0,0|1,0,1]=4 1399 B6R0.6 CCCCCCBr B471923 [1,1,0,0,0,0|1,0,1]=4 1400 B6R0.6 CCCCCCC H108102 [1,1,0,0,0,0|1,0,1]=4 1401 B6R0.6 CCCCCCC H108103 [1,1,0,0,0,0|1,0,1]=4 1402 B6R0.6 CCCCCCC H108105 [1,1,0,0,0,0|1,0,1]=4 1403 B6R0.6 CCCCCCC H108108 [1,1,0,0,0,0|1,0,1]=4 1404 B6R0.6 CCCCCCC H108111 [1,1,0,0,0,0|1,0,1]=4 1405 B6R0.6 CCCCCCC H108112 [1,1,0,0,0,0|1,0,1]=4 1406 B6R0.6 CCCCCCC H118382 [1,1,0,0,0,0|1,0,1]=4 1407 B6R0.6 CCCCCCC H119701 [1,1,0,0,0,0|1,0,1]=4 1408 B6R0.6 CCCCCCCl C109280 [1,1,0,0,0,0|1,0,1]=4 1409 B6R0.6 CCCCCCCl C109281 [1,1,0,0,0,0|1,0,1]=4 1410 B6R0.6 CCCCCCI I157578 [1,1,0,0,0,0|1,0,1]=4 1411 B6R0.6 CCCCCCN H105333 [1,1,0,0,0,0|1,0,1]=4 1412 B6R0.6 CCCCCCN H157035 [1,1,0,0,0,0|1,0,1]=4 1413 B6R0.6 CCCCCCN H292813 [1,1,0,0,0,0|1,0,1]=4 1414 B6R0.6 CCCCCCN H491868 [1,1,0,0,0,0|1,0,1]=4 1415 B6R0.6 CCCCCCO H103420 [1,1,0,0,0,0|1,0,1]=4 1416 B6R0.6 CCCCCCO H103421 [1,1,0,0,0,0|1,0,1]=4 1417 B6R0.6 CCCCCCO H103422 [1,1,0,0,0,0|1,0,1]=4 1418 B6R0.6 CCCCCCO H103423 [1,1,0,0,0,0|1,0,1]=4 1419 B6R0.6 CCCCCCO H119678 [1,1,0,0,0,0|1,0,1]=4 1420 B6R0.6 CCCCCCS H100786 [1,1,0,0,0,0|1,0,1]=4 1421 B6R0.6 CCCCCCS H299109 [1,1,0,0,0,0|1,0,1]=4 1422 B6R0.6 CCCCCC[NH3+] H292817 [1,1,0,0,0,0|1,0,1]=4 1423 B6R0.6 CCCCCC[NH3+] H492547 [1,1,0,0,0,0|1,0,1]=4 1424 B6R0.6 CCCCCC[Si] H357381 [1,1,0,0,0,0|1,0,1]=4 1425 B6R0.6 CCCCCNC M124210 [1,1,0,0,0,0|1,0,1]=4 1426 B6R0.6 CCCCCSC A151354 [1,1,0,0,0,0|0,1,1]=4 1427 B6R0.6 CCCCNCC N158928 [1,1,0,0,0,0|1,0,1]=4 1428 B6R0.6 CCCCOC=C B123186 [1,1,0,0,0,0|0,0,2]=4 1429 B6R0.6 CCCCOC=C B123187 [1,1,0,0,0,0|0,0,2]=4 1430 B6R0.6 CCCCOC=O B109260 [1,1,0,0,0,0|0,0,2]=4 1431 B6R0.6 CCCCOC=O B109261 [1,1,0,0,0,0|0,0,2]=4 1432 B6R0.6 CCCCON=O B134686 [1,1,0,0,0,0|1,0,1]=4 1433 B6R0.6 CCCCSCC B152507 [1,1,0,0,0,0|0,1,1]=4 1434 B6R0.6 CCCNCCC D100329 [1,1,0,0,0,0|1,0,1]=4 1435 B6R0.6 CCCNCCC D100330 [1,1,0,0,0,0|1,0,1]=4 1436 B6R0.6 CCCNCCC D154684 [1,1,0,0,0,0|1,0,1]=4 1437 B6R0.6 CCCNCCC D404364 [1,1,0,0,0,0|1,0,1]=4 1438 B6R0.6 CCCNCCN N336391 [1,1,0,0,0,0|2,0,0]=4 1439 B6R0.6 CCCOCCC P160596 [1,1,0,0,0,0|1,0,1]=4 1440 B6R0.6 CCCOCCCl C137234 [1,1,0,0,0,0|2,0,0]=4 1441 B6R0.6 CCCOCCN P160362 [1,1,0,0,0,0|2,0,0]=4 1442 B6R0.6 CCCOCCO P107659 [1,1,0,0,0,0|2,0,0]=4 1443 B6R0.6 CCCOCCO P299319 [1,1,0,0,0,0|2,0,0]=4 1444 B6R0.6 CCCSCCC D102909 [1,1,0,0,0,0|1,0,1]=4 1445 B6R0.6 CCNCCCO E300231 [1,1,0,0,0,0|2,0,0]=4 1446 B6R0.6 CCOCCCN E156297 [1,1,0,0,0,0|1,0,1]=4 1447 B6R0.6 CCOCCCO E108059 [1,1,0,0,0,0|1,0,1]=4 1448 B6R0.6 CCOCCOC E331012 [1,1,0,0,0,0|0,0,1]=3 1449 B6R0.6 CCOCOCC D109106 [1,1,0,0,0,0|1,0,1]=4 1450 B6R0.6 CCOCOCC D139939 [1,1,0,0,0,0|1,0,1]=4 1451 B6R0.6 CCO[Sn]OCC T282972 [1,1,0,0,0,0|2,0,0]=4 1452 B6R0.6 CCSCCCO E300079 [1,1,0,0,0,0|2,0,0]=4 1453 B6R0.6 CNCCCCO M193351 [1,1,0,0,0,0|1,0,1]=4 1454 B6R0.6 CNCCCNC D124206 [1,1,0,0,0,0|1,0,1]=4 1455 B6R0.6 COCCCCBr B152834 [1,1,0,0,0,0|0,0,1]=3 1456 B6R0.6 COCCCCO B152046 [1,1,0,0,0,0|0,0,1]=3 1457 B6R0.6 COCCOCCl M113466 [1,1,0,0,0,0|1,0,1]=4 1458 B6R0.6 COCOCCBr B165961 [1,1,0,0,0,0|1,0,1]=4 1459 B6R0.6 CSCCCCO M468928 [1,1,0,0,0,0|0,1,1]=4 1460 B6R0.8 CCC(C)(C)OC T105930 [1,1,0,0,0,0|1,0,1]=4 1461 B6R0.8 CCC(C)(C)OC T105931 [1,1,0,0,0,0|1,0,1]=4 1462 B6R0.8 CCC(C)(C)OC T485859 [1,1,0,0,0,0|1,0,1]=4 1463 B6R0.8 CCP(=O)(CC)O D590241 [1,1,0,0,0,0|2,0,0]=4 1464 B6R0.8 CCP(=O)(CC)[O-] A303123 [1,1,0,0,0,0|2,0,0]=4 1465 B6R0.8 CCS(=O)(=O)CC D304098 [1,1,0,0,0,0|2,0,0]=4 1466 B6R0.8 COP(=O)(O)OC D186732 [1,1,0,0,0,0|2,0,0]=4 1467 B6R0.8 COP(=O)(OC)Cl D137376 [1,1,0,0,0,0|2,0,0]=4 1468 B6R0.8 COP(=O)([O-])OC D350619 [1,1,0,0,0,0|2,0,0]=4 1469 B6R0.8 COS(=O)(=O)OC D121275 [1,1,0,0,0,0|2,0,0]=4 1470 B6R0.9 CCC(=CC)CC E156180 [1,1,0,0,0,0|2,0,0]=4 1471 B6R0.9 CCC(CC)C=O E156502 [1,1,0,0,0,0|1,0,1]=4 1472 B6R0.9 CCC(CO)OC M158746 [1,1,0,0,0,0|0,0,2]=4 1473 B6R0.9 CCC(OC)OC P160797 [1,1,0,0,0,0|0,0,2]=4 1474 B6R0.9 CCN(CC)C=O D102964 [1,1,0,0,0,0|2,0,0]=4 1475 B6R0.9 CCN(CC)N=O N109570 [1,1,0,0,0,0|2,0,0]=4 1476 B6R0.9 CCN(CC)N=O N109571 [1,1,0,0,0,0|2,0,0]=4 1477 B6R0.9 CCN(CC)N=O N358096 [1,1,0,0,0,0|2,0,0]=4 1478 B6R0.9 CCN(CC)N=O N424700 [1,1,0,0,0,0|2,0,0]=4 1479 B6R0.9 COC(C=O)OC D170733 [1,1,0,0,0,0|1,0,1]=4 1480 B8R0.2 CC(=O)C(C(=O)OC)Cl M135839 [0,2,0,0,0,0|0,0,1]=3 1481 B8R0.2 CC(C(C(=O)OC)N)O T117005 [0,2,0,0,0,0|0,0,0]=2 1482 B8R0.2 CC(C)C(C(=O)OC)N D133919 [0,2,0,0,0,0|0,0,0]=2 1483 B8R0.2 CC(C)C(C(=O)OC)N V105985 [0,2,0,0,0,0|0,0,0]=2 1484 B8R0.2 CC(C)C(C(=O)OC)N V117182 [0,2,0,0,0,0|0,0,0]=2 1485 B8R0.2 CCC(C)C(=O)C(=O)O M158380 [0,2,0,0,0,0|2,0,0]=4 1486 B8R0.2 CCC(C)C(=O)C(=O)[O-] C154025 [0,2,0,0,0,0|2,0,0]=4 1487 B8R0.5 CC(C)OC(=O)CC#N I111831 [0,2,0,0,0,0|1,0,1]=4 1488 B8R0.5 CC(C)OC(=O)CCS M119588 [0,2,0,0,0,0|1,0,0]=3 1489 B8R0.5 CC(C)OC(=O)OCCl C122340 [0,2,0,0,0,0|1,0,0]=3 1490 B8R0.5 CCCC(=O)CC(C)C M158863 [0,2,0,0,0,0|1,0,0]=3 1491 B8R0.5 CCCC(=O)OC(C)C I157502 [0,2,0,0,0,0|0,0,0]=2 1492 B8R0.5 CCOC(=O)C=C(C)C E156154 [0,2,0,0,0,0|0,0,2]=4 1493 B8R0.5 CCOC(=O)C=C(C)N E101139 [0,2,0,0,0,0|0,0,2]=4 1494 B8R0.5 CCOC(=O)C=C(C)N E136853 [0,2,0,0,0,0|0,0,2]=4 1495 B8R0.5 CCOC(=O)CC(=N)N A185319 [0,2,0,0,0,0|1,0,1]=4 1496 B8R0.5 CCOC(=O)CC(=O)C E103937 [0,2,0,0,0,0|0,0,1]=3 1497 B8R0.5 CCOC(=O)CC(=O)C E103939 [0,2,0,0,0,0|0,0,1]=3 1498 B8R0.5 CCOC(=O)CC(=O)C E474098 [0,2,0,0,0,0|0,0,1]=3 1499 B8R0.5 CCOC(=O)CC(=O)Cl E122639 [0,2,0,0,0,0|1,0,1]=4 1500 B8R0.5 CCOC(=O)CC(=O)N E194938 [0,2,0,0,0,0|1,0,1]=4 1501 B8R0.5 CCOC(=O)CC(=O)O M158864 [0,2,0,0,0,0|1,0,1]=4 1502 B8R0.5 CCOC(=O)CC(=O)[O-] M158631 [0,2,0,0,0,0|1,0,1]=4 1503 B8R0.5 CCOC(=O)CC(=S)N E190709 [0,2,0,0,0,0|1,0,1]=4 1504 B8R0.5 CCOC(=O)CC(C)C E108583 [0,2,0,0,0,0|0,0,0]=2 1505 B8R0.5 CCOC(=O)CC(C)C E108585 [0,2,0,0,0,0|0,0,0]=2 1506 B8R0.5 CCOC(=O)CC(C)N E170814 [0,2,0,0,0,0|0,0,0]=2 1507 B8R0.5 CCOC(=O)CC(C)O E101452 [0,2,0,0,0,0|0,0,0]=2 1508 B8R0.5 CCOC(=O)CC(C)O E118391 [0,2,0,0,0,0|0,0,0]=2 1509 B8R0.5 CCOC(=O)CC(C)O E156467 [0,2,0,0,0,0|0,0,0]=2 1510 B8R0.5 CCOC(=O)CN(C)C E136550 [0,2,0,0,0,0|1,0,0]=3 1511 B8R0.5 CCOC(=O)C[N+](=O)[O-] E110257 [0,2,0,0,0,0|2,0,0]=4 1512 B8R0.5 CCOC(=O)C[S+](C)C E170751 [0,2,0,0,0,0|1,0,0]=3 1513 B8R0.5 CCOC(=O)OC(C)Cl C102108 [0,2,0,0,0,0|1,0,0]=3 1514 B8R0.19 CC(=CC(=O)OC)NC M167026 [0,2,0,0,0,0|0,0,2]=4 1515 B8R0.19 CC(=CC(=O)OC)OC E170426 [0,2,0,0,0,0|0,0,2]=4 1516 B8R0.19 CCC(=O)CC(=O)CC H102410 [0,2,0,0,0,0|1,0,0]=3 1517 B8R0.19 CCC(=O)CC(=O)OC M109572 [0,2,0,0,0,0|0,0,0]=2 1518 B8R0.19 CCC(=O)OC(=O)CC P106800 [0,2,0,0,0,0|1,0,1]=4 1519 B8R0.19 CCC(=O)OC(=O)CC P137907 [0,2,0,0,0,0|1,0,1]=4 1520 B8R0.19 CCC(C)CC(=O)CC M158857 [0,2,0,0,0,0|1,0,0]=3 1521 B8R0.19 CCC(CC(=O)OC)O M465384 [0,2,0,0,0,0|0,0,0]=2 1522 B8R0.19 COC(=O)CC(=O)CCl M158829 [0,2,0,0,0,0|0,0,1]=3 1523 B8R0.19 COC(=O)CC(=O)OC D103051 [0,2,0,0,0,0|0,0,1]=3 1524 B8R0.19 COC(=O)OC(=O)OC D135145 [0,2,0,0,0,0|1,0,1]=4 1525 B8R0.23 CC(=O)CC(=O)N(C)C N159276 [0,2,0,0,0,0|1,0,1]=4 1526 B8R0.23 CC(C)C(=O)OC(C)C I157500 [0,2,0,0,0,0|2,0,0]=4 1527 B8R0.23 CC(C)CC(=O)C(=O)O M104530 [0,2,0,0,0,0|2,0,0]=4 1528 B8R0.23 CC(C)CC(=O)C(=O)O M401024 [0,2,0,0,0,0|2,0,0]=4 1529 B8R0.23 CC(C)CC(=O)C(=O)[O-] C107926 [0,2,0,0,0,0|2,0,0]=4 1530 B8R0.23 CC(C)CC(=O)C(=O)[O-] M136620 [0,2,0,0,0,0|2,0,0]=4 1531 B8R0.23 CC(C)CC(=O)C(C)C D154365 [0,2,0,0,0,0|1,0,0]=3 1532 B8R0.23 CC(C)NC(=O)C(=C)C I132125 [0,2,0,0,0,0|2,0,0]=4 1533 B8R0.23 CC(C)OC(=O)C(=C)C I157609 [0,2,0,0,0,0|2,0,0]=4 1534 B8R0.23 CC(C)OC(=O)C(C)N A113261 [0,2,0,0,0,0|2,0,0]=4 1535 B8R0.23 CC(C)OC(=O)C(C)N D303645 [0,2,0,0,0,0|2,0,0]=4 1536 B8R0.24 CC(C)(C)OC(=O)NC T138324 [0,2,0,0,0,0|2,0,0]=4 1537 B8R0.24 CCC(=O)OC(C)(C)C T162406 [0,2,0,0,0,0|2,0,0]=4 1538 B8R0.24 COC(=O)CC(F)(F)F M158814 [0,2,0,0,0,0|1,0,0]=3 1539 B8R0.24 COC(=O)CS(=O)(=O)C M123593 [0,2,0,0,0,0|1,0,0]=3 1540 B8R0.24 COC(=O)CS(=O)(=O)Cl M589492 [0,2,0,0,0,0|2,0,0]=4 1541 B8R0.24 COC(=O)C[Si](C)(C)C M342470 [0,2,0,0,0,0|0,1,0]=3 1542 B8R0.1 C=CCOC(=O)CC#N A151102 [0,2,0,0,0,0|1,0,1]=4 1543 B8R0.1 CC=CC(=O)OCC=C A168419 [0,2,0,0,0,0|0,0,2]=4 1544 B8R0.1 CCC#CC(=O)OCC E189158 [0,2,0,0,0,0|0,0,1]=3 1545 B8R0.1 CCCC(=O)OCCC P100043 [0,2,0,0,0,0|0,0,0]=2 1546 B8R0.1 CCCC(=O)OCCC P100044 [0,2,0,0,0,0|0,0,0]=2 1547 B8R0.1 CCCCC(=O)C=CC O160046 [0,2,0,0,0,0|1,0,0]=3 1548 B8R0.1 CCCCC(=O)CCC O160045 [0,2,0,0,0,0|1,0,0]=3 1549 B8R0.1 CCCCC(=O)OCC E105293 [0,2,0,0,0,0|0,0,0]=2 1550 B8R0.1 CCCCC(=O)OCC E105294 [0,2,0,0,0,0|0,0,0]=2 1551 B8R0.1 CCCCC(=O)OCC E118465 [0,2,0,0,0,0|0,0,0]=2 1552 B8R0.1 CCCOC(=O)CC#N P160480 [0,2,0,0,0,0|1,0,1]=4 1553 B8R0.1 CCOC(=O)C=CCBr E113754 [0,2,0,0,0,0|0,0,2]=4 1554 B8R0.1 CCOC(=O)C=CCBr E589630 [0,2,0,0,0,0|0,0,2]=4 1555 B8R0.1 CCOC(=O)CCC=C E156151 [0,2,0,0,0,0|0,0,1]=3 1556 B8R0.1 CCOC(=O)CCCBr E106908 [0,2,0,0,0,0|0,0,0]=2 1557 B8R0.1 CCOC(=O)CCCBr E639064 [0,2,0,0,0,0|0,0,0]=2 1558 B8R0.1 CCOC(=O)CCCCl E135072 [0,2,0,0,0,0|0,0,0]=2 1559 B8R0.1 CCOC(=O)CCCCl E493598 [0,2,0,0,0,0|0,0,0]=2 1560 B8R0.1 CCOC(=O)CCCN E122453 [0,2,0,0,0,0|0,0,0]=2 1561 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [0,2,0,0,0,0|0,0,0]=2 1562 B8R0.1 CCOC(=O)CCSC E107629 [0,2,0,0,0,0|0,0,0]=2 1563 B8R0.1 CCOC(=O)CN=C=O E156271 [0,2,0,0,0,0|1,0,1]=4 1564 B8R0.1 CCOC(=O)CN=C=S E101903 [0,2,0,0,0,0|1,0,1]=4 1565 B8R0.1 CCOC(=O)CN=[N+]=[N-] E189179 [0,2,0,0,0,0|2,0,0]=4 1566 B8R0.1 CCOC(=O)CNC=O N159320 [0,2,0,0,0,0|1,0,1]=4 1567 B8R0.1 CCOC(=O)OCC=C A151039 [0,2,0,0,0,0|1,0,0]=3 1568 B8R0.1 CCOCC(=O)OCC E195171 [0,2,0,0,0,0|0,0,0]=2 1569 B8R0.3 CC(COC)C(=O)OC M157985 [0,2,0,0,0,0|0,0,0]=2 1570 B8R0.3 CCC(C(=O)OCC)Br E110204 [0,2,0,0,0,0|0,0,0]=2 1571 B8R0.3 CCC(C(=O)OCC)N E185185 [0,2,0,0,0,0|0,0,0]=2 1572 B8R0.3 CCC(C(=O)OCC)O E156260 [0,2,0,0,0,0|0,0,0]=2 1573 B8R0.3 CCC(C)C(=O)C=CC W136042 [0,2,0,0,0,0|1,0,0]=3 1574 B8R0.3 CCC(C)C(=O)OCC E117676 [0,2,0,0,0,0|0,0,0]=2 1575 B8R0.3 CCCC(=O)C(C)CC M158867 [0,2,0,0,0,0|1,0,0]=3 1576 B8R0.3 CCCC(=O)N(C)OC N404707 [0,2,0,0,0,0|0,0,0]=2 1577 B8R0.3 CCCC(C(=O)NO)N B300173 [0,2,0,0,0,0|2,0,0]=4 1578 B8R0.3 CCCC(C)C(=O)OC B300583 [0,2,0,0,0,0|0,0,0]=2 1579 B8R0.3 CCOC(=O)C(=C)CBr E124201 [0,2,0,0,0,0|1,0,1]=4 1580 B8R0.3 CCOC(=O)C(=C)CO E156133 [0,2,0,0,0,0|1,0,1]=4 1581 B8R0.3 CCOC(=O)C(=CC)C E117529 [0,2,0,0,0,0|0,0,2]=4 1582 B8R0.3 CCOC(=O)C(=O)CBr E111180 [0,2,0,0,0,0|1,0,1]=4 1583 B8R0.3 CCOC(=O)C(C)C#N E124214 [0,2,0,0,0,0|1,0,1]=4 1584 B8R0.3 CCOC(=O)C(C=O)Cl E183753 [0,2,0,0,0,0|1,0,1]=4 1585 B8R0.3 CCOC(=O)C(CBr)Br E102371 [0,2,0,0,0,0|1,0,0]=3 1586 B8R0.3 CCOC(=O)C(CCl)O E357552 [0,2,0,0,0,0|1,0,0]=3 1587 B8R0.3 CCOC(=O)C(CO)N D188981 [0,2,0,0,0,0|1,0,0]=3 1588 B8R0.3 CCOC(=O)C(CO)N S105478 [0,2,0,0,0,0|1,0,0]=3 1589 B8R0.3 CCOC(=O)C(CS)N C100827 [0,2,0,0,0,0|1,0,0]=3 1590 B8R0.3 CCOC(=O)N(C)N=O N135222 [0,2,0,0,0,0|2,0,0]=4 1591 B8R0.3 COC(=O)C(CCBr)Br M588617 [0,2,0,0,0,0|0,0,0]=2 1592 B8R0.6 CC=CC=CC(=O)OC M158512 [0,2,0,0,0,0|0,0,2]=4 1593 B8R0.6 CCCC=CC(=O)OC M134288 [0,2,0,0,0,0|0,0,0]=2 1594 B8R0.6 CCCCCC(=O)C=C O160047 [0,2,0,0,0,0|1,0,1]=4 1595 B8R0.6 CCCCCC(=O)CC O106928 [0,2,0,0,0,0|1,0,0]=3 1596 B8R0.6 CCCCCC(=O)CC O106929 [0,2,0,0,0,0|1,0,0]=3 1597 B8R0.6 CCCCCC(=O)OC M112312 [0,2,0,0,0,0|0,0,0]=2 1598 B8R0.6 CCCCCC(=O)OC M112313 [0,2,0,0,0,0|0,0,0]=2 1599 B8R0.6 CCCCCC(=O)OC M112314 [0,2,0,0,0,0|0,0,0]=2 1600 B8R0.6 CCCCNC(=O)C=C N405436 [0,2,0,0,0,0|1,0,1]=4 1601 B8R0.6 CCCCNC(=O)CCl N193799 [0,2,0,0,0,0|2,0,0]=4 1602 B8R0.6 CCCCOC(=O)C=C B100034 [0,2,0,0,0,0|1,0,1]=4 1603 B8R0.6 CCCCOC(=O)C=C B100035 [0,2,0,0,0,0|1,0,1]=4 1604 B8R0.6 CCCCOC(=O)C=C B100036 [0,2,0,0,0,0|1,0,1]=4 1605 B8R0.6 CCCCOC(=O)C=C B100037 [0,2,0,0,0,0|1,0,1]=4 1606 B8R0.6 CCCCOC(=O)CC B152863 [0,2,0,0,0,0|1,0,0]=3 1607 B8R0.6 CCCCOC(=O)CCl B152888 [0,2,0,0,0,0|2,0,0]=4 1608 B8R0.6 CCCCOC(=O)CO B134012 [0,2,0,0,0,0|2,0,0]=4 1609 B8R0.6 CCCCOC(=O)CO B493056 [0,2,0,0,0,0|2,0,0]=4 1610 B8R0.6 CCCCOC(=O)CS B152740 [0,2,0,0,0,0|2,0,0]=4 1611 B8R0.6 COC(=O)CCCC=C M158008 [0,2,0,0,0,0|0,0,0]=2 1612 B8R0.6 COC(=O)CCCC=O M589623 [0,2,0,0,0,0|0,0,0]=2 1613 B8R0.6 COC(=O)CCCCBr M157983 [0,2,0,0,0,0|0,0,0]=2 1614 B8R0.6 COC(=O)CCCCCl M167259 [0,2,0,0,0,0|0,0,0]=2 1615 B8R0.6 COC(=O)COCCCl M195238 [0,2,0,0,0,0|0,0,0]=2 1616 B8R0.6 COCCOC(=O)C=C E102687 [0,2,0,0,0,0|1,0,1]=4 1617 B8R0.6 COCCOC(=O)C=C P133111 [0,2,0,0,0,0|1,0,1]=4 1618 B8R0.6 COCCOC(=O)C=C P133370 [0,2,0,0,0,0|1,0,1]=4 1619 B8R0.6 COCCOC(=O)C=C P136232 [0,2,0,0,0,0|1,0,1]=4 1620 B8R0.8 CC(=C)C(=O)OCCBr B589157 [0,2,0,0,0,0|2,0,0]=4 1621 B8R0.8 CC(=C)C(=O)OCCCl M140401 [0,2,0,0,0,0|2,0,0]=4 1622 B8R0.8 CC(=C)C(=O)OCCN A168938 [0,2,0,0,0,0|2,0,0]=4 1623 B8R0.8 CC(=C)C(=O)OCCO H103044 [0,2,0,0,0,0|2,0,0]=4 1624 B8R0.8 CC(=C)C(=O)OCCO H140643 [0,2,0,0,0,0|2,0,0]=4 1625 B8R0.8 CC(=C)C(=O)OCCO H140644 [0,2,0,0,0,0|2,0,0]=4 1626 B8R0.8 CC(=C)C(=O)OCCO H303891 [0,2,0,0,0,0|2,0,0]=4 1627 B8R0.8 CC(=C)C(=O)OCCO H434293 [0,2,0,0,0,0|2,0,0]=4 1628 B8R0.8 CC(C(=O)NCCO)O N158965 [0,2,0,0,0,0|2,0,0]=4 1629 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,2,0,0,0,0|1,0,0]=3 1630 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [0,2,0,0,0,0|2,0,0]=4 1631 B8R0.8 CCCCC(=O)C(C)C M158862 [0,2,0,0,0,0|1,0,0]=3 1632 B8R0.8 CCCOC(=O)C(=C)C N338922 [0,2,0,0,0,0|1,0,0]=3 1633 B8R0.8 CCCOC(=O)C(C)C P133971 [0,2,0,0,0,0|1,0,0]=3 1634 B8R0.8 CCCOC(=O)C(C)O P160122 [0,2,0,0,0,0|1,0,0]=3 1635 B8R0.8 CN(C)C(=O)CCOC M404748 [0,2,0,0,0,0|1,0,0]=3 1636 B8R0.9 CC(=O)C=CC(=O)OC M157976 [0,2,0,0,0,0|0,0,2]=4 1637 B8R0.9 CC(=O)C=CC(=O)OC M464501 [0,2,0,0,0,0|0,0,2]=4 1638 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,2,0,0,0,0|0,0,0]=2 1639 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,2,0,0,0,0|0,0,0]=2 1640 B8R0.9 CC(=O)NCC(=O)NC A342681 [0,2,0,0,0,0|1,0,1]=4 1641 B8R0.9 CC(C)CCC(=O)OC M464241 [0,2,0,0,0,0|0,0,0]=2 1642 B8R0.9 CC(C)COC(=O)C=C I111441 [0,2,0,0,0,0|1,0,1]=4 1643 B8R0.9 CC(COC(=O)C=C)O H100855 [0,2,0,0,0,0|1,0,1]=4 1644 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,2,0,0,0,0|1,0,1]=4 1645 B8R0.9 CCC(=O)OCC(C)C I157498 [0,2,0,0,0,0|1,0,0]=3 1646 B8R0.9 CN(C)CCC(=O)OC M170066 [0,2,0,0,0,0|0,0,0]=2 1647 B8R0.9 COC(=O)CCC(=O)Cl M132641 [0,2,0,0,0,0|0,0,1]=3 1648 B8R0.9 COC(=O)CCC(=O)N M158316 [0,2,0,0,0,0|0,0,1]=3 1649 B8R0.9 COC(=O)CCC(=O)O M102991 [0,2,0,0,0,0|0,0,1]=3 1650 B8R0.9 COC(=O)CCS(=O)[O-] S139412 [0,2,0,0,0,0|1,0,0]=3 1651 B8R0.11 CCCC=C(CC)C=O E156033 [0,2,0,0,0,0|1,0,0]=3 1652 B8R0.11 CCCCC(CC)C=O E156034 [0,2,0,0,0,0|1,0,1]=4 1653 B8R0.11 COC(CCCCl)OC C133630 [0,2,0,0,0,0|0,0,2]=4 1654 B8R0.11 COC(CCCN)OC A132534 [0,2,0,0,0,0|0,0,2]=4 1655 B8R0.25 CO[Si](C)(C)CCCN A357580 [0,2,0,0,0,0|1,1,0]=4 1656 B8R0.14 CCCC(=O)C(C)(C)C D185098 [0,2,0,0,0,0|1,0,0]=3 1657 B8R0.14 CCOC(=O)C(C)(C)Br E104492 [0,2,0,0,0,0|2,0,0]=4 1658 B8R0.14 CCOC(=O)C(C)(C)C E137587 [0,2,0,0,0,0|2,0,0]=4 1659 B8R0.14 CCOC(=O)C(C)(C)I E156365 [0,2,0,0,0,0|2,0,0]=4 1660 B8R0.14 CCOC(=O)C(C)(C)N H182075 [0,2,0,0,0,0|2,0,0]=4 1661 B8R0.14 CCOC(=O)C(C)(C)O E111355 [0,2,0,0,0,0|2,0,0]=4 1662 B8R0.14 CCOC(=O)C(C)(F)F D419047 [0,2,0,0,0,0|2,0,0]=4 1663 B8R0.22 CCCN(CCC)C=O D124598 [0,2,0,0,0,0|2,0,0]=4 1664 B8R0.22 CCCN(CCC)N=O N114392 [0,2,0,0,0,0|2,0,0]=4 1665 B8R0.22 CCCN(CCC)N=O N118829 [0,2,0,0,0,0|2,0,0]=4 1666 B8R0.30 CCCS(=O)(=O)CCC D154782 [0,2,0,0,0,0|2,0,0]=4 1667 B8R0.30 CCOP(=O)(N)OCC D155691 [0,2,0,0,0,0|2,0,0]=4 1668 B8R0.30 CCOP(=O)(O)OCC D194124 [0,2,0,0,0,0|2,0,0]=4 1669 B8R0.30 CCOP(=O)([O-])OCC W196197 [0,2,0,0,0,0|2,0,0]=4 1670 B8R0.30 CCOS(=O)(=O)OCC D110630 [0,2,0,0,0,0|2,0,0]=4 1671 B8R0.30 CCOS(=O)(=O)OCC D110632 [0,2,0,0,0,0|2,0,0]=4 1672 B8R0.13 CC(C)(C#N)C(=O)OC M186249 [0,2,0,0,0,0|1,0,1]=4 1673 B8R0.13 CC(C)(C=O)C(=O)OC M587124 [0,2,0,0,0,0|1,0,1]=4 1674 B8R0.13 CC(C)(CO)C(=O)OC M138208 [0,2,0,0,0,0|1,0,0]=3 1675 B8R0.20 CCC(=O)N(CC)CC N159275 [0,2,0,0,0,0|2,0,0]=4 1676 B8R0.20 COC(=O)C(CBr)CBr M158856 [0,2,0,0,0,0|1,0,0]=3 1677 B8R0.20 COC(C(=O)OC)OC M102644 [0,2,0,0,0,0|1,0,0]=3 1678 B8R0.20 COC(C(=O)OC)OC M141487 [0,2,0,0,0,0|1,0,0]=3 1679 B6R1.2 C1C=CC(=O)O1 F107943 [1,0,0,1,0,0|0,0,2]=4 1680 B6R1.2 C1CC(=N)SC1 I106793 [1,0,0,1,0,0|1,1,0]=4 1681 B6R1.2 C1CC(=N)SC1 I492458 [1,0,0,1,0,0|1,1,0]=4 1682 B6R1.2 C1CC(=NC1)N A151483 [1,0,0,1,0,0|2,0,0]=4 1683 B6R1.2 C1CC(=O)C=C1 C139450 [1,0,0,1,0,0|0,0,2]=4 1684 B6R1.2 C1CC(=O)NC1 P112692 [1,0,0,1,0,0|1,0,0]=3 1685 B6R1.2 C1CC(=O)NC1 P468968 [1,0,0,1,0,0|1,0,0]=3 1686 B6R1.2 C1CC(=O)SC1 T472178 [1,0,0,1,0,0|0,1,0]=3 1687 B6R1.2 C1CC(OC1)O H355199 [1,0,0,1,0,0|0,0,2]=4 1688 B6R1.2 C1CCC(=O)C1 C108566 [1,0,0,1,0,0|0,0,0]=2 1689 B6R1.2 C1CCC(=O)C1 C108567 [1,0,0,1,0,0|0,0,0]=2 1690 B6R1.2 C1CCC(=O)C1 C108568 [1,0,0,1,0,0|0,0,0]=2 1691 B6R1.2 C1CCC(=O)C1 C108569 [1,0,0,1,0,0|0,0,0]=2 1692 B6R1.2 C1CCC(C1)Br C105791 [1,0,0,1,0,0|1,0,1]=4 1693 B6R1.2 C1CCC(C1)Cl C153546 [1,0,0,1,0,0|1,0,1]=4 1694 B6R1.2 C1CCC(C1)F F156721 [1,0,0,1,0,0|1,0,1]=4 1695 B6R1.2 C1CCC(C1)I I167554 [1,0,0,1,0,0|1,0,1]=4 1696 B6R1.2 C1CCC(C1)N C111427 [1,0,0,1,0,0|1,0,1]=4 1697 B6R1.2 C1CCC(C1)O C110398 [1,0,0,1,0,0|0,0,2]=4 1698 B6R1.2 C1CCC(C1)S C106982 [1,0,0,1,0,0|0,1,1]=4 1699 B6R1.2 C1CCS(=O)C1 T162808 [1,0,0,1,0,0|1,0,0]=3 1700 B6R1.2 C1CNC(=O)N1 I157588 [1,0,0,1,0,0|2,0,0]=4 1701 B6R1.2 C1CNC(=O)N1 I299072 [1,0,0,1,0,0|2,0,0]=4 1702 B6R1.2 C1CNCC1=O P176320 [1,0,0,1,0,0|1,0,0]=3 1703 B6R1.2 C1COC(=O)N1 O133460 [1,0,0,1,0,0|1,0,0]=3 1704 B6R1.2 C1COC(=O)O1 E105727 [1,0,0,1,0,0|1,0,0]=3 1705 B6R1.2 C1COC(=O)O1 E105728 [1,0,0,1,0,0|1,0,0]=3 1706 B6R1.2 C1COC(=S)N1 B301323 [1,0,0,1,0,0|1,1,0]=4 1707 B6R1.2 C1COCC1=O T161567 [1,0,0,1,0,0|1,0,0]=3 1708 B6R1.2 C1COS(=O)O1 G120334 [1,0,0,1,0,0|2,0,0]=4 1709 B6R1.2 C1CSC(=O)N1 T192435 [1,0,0,1,0,0|1,1,0]=4 1710 B6R1.2 C1CSCC1=O D106839 [1,0,0,1,0,0|1,0,0]=3 1711 B6R1.2 C=C1CCCC1 M158228 [1,0,0,1,0,0|1,0,0]=3 1712 B6R1.2 CC1=CCCC1 M158230 [1,0,0,1,0,0|1,0,0]=3 1713 B6R1.2 CC1=NCCC1 M187405 [1,0,0,1,0,0|1,0,0]=3 1714 B6R1.2 CC1=NCCN1 M158525 [1,0,0,1,0,0|2,0,0]=4 1715 B6R1.2 CC1=NCCO1 M158497 [1,0,0,1,0,0|1,0,1]=4 1716 B6R1.2 CC1=NCCS1 M103076 [1,0,0,1,0,0|1,1,0]=4 1717 B6R1.2 CC1CCCC1 M101586 [1,0,0,1,0,0|1,0,1]=4 1718 B6R1.2 CC1CCCC1 M101587 [1,0,0,1,0,0|1,0,1]=4 1719 B6R1.2 CC1CCCC1 M101588 [1,0,0,1,0,0|1,0,1]=4 1720 B6R1.2 CC1CCCN1 M121645 [1,0,0,1,0,0|1,0,1]=4 1721 B6R1.2 CC1CCCN1 M341863 [1,0,0,1,0,0|1,0,1]=4 1722 B6R1.2 CC1CCCN1 R173510 [1,0,0,1,0,0|1,0,1]=4 1723 B6R1.2 CC1CCCN1 S589595 [1,0,0,1,0,0|1,0,1]=4 1724 B6R1.2 CC1CCCO1 M106688 [1,0,0,1,0,0|0,0,2]=4 1725 B6R1.2 CC1CCCO1 M106689 [1,0,0,1,0,0|0,0,2]=4 1726 B6R1.2 CC1CCCO1 M119683 [1,0,0,1,0,0|0,0,2]=4 1727 B6R1.2 CC1CCCO1 M298963 [1,0,0,1,0,0|0,0,2]=4 1728 B6R1.2 CC1CCCS1 M138391 [1,0,0,1,0,0|0,1,1]=4 1729 B6R1.2 CN1CCCC1 M109523 [1,0,0,1,0,0|2,0,0]=4 1730 B6R1.3 CCCC1CO1 E156390 [1,0,0,1,0,0|0,0,2]=4 1731 B6R1.5 CC1CC(=O)O1 B152852 [1,0,0,1,0,0|0,0,0]=2 1732 B6R1.10 CC1(CCC1)N M174981 [1,0,0,1,0,0|1,0,1]=4 1733 B6R1.10 CC1(CCC1)O M491477 [1,0,0,1,0,0|0,0,2]=4 1734 B6R1.10 C[Si]1(CCC1)C D168803 [1,0,0,1,0,0|1,1,0]=4 1735 B6R1.10 C[Si]1(CCC1)Cl C168869 [1,0,0,1,0,0|1,1,0]=4 1736 B6R1.11 B(C1CC1)(O)O C120273 [1,0,0,1,0,0|1,0,1]=4 1737 B6R1.11 C1CC1C(=N)N C153636 [1,0,0,1,0,0|2,0,0]=4 1738 B6R1.11 C1CC1C(=O)Cl C133840 [1,0,0,1,0,0|1,0,0]=3 1739 B6R1.11 C1CC1C(=O)N C134392 [1,0,0,1,0,0|1,0,0]=3 1740 B6R1.11 C1CC1C(=O)O C106979 [1,0,0,1,0,0|0,0,0]=2 1741 B6R1.11 CC(=O)C1CC1 C108050 [1,0,0,1,0,0|0,0,0]=2 1742 B6R1.11 CC(C1CC1)N B300122 [1,0,0,1,0,0|1,0,1]=4 1743 B6R1.11 CC(C1CC1)N R587936 [1,0,0,1,0,0|1,0,1]=4 1744 B6R1.11 CC(C1CC1)N S175013 [1,0,0,1,0,0|1,0,1]=4 1745 B6R1.11 CC(C1CC1)O C153900 [1,0,0,1,0,0|0,0,2]=4 1746 B6R1.1 C1CC=COC1 D106433 [1,0,0,1,0,0|0,0,1]=3 1747 B6R1.1 C1CCC=CC1 C112737 [1,0,0,1,0,0|1,0,0]=3 1748 B6R1.1 C1CCC=CC1 C112738 [1,0,0,1,0,0|1,0,0]=3 1749 B6R1.1 C1CCC=CC1 C118621 [1,0,0,1,0,0|1,0,0]=3 1750 B6R1.1 C1CCCCC1 C100583 [1,0,0,1,0,0|1,0,1]=4 1751 B6R1.1 C1CCCCC1 C100584 [1,0,0,1,0,0|1,0,1]=4 1752 B6R1.1 C1CCCCC1 C100585 [1,0,0,1,0,0|1,0,1]=4 1753 B6R1.1 C1CCCCC1 C100586 [1,0,0,1,0,0|1,0,1]=4 1754 B6R1.1 C1CCCCC1 C100587 [1,0,0,1,0,0|1,0,1]=4 1755 B6R1.1 C1CCCCC1 C119462 [1,0,0,1,0,0|1,0,1]=4 1756 B6R1.1 C1CCCCC1 C305176 [1,0,0,1,0,0|1,0,1]=4 1757 B6R1.1 C1CCCCC1 C431457 [1,0,0,1,0,0|1,0,1]=4 1758 B6R1.1 C1CCNCC1 P194173 [1,0,0,1,0,0|1,0,1]=4 1759 B6R1.1 C1CCNCC1 P492785 [1,0,0,1,0,0|1,0,1]=4 1760 B6R1.1 C1CCOCC1 T100998 [1,0,0,1,0,0|0,0,1]=3 1761 B6R1.1 C1CCOCC1 T298966 [1,0,0,1,0,0|0,0,1]=3 1762 B6R1.1 C1CC[NH2+]CC1 P193473 [1,0,0,1,0,0|1,0,1]=4 1763 B6R1.1 C1CNC=NC1 T132007 [1,0,0,1,0,0|2,0,0]=4 1764 B6R1.1 C1CNCC=C1 T168116 [1,0,0,1,0,0|2,0,0]=4 1765 B6R1.1 C1COC=CO1 D138969 [1,0,0,1,0,0|1,0,1]=4 1766 B6R1.1 C1COCCN1 B135840 [1,0,0,1,0,0|1,0,1]=4 1767 B6R1.1 C1COCCN1 M109058 [1,0,0,1,0,0|1,0,1]=4 1768 B6R1.1 C1COCCN1 M109059 [1,0,0,1,0,0|1,0,1]=4 1769 B6R1.1 C1COCCN1 M109060 [1,0,0,1,0,0|1,0,1]=4 1770 B6R1.1 C1COCCN1 M109061 [1,0,0,1,0,0|1,0,1]=4 1771 B6R1.1 C1COCCN1 M109062 [1,0,0,1,0,0|1,0,1]=4 1772 B6R1.1 C1COCCN1 M109063 [1,0,0,1,0,0|1,0,1]=4 1773 B6R1.1 C1COCCN1 M404758 [1,0,0,1,0,0|1,0,1]=4 1774 B6R1.1 C1COCCN1 M405755 [1,0,0,1,0,0|1,0,1]=4 1775 B6R1.1 C1COCCN1 M493696 [1,0,0,1,0,0|1,0,1]=4 1776 B6R1.1 C1COCCN1 M493905 [1,0,0,1,0,0|1,0,1]=4 1777 B6R1.1 C1COCCO1 D116156 [1,0,0,1,0,0|1,0,1]=4 1778 B6R1.1 C1COCCO1 D116157 [1,0,0,1,0,0|1,0,1]=4 1779 B6R1.1 C1COCCO1 D116158 [1,0,0,1,0,0|1,0,1]=4 1780 B6R1.1 C1COCCO1 D116159 [1,0,0,1,0,0|1,0,1]=4 1781 B6R1.1 C1COCCO1 D116160 [1,0,0,1,0,0|1,0,1]=4 1782 B6R1.1 C1COCCO1 D116161 [1,0,0,1,0,0|1,0,1]=4 1783 B6R1.1 C1COCCO1 D116162 [1,0,0,1,0,0|1,0,1]=4 1784 B6R1.1 C1COCCO1 D116163 [1,0,0,1,0,0|1,0,1]=4 1785 B6R1.1 C1COCCO1 D118381 [1,0,0,1,0,0|1,0,1]=4 1786 B6R1.1 C1COCCO1 D431641 [1,0,0,1,0,0|1,0,1]=4 1787 B6R1.1 C1COCOC1 D155920 [1,0,0,1,0,0|1,0,1]=4 1788 B6R1.1 C1CSCCO1 T161635 [1,0,0,1,0,0|1,0,1]=4 1789 B6R1.6 C1C(CO1)CN A171234 [1,0,0,1,0,0|1,0,1]=4 1790 B6R1.6 C1C(CO1)CO O176971 [1,0,0,1,0,0|1,0,1]=4 1791 B6R1.6 CNC1COC1 N178478 [1,0,0,1,0,0|1,0,1]=4 1792 B6R1.6 COC1CNC1 M123270 [1,0,0,1,0,0|1,0,1]=4 1793 B8R1.1 C1C(OC(=O)N1)CCl C134365 [0,1,0,1,0,0|2,0,0]=4 1794 B8R1.1 C1C(OC(=O)O1)CO G156799 [0,1,0,1,0,0|1,0,0]=3 1795 B8R1.1 C1CC(=O)NC1CBr B102457 [0,1,0,1,0,0|2,0,0]=4 1796 B8R1.1 C1CC(=O)NC1CBr B102458 [0,1,0,1,0,0|2,0,0]=4 1797 B8R1.1 C1CC(=O)NC1CO H103185 [0,1,0,1,0,0|2,0,0]=4 1798 B8R1.1 C1CC(=O)NC1CO H103186 [0,1,0,1,0,0|2,0,0]=4 1799 B8R1.1 C=CC1COC(=O)O1 V107647 [0,1,0,1,0,0|0,0,2]=4 1800 B8R1.1 CCC1CCC(=O)O1 C111339 [0,1,0,1,0,0|1,0,0]=3 1801 B8R1.1 COC1=CC(=O)CC1 M170478 [0,1,0,1,0,0|1,0,1]=4 1802 B8R1.4 C1C(=O)OC(=O)CO1 D154432 [0,1,0,1,0,0|1,0,1]=4 1803 B8R1.4 C1C(=O)OC(=O)CS1 T136548 [0,1,0,1,0,0|1,0,1]=4 1804 B8R1.4 C1CC(=CC(=O)C1)N A136183 [0,1,0,1,0,0|1,0,1]=4 1805 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [0,1,0,1,0,0|1,0,1]=4 1806 B8R1.4 C1CC(=O)NC(=O)C1 G156850 [0,1,0,1,0,0|1,0,1]=4 1807 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [0,1,0,1,0,0|0,0,1]=3 1808 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [0,1,0,1,0,0|0,0,1]=3 1809 B8R1.4 C1CNC(=O)CC1=O P129071 [0,1,0,1,0,0|1,0,1]=4 1810 B8R1.4 C1CNC(=O)CC1N A174477 [0,1,0,1,0,0|1,0,0]=3 1811 B8R1.4 C1CNC(=O)CC1O H193522 [0,1,0,1,0,0|1,0,0]=3 1812 B8R1.4 CC1=CC(=O)CCC1 M104499 [0,1,0,1,0,0|1,0,0]=3 1813 B8R1.4 CC1=CC(CCC1)O M168575 [0,1,0,1,0,0|2,0,0]=4 1814 B8R1.4 CC1CC(=O)CCO1 M172463 [0,1,0,1,0,0|1,0,0]=3 1815 B8R1.4 CC1CCCC(=O)C1 M117710 [0,1,0,1,0,0|1,0,0]=3 1816 B8R1.4 CC1CCCC(=O)C1 R472235 [0,1,0,1,0,0|1,0,0]=3 1817 B8R1.4 CC1CCCC(=O)O1 D155361 [0,1,0,1,0,0|0,0,0]=2 1818 B8R1.4 CC1CCOS(=O)O1 M120341 [0,1,0,1,0,0|2,0,0]=4 1819 B8R1.4 CC1COCC(=O)N1 S586561 [0,1,0,1,0,0|1,0,0]=3 1820 B8R1.18 CC1=C(OC(=O)O1)C D134948 [0,1,0,1,0,0|1,0,1]=4 1821 B8R1.18 CC1=NN(C(=O)C1)C D105385 [0,1,0,1,0,0|1,0,1]=4 1822 B8R1.18 CC1C(=O)OC(=O)N1 S303088 [0,1,0,1,0,0|1,0,1]=4 1823 B8R1.18 CC1CC(=O)OC1=O M102626 [0,1,0,1,0,0|0,0,1]=3 1824 B8R1.40 C1CC1NC(=O)CCl C587871 [0,1,0,1,0,0|2,0,0]=4 1825 B8R1.51 CC1(CC(=O)C=C1)C D168778 [0,1,0,1,0,0|1,0,1]=4 1826 B8R1.51 CC1(CC(=O)NC1)C D194493 [0,1,0,1,0,0|1,0,0]=3 1827 B8R1.51 CC1(CCC(=O)C1)C D175598 [0,1,0,1,0,0|1,0,0]=3 1828 B8R1.51 CC1(CCC(=O)N1)C D193696 [0,1,0,1,0,0|2,0,0]=4 1829 B8R1.51 CC1(COC(=O)N1)C D135412 [0,1,0,1,0,0|1,0,0]=3 1830 B8R1.51 CC1=NC(CO1)(C)C T141476 [0,1,0,1,0,0|2,0,0]=4 1831 B8R1.51 CC1CCS(=O)(=O)C1 M158451 [0,1,0,1,0,0|2,0,0]=4 1832 B8R1.51 CC1COS(=O)(=O)O1 M158558 [0,1,0,1,0,0|2,0,0]=4 1833 B8R1.2 C#CC1=CCCCC1 E156239 [0,1,0,1,0,0|2,0,0]=4 1834 B8R1.2 C1CCC(=CC1)C#N C153472 [0,1,0,1,0,0|2,0,0]=4 1835 B8R1.2 C1CCC(=CC1)C=O C468613 [0,1,0,1,0,0|1,0,0]=3 1836 B8R1.2 C1CCC(=NO)CC1 C109682 [0,1,0,1,0,0|1,0,1]=4 1837 B8R1.2 C1CCC(CC1)C=O C109681 [0,1,0,1,0,0|1,0,1]=4 1838 B8R1.2 C1CCN(CC1)C=O F106773 [0,1,0,1,0,0|2,0,0]=4 1839 B8R1.2 C1CCOC(C1)CBr B169755 [0,1,0,1,0,0|1,0,1]=4 1840 B8R1.2 C1CCOC(C1)CO T161846 [0,1,0,1,0,0|0,0,2]=4 1841 B8R1.2 C1CCOC(C1)ON T102439 [0,1,0,1,0,0|0,0,2]=4 1842 B8R1.2 COC1CCCCC1 M158042 [0,1,0,1,0,0|1,0,1]=4 1843 B8R1.2 COC1CCCCO1 W196195 [0,1,0,1,0,0|0,0,2]=4 1844 B8R1.2 COC1CCNCC1 M176409 [0,1,0,1,0,0|1,0,1]=4 1845 B8R1.2 COC1CCNCC1 M176410 [0,1,0,1,0,0|1,0,1]=4 1846 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [0,1,0,1,0,0|1,0,1]=4 1847 B8R1.3 C1CC(=O)CCC1=O C110959 [0,1,0,1,0,0|1,0,1]=4 1848 B8R1.3 C1CC(=O)CCC1N A194532 [0,1,0,1,0,0|1,0,0]=3 1849 B8R1.3 C1CC(=O)CCC1O H190648 [0,1,0,1,0,0|1,0,0]=3 1850 B8R1.3 C1CC(=O)NCC1O H191838 [0,1,0,1,0,0|1,0,0]=3 1851 B8R1.3 CC1=NNC(=O)CC1 D135167 [0,1,0,1,0,0|2,0,0]=4 1852 B8R1.3 CC1CCC(=O)CC1 M106719 [0,1,0,1,0,0|1,0,0]=3 1853 B8R1.3 CC1CCC(=O)CC1 M113653 [0,1,0,1,0,0|1,0,0]=3 1854 B8R1.3 CN1CCC(=O)CC1 N138232 [0,1,0,1,0,0|1,0,0]=3 1855 B8R1.5 C1CC(C(=O)NC1)Br B588801 [0,1,0,1,0,0|1,0,0]=3 1856 B8R1.5 C1CC(C(=O)NC1)N A121540 [0,1,0,1,0,0|1,0,0]=3 1857 B8R1.5 C1CC(C(=O)NC1)N A121541 [0,1,0,1,0,0|1,0,0]=3 1858 B8R1.5 C1CC(C(=O)NC1)N A181382 [0,1,0,1,0,0|1,0,0]=3 1859 B8R1.5 C1CC(C(=O)NC1)N I170302 [0,1,0,1,0,0|1,0,0]=3 1860 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,1,0,1,0,0|1,0,0]=3 1861 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,1,0,1,0,0|1,0,0]=3 1862 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,1,0,1,0,0|1,0,0]=3 1863 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,1,0,1,0,0|1,0,0]=3 1864 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,1,0,1,0,0|1,0,0]=3 1865 B8R1.5 C1COCC(C1=O)F F176973 [0,1,0,1,0,0|2,0,0]=4 1866 B8R1.5 CC1=NCCCN1C D184491 [0,1,0,1,0,0|2,0,0]=4 1867 B8R1.5 CC1C(=O)NCCN1 M168916 [0,1,0,1,0,0|2,0,0]=4 1868 B8R1.5 CC1C(=O)NCCN1 R195856 [0,1,0,1,0,0|2,0,0]=4 1869 B8R1.5 CC1CCCCC1=O M100791 [0,1,0,1,0,0|1,0,0]=3 1870 B8R1.5 CC1CNCCC1=O M589544 [0,1,0,1,0,0|1,0,0]=3 1871 B8R1.5 CN1CCCCC1=O N335945 [0,1,0,1,0,0|1,0,0]=3 1872 B8R1.5 CN1CCCNC1=O M493197 [0,1,0,1,0,0|1,0,0]=3 1873 B8R1.22 C1CC(=O)CCNC1 H121983 [0,1,0,1,0,0|1,0,0]=3 1874 B8R1.22 C1CCC(=O)C=CC1 C138031 [0,1,0,1,0,0|1,0,0]=3 1875 B8R1.22 C1CCC(=O)NCC1 C111698 [0,1,0,1,0,0|1,0,0]=3 1876 B8R1.22 C1CCC(=O)NCC1 C111700 [0,1,0,1,0,0|1,0,0]=3 1877 B8R1.22 C1CCC(=O)OCC1 C109521 [0,1,0,1,0,0|0,0,0]=2 1878 B8R1.22 C1CCC(=O)OCC1 C398060 [0,1,0,1,0,0|0,0,0]=2 1879 B8R1.22 C1CCC(=O)OCC1 P299385 [0,1,0,1,0,0|0,0,0]=2 1880 B8R1.22 C1CCC(=O)OCC1 P398622 [0,1,0,1,0,0|0,0,0]=2 1881 B8R1.22 C1CCC(=O)OCC1 P478241 [0,1,0,1,0,0|0,0,0]=2 1882 B8R1.22 C1CCC(=O)OCC1 P485972 [0,1,0,1,0,0|0,0,0]=2 1883 B8R1.22 C1CCC(=O)OCC1 P579406 [0,1,0,1,0,0|0,0,0]=2 1884 B8R1.22 C1CCC(=S)NCC1 T140461 [0,1,0,1,0,0|1,1,0]=4 1885 B8R1.22 C1CCCC(=O)CC1 C111127 [0,1,0,1,0,0|1,0,0]=3 1886 B8R1.22 C1COCCNC1=O O189427 [0,1,0,1,0,0|1,0,0]=3 1887 B8R1.22 C=C1OCCCCO1 M194650 [0,1,0,1,0,0|1,0,0]=3 1888 B8R1.38 C1CC(C1)C(=O)NN C348580 [0,1,0,1,0,0|2,0,0]=4 1889 B8R1.38 COC(=O)C1CNC1 A132584 [0,1,0,1,0,0|0,0,0]=2 1890 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [0,1,0,1,0,0|1,0,0]=3 1891 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [0,1,0,1,0,0|2,0,0]=4 1892 B8R1.50 CC1=C(C(=O)CC1)O H139285 [0,1,0,1,0,0|2,0,0]=4 1893 B8R1.50 CC1C(=O)CCC1=O M136868 [0,1,0,1,0,0|1,0,1]=4 1894 B8R1.50 CC1CCC(=O)C1=O M109224 [0,1,0,1,0,0|1,0,1]=4 1895 B8R1.50 CC1CCC(=O)N1C D467310 [0,1,0,1,0,0|1,0,0]=3 1896 B8R1.50 CN1C(=O)CCC1=O N159128 [0,1,0,1,0,0|1,0,1]=4 1897 B8R1.50 CN1C(CCC1=O)O H351403 [0,1,0,1,0,0|1,0,0]=3 1898 B8R1.50 CN1CCN(C1=O)C D109179 [0,1,0,1,0,0|2,0,0]=4 1899 B8R1.50 CN1CCN(C1=O)C D109180 [0,1,0,1,0,0|2,0,0]=4 1900 B8R1.50 CN1CCN(C1=O)C D131598 [0,1,0,1,0,0|2,0,0]=4 1901 B8R1.19 CC1(CCCC1=O)C D131503 [0,1,0,1,0,0|1,0,0]=3 1902 B8R1.19 CC1(CCOC1=O)C A151224 [0,1,0,1,0,0|2,0,0]=4 1903 B8R1.37 C1CC1C(=O)CC#N C586516 [0,1,0,1,0,0|1,0,1]=4 1904 B8R1.37 CCOC(=O)C1CC1 E156138 [0,1,0,1,0,0|0,0,0]=2 1905 B8R1.37 CCOC(=O)C1CO1 E138878 [0,1,0,1,0,0|1,0,0]=3 1906 B8R1.8 CCCC1=CC=CO1 P160277 [0,1,0,1,0,0|1,0,1]=4 1907 B8R1.8 CCCC1=NCCN1 P302987 [0,1,0,1,0,0|2,0,0]=4 1908 B8R1.8 CCCC1=NCCO1 P160311 [0,1,0,1,0,0|1,0,0]=3 1909 B8R1.8 COCC1CCCN1 M121135 [0,1,0,1,0,0|1,0,1]=4 1910 B8R1.8 COCC1CCCN1 M121139 [0,1,0,1,0,0|1,0,1]=4 1911 B8R1.11 C1CC(C(=O)C1)C#N C183485 [0,1,0,1,0,0|1,0,1]=4 1912 B8R1.11 C=CN1CCCC1=O P101410 [0,1,0,1,0,0|1,0,1]=4 1913 B8R1.11 C=CN1CCCC1=O P109104 [0,1,0,1,0,0|1,0,1]=4 1914 B8R1.11 C=CN1CCCC1=O P110567 [0,1,0,1,0,0|1,0,1]=4 1915 B8R1.11 C=CN1CCCC1=O P110607 [0,1,0,1,0,0|1,0,1]=4 1916 B8R1.11 C=CN1CCCC1=O P110608 [0,1,0,1,0,0|1,0,1]=4 1917 B8R1.11 C=CN1CCCC1=O P110609 [0,1,0,1,0,0|1,0,1]=4 1918 B8R1.11 C=CN1CCCC1=O P110610 [0,1,0,1,0,0|1,0,1]=4 1919 B8R1.11 C=CN1CCCC1=O P110611 [0,1,0,1,0,0|1,0,1]=4 1920 B8R1.11 C=CN1CCCC1=O P274371 [0,1,0,1,0,0|1,0,1]=4 1921 B8R1.11 C=CN1CCCC1=O P422896 [0,1,0,1,0,0|1,0,1]=4 1922 B8R1.11 C=CN1CCCC1=O P434439 [0,1,0,1,0,0|1,0,1]=4 1923 B8R1.11 C=CN1CCCC1=O P434440 [0,1,0,1,0,0|1,0,1]=4 1924 B8R1.11 C=CN1CCCC1=O P434441 [0,1,0,1,0,0|1,0,1]=4 1925 B8R1.11 C=CN1CCCC1=O P434442 [0,1,0,1,0,0|1,0,1]=4 1926 B8R1.11 C=CN1CCCC1=O P434443 [0,1,0,1,0,0|1,0,1]=4 1927 B8R1.11 C=CN1CCCC1=O P434444 [0,1,0,1,0,0|1,0,1]=4 1928 B8R1.11 C=CN1CCCC1=O R615356 [0,1,0,1,0,0|1,0,1]=4 1929 B8R1.11 C=CN1CCCC1=O V106155 [0,1,0,1,0,0|1,0,1]=4 1930 B8R1.11 CCN1CCCC1=O E101635 [0,1,0,1,0,0|1,0,0]=3 1931 B8R1.39 COC(=O)C1(CC1)N A135277 [0,1,0,1,0,0|0,0,0]=2 1932 B8R1.72 C1CCS(=O)(=O)NC1 B184097 [0,1,0,1,0,0|2,0,0]=4 1933 B8R1.72 C1CCS(=O)(=O)OC1 B152091 [0,1,0,1,0,0|1,0,0]=3 1934 B8R1.72 C1COS(=O)(=O)OC1 P120337 [0,1,0,1,0,0|2,0,0]=4 1935 B8R2.2 CC12CCCC1O2 M299636 [0,0,0,2,0,0|1,0,1]=4