0 B6R0.4 B(CCCC)(O)O B101013 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C#CCCC(=O)O P133515 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.4 C#CCNC(=O)N P160546 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 C#CCOC(=O)Cl P468141 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 C(C(=O)O)N=[N+]=[N-] A168121 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.4 C(C(=O)O)NC=O N159822 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.4 C(C=CC(=O)O)Br B152770 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.4 C(C=CC(=O)O)O T341890 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.4 C(CC(=O)Cl)CBr B102197 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.4 C(CC(=O)Cl)CCl C109449 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.4 C(CC(=O)N)CCl C168978 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.4 C(CC(=O)O)C#N C191241 [0,0,0,0,0,0|0,0,2]=2 12 B6R0.4 C(CC(=O)O)CBr B106907 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.4 C(CC(=O)O)CCl C134513 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.4 C(CC(=O)O)CN A104200 [0,0,0,0,0,0|0,0,0]=0 15 B6R0.4 C(CC(=O)O)CN A293557 [0,0,0,0,0,0|0,0,0]=0 16 B6R0.4 C(CC(=O)O)CN A424756 [0,0,0,0,0,0|0,0,0]=0 17 B6R0.4 C(CC(=O)O)CN A468499 [0,0,0,0,0,0|0,0,0]=0 18 B6R0.4 C(CC(=O)O)CN A472038 [0,0,0,0,0,0|0,0,0]=0 19 B6R0.4 C(CC(=O)O)CN G276591 [0,0,0,0,0,0|0,0,0]=0 20 B6R0.4 C(CCl)NC(=O)N C153501 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 C(CCl)OC(=O)Cl C136442 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.4 C(CN)C[P+](=O)O A275461 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.4 C(CO)NC(=O)N H136122 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.4 C(CSC(=N)N)N S161207 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.4 C(C[N+](=O)[O-])CO N164462 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.4 C=CCCC(=O)Cl P278805 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.4 C=CCCC(=O)O P160582 [0,0,0,0,0,0|1,0,1]=2 28 B6R0.4 C=CCNC(=O)N A151231 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.4 C=CCOC(=O)N A467193 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.4 CC(=CCCBr)C B470663 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.4 CC(=O)CCC=C H113634 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.4 CC(=O)CCCBr B345087 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.4 CC(=O)CCCCl C108070 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.4 CC(=O)CCSC M135087 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.4 CC(=O)NCC#N I170553 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.4 CC(=O)NCCN A117219 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.4 CC(=O)NCCO A112970 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.4 CC(=O)NCCO A112971 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.4 CC(=O)NCCS N347842 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.4 CC(=O)OCC#C P304196 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.4 CC(=O)OCC=C A107305 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.4 CC(=O)OCCBr B102635 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.4 CC(=O)OCCCl A140396 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.4 CC(=O)OCCN A588049 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.4 CC(=O)OCCO H156959 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.4 CC(=O)SCCN T340735 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.4 CC(C)CCCBr B152440 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.4 CC(C)CCCO I136441 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.4 CC(C)NCCN N159348 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.4 CC(CCCBr)Br D155307 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.4 CC(CCCO)O P171240 [0,0,0,0,0,0|2,0,1]=3 52 B6R0.4 CC=CCC(=O)O P165142 [0,0,0,0,0,0|1,0,2]=3 53 B6R0.4 CCC#CC(=O)O P137286 [0,0,0,0,0,0|1,0,2]=3 54 B6R0.4 CCC=CC(=O)O T162309 [0,0,0,0,0,0|1,0,2]=3 55 B6R0.4 CCCCC(=N)N D305243 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.4 CCCCC(=O)Br V162931 [0,0,0,0,0,0|2,0,0]=2 57 B6R0.4 CCCCC(=O)C H105743 [0,0,0,0,0,0|2,0,0]=2 58 B6R0.4 CCCCC(=O)C H105744 [0,0,0,0,0,0|2,0,0]=2 59 B6R0.4 CCCCC(=O)C H111491 [0,0,0,0,0,0|2,0,0]=2 60 B6R0.4 CCCCC(=O)C H141140 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.4 CCCCC(=O)Cl V107241 [0,0,0,0,0,0|2,0,0]=2 62 B6R0.4 CCCCC(=O)N V162967 [0,0,0,0,0,0|2,0,0]=2 63 B6R0.4 CCCCC(=O)O V108269 [0,0,0,0,0,0|1,0,0]=1 64 B6R0.4 CCCCC(=O)O V108270 [0,0,0,0,0,0|1,0,0]=1 65 B6R0.4 CCCCC(=O)O V108271 [0,0,0,0,0,0|1,0,0]=1 66 B6R0.4 CCCCC(=O)O V108272 [0,0,0,0,0,0|1,0,0]=1 67 B6R0.4 CCCCC(=O)O V302252 [0,0,0,0,0,0|1,0,0]=1 68 B6R0.4 CCCCC(=O)[O-] S194180 [0,0,0,0,0,0|1,0,1]=2 69 B6R0.4 CCCCC(C)C M158516 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.4 CCCCC(C)Cl C153661 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.4 CCCCC(C)N B301374 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.4 CCCCC(C)O H105565 [0,0,0,0,0,0|2,0,1]=3 73 B6R0.4 CCCCC(C)O I170762 [0,0,0,0,0,0|2,0,1]=3 74 B6R0.4 CCCCC(C)O R588494 [0,0,0,0,0,0|2,0,1]=3 75 B6R0.4 CCCCN(C)C D108036 [0,0,0,0,0,0|4,0,0]=4 76 B6R0.4 CCCC[N+](=O)[O-] N300420 [0,0,0,0,0,0|2,0,1]=3 77 B6R0.4 CCCC[Sn](=O)O M107696 [0,0,0,0,0,0|2,0,0]=2 78 B6R0.4 CCCNC(=O)N P589707 [0,0,0,0,0,0|3,0,0]=3 79 B6R0.4 CCCNC(=S)N P356262 [0,0,0,0,0,0|3,1,0]=4 80 B6R0.4 CCCOC(=O)C P103882 [0,0,0,0,0,0|3,0,0]=3 81 B6R0.4 CCCOC(=O)C P103883 [0,0,0,0,0,0|3,0,0]=3 82 B6R0.4 CCCOC(=O)N P194271 [0,0,0,0,0,0|3,0,0]=3 83 B6R0.4 CCCSC(=O)C S161333 [0,0,0,0,0,0|3,0,0]=3 84 B6R0.4 CCNCC(=O)O N159193 [0,0,0,0,0,0|2,0,0]=2 85 B6R0.4 CCOCC(=O)Cl E293992 [0,0,0,0,0,0|3,0,0]=3 86 B6R0.4 CCOCC(=O)O E156174 [0,0,0,0,0,0|2,0,0]=2 87 B6R0.4 CCOCC(C)O E110143 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.4 CCSCC(=O)O E300419 [0,0,0,0,0,0|2,0,0]=2 89 B6R0.4 CN(C)CCCBr B194072 [0,0,0,0,0,0|4,0,0]=4 90 B6R0.4 CN(C)CCCCl C353600 [0,0,0,0,0,0|4,0,0]=4 91 B6R0.4 CN(C)CCCCl D154697 [0,0,0,0,0,0|4,0,0]=4 92 B6R0.4 CN(C)CCCN D110909 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.4 CN(C)CCCN N493682 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.4 CN(C)CCCN N494190 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.4 CN(C)CCCO D106344 [0,0,0,0,0,0|4,0,0]=4 96 B6R0.4 CNCCC(=O)O M183299 [0,0,0,0,0,0|2,0,0]=2 97 B6R0.4 COCCC(=O)O M169065 [0,0,0,0,0,0|2,0,0]=2 98 B6R0.4 CSCCC(=O)Cl M158416 [0,0,0,0,0,0|3,0,0]=3 99 B6R0.4 CSCCC(=O)O M158072 [0,0,0,0,0,0|2,0,0]=2 100 B5R0.1 B(CCC)(O)O P120303 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.1 C#CCC(=O)O B168856 [1,0,0,0,0,0|0,0,2]=3 102 B5R0.1 C(C#N)C(=O)N C101310 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.1 C(C#N)C(=O)O C105698 [1,0,0,0,0,0|0,0,2]=3 104 B5R0.1 C(C#N)C(=O)[O-] S586305 [1,0,0,0,0,0|0,0,3]=4 105 B5R0.1 C(C(=O)O)ON C109697 [1,0,0,0,0,0|1,0,0]=2 106 B5R0.1 C(CBr)C(=O)Cl B135557 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.1 C(CBr)C(=O)N B152335 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 C(CBr)C(=O)O B106081 [1,0,0,0,0,0|1,0,0]=2 109 B5R0.1 C(CCl)C(=O)Cl C109466 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 C(CCl)C(=O)N C171099 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.1 C(CCl)C(=O)O C106515 [1,0,0,0,0,0|1,0,0]=2 112 B5R0.1 C(CI)C(=O)O I157542 [1,0,0,0,0,0|1,0,0]=2 113 B5R0.1 C(CN)C(=O)N B135870 [1,0,0,0,0,0|1,0,0]=2 114 B5R0.1 C(CN)C(=O)O A105703 [1,0,0,0,0,0|0,0,0]=1 115 B5R0.1 C(CN)C(=O)O A137901 [1,0,0,0,0,0|0,0,0]=1 116 B5R0.1 C(CN)C(=O)O A494514 [1,0,0,0,0,0|0,0,0]=1 117 B5R0.1 C(CO)C(=O)O H136635 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.1 C(CO)[N+](=O)[O-] N110256 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 C(CS(=O)O)N H303371 [1,0,0,0,0,0|1,0,0]=2 120 B5R0.1 C(CS)C(=O)O M103035 [1,0,0,0,0,0|1,0,0]=2 121 B5R0.1 C(CS)C(=O)O M103036 [1,0,0,0,0,0|1,0,0]=2 122 B5R0.1 C(CS)C(=O)O M590994 [1,0,0,0,0,0|1,0,0]=2 123 B5R0.1 C(OC(=O)Cl)Cl C153890 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.1 C=CCC(=O)O B152769 [1,0,0,0,0,0|0,0,2]=3 125 B5R0.1 C=CCC(=O)O B152771 [1,0,0,0,0,0|0,0,2]=3 126 B5R0.1 CC#CC(=O)O B113384 [1,0,0,0,0,0|0,0,2]=3 127 B5R0.1 CC(=C)CCO M158231 [1,0,0,0,0,0|3,0,0]=4 128 B5R0.1 CC(=O)CCO H106330 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.1 CC(=O)COC M158844 [1,0,0,0,0,0|2,0,0]=3 130 B5R0.1 CC(=O)NCO A151630 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.1 CC(=O)OCBr B122544 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.1 CC(=O)OCCl C194261 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.1 CC(C)CCN I109581 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.1 CC(C)CCN I404590 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.1 CC(CCBr)O B589640 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.1 CC(CCO)O B111016 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 CC(CCO)O B111017 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.1 CC(CCO)O B111018 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.1 CC(CCO)O B119672 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 CC(CCO)O R160960 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.1 CC(CCO)O S138551 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.1 CC(CNC)O M587581 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.1 CC(COC)O M105264 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 CC(COC)O M105265 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.1 CC(COC)O M105266 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.1 CC(COC)O M299436 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.1 CC(COC)O R160841 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.1 CC(COC)O S161357 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.1 CC=CC(=O)C P139100 [1,0,0,0,0,0|1,0,2]=4 150 B5R0.1 CC=CC(=O)Cl C102055 [1,0,0,0,0,0|1,0,2]=4 151 B5R0.1 CC=CC(=O)Cl C153881 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.1 CC=CC(=O)N C153720 [1,0,0,0,0,0|1,0,2]=4 153 B5R0.1 CC=CC(=O)O C104149 [1,0,0,0,0,0|0,0,2]=3 154 B5R0.1 CC=CC(=O)O C104150 [1,0,0,0,0,0|0,0,2]=3 155 B5R0.1 CCC=C(C)C M158233 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.1 CCCC(=C)C M158211 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.1 CCCC(=O)C P103780 [1,0,0,0,0,0|1,0,0]=2 158 B5R0.1 CCCC(=O)C P103781 [1,0,0,0,0,0|1,0,0]=2 159 B5R0.1 CCCC(=O)C P103782 [1,0,0,0,0,0|1,0,0]=2 160 B5R0.1 CCCC(=O)C P103783 [1,0,0,0,0,0|1,0,0]=2 161 B5R0.1 CCCC(=O)Cl B108666 [1,0,0,0,0,0|1,0,0]=2 162 B5R0.1 CCCC(=O)N B152329 [1,0,0,0,0,0|1,0,0]=2 163 B5R0.1 CCCC(=O)O B110438 [1,0,0,0,0,0|0,0,0]=1 164 B5R0.1 CCCC(=O)O B110439 [1,0,0,0,0,0|0,0,0]=1 165 B5R0.1 CCCC(=O)O B110440 [1,0,0,0,0,0|0,0,0]=1 166 B5R0.1 CCCC(=O)O B110442 [1,0,0,0,0,0|0,0,0]=1 167 B5R0.1 CCCC(=O)O B274612 [1,0,0,0,0,0|0,0,0]=1 168 B5R0.1 CCCC(=O)O B431361 [1,0,0,0,0,0|0,0,0]=1 169 B5R0.1 CCCC(=O)[O-] S102954 [1,0,0,0,0,0|0,0,1]=2 170 B5R0.1 CCCC(=O)[O-] S102956 [1,0,0,0,0,0|0,0,1]=2 171 B5R0.1 CCCC(=O)[O-] S346178 [1,0,0,0,0,0|0,0,1]=2 172 B5R0.1 CCCC(=O)[O-] S421873 [1,0,0,0,0,0|0,0,1]=2 173 B5R0.1 CCCC(C)Br B400517 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.1 CCCC(C)C I157548 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.1 CCCC(C)C M105775 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.1 CCCC(C)C M105776 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.1 CCCC(C)C M105777 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.1 CCCC(C)C M105778 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.1 CCCC(C)C M137744 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 CCCC(C)Cl C467357 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.1 CCCC(C)N A151353 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.1 CCCC(C)O P103442 [1,0,0,0,0,0|1,0,1]=3 183 B5R0.1 CCCC(C)O P103443 [1,0,0,0,0,0|1,0,1]=3 184 B5R0.1 CCCC(C)O R138651 [1,0,0,0,0,0|1,0,1]=3 185 B5R0.1 CCCC(C)O S138580 [1,0,0,0,0,0|1,0,1]=3 186 B5R0.1 CCCN(C)C N404354 [1,0,0,0,0,0|3,0,0]=4 187 B5R0.1 CCC[N+](=O)[O-] N109053 [1,0,0,0,0,0|1,0,1]=3 188 B5R0.1 CCNC(=O)C I135660 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.1 CCNC(=O)N E105944 [1,0,0,0,0,0|2,0,0]=3 190 B5R0.1 CCNC(=S)N E346726 [1,0,0,0,0,0|2,1,0]=4 191 B5R0.1 CCOC(=N)C E132730 [1,0,0,0,0,0|3,0,0]=4 192 B5R0.1 CCOC(=N)N O183619 [1,0,0,0,0,0|3,0,0]=4 193 B5R0.1 CCOC(=O)C E116131 [1,0,0,0,0,0|2,0,0]=3 194 B5R0.1 CCOC(=O)C E116132 [1,0,0,0,0,0|2,0,0]=3 195 B5R0.1 CCOC(=O)C E116133 [1,0,0,0,0,0|2,0,0]=3 196 B5R0.1 CCOC(=O)C E116134 [1,0,0,0,0,0|2,0,0]=3 197 B5R0.1 CCOC(=O)C E116135 [1,0,0,0,0,0|2,0,0]=3 198 B5R0.1 CCOC(=O)C E116136 [1,0,0,0,0,0|2,0,0]=3 199 B5R0.1 CCOC(=O)C E116137 [1,0,0,0,0,0|2,0,0]=3 200 B5R0.1 CCOC(=O)C E116138 [1,0,0,0,0,0|2,0,0]=3 201 B5R0.1 CCOC(=O)C E116139 [1,0,0,0,0,0|2,0,0]=3 202 B5R0.1 CCOC(=O)C E116141 [1,0,0,0,0,0|2,0,0]=3 203 B5R0.1 CCOC(=O)C E116142 [1,0,0,0,0,0|2,0,0]=3 204 B5R0.1 CCOC(=O)C E119698 [1,0,0,0,0,0|2,0,0]=3 205 B5R0.1 CCOC(=O)C E141165 [1,0,0,0,0,0|2,0,0]=3 206 B5R0.1 CCOC(=O)C E302266 [1,0,0,0,0,0|2,0,0]=3 207 B5R0.1 CCOC(=O)C E432070 [1,0,0,0,0,0|2,0,0]=3 208 B5R0.1 CCOC(=O)N C266075 [1,0,0,0,0,0|2,0,0]=3 209 B5R0.1 CCOC(=O)N E424443 [1,0,0,0,0,0|2,0,0]=3 210 B5R0.1 CCOC(=O)N U108629 [1,0,0,0,0,0|2,0,0]=3 211 B5R0.1 CCOC(=O)N U299635 [1,0,0,0,0,0|2,0,0]=3 212 B5R0.1 CCOC(=S)[S-] P110999 [1,0,0,0,0,0|1,2,0]=4 213 B5R0.1 CCOC(=S)[S-] P111000 [1,0,0,0,0,0|1,2,0]=4 214 B5R0.1 CCOC(=S)[S-] S161075 [1,0,0,0,0,0|1,2,0]=4 215 B5R0.1 CCOC(=S)[S-] S298709 [1,0,0,0,0,0|1,2,0]=4 216 B5R0.1 CCO[Si](=O)O E302202 [1,0,0,0,0,0|1,1,0]=3 217 B5R0.1 CCSC(=N)N S161123 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.1 CCSC(=O)C E107950 [1,0,0,0,0,0|2,0,0]=3 219 B5R0.1 CCSC(=S)C E338928 [1,0,0,0,0,0|2,1,0]=4 220 B5R0.1 CN(C)CCN D105347 [1,0,0,0,0,0|3,0,0]=4 221 B5R0.1 CN(C)CCN N404297 [1,0,0,0,0,0|3,0,0]=4 222 B5R0.1 CN(C)CCN N404298 [1,0,0,0,0,0|3,0,0]=4 223 B5R0.1 CNCC(=O)N S115899 [1,0,0,0,0,0|2,0,0]=3 224 B5R0.1 CNCC(=O)O S102891 [1,0,0,0,0,0|1,0,0]=2 225 B5R0.1 CNCC(=O)O S113893 [1,0,0,0,0,0|1,0,0]=2 226 B5R0.1 CNCC(=O)O S420541 [1,0,0,0,0,0|1,0,0]=2 227 B5R0.1 CNCC(=O)[O-] S189142 [1,0,0,0,0,0|1,0,1]=3 228 B5R0.1 COCC(=O)Cl M124203 [1,0,0,0,0,0|2,0,0]=3 229 B5R0.1 COCC(=O)O M158057 [1,0,0,0,0,0|1,0,0]=2 230 B5R0.1 CSCC(=O)N M158330 [1,0,0,0,0,0|2,0,0]=3 231 B5R0.1 CSCC(=O)O M168970 [1,0,0,0,0,0|1,0,0]=2 232 B5R0.1 CSCS(=O)C M158415 [1,0,0,0,0,0|3,0,0]=4 233 B5R0.2 C#CCCCCl C107731 [1,0,0,0,0,0|2,0,1]=4 234 B5R0.2 C#CCCCI I465322 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.2 C#CCCCO P106295 [1,0,0,0,0,0|1,0,2]=4 236 B5R0.2 C(C#N)OC=O C153899 [1,0,0,0,0,0|1,0,2]=4 237 B5R0.2 C(CBr)N=C=O B463144 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.2 C(CC#N)CBr B152157 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.2 C(CC#N)CCl C102368 [1,0,0,0,0,0|2,0,1]=4 240 B5R0.2 C(CCBr)CBr D105749 [1,0,0,0,0,0|2,0,1]=4 241 B5R0.2 C(CCBr)CCl B109690 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.2 C(CCBr)CF B122542 [1,0,0,0,0,0|2,0,1]=4 243 B5R0.2 C(CCBr)CN B163034 [1,0,0,0,0,0|1,0,1]=3 244 B5R0.2 C(CCBr)CO B136242 [1,0,0,0,0,0|1,0,1]=3 245 B5R0.2 C(CCCl)CCl D103409 [1,0,0,0,0,0|2,0,1]=4 246 B5R0.2 C(CCCl)CO C118833 [1,0,0,0,0,0|1,0,1]=3 247 B5R0.2 C(CCI)CCl C153542 [1,0,0,0,0,0|2,0,1]=4 248 B5R0.2 C(CCI)CI D155304 [1,0,0,0,0,0|2,0,1]=4 249 B5R0.2 C(CCN)CN B292804 [1,0,0,0,0,0|1,0,1]=3 250 B5R0.2 C(CCN)CN B304967 [1,0,0,0,0,0|1,0,1]=3 251 B5R0.2 C(CCN)CN B492953 [1,0,0,0,0,0|1,0,1]=3 252 B5R0.2 C(CCN)CN D106194 [1,0,0,0,0,0|1,0,1]=3 253 B5R0.2 C(CCN)CN D423441 [1,0,0,0,0,0|1,0,1]=3 254 B5R0.2 C(CCN)CN D472054 [1,0,0,0,0,0|1,0,1]=3 255 B5R0.2 C(CCO)CN A109739 [1,0,0,0,0,0|0,0,1]=2 256 B5R0.2 C(CCO)CO B110391 [1,0,0,0,0,0|1,0,1]=3 257 B5R0.2 C(CCO)CO B110394 [1,0,0,0,0,0|1,0,1]=3 258 B5R0.2 C(CCO)CO B110395 [1,0,0,0,0,0|1,0,1]=3 259 B5R0.2 C(CCS)CO M338696 [1,0,0,0,0,0|1,0,1]=3 260 B5R0.2 C(CCS)CS B152757 [1,0,0,0,0,0|1,1,1]=4 261 B5R0.2 C(CCS)CS B419814 [1,0,0,0,0,0|1,1,1]=4 262 B5R0.2 C(CCl)N=C=O C106493 [1,0,0,0,0,0|2,0,1]=4 263 B5R0.2 C=CCCC#N P160479 [1,0,0,0,0,0|1,0,2]=4 264 B5R0.2 C=CCCC=C C118545 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.2 C=CCCC=C H106694 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.2 C=CCCCBr B107734 [1,0,0,0,0,0|2,0,0]=3 267 B5R0.2 C=CCCCO P103073 [1,0,0,0,0,0|2,0,0]=3 268 B5R0.2 C=COCCO E135293 [1,0,0,0,0,0|3,0,0]=4 269 B5R0.2 CCC=CC=O T161487 [1,0,0,0,0,0|1,0,2]=4 270 B5R0.2 CCCC=CC C153486 [1,0,0,0,0,0|2,0,1]=4 271 B5R0.2 CCCC=CC H157262 [1,0,0,0,0,0|2,0,1]=4 272 B5R0.2 CCCC=CC T162371 [1,0,0,0,0,0|2,0,1]=4 273 B5R0.2 CCCC=NO B152406 [1,0,0,0,0,0|2,0,1]=4 274 B5R0.2 CCCCC#C H106703 [1,0,0,0,0,0|2,0,1]=4 275 B5R0.2 CCCCC#N B100431 [1,0,0,0,0,0|2,0,1]=4 276 B5R0.2 CCCCC#N B100432 [1,0,0,0,0,0|2,0,1]=4 277 B5R0.2 CCCCC=C H109530 [1,0,0,0,0,0|2,0,0]=3 278 B5R0.2 CCCCC=C H109531 [1,0,0,0,0,0|2,0,0]=3 279 B5R0.2 CCCCC=C H109532 [1,0,0,0,0,0|2,0,0]=3 280 B5R0.2 CCCCC=C H109533 [1,0,0,0,0,0|2,0,0]=3 281 B5R0.2 CCCCC=O V103717 [1,0,0,0,0,0|1,0,0]=2 282 B5R0.2 CCCCCBr B104782 [1,0,0,0,0,0|2,0,1]=4 283 B5R0.2 CCCCCBr B305762 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.2 CCCCCC H100107 [1,0,0,0,0,0|2,0,1]=4 285 B5R0.2 CCCCCC H109653 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.2 CCCCCC H109654 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.2 CCCCCC H109656 [1,0,0,0,0,0|2,0,1]=4 288 B5R0.2 CCCCCC H109659 [1,0,0,0,0,0|2,0,1]=4 289 B5R0.2 CCCCCC H119662 [1,0,0,0,0,0|2,0,1]=4 290 B5R0.2 CCCCCC H121283 [1,0,0,0,0,0|2,0,1]=4 291 B5R0.2 CCCCCC H140380 [1,0,0,0,0,0|2,0,1]=4 292 B5R0.2 CCCCCC H298923 [1,0,0,0,0,0|2,0,1]=4 293 B5R0.2 CCCCCC N431441 [1,0,0,0,0,0|2,0,1]=4 294 B5R0.2 CCCCCCl C109473 [1,0,0,0,0,0|2,0,1]=4 295 B5R0.2 CCCCCCl C109474 [1,0,0,0,0,0|2,0,1]=4 296 B5R0.2 CCCCCF F171115 [1,0,0,0,0,0|2,0,1]=4 297 B5R0.2 CCCCCI I104798 [1,0,0,0,0,0|2,0,1]=4 298 B5R0.2 CCCCCN A105343 [1,0,0,0,0,0|1,0,1]=3 299 B5R0.2 CCCCCN P292685 [1,0,0,0,0,0|1,0,1]=3 300 B5R0.2 CCCCCN P292697 [1,0,0,0,0,0|1,0,1]=3 301 B5R0.2 CCCCCN P292701 [1,0,0,0,0,0|1,0,1]=3 302 B5R0.2 CCCCCN P494144 [1,0,0,0,0,0|1,0,1]=3 303 B5R0.2 CCCCCO N350217 [1,0,0,0,0,0|1,0,1]=3 304 B5R0.2 CCCCCO P108125 [1,0,0,0,0,0|1,0,1]=3 305 B5R0.2 CCCCCO P108126 [1,0,0,0,0,0|1,0,1]=3 306 B5R0.2 CCCCCO P108127 [1,0,0,0,0,0|1,0,1]=3 307 B5R0.2 CCCCCO P108128 [1,0,0,0,0,0|1,0,1]=3 308 B5R0.2 CCCCCO P108129 [1,0,0,0,0,0|1,0,1]=3 309 B5R0.2 CCCCCO P108130 [1,0,0,0,0,0|1,0,1]=3 310 B5R0.2 CCCCCS A100028 [1,0,0,0,0,0|1,1,1]=4 311 B5R0.2 CCCCOC B152821 [1,0,0,0,0,0|3,0,0]=4 312 B5R0.2 CCCCON O184596 [1,0,0,0,0,0|2,0,1]=4 313 B5R0.2 CCCCSC B152508 [1,0,0,0,0,0|3,0,0]=4 314 B5R0.2 CCCC[Sn]Cl B302420 [1,0,0,0,0,0|3,0,0]=4 315 B5R0.2 CCCOC=C P137362 [1,0,0,0,0,0|3,0,0]=4 316 B5R0.2 CCCOC=O P160055 [1,0,0,0,0,0|2,0,0]=3 317 B5R0.2 CCNCCN N138023 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.2 CCNCCO E156112 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.2 CCNCCO E301665 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.2 CCOCC=C A151091 [1,0,0,0,0,0|3,0,0]=4 321 B5R0.2 CCOCCN E156296 [1,0,0,0,0,0|2,0,1]=4 322 B5R0.2 CCOCCO E110821 [1,0,0,0,0,0|2,0,1]=4 323 B5R0.2 CCOCCO E110822 [1,0,0,0,0,0|2,0,1]=4 324 B5R0.2 CCOCCO E118463 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.2 CCSCCN E170901 [1,0,0,0,0,0|2,0,1]=4 326 B5R0.2 CCSCCN E300178 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.2 CCSCCO E156428 [1,0,0,0,0,0|2,0,1]=4 328 B5R0.2 CNCCCN N104493 [1,0,0,0,0,0|2,0,0]=3 329 B5R0.2 CNCCCO M133702 [1,0,0,0,0,0|2,0,1]=4 330 B5R0.2 COCCCBr B136284 [1,0,0,0,0,0|3,0,0]=4 331 B5R0.2 COCCCCl C108061 [1,0,0,0,0,0|3,0,0]=4 332 B5R0.2 COCCCN M134485 [1,0,0,0,0,0|2,0,0]=3 333 B5R0.2 COCCCN M587821 [1,0,0,0,0,0|2,0,0]=3 334 B5R0.2 COCCCO M107732 [1,0,0,0,0,0|2,0,1]=4 335 B5R0.2 CSCCC=O M109548 [1,0,0,0,0,0|2,0,0]=3 336 B5R0.2 CSCCCN M158420 [1,0,0,0,0,0|2,0,0]=3 337 B5R0.2 CSCCCO M102967 [1,0,0,0,0,0|2,0,1]=4 338 B5R0.2 ClCCOC=C V141139 [1,0,0,0,0,0|3,0,0]=4 339 B5R0.2 OCCCCO P487355 [1,0,0,0,0,0|1,0,1]=3 340 B7R0.2 C(C(CN)O)C(=O)O S469570 [0,1,0,0,0,0|0,0,0]=1 341 B7R0.2 C(C(CO)N)C(=O)O H353181 [0,1,0,0,0,0|1,0,0]=2 342 B7R0.2 C(C(CO)N)C(=O)O S191379 [0,1,0,0,0,0|1,0,0]=2 343 B7R0.2 CCC(=O)CC(=O)C H192611 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.2 CCC(C)CC(=O)O M109883 [0,1,0,0,0,0|1,0,0]=2 345 B7R0.2 CCC(C)OC(=O)C B108576 [0,1,0,0,0,0|3,0,0]=4 346 B7R0.2 CCC(C)OC(=O)C B108578 [0,1,0,0,0,0|3,0,0]=4 347 B7R0.2 CCC(C)OC(=O)Cl S189048 [0,1,0,0,0,0|3,0,0]=4 348 B7R0.2 CCC(CC(=O)O)N A191758 [0,1,0,0,0,0|1,0,0]=2 349 B7R0.2 CCC(CC(=O)O)N I167296 [0,1,0,0,0,0|1,0,0]=2 350 B7R0.2 COC(=O)CC(=O)O M132669 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.3 C(CC(=O)NN)CO B301222 [0,1,0,0,0,0|2,0,0]=3 352 B7R0.3 C(CC(CO)O)CO P160114 [0,1,0,0,0,0|1,0,2]=4 353 B7R0.3 C=CC(=O)NCCO N159040 [0,1,0,0,0,0|3,0,0]=4 354 B7R0.3 C=CC(=O)OCCCl C477272 [0,1,0,0,0,0|3,0,0]=4 355 B7R0.3 C=CC(=O)OCCO H104535 [0,1,0,0,0,0|3,0,0]=4 356 B7R0.3 CC(CCCN)CN M158599 [0,1,0,0,0,0|2,0,1]=4 357 B7R0.3 CCC(=O)NCCO N158966 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.3 CCCCC(=C)CC E156236 [0,1,0,0,0,0|3,0,0]=4 359 B7R0.3 CCCCC(=O)CC H103766 [0,1,0,0,0,0|2,0,0]=3 360 B7R0.3 CCCCC(=O)NN P135113 [0,1,0,0,0,0|2,0,0]=3 361 B7R0.3 CCCCC(=O)OC M108213 [0,1,0,0,0,0|1,0,0]=2 362 B7R0.3 CCCCC(=O)OC M108214 [0,1,0,0,0,0|1,0,0]=2 363 B7R0.3 CCCCC(C#C)O H115791 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.3 CCCCC(C=C)O H589251 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.3 CCCCC(CC)O H156872 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.3 CCCCC(CO)N R349958 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.3 CCCCC(CO)O H108067 [0,1,0,0,0,0|1,0,2]=4 368 B7R0.3 CCCNC(=O)C=C N404954 [0,1,0,0,0,0|3,0,0]=4 369 B7R0.3 CCCOC(=O)CC P111531 [0,1,0,0,0,0|3,0,0]=4 370 B7R0.3 CCCOC(=O)CC P111532 [0,1,0,0,0,0|3,0,0]=4 371 B7R0.3 COC(=O)C=CCBr M137638 [0,1,0,0,0,0|1,0,2]=4 372 B7R0.3 COC(=O)C=CCBr M158855 [0,1,0,0,0,0|1,0,2]=4 373 B7R0.3 COC(=O)CCC#N M135512 [0,1,0,0,0,0|0,0,2]=3 374 B7R0.3 COC(=O)CCC#N M293045 [0,1,0,0,0,0|0,0,2]=3 375 B7R0.3 COC(=O)CCC=C M338666 [0,1,0,0,0,0|1,0,1]=3 376 B7R0.3 COC(=O)CCCBr M158832 [0,1,0,0,0,0|1,0,0]=2 377 B7R0.3 COC(=O)CCCBr M492178 [0,1,0,0,0,0|1,0,0]=2 378 B7R0.3 COC(=O)CCCCl C108118 [0,1,0,0,0,0|1,0,0]=2 379 B7R0.3 COC(=O)CCCI M167258 [0,1,0,0,0,0|1,0,0]=2 380 B7R0.3 COC(=O)CCCN M124081 [0,1,0,0,0,0|0,0,0]=1 381 B7R0.3 COC(=O)CCSC M302466 [0,1,0,0,0,0|2,0,0]=3 382 B7R0.3 COC(=O)CN=[N+]=[N-] M168057 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.3 COC(=O)OCC=C A136273 [0,1,0,0,0,0|2,0,1]=4 384 B7R0.3 COCCC(=O)OC M134953 [0,1,0,0,0,0|2,0,0]=3 385 B7R0.4 B(CCCCC)(O)O N193507 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.4 C#CCCCC(=O)O H111132 [0,1,0,0,0,0|1,0,0]=2 387 B7R0.4 C(CC#N)CC(=O)O C184246 [0,1,0,0,0,0|0,0,1]=2 388 B7R0.4 C(CCBr)CC(=O)Cl B138857 [0,1,0,0,0,0|2,0,0]=3 389 B7R0.4 C(CCBr)CC(=O)O B106966 [0,1,0,0,0,0|1,0,0]=2 390 B7R0.4 C(CCCl)CC(=O)Cl C102473 [0,1,0,0,0,0|2,0,0]=3 391 B7R0.4 C(CCCl)CC(=O)O C153468 [0,1,0,0,0,0|1,0,0]=2 392 B7R0.4 C(CCN)CC(=O)O A107493 [0,1,0,0,0,0|0,0,0]=1 393 B7R0.4 C(CCN)CC(=O)O A151151 [0,1,0,0,0,0|0,0,0]=1 394 B7R0.4 C(CCN)CC(=O)O A151349 [0,1,0,0,0,0|0,0,0]=1 395 B7R0.4 C(CCN)CC(=O)O A491891 [0,1,0,0,0,0|0,0,0]=1 396 B7R0.4 C(CCN)CC(=O)O A491894 [0,1,0,0,0,0|0,0,0]=1 397 B7R0.4 C(CCO)CC(=O)[O-] H184096 [0,1,0,0,0,0|1,0,1]=3 398 B7R0.4 C(CCl)OCC(=O)N C193030 [0,1,0,0,0,0|2,0,0]=3 399 B7R0.4 C(CNCC(=O)O)N A124646 [0,1,0,0,0,0|0,0,0]=1 400 B7R0.4 C=CCCCC(=O)O H157078 [0,1,0,0,0,0|1,0,0]=2 401 B7R0.4 CC(=O)CCCC#N K157732 [0,1,0,0,0,0|1,0,1]=3 402 B7R0.4 CC(=O)CCCCCl C108058 [0,1,0,0,0,0|2,0,0]=3 403 B7R0.4 CC(=O)OCCCCl C135233 [0,1,0,0,0,0|2,0,0]=3 404 B7R0.4 CC(=O)OCCOC M106167 [0,1,0,0,0,0|3,0,0]=4 405 B7R0.4 CC(=O)SCCCBr B333089 [0,1,0,0,0,0|2,0,0]=3 406 B7R0.4 CC(C)OCCCN A133357 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.4 CC(CCCCO)O H474422 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.4 CC(CNCCN)O N159095 [0,1,0,0,0,0|1,0,1]=3 409 B7R0.4 CCC=CCC(=O)O H101494 [0,1,0,0,0,0|1,0,1]=3 410 B7R0.4 CCCC=CC(=O)C H156932 [0,1,0,0,0,0|2,0,1]=4 411 B7R0.4 CCCC=CC(=O)O H107513 [0,1,0,0,0,0|1,0,1]=3 412 B7R0.4 CCCC=CC(=O)O H400070 [0,1,0,0,0,0|1,0,1]=3 413 B7R0.4 CCCCCC(=C)C M158504 [0,1,0,0,0,0|3,0,0]=4 414 B7R0.4 CCCCCC(=O)C H103803 [0,1,0,0,0,0|2,0,0]=3 415 B7R0.4 CCCCCC(=O)C H103827 [0,1,0,0,0,0|2,0,0]=3 416 B7R0.4 CCCCCC(=O)Cl H102419 [0,1,0,0,0,0|2,0,0]=3 417 B7R0.4 CCCCCC(=O)Cl H130076 [0,1,0,0,0,0|2,0,0]=3 418 B7R0.4 CCCCCC(=O)N H157108 [0,1,0,0,0,0|2,0,0]=3 419 B7R0.4 CCCCCC(=O)O H103630 [0,1,0,0,0,0|1,0,0]=2 420 B7R0.4 CCCCCC(=O)O H103631 [0,1,0,0,0,0|1,0,0]=2 421 B7R0.4 CCCCCC(=O)O H103632 [0,1,0,0,0,0|1,0,0]=2 422 B7R0.4 CCCCCC(=O)O H278778 [0,1,0,0,0,0|1,0,0]=2 423 B7R0.4 CCCCCC(=O)O H432079 [0,1,0,0,0,0|1,0,0]=2 424 B7R0.4 CCCCCC(=O)[O-] S161313 [0,1,0,0,0,0|1,0,1]=3 425 B7R0.4 CCCCCC(C)O H100747 [0,1,0,0,0,0|2,0,1]=4 426 B7R0.4 CCCCCC(C)O I137289 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.4 CCCCNC(=O)N B152704 [0,1,0,0,0,0|2,0,0]=3 428 B7R0.4 CCCCNC(=S)N B181673 [0,1,0,0,0,0|2,1,0]=4 429 B7R0.4 CCCCOC(=O)C B116224 [0,1,0,0,0,0|2,0,0]=3 430 B7R0.4 CCCCOC(=O)C B116225 [0,1,0,0,0,0|2,0,0]=3 431 B7R0.4 CCCCOC(=O)C B116227 [0,1,0,0,0,0|2,0,0]=3 432 B7R0.4 CCCCOC(=O)C B116228 [0,1,0,0,0,0|2,0,0]=3 433 B7R0.4 CCCCOC(=O)C B119685 [0,1,0,0,0,0|2,0,0]=3 434 B7R0.4 CCCCOC(=O)N B152422 [0,1,0,0,0,0|2,0,0]=3 435 B7R0.4 CCCCOC(=S)[S-] P160349 [0,1,0,0,0,0|1,2,0]=4 436 B7R0.4 CCCCO[N+](=O)[O-] N334844 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.4 CCCOCC(C)O P160113 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.4 CCOC=CC(=O)O E185593 [0,1,0,0,0,0|1,0,2]=4 439 B7R0.4 CCOCCC(=O)C E156453 [0,1,0,0,0,0|2,0,0]=3 440 B7R0.4 CCOCCC(=O)O E156172 [0,1,0,0,0,0|1,0,0]=2 441 B7R0.4 CN(C)CCCCN B301211 [0,1,0,0,0,0|3,0,0]=4 442 B7R0.4 CNCCCC(=O)O M276212 [0,1,0,0,0,0|0,0,0]=1 443 B7R0.4 CNCCCC(=O)O M397624 [0,1,0,0,0,0|0,0,0]=1 444 B7R0.4 CNCCCN(C)C I170434 [0,1,0,0,0,0|3,0,0]=4 445 B7R0.4 COCC=CC(=O)O E589767 [0,1,0,0,0,0|1,0,2]=4 446 B7R0.4 COCCCC(=O)O M192558 [0,1,0,0,0,0|1,0,0]=2 447 B7R0.4 COCCOC(=O)Cl M158778 [0,1,0,0,0,0|3,0,0]=4 448 B7R0.4 [CH]CCCCC(=O)[N] P111447 [0,1,0,0,0,0|2,0,0]=3 449 B7R0.4 [CH]CCCCC(=O)[N] P128923 [0,1,0,0,0,0|2,0,0]=3 450 B7R0.5 C#CCC(C(=O)O)N D133969 [0,1,0,0,0,0|1,0,1]=3 451 B7R0.5 C#CCC(C(=O)O)N R192202 [0,1,0,0,0,0|1,0,1]=3 452 B7R0.5 C#CCC(C(=O)O)N R304808 [0,1,0,0,0,0|1,0,1]=3 453 B7R0.5 C#CCC(C(=O)O)N S168837 [0,1,0,0,0,0|1,0,1]=3 454 B7R0.5 C(CBr)C(C(=O)O)N A101191 [0,1,0,0,0,0|1,0,0]=2 455 B7R0.5 C(CN)C(C(=O)O)N D102446 [0,1,0,0,0,0|0,0,0]=1 456 B7R0.5 C(CN)C(C(=O)O)N D113499 [0,1,0,0,0,0|0,0,0]=1 457 B7R0.5 C(CN)C(C(=O)O)N D117019 [0,1,0,0,0,0|0,0,0]=1 458 B7R0.5 C(CN)C(C(=O)O)O H181248 [0,1,0,0,0,0|0,0,0]=1 459 B7R0.5 C(CN)C(C(=O)O)O S161042 [0,1,0,0,0,0|0,0,0]=1 460 B7R0.5 C(CO)C(C(=O)O)N H100541 [0,1,0,0,0,0|1,0,0]=2 461 B7R0.5 C(CO)C(C(=O)O)N H101557 [0,1,0,0,0,0|1,0,0]=2 462 B7R0.5 C(CO)C(C(=O)O)N H105430 [0,1,0,0,0,0|1,0,0]=2 463 B7R0.5 C(CO)C(C(=O)O)N L425384 [0,1,0,0,0,0|1,0,0]=2 464 B7R0.5 C(CS)C(C(=O)O)N H106297 [0,1,0,0,0,0|1,0,0]=2 465 B7R0.5 C(CS)C(C(=O)O)N L134501 [0,1,0,0,0,0|1,0,0]=2 466 B7R0.5 C=CCC(C(=O)O)N A115225 [0,1,0,0,0,0|1,0,1]=3 467 B7R0.5 C=CCC(C(=O)O)N D101189 [0,1,0,0,0,0|1,0,1]=3 468 B7R0.5 C=CCC(C(=O)O)N D107871 [0,1,0,0,0,0|1,0,1]=3 469 B7R0.5 C=CCC(C(=O)O)N S101123 [0,1,0,0,0,0|1,0,1]=3 470 B7R0.5 C=CCC(C(=O)O)N S161223 [0,1,0,0,0,0|1,0,1]=3 471 B7R0.5 CC(=O)N(C)CCO N167555 [0,1,0,0,0,0|3,0,0]=4 472 B7R0.5 CC(C(=O)O)N=[N+]=[N-] I166546 [0,1,0,0,0,0|2,0,1]=4 473 B7R0.5 CC(C(=O)O)NC=O N159048 [0,1,0,0,0,0|2,0,1]=4 474 B7R0.5 CC(CC=C)C(=O)O M111848 [0,1,0,0,0,0|1,0,1]=3 475 B7R0.5 CCC=C(C)C(=O)O M102542 [0,1,0,0,0,0|1,0,2]=4 476 B7R0.5 CCC=C(C)C(=O)O M107371 [0,1,0,0,0,0|1,0,2]=4 477 B7R0.5 CCCC(=O)C(=O)C H106696 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.5 CCCC(=O)C(=O)O O159954 [0,1,0,0,0,0|1,0,1]=3 479 B7R0.5 CCCC(C(=O)O)Br B152768 [0,1,0,0,0,0|1,0,0]=2 480 B7R0.5 CCCC(C(=O)O)N N100542 [0,1,0,0,0,0|1,0,0]=2 481 B7R0.5 CCCC(C(=O)O)N N106191 [0,1,0,0,0,0|1,0,0]=2 482 B7R0.5 CCCC(C(=O)O)N N106215 [0,1,0,0,0,0|1,0,0]=2 483 B7R0.5 CCCC(C(=O)O)O S193305 [0,1,0,0,0,0|1,0,0]=2 484 B7R0.5 CCCC(C(=O)[O-])O B301319 [0,1,0,0,0,0|1,0,1]=3 485 B7R0.5 CCCC(C)C(=O)C M158798 [0,1,0,0,0,0|2,0,0]=3 486 B7R0.5 CCCC(C)C(=O)O B300596 [0,1,0,0,0,0|1,0,0]=2 487 B7R0.5 CCCC(C)C(=O)O M117868 [0,1,0,0,0,0|1,0,0]=2 488 B7R0.5 CCCC(C)C(=O)O M427193 [0,1,0,0,0,0|1,0,0]=2 489 B7R0.5 CCSC(C)C(=O)O E168418 [0,1,0,0,0,0|2,0,0]=3 490 B7R0.5 CNCC(C(=O)O)N S132658 [0,1,0,0,0,0|2,0,0]=3 491 B7R0.5 COCC(C(=O)O)Cl C133763 [0,1,0,0,0,0|2,0,0]=3 492 B7R0.5 COCC(C(=O)O)N S135785 [0,1,0,0,0,0|2,0,0]=3 493 B7R0.5 CSCC(C(=O)O)N M116973 [0,1,0,0,0,0|2,0,0]=3 494 B7R0.5 C[Se]CC(C(=O)O)N S161277 [0,1,0,0,0,0|2,0,0]=3 495 B7R0.6 C(=CC(=O)O)C(=O)N M158400 [0,1,0,0,0,0|0,0,3]=4 496 B7R0.6 C(C(=O)O)N=C(N)N G156848 [0,1,0,0,0,0|1,0,1]=3 497 B7R0.6 C(C(=O)O)NC(=O)N H157226 [0,1,0,0,0,0|1,0,1]=3 498 B7R0.6 C(C(=O)O)SC(=N)N S303941 [0,1,0,0,0,0|1,0,1]=3 499 B7R0.6 C(CC(=O)Cl)C(=O)Cl S108669 [0,1,0,0,0,0|2,0,1]=4 500 B7R0.6 C(CC(=O)N)C(=O)N S161127 [0,1,0,0,0,0|1,0,1]=3 501 B7R0.6 C(CC(=O)O)C(=O)O P111885 [0,1,0,0,0,0|1,0,1]=3 502 B7R0.6 C(CC(=O)O)C(=O)O S108852 [0,1,0,0,0,0|1,0,1]=3 503 B7R0.6 C(CC(=O)O)C(=O)O S108853 [0,1,0,0,0,0|1,0,1]=3 504 B7R0.6 C(CC(=O)O)C(=O)O S108854 [0,1,0,0,0,0|1,0,1]=3 505 B7R0.6 C(CC(=O)O)C(=O)O S108855 [0,1,0,0,0,0|1,0,1]=3 506 B7R0.6 C(CC(=O)O)C(=O)O S108856 [0,1,0,0,0,0|1,0,1]=3 507 B7R0.6 C(CC(=O)O)C(=O)O S303059 [0,1,0,0,0,0|1,0,1]=3 508 B7R0.6 C(CC(=O)O)C(=O)O S346179 [0,1,0,0,0,0|1,0,1]=3 509 B7R0.6 C(CC(=O)O)C(=O)O S420589 [0,1,0,0,0,0|1,0,1]=3 510 B7R0.6 C(CC(=O)O)C(=O)O S431423 [0,1,0,0,0,0|1,0,1]=3 511 B7R0.6 C(CC(=O)O)C(=O)O S431424 [0,1,0,0,0,0|1,0,1]=3 512 B7R0.6 C(CC(=O)O)C(=O)O S472090 [0,1,0,0,0,0|1,0,1]=3 513 B7R0.6 C(CC(=O)[O-])C(=O)O M158056 [0,1,0,0,0,0|1,0,1]=3 514 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A112576 [0,1,0,0,0,0|1,0,2]=4 515 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A406520 [0,1,0,0,0,0|1,0,2]=4 516 B7R0.6 C(CC(=O)[O-])C(=O)[O-] D154287 [0,1,0,0,0,0|1,0,2]=4 517 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S112882 [0,1,0,0,0,0|1,0,2]=4 518 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299565 [0,1,0,0,0,0|1,0,2]=4 519 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299566 [0,1,0,0,0,0|1,0,2]=4 520 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S421786 [0,1,0,0,0,0|1,0,2]=4 521 B7R0.6 C(C[N+](=O)[O-])C(=O)O N106587 [0,1,0,0,0,0|2,0,0]=3 522 B7R0.6 CC(=O)CCC(=O)C H106697 [0,1,0,0,0,0|2,0,1]=4 523 B7R0.6 CC(=O)CCC(=O)C H106698 [0,1,0,0,0,0|2,0,1]=4 524 B7R0.6 CC(=O)CCC(=O)C H106699 [0,1,0,0,0,0|2,0,1]=4 525 B7R0.6 CC(=O)CCC(=O)O L104281 [0,1,0,0,0,0|1,0,1]=3 526 B7R0.6 CC(=O)CCC(=O)O L278641 [0,1,0,0,0,0|1,0,1]=3 527 B7R0.6 CC(=O)CCC(=O)O L298748 [0,1,0,0,0,0|1,0,1]=3 528 B7R0.6 CC(=O)CCC(=O)O L421026 [0,1,0,0,0,0|1,0,1]=3 529 B7R0.6 CC(=O)NCC(=O)O A103973 [0,1,0,0,0,0|2,0,1]=4 530 B7R0.6 CC(=O)OCC(=O)O A167143 [0,1,0,0,0,0|2,0,1]=4 531 B7R0.6 CC(=O)OCC(F)F D154397 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.6 CC(=O)SCC(=O)O S131714 [0,1,0,0,0,0|2,0,1]=4 533 B7R0.6 CC(=S)NCC(=O)O N159832 [0,1,0,0,0,0|2,0,1]=4 534 B7R0.6 CC(C)C=CC(=O)O M158379 [0,1,0,0,0,0|1,0,2]=4 535 B7R0.6 CC(C)CCC(=C)C D155278 [0,1,0,0,0,0|3,0,0]=4 536 B7R0.6 CC(C)CCC(=O)C M106666 [0,1,0,0,0,0|2,0,0]=3 537 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,1,0,0,0,0|2,0,0]=3 538 B7R0.6 CC(C)CCC(=O)O M117869 [0,1,0,0,0,0|1,0,0]=2 539 B7R0.6 CC(C)CCC(C)N W299301 [0,1,0,0,0,0|2,0,1]=4 540 B7R0.6 CC(C)CCC(C)O M157779 [0,1,0,0,0,0|2,0,1]=4 541 B7R0.6 CC(C)COC(=O)C I110418 [0,1,0,0,0,0|3,0,0]=4 542 B7R0.6 CC(C)COC(=O)C I110419 [0,1,0,0,0,0|3,0,0]=4 543 B7R0.6 CC(C)COC(=O)Cl I105738 [0,1,0,0,0,0|3,0,0]=4 544 B7R0.6 CC(CCC(C)O)O H157400 [0,1,0,0,0,0|2,0,1]=4 545 B7R0.6 CC(CCC(C)O)O R160953 [0,1,0,0,0,0|2,0,1]=4 546 B7R0.6 CC(CCC(C)O)O S133391 [0,1,0,0,0,0|2,0,1]=4 547 B7R0.6 CN(C)CCC(=O)O D132248 [0,1,0,0,0,0|2,0,0]=3 548 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,1,0,0,0,0|2,0,0]=3 549 B7R0.8 C(CN)CP(=O)(O)O A166928 [0,1,0,0,0,0|1,0,0]=2 550 B7R0.8 C(CN)CS(=O)(=O)O A107500 [0,1,0,0,0,0|1,0,0]=2 551 B7R0.8 C(CN)CS(=O)(=O)O A423654 [0,1,0,0,0,0|1,0,0]=2 552 B7R0.8 C(CN)CS(=O)(=O)[O-] A119944 [0,1,0,0,0,0|1,0,1]=3 553 B7R0.8 C(CO)CS(=O)(=O)O H119941 [0,1,0,0,0,0|2,0,0]=3 554 B7R0.8 C(CO)CS(=O)(=O)[O-] H119943 [0,1,0,0,0,0|2,0,1]=4 555 B7R0.8 C(COP(=O)(O)O)N O160016 [0,1,0,0,0,0|2,0,0]=3 556 B7R0.8 C(COP(=O)(O)O)N O420512 [0,1,0,0,0,0|2,0,0]=3 557 B7R0.8 C(COS(=O)(=O)O)N A151387 [0,1,0,0,0,0|2,0,0]=3 558 B7R0.8 C(CP(=O)(O)O)CBr B163023 [0,1,0,0,0,0|2,0,0]=3 559 B7R0.8 C(CS(=O)(=O)Cl)CCl C122512 [0,1,0,0,0,0|2,0,1]=4 560 B7R0.8 C(CS(=O)(=O)N)CCl C588852 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.8 C(CS(=O)(=O)[O-])CBr S161134 [0,1,0,0,0,0|2,0,1]=4 562 B7R0.8 C(CS)CS(=O)(=O)[O-] S106463 [0,1,0,0,0,0|2,0,1]=4 563 B7R0.8 C(CSP(=O)(O)[O-])N C337778 [0,1,0,0,0,0|2,0,0]=3 564 B7R0.8 CCCCC(C)(C)O M157782 [0,1,0,0,0,0|2,0,1]=4 565 B7R0.8 CCCCP(=O)(O)O B405418 [0,1,0,0,0,0|2,0,0]=3 566 B7R0.8 CCCCS(=O)(=O)Cl B151910 [0,1,0,0,0,0|2,0,1]=4 567 B7R0.8 CCCCS(=O)(=O)[O-] S112988 [0,1,0,0,0,0|2,0,1]=4 568 B7R0.8 CCCCS(=O)(=O)[O-] S118662 [0,1,0,0,0,0|2,0,1]=4 569 B7R0.8 CNCCS(=O)(=O)O M586325 [0,1,0,0,0,0|3,0,0]=4 570 B7R0.8 CS(=O)(=O)CCCBr B493202 [0,1,0,0,0,0|2,0,1]=4 571 B7R1.2 C1=CC(=O)OC1O H302820 [0,0,0,1,0,0|1,0,2]=4 572 B7R1.2 C1C(=O)N=C(S1)N A168665 [0,0,0,1,0,0|2,0,1]=4 573 B7R1.2 C1C(=O)N=C(S1)N A193919 [0,0,0,1,0,0|2,0,1]=4 574 B7R1.2 C1C(=O)OC(=O)N1 O132967 [0,0,0,1,0,0|2,0,1]=4 575 B7R1.2 C1C(CNC1=O)N A587603 [0,0,0,1,0,0|2,0,0]=3 576 B7R1.2 C1C(CNC1=O)O H119311 [0,0,0,1,0,0|3,0,0]=4 577 B7R1.2 C1C(CNC1=O)O H119312 [0,0,0,1,0,0|3,0,0]=4 578 B7R1.2 C1C(CNC1=O)O H183207 [0,0,0,1,0,0|3,0,0]=4 579 B7R1.2 C1C(COC1=O)N R189910 [0,0,0,1,0,0|2,0,0]=3 580 B7R1.2 C1C(COC1=O)N S189909 [0,0,0,1,0,0|2,0,0]=3 581 B7R1.2 C1C(COC1=O)O H107941 [0,0,0,1,0,0|3,0,0]=4 582 B7R1.2 C1C(OC(=O)O1)Cl C154009 [0,0,0,1,0,0|2,0,0]=3 583 B7R1.2 C1C(OC(=O)O1)Cl C298772 [0,0,0,1,0,0|2,0,0]=3 584 B7R1.2 C1C(OC(=O)O1)F F120339 [0,0,0,1,0,0|2,0,0]=3 585 B7R1.2 C1CC(=O)CC1=O C138777 [0,0,0,1,0,0|2,0,1]=4 586 B7R1.2 C1CC(=O)NC1=O S104077 [0,0,0,1,0,0|2,0,1]=4 587 B7R1.2 C1CC(=O)NC1=O S104079 [0,0,0,1,0,0|2,0,1]=4 588 B7R1.2 C1CC(=O)OC1=O S104823 [0,0,0,1,0,0|1,0,1]=3 589 B7R1.2 C1CC(=O)OC1=O S104824 [0,0,0,1,0,0|1,0,1]=3 590 B7R1.2 C1CC(CC1N)O R173195 [0,0,0,1,0,0|1,0,1]=3 591 B7R1.2 C1CC(CC1N)O S587381 [0,0,0,1,0,0|1,0,1]=3 592 B7R1.2 C1CC(CC1N)O T172883 [0,0,0,1,0,0|1,0,1]=3 593 B7R1.2 C1CC(CC1O)O C153245 [0,0,0,1,0,0|2,0,1]=4 594 B7R1.2 CC1=CC(=O)CC1 M109537 [0,0,0,1,0,0|2,0,1]=4 595 B7R1.2 CC1=CCC(=O)O1 A151155 [0,0,0,1,0,0|1,0,2]=4 596 B7R1.2 CC1=CCC(=O)O1 A433012 [0,0,0,1,0,0|1,0,2]=4 597 B7R1.2 CC1CCC(=O)C1 M113659 [0,0,0,1,0,0|2,0,0]=3 598 B7R1.2 CC1CCC(=O)N1 M158429 [0,0,0,1,0,0|2,0,0]=3 599 B7R1.2 CC1CCC(=O)O1 V106294 [0,0,0,1,0,0|1,0,0]=2 600 B7R1.2 CC1CCC(C1)O M351118 [0,0,0,1,0,0|2,0,1]=4 601 B7R1.2 CC1CCC(O1)C D155243 [0,0,0,1,0,0|2,0,1]=4 602 B7R1.2 CC1COC(=O)O1 P105723 [0,0,0,1,0,0|2,0,0]=3 603 B7R1.2 CC1COC(=O)O1 P105724 [0,0,0,1,0,0|2,0,0]=3 604 B7R1.2 CC1COC(=O)O1 P105725 [0,0,0,1,0,0|2,0,0]=3 605 B7R1.2 CC1COC(=O)O1 P105726 [0,0,0,1,0,0|2,0,0]=3 606 B7R1.2 CC1COC(=O)O1 P122960 [0,0,0,1,0,0|2,0,0]=3 607 B7R1.2 CC1COC(=O)O1 S135940 [0,0,0,1,0,0|2,0,0]=3 608 B7R1.2 CC1COS(=O)O1 M120340 [0,0,0,1,0,0|3,0,0]=4 609 B7R1.2 CN1CCC(=O)C1 M343187 [0,0,0,1,0,0|3,0,0]=4 610 B7R1.2 CN1CCC(C1)N M173360 [0,0,0,1,0,0|3,0,0]=4 611 B7R1.3 C1CC(=O)CNC1 P301951 [0,0,0,1,0,0|1,0,0]=2 612 B7R1.3 C1CC(=O)COC1 O175840 [0,0,0,1,0,0|2,0,0]=3 613 B7R1.3 C1CC(CNC1)F F166180 [0,0,0,1,0,0|2,0,1]=4 614 B7R1.3 C1CC(CNC1)N A119349 [0,0,0,1,0,0|2,0,1]=4 615 B7R1.3 C1CC(CNC1)N A121532 [0,0,0,1,0,0|2,0,1]=4 616 B7R1.3 C1CC(CNC1)N A121533 [0,0,0,1,0,0|2,0,1]=4 617 B7R1.3 C1CC(CNC1)N A151173 [0,0,0,1,0,0|2,0,1]=4 618 B7R1.3 C1CC(CNC1)N R586890 [0,0,0,1,0,0|2,0,1]=4 619 B7R1.3 C1CC(CNC1)O H119140 [0,0,0,1,0,0|1,0,1]=3 620 B7R1.3 C1CC(CNC1)O H119141 [0,0,0,1,0,0|1,0,1]=3 621 B7R1.3 C1CC(CNC1)O H123507 [0,0,0,1,0,0|1,0,1]=3 622 B7R1.3 C1CC(CNC1)O H123509 [0,0,0,1,0,0|1,0,1]=3 623 B7R1.3 C1CC(CNC1)O S588362 [0,0,0,1,0,0|1,0,1]=3 624 B7R1.3 C1CC(COC1)O O175461 [0,0,0,1,0,0|2,0,1]=4 625 B7R1.3 C1CC=CC(C1)O C137053 [0,0,0,1,0,0|2,0,1]=4 626 B7R1.3 C1CCC(=O)CC1 C116449 [0,0,0,1,0,0|2,0,0]=3 627 B7R1.3 C1CCC(=O)CC1 C116451 [0,0,0,1,0,0|2,0,0]=3 628 B7R1.3 C1CCC(=O)CC1 C116453 [0,0,0,1,0,0|2,0,0]=3 629 B7R1.3 C1CCC(=O)CC1 C116454 [0,0,0,1,0,0|2,0,0]=3 630 B7R1.3 C1CCC(=O)CC1 C295202 [0,0,0,1,0,0|2,0,0]=3 631 B7R1.3 C1CCC(=O)CC1 C471914 [0,0,0,1,0,0|2,0,0]=3 632 B7R1.3 C1CCC(=O)CC1 C615386 [0,0,0,1,0,0|2,0,0]=3 633 B7R1.3 C1CCC(CC1)O C110399 [0,0,0,1,0,0|2,0,1]=4 634 B7R1.3 C1CCC(CC1)O C110400 [0,0,0,1,0,0|2,0,1]=4 635 B7R1.3 C1CCC(CC1)O C110401 [0,0,0,1,0,0|2,0,1]=4 636 B7R1.3 C1CCC(CC1)O C121272 [0,0,0,1,0,0|2,0,1]=4 637 B7R1.3 C1CCNC(=O)C1 P160613 [0,0,0,1,0,0|2,0,0]=3 638 B7R1.3 C1CCOC(=O)C1 V100560 [0,0,0,1,0,0|1,0,0]=2 639 B7R1.3 C1CNC(=O)CN1 P135012 [0,0,0,1,0,0|2,0,0]=3 640 B7R1.3 C1CNC(=O)NC1 T162348 [0,0,0,1,0,0|3,0,0]=4 641 B7R1.3 C1CNC(=O)OC1 O170792 [0,0,0,1,0,0|2,0,0]=3 642 B7R1.3 C1COC(=O)C=C1 D155403 [0,0,0,1,0,0|1,0,2]=4 643 B7R1.3 C1COC(=O)CO1 D122246 [0,0,0,1,0,0|2,0,0]=3 644 B7R1.3 C1COC(=O)OC1 D155394 [0,0,0,1,0,0|2,0,0]=3 645 B7R1.3 C1COCC(=O)N1 M157861 [0,0,0,1,0,0|3,0,0]=4 646 B7R1.3 C1COCCC1=O T107483 [0,0,0,1,0,0|3,0,0]=4 647 B7R1.3 C1COS(=O)OC1 D137600 [0,0,0,1,0,0|3,0,0]=4 648 B7R1.3 C1CSCCC1=O T121984 [0,0,0,1,0,0|3,0,0]=4 649 B7R1.3 C=C1CCCCC1 M158229 [0,0,0,1,0,0|3,0,0]=4 650 B7R1.3 CC1=CCCCC1 M158209 [0,0,0,1,0,0|3,0,0]=4 651 B7R1.3 CC1CCCNC1 M158771 [0,0,0,1,0,0|2,0,1]=4 652 B7R1.3 CC1CCCNC1 R588230 [0,0,0,1,0,0|2,0,1]=4 653 B7R1.3 CC1CCCNC1 S191141 [0,0,0,1,0,0|2,0,1]=4 654 B7R1.3 C[Si]1CCCCO1 P107083 [0,0,0,1,0,0|2,1,0]=4 655 B7R1.7 CCCCC1CO1 E156398 [0,0,0,1,0,0|2,0,1]=4 656 B7R1.10 C1C(CC1=O)C#N O175570 [0,0,0,1,0,0|1,0,2]=4 657 B7R1.10 C1C(CC1=O)CO H175239 [0,0,0,1,0,0|2,0,0]=3 658 B7R1.12 C1C(C1F)C(=O)O F191156 [0,0,0,1,0,0|1,0,0]=2 659 B7R1.12 C1C(C1F)C(=O)O R586886 [0,0,0,1,0,0|1,0,0]=2 660 B7R1.12 C1C(C1F)C(=O)O R587591 [0,0,0,1,0,0|1,0,0]=2 661 B7R1.12 C1C(C1F)C(=O)O S587590 [0,0,0,1,0,0|1,0,0]=2 662 B7R1.12 CC1CC1C(=O)O M169350 [0,0,0,1,0,0|1,0,0]=2 663 B7R1.14 C1CCS(=O)(=O)C1 S110939 [0,0,0,1,0,0|2,0,1]=4 664 B7R1.14 C1CCS(=O)(=O)C1 S110940 [0,0,0,1,0,0|2,0,1]=4 665 B7R1.14 C1CCS(=O)(=O)C1 S110941 [0,0,0,1,0,0|2,0,1]=4 666 B7R1.14 C1CCS(=O)(=O)C1 S110942 [0,0,0,1,0,0|2,0,1]=4 667 B7R1.14 C1CCS(=O)(=O)C1 S357666 [0,0,0,1,0,0|2,0,1]=4 668 B7R1.14 C1CNS(=O)(=O)C1 P185427 [0,0,0,1,0,0|1,0,1]=3 669 B7R1.14 C1COS(=O)(=O)C1 P105652 [0,0,0,1,0,0|2,0,1]=4 670 B7R1.14 CC1(CCCC1)O M101087 [0,0,0,1,0,0|2,0,1]=4 671 B7R1.14 CC1(CCCN1)C D176967 [0,0,0,1,0,0|2,0,1]=4 672 B7R1.18 C1C(CN1)C(=O)O A103105 [0,0,0,1,0,0|2,0,0]=3 673 B7R1.18 C1C(CO1)C(=O)O O166062 [0,0,0,1,0,0|2,0,0]=3 674 B7R1.18 C1CC(C1)C(=O)Cl C170618 [0,0,0,1,0,0|2,0,0]=3 675 B7R1.18 C1CC(C1)C(=O)O C120879 [0,0,0,1,0,0|1,0,0]=2 676 B7R1.18 C1CNC1C(=O)O A124088 [0,0,0,1,0,0|0,0,0]=1 677 B7R1.18 C1CNC1C(=O)O A175896 [0,0,0,1,0,0|0,0,0]=1 678 B7R1.18 C1CNC1C(=O)O R177416 [0,0,0,1,0,0|0,0,0]=1 679 B7R1.18 CC(=O)C1CCC1 A151658 [0,0,0,1,0,0|2,0,0]=3 680 B7R1.20 C1CC1CC(=O)O C134997 [0,0,0,1,0,0|1,0,0]=2 681 B4R0.1 B(CC)(O)O E120272 [2,0,0,0,0,0|1,0,1]=4 682 B4R0.1 C#CC(=O)O P109569 [2,0,0,0,0,0|0,0,2]=4 683 B4R0.1 C(=O)(N)NN A105056 [2,0,0,0,0,0|2,0,0]=4 684 B4R0.1 C(=O)(N)NN A105058 [2,0,0,0,0,0|2,0,0]=4 685 B4R0.1 C(=O)(N)NN S171063 [2,0,0,0,0,0|2,0,0]=4 686 B4R0.1 C(=O)C(=O)O G108309 [2,0,0,0,0,0|1,0,1]=4 687 B4R0.1 C(=O)C(=O)O G169372 [2,0,0,0,0,0|1,0,1]=4 688 B4R0.1 C(C(=N)N)N A133988 [2,0,0,0,0,0|2,0,0]=4 689 B4R0.1 C(C(=O)Br)Br B106897 [2,0,0,0,0,0|2,0,0]=4 690 B4R0.1 C(C(=O)Cl)Br B137113 [2,0,0,0,0,0|2,0,0]=4 691 B4R0.1 C(C(=O)N)Br B139173 [2,0,0,0,0,0|2,0,0]=4 692 B4R0.1 C(C(=O)N)Cl C106072 [2,0,0,0,0,0|2,0,0]=4 693 B4R0.1 C(C(=O)N)I I105563 [2,0,0,0,0,0|2,0,0]=4 694 B4R0.1 C(C(=O)N)I I131590 [2,0,0,0,0,0|2,0,0]=4 695 B4R0.1 C(C(=O)N)I I421630 [2,0,0,0,0,0|2,0,0]=4 696 B4R0.1 C(C(=O)N)N G106202 [2,0,0,0,0,0|1,0,0]=3 697 B4R0.1 C(C(=O)N)N G185482 [2,0,0,0,0,0|1,0,0]=3 698 B4R0.1 C(C(=O)N)O G102639 [2,0,0,0,0,0|2,0,0]=4 699 B4R0.1 C(C(=O)O)Br B108523 [2,0,0,0,0,0|1,0,0]=3 700 B4R0.1 C(C(=O)O)Br B108524 [2,0,0,0,0,0|1,0,0]=3 701 B4R0.1 C(C(=O)O)Br B108525 [2,0,0,0,0,0|1,0,0]=3 702 B4R0.1 C(C(=O)O)Br B355164 [2,0,0,0,0,0|1,0,0]=3 703 B4R0.1 C(C(=O)O)Br B434194 [2,0,0,0,0,0|1,0,0]=3 704 B4R0.1 C(C(=O)O)Cl C485697 [2,0,0,0,0,0|1,0,0]=3 705 B4R0.1 C(C(=O)O)I I104613 [2,0,0,0,0,0|1,0,0]=3 706 B4R0.1 C(C(=O)O)N A110749 [2,0,0,0,0,0|0,0,0]=2 707 B4R0.1 C(C(=O)O)N A110750 [2,0,0,0,0,0|0,0,0]=2 708 B4R0.1 C(C(=O)O)N A110751 [2,0,0,0,0,0|0,0,0]=2 709 B4R0.1 C(C(=O)O)N A110752 [2,0,0,0,0,0|0,0,0]=2 710 B4R0.1 C(C(=O)O)N A111465 [2,0,0,0,0,0|0,0,0]=2 711 B4R0.1 C(C(=O)O)N A124751 [2,0,0,0,0,0|0,0,0]=2 712 B4R0.1 C(C(=O)O)N A124757 [2,0,0,0,0,0|0,0,0]=2 713 B4R0.1 C(C(=O)O)N A298706 [2,0,0,0,0,0|0,0,0]=2 714 B4R0.1 C(C(=O)O)N B190646 [2,0,0,0,0,0|0,0,0]=2 715 B4R0.1 C(C(=O)O)N B573462 [2,0,0,0,0,0|0,0,0]=2 716 B4R0.1 C(C(=O)O)N G110174 [2,0,0,0,0,0|0,0,0]=2 717 B4R0.1 C(C(=O)O)N G119904 [2,0,0,0,0,0|0,0,0]=2 718 B4R0.1 C(C(=O)O)N G133060 [2,0,0,0,0,0|0,0,0]=2 719 B4R0.1 C(C(=O)O)N G156794 [2,0,0,0,0,0|0,0,0]=2 720 B4R0.1 C(C(=O)O)N G156795 [2,0,0,0,0,0|0,0,0]=2 721 B4R0.1 C(C(=O)O)N G432934 [2,0,0,0,0,0|0,0,0]=2 722 B4R0.1 C(C(=O)O)N G432935 [2,0,0,0,0,0|0,0,0]=2 723 B4R0.1 C(C(=O)O)N G471905 [2,0,0,0,0,0|0,0,0]=2 724 B4R0.1 C(C(=O)O)N G472098 [2,0,0,0,0,0|0,0,0]=2 725 B4R0.1 C(C(=O)O)O G104191 [2,0,0,0,0,0|1,0,0]=3 726 B4R0.1 C(C(=O)O)O G104193 [2,0,0,0,0,0|1,0,0]=3 727 B4R0.1 C(C(=O)O)O G425976 [2,0,0,0,0,0|1,0,0]=3 728 B4R0.1 C(C(=O)O)O G434198 [2,0,0,0,0,0|1,0,0]=3 729 B4R0.1 C(C(=O)O)O G591002 [2,0,0,0,0,0|1,0,0]=3 730 B4R0.1 C(C(=O)O)O N129652 [2,0,0,0,0,0|1,0,0]=3 731 B4R0.1 C(C(=O)O)O N427119 [2,0,0,0,0,0|1,0,0]=3 732 B4R0.1 C(C(=O)O)O P136309 [2,0,0,0,0,0|1,0,0]=3 733 B4R0.1 C(C(=O)O)O P477164 [2,0,0,0,0,0|1,0,0]=3 734 B4R0.1 C(C(=O)O)S T104998 [2,0,0,0,0,0|1,0,0]=3 735 B4R0.1 C(C(=O)O)S T105002 [2,0,0,0,0,0|1,0,0]=3 736 B4R0.1 C(C(=O)O)S T501446 [2,0,0,0,0,0|1,0,0]=3 737 B4R0.1 C(C(=O)[O-])Br S124697 [2,0,0,0,0,0|1,0,1]=4 738 B4R0.1 C(C(=O)[O-])Cl S108371 [2,0,0,0,0,0|1,0,1]=4 739 B4R0.1 C(C(=O)[O-])I S104897 [2,0,0,0,0,0|1,0,1]=4 740 B4R0.1 C(C(=O)[O-])N F302712 [2,0,0,0,0,0|0,0,1]=3 741 B4R0.1 C(C(=O)[O-])N G104214 [2,0,0,0,0,0|0,0,1]=3 742 B4R0.1 C(C(=O)[O-])N G156806 [2,0,0,0,0,0|0,0,1]=3 743 B4R0.1 C(C(=O)[O-])N G168473 [2,0,0,0,0,0|0,0,1]=3 744 B4R0.1 C(C(=O)[O-])N M302926 [2,0,0,0,0,0|0,0,1]=3 745 B4R0.1 C(C(=O)[O-])O C154022 [2,0,0,0,0,0|1,0,1]=4 746 B4R0.1 C(C(=O)[O-])O C347797 [2,0,0,0,0,0|1,0,1]=4 747 B4R0.1 C(C(=O)[O-])O S102872 [2,0,0,0,0,0|1,0,1]=4 748 B4R0.1 C(C(=O)[O-])S A109096 [2,0,0,0,0,0|1,0,1]=4 749 B4R0.1 C(C(=O)[O-])S C154034 [2,0,0,0,0,0|1,0,1]=4 750 B4R0.1 C(C(=O)[O-])S S105664 [2,0,0,0,0,0|1,0,1]=4 751 B4R0.1 C=CC(=O)O A103525 [2,0,0,0,0,0|0,0,2]=4 752 B4R0.1 C=CC(=O)O A103526 [2,0,0,0,0,0|0,0,2]=4 753 B4R0.1 C=CC(=O)O A397753 [2,0,0,0,0,0|0,0,2]=4 754 B4R0.1 C=CC(=O)O A434196 [2,0,0,0,0,0|0,0,2]=4 755 B4R0.1 C=CC(=O)O A615488 [2,0,0,0,0,0|0,0,2]=4 756 B4R0.1 C=CC(=O)O P104270 [2,0,0,0,0,0|0,0,2]=4 757 B4R0.1 C=CC(=O)O P104272 [2,0,0,0,0,0|0,0,2]=4 758 B4R0.1 C=CC(=O)O P131657 [2,0,0,0,0,0|0,0,2]=4 759 B4R0.1 C=CC(=O)O P131658 [2,0,0,0,0,0|0,0,2]=4 760 B4R0.1 C=CC(=O)O P131659 [2,0,0,0,0,0|0,0,2]=4 761 B4R0.1 C=CC(=O)O P299190 [2,0,0,0,0,0|0,0,2]=4 762 B4R0.1 C=CC(=O)O P404949 [2,0,0,0,0,0|0,0,2]=4 763 B4R0.1 C=CC(=O)O P639633 [2,0,0,0,0,0|0,0,2]=4 764 B4R0.1 CC(=C)CN M158608 [2,0,0,0,0,0|2,0,0]=4 765 B4R0.1 CC(=O)CF F170335 [2,0,0,0,0,0|2,0,0]=4 766 B4R0.1 CC(=O)CN A186558 [2,0,0,0,0,0|1,0,0]=3 767 B4R0.1 CC(=O)CN A485063 [2,0,0,0,0,0|1,0,0]=3 768 B4R0.1 CC(=O)CO H111149 [2,0,0,0,0,0|2,0,0]=4 769 B4R0.1 CC(=O)NC M106450 [2,0,0,0,0,0|2,0,0]=4 770 B4R0.1 CC(=O)NN A151537 [2,0,0,0,0,0|2,0,0]=4 771 B4R0.1 CC(=O)OC M103353 [2,0,0,0,0,0|2,0,0]=4 772 B4R0.1 CC(=O)OC M103354 [2,0,0,0,0,0|2,0,0]=4 773 B4R0.1 CC(=O)OC M103356 [2,0,0,0,0,0|2,0,0]=4 774 B4R0.1 CC(=O)OC M103357 [2,0,0,0,0,0|2,0,0]=4 775 B4R0.1 CC(=O)OC M103358 [2,0,0,0,0,0|2,0,0]=4 776 B4R0.1 CC(=O)OC M103359 [2,0,0,0,0,0|2,0,0]=4 777 B4R0.1 CC(=O)SC S161332 [2,0,0,0,0,0|2,0,0]=4 778 B4R0.1 CC(CN)O A108441 [2,0,0,0,0,0|1,0,1]=4 779 B4R0.1 CC(CN)O A108442 [2,0,0,0,0,0|1,0,1]=4 780 B4R0.1 CC(CN)O A278622 [2,0,0,0,0,0|1,0,1]=4 781 B4R0.1 CC(CN)O A299438 [2,0,0,0,0,0|1,0,1]=4 782 B4R0.1 CC(CN)O I157481 [2,0,0,0,0,0|1,0,1]=4 783 B4R0.1 CC(CN)O R160942 [2,0,0,0,0,0|1,0,1]=4 784 B4R0.1 CC(CN)O S161024 [2,0,0,0,0,0|1,0,1]=4 785 B4R0.1 CCC(=N)N P588869 [2,0,0,0,0,0|2,0,0]=4 786 B4R0.1 CCC(=O)Br P107847 [2,0,0,0,0,0|1,0,0]=3 787 B4R0.1 CCC(=O)C B471974 [2,0,0,0,0,0|1,0,0]=3 788 B4R0.1 CCC(=O)Cl P108665 [2,0,0,0,0,0|1,0,0]=3 789 B4R0.1 CCC(=O)N P104016 [2,0,0,0,0,0|1,0,0]=3 790 B4R0.1 CCC(=O)O P110443 [2,0,0,0,0,0|0,0,0]=2 791 B4R0.1 CCC(=O)O P110444 [2,0,0,0,0,0|0,0,0]=2 792 B4R0.1 CCC(=O)O P110445 [2,0,0,0,0,0|0,0,0]=2 793 B4R0.1 CCC(=O)O P110446 [2,0,0,0,0,0|0,0,0]=2 794 B4R0.1 CCC(=O)O P110447 [2,0,0,0,0,0|0,0,0]=2 795 B4R0.1 CCC(=O)O P301795 [2,0,0,0,0,0|0,0,0]=2 796 B4R0.1 CCC(=O)O P343294 [2,0,0,0,0,0|0,0,0]=2 797 B4R0.1 CCC(=O)O P346208 [2,0,0,0,0,0|0,0,0]=2 798 B4R0.1 CCC(=O)O P434195 [2,0,0,0,0,0|0,0,0]=2 799 B4R0.1 CCC(=O)[O-] C112470 [2,0,0,0,0,0|0,0,1]=3 800 B4R0.1 CCC(=O)[O-] C112471 [2,0,0,0,0,0|0,0,1]=3 801 B4R0.1 CCC(=O)[O-] C492256 [2,0,0,0,0,0|0,0,1]=3 802 B4R0.1 CCC(=O)[O-] P160177 [2,0,0,0,0,0|0,0,1]=3 803 B4R0.1 CCC(=O)[O-] S100120 [2,0,0,0,0,0|0,0,1]=3 804 B4R0.1 CCC(=O)[O-] S100121 [2,0,0,0,0,0|0,0,1]=3 805 B4R0.1 CCC(=O)[O-] S100122 [2,0,0,0,0,0|0,0,1]=3 806 B4R0.1 CCC(=O)[O-] S346177 [2,0,0,0,0,0|0,0,1]=3 807 B4R0.1 CCC(=O)[O-] Z346699 [2,0,0,0,0,0|0,0,1]=3 808 B4R0.1 CCC(C)O B110360 [2,0,0,0,0,0|1,0,1]=4 809 B4R0.1 CCC(C)O B110361 [2,0,0,0,0,0|1,0,1]=4 810 B4R0.1 CCC(C)O B110362 [2,0,0,0,0,0|1,0,1]=4 811 B4R0.1 CCC(C)O B110365 [2,0,0,0,0,0|1,0,1]=4 812 B4R0.1 CCC(C)O R138264 [2,0,0,0,0,0|1,0,1]=4 813 B4R0.1 CCC(C)O S138824 [2,0,0,0,0,0|1,0,1]=4 814 B4R0.1 CCS(=O)[O-] S182544 [2,0,0,0,0,0|1,0,1]=4 815 B4R0.1 CNC(=O)Cl M304270 [2,0,0,0,0,0|2,0,0]=4 816 B4R0.1 CNC(=O)N M107951 [2,0,0,0,0,0|2,0,0]=4 817 B4R0.1 COC(=O)N M110332 [2,0,0,0,0,0|2,0,0]=4 818 B4R0.2 C#CCCN B195517 [2,0,0,0,0,0|0,0,2]=4 819 B4R0.2 C#CCCO B106249 [2,0,0,0,0,0|1,0,1]=4 820 B4R0.2 C(C=CO)Cl R303195 [2,0,0,0,0,0|1,0,1]=4 821 B4R0.2 C(CBr)CBr D104777 [2,0,0,0,0,0|2,0,0]=4 822 B4R0.2 C(CBr)CBr D104778 [2,0,0,0,0,0|2,0,0]=4 823 B4R0.2 C(CCl)CBr B105780 [2,0,0,0,0,0|2,0,0]=4 824 B4R0.2 C(CCl)CCl D109184 [2,0,0,0,0,0|2,0,0]=4 825 B4R0.2 C(CCl)CCl D109185 [2,0,0,0,0,0|2,0,0]=4 826 B4R0.2 C(CCl)CCl D113099 [2,0,0,0,0,0|2,0,0]=4 827 B4R0.2 C(CCl)CCl D128142 [2,0,0,0,0,0|2,0,0]=4 828 B4R0.2 C(CCl)CCl D140761 [2,0,0,0,0,0|2,0,0]=4 829 B4R0.2 C(CCl)CI C153543 [2,0,0,0,0,0|2,0,0]=4 830 B4R0.2 C(CF)CBr B303518 [2,0,0,0,0,0|2,0,0]=4 831 B4R0.2 C(CF)CI I184641 [2,0,0,0,0,0|2,0,0]=4 832 B4R0.2 C(CI)CI D139104 [2,0,0,0,0,0|2,0,0]=4 833 B4R0.2 C(CN)C#N A107499 [2,0,0,0,0,0|1,0,1]=4 834 B4R0.2 C(CN)CBr B106915 [2,0,0,0,0,0|1,0,0]=3 835 B4R0.2 C(CN)CCl C102474 [2,0,0,0,0,0|1,0,0]=3 836 B4R0.2 C(CN)CN B151838 [2,0,0,0,0,0|1,0,0]=3 837 B4R0.2 C(CN)CN D154662 [2,0,0,0,0,0|1,0,0]=3 838 B4R0.2 C(CN)CN D155613 [2,0,0,0,0,0|1,0,0]=3 839 B4R0.2 C(CN)CN D155681 [2,0,0,0,0,0|1,0,0]=3 840 B4R0.2 C(CN)CN P103898 [2,0,0,0,0,0|1,0,0]=3 841 B4R0.2 C(CN)CN P492915 [2,0,0,0,0,0|1,0,0]=3 842 B4R0.2 C(CN)CN P494086 [2,0,0,0,0,0|1,0,0]=3 843 B4R0.2 C(CN)CO A106068 [2,0,0,0,0,0|0,0,0]=2 844 B4R0.2 C(CN)CO A106069 [2,0,0,0,0,0|0,0,0]=2 845 B4R0.2 C(CN)CO A151629 [2,0,0,0,0,0|0,0,0]=2 846 B4R0.2 C(CN)CO A299064 [2,0,0,0,0,0|0,0,0]=2 847 B4R0.2 C(CN)CS A476835 [2,0,0,0,0,0|0,1,0]=3 848 B4R0.2 C(CO)C#N H109415 [2,0,0,0,0,0|0,0,2]=4 849 B4R0.2 C(CO)C=O H588118 [2,0,0,0,0,0|1,0,0]=3 850 B4R0.2 C(CO)CBr B108055 [2,0,0,0,0,0|1,0,0]=3 851 B4R0.2 C(CO)CBr B140136 [2,0,0,0,0,0|1,0,0]=3 852 B4R0.2 C(CO)CCl C109471 [2,0,0,0,0,0|1,0,0]=3 853 B4R0.2 C(CO)CF F404475 [2,0,0,0,0,0|1,0,0]=3 854 B4R0.2 C(CO)CI I139105 [2,0,0,0,0,0|1,0,0]=3 855 B4R0.2 C(CO)CO P108206 [2,0,0,0,0,0|1,0,0]=3 856 B4R0.2 C(CO)CO P108207 [2,0,0,0,0,0|1,0,0]=3 857 B4R0.2 C(CO)CO P108208 [2,0,0,0,0,0|1,0,0]=3 858 B4R0.2 C(CO)CO P432773 [2,0,0,0,0,0|1,0,0]=3 859 B4R0.2 C(CO)CS M158215 [2,0,0,0,0,0|1,0,0]=3 860 B4R0.2 C(CO)NN H113414 [2,0,0,0,0,0|1,0,0]=3 861 B4R0.2 C(CON)N A193083 [2,0,0,0,0,0|2,0,0]=4 862 B4R0.2 C(CS)CS P100845 [2,0,0,0,0,0|1,1,0]=4 863 B4R0.2 C=CCCBr B106906 [2,0,0,0,0,0|1,0,1]=4 864 B4R0.2 C=CCCCl C405543 [2,0,0,0,0,0|1,0,1]=4 865 B4R0.2 C=CCCN B167997 [2,0,0,0,0,0|0,0,1]=3 866 B4R0.2 C=CCCO B120318 [2,0,0,0,0,0|1,0,1]=4 867 B4R0.2 C=CCON O159949 [2,0,0,0,0,0|1,0,1]=4 868 B4R0.2 CCCC=O B100299 [2,0,0,0,0,0|0,0,0]=2 869 B4R0.2 CCCC=O B100302 [2,0,0,0,0,0|0,0,0]=2 870 B4R0.2 CCCC=O B305593 [2,0,0,0,0,0|0,0,0]=2 871 B4R0.2 CCCCBr B105250 [2,0,0,0,0,0|1,0,1]=4 872 B4R0.2 CCCCBr B105252 [2,0,0,0,0,0|1,0,1]=4 873 B4R0.2 CCCCBr B105256 [2,0,0,0,0,0|1,0,1]=4 874 B4R0.2 CCCCBr B472078 [2,0,0,0,0,0|1,0,1]=4 875 B4R0.2 CCCCCl C103252 [2,0,0,0,0,0|1,0,1]=4 876 B4R0.2 CCCCCl C103253 [2,0,0,0,0,0|1,0,1]=4 877 B4R0.2 CCCCCl C103255 [2,0,0,0,0,0|1,0,1]=4 878 B4R0.2 CCCCCl C103256 [2,0,0,0,0,0|1,0,1]=4 879 B4R0.2 CCCCCl C118434 [2,0,0,0,0,0|1,0,1]=4 880 B4R0.2 CCCCI I108560 [2,0,0,0,0,0|1,0,1]=4 881 B4R0.2 CCCCN B110356 [2,0,0,0,0,0|0,0,1]=3 882 B4R0.2 CCCCN B110357 [2,0,0,0,0,0|0,0,1]=3 883 B4R0.2 CCCCN B110358 [2,0,0,0,0,0|0,0,1]=3 884 B4R0.2 CCCCN B110359 [2,0,0,0,0,0|0,0,1]=3 885 B4R0.2 CCCCN B152519 [2,0,0,0,0,0|0,0,1]=3 886 B4R0.2 CCCCN B152886 [2,0,0,0,0,0|0,0,1]=3 887 B4R0.2 CCCCN B152948 [2,0,0,0,0,0|0,0,1]=3 888 B4R0.2 CCCCN B491792 [2,0,0,0,0,0|0,0,1]=3 889 B4R0.2 CCCCN B492127 [2,0,0,0,0,0|0,0,1]=3 890 B4R0.2 CCCCN B492132 [2,0,0,0,0,0|0,0,1]=3 891 B4R0.2 CCCCN B492157 [2,0,0,0,0,0|0,0,1]=3 892 B4R0.2 CCCCN B494094 [2,0,0,0,0,0|0,0,1]=3 893 B4R0.2 CCCCO B111569 [2,0,0,0,0,0|0,0,1]=3 894 B4R0.2 CCCCO B111571 [2,0,0,0,0,0|0,0,1]=3 895 B4R0.2 CCCCO B111573 [2,0,0,0,0,0|0,0,1]=3 896 B4R0.2 CCCCO B111575 [2,0,0,0,0,0|0,0,1]=3 897 B4R0.2 CCCCO B111577 [2,0,0,0,0,0|0,0,1]=3 898 B4R0.2 CCCCO B111578 [2,0,0,0,0,0|0,0,1]=3 899 B4R0.2 CCCCO B111580 [2,0,0,0,0,0|0,0,1]=3 900 B4R0.2 CCCCO B111581 [2,0,0,0,0,0|0,0,1]=3 901 B4R0.2 CCCCO B119677 [2,0,0,0,0,0|0,0,1]=3 902 B4R0.2 CCCCO B400251 [2,0,0,0,0,0|0,0,1]=3 903 B4R0.2 CCCCO B433378 [2,0,0,0,0,0|0,0,1]=3 904 B4R0.2 CCCCO B474143 [2,0,0,0,0,0|0,0,1]=3 905 B4R0.2 CCCCO H348242 [2,0,0,0,0,0|0,0,1]=3 906 B4R0.2 CCCCO P340766 [2,0,0,0,0,0|0,0,1]=3 907 B4R0.2 CCCCS B105716 [2,0,0,0,0,0|0,1,1]=4 908 B4R0.2 CCCCS B105717 [2,0,0,0,0,0|0,1,1]=4 909 B4R0.2 CCCC[CH2-] P331063 [2,0,0,0,0,0|1,0,1]=4 910 B4R0.2 CCCC[CH2-] P466408 [2,0,0,0,0,0|1,0,1]=4 911 B4R0.2 CCCC[O-] N335856 [2,0,0,0,0,0|0,0,2]=4 912 B4R0.2 CCCC[O-] T104104 [2,0,0,0,0,0|0,0,2]=4 913 B4R0.2 CCCC[O-] T104105 [2,0,0,0,0,0|0,0,2]=4 914 B4R0.2 CCCC[O-] T304454 [2,0,0,0,0,0|0,0,2]=4 915 B4R0.2 CCCC[O-] T350722 [2,0,0,0,0,0|0,0,2]=4 916 B4R0.2 CCCC[O-] Z106334 [2,0,0,0,0,0|0,0,2]=4 917 B4R0.2 CCCNC M124663 [2,0,0,0,0,0|2,0,0]=4 918 B4R0.2 CCCSC M158417 [2,0,0,0,0,0|2,0,0]=4 919 B4R0.2 CCNC=O N159329 [2,0,0,0,0,0|1,0,0]=3 920 B4R0.2 CCOC=C P475896 [2,0,0,0,0,0|2,0,0]=4 921 B4R0.2 CCOC=O E110412 [2,0,0,0,0,0|1,0,0]=3 922 B4R0.2 CCOC=O E110414 [2,0,0,0,0,0|1,0,0]=3 923 B4R0.2 CCOC=O E110415 [2,0,0,0,0,0|1,0,0]=3 924 B4R0.2 CCOC=O E110417 [2,0,0,0,0,0|1,0,0]=3 925 B4R0.2 CCOC=O E139940 [2,0,0,0,0,0|1,0,0]=3 926 B4R0.2 CCSC=C E156347 [2,0,0,0,0,0|2,0,0]=4 927 B4R0.2 CNCC=C I136680 [2,0,0,0,0,0|2,0,0]=4 928 B4R0.2 CNCCN N159347 [2,0,0,0,0,0|1,0,1]=4 929 B4R0.2 CNCCO M106448 [2,0,0,0,0,0|1,0,1]=4 930 B4R0.2 CNCCO M589702 [2,0,0,0,0,0|1,0,1]=4 931 B4R0.2 COCC=C A135232 [2,0,0,0,0,0|2,0,0]=4 932 B4R0.2 COCCN M138018 [2,0,0,0,0,0|1,0,1]=4 933 B4R0.2 COCCN M404735 [2,0,0,0,0,0|1,0,1]=4 934 B4R0.2 COCCN M493557 [2,0,0,0,0,0|1,0,1]=4 935 B4R0.2 COCCO M102852 [2,0,0,0,0,0|1,0,1]=4 936 B4R0.2 COCCO M102853 [2,0,0,0,0,0|1,0,1]=4 937 B4R0.2 COCCO M102854 [2,0,0,0,0,0|1,0,1]=4 938 B4R0.2 COCCO M102855 [2,0,0,0,0,0|1,0,1]=4 939 B4R0.2 COCCO M102856 [2,0,0,0,0,0|1,0,1]=4 940 B4R0.2 COCCO M102857 [2,0,0,0,0,0|1,0,1]=4 941 B4R0.2 COCCO M102858 [2,0,0,0,0,0|1,0,1]=4 942 B4R0.2 COCCO M119725 [2,0,0,0,0,0|1,0,1]=4 943 B4R0.2 CSCC=C A101060 [2,0,0,0,0,0|2,0,0]=4 944 B4R0.2 CSCCN M113671 [2,0,0,0,0,0|1,0,1]=4 945 B4R0.2 CSCCN M194629 [2,0,0,0,0,0|1,0,1]=4 946 B4R0.2 CSCCO M138946 [2,0,0,0,0,0|1,0,1]=4 947 B6R0.1 CC#CC(=O)OC M158860 [1,1,0,0,0,0|0,0,2]=4 948 B6R0.1 CC=CC(=O)OC M109486 [1,1,0,0,0,0|0,0,2]=4 949 B6R0.1 CCC(=O)OCC E103457 [1,1,0,0,0,0|2,0,0]=4 950 B6R0.1 CCC(=O)OCC E103458 [1,1,0,0,0,0|2,0,0]=4 951 B6R0.1 CCC(=O)OCC E103459 [1,1,0,0,0,0|2,0,0]=4 952 B6R0.1 CCC(=O)OCC E103460 [1,1,0,0,0,0|2,0,0]=4 953 B6R0.1 CCC(=O)OCC E278958 [1,1,0,0,0,0|2,0,0]=4 954 B6R0.1 CCC(=O)SCC S133123 [1,1,0,0,0,0|2,0,0]=4 955 B6R0.1 CCC=C(C)C=O M102187 [1,1,0,0,0,0|1,0,1]=4 956 B6R0.1 CCCC(=O)CC H106710 [1,1,0,0,0,0|1,0,0]=3 957 B6R0.1 CCCC(=O)NN B183968 [1,1,0,0,0,0|1,0,0]=3 958 B6R0.1 CCCC(=O)OC M100038 [1,1,0,0,0,0|0,0,0]=2 959 B6R0.1 CCCC(=O)OC M100039 [1,1,0,0,0,0|0,0,0]=2 960 B6R0.1 CCCC(=O)OC M100040 [1,1,0,0,0,0|0,0,0]=2 961 B6R0.1 CCCC(=O)SC M102997 [1,1,0,0,0,0|0,1,0]=3 962 B6R0.1 CCCC(C#C)O H101580 [1,1,0,0,0,0|1,0,1]=4 963 B6R0.1 CCCC(C)C=O M158691 [1,1,0,0,0,0|1,0,1]=4 964 B6R0.1 CCCC(C)CO M113625 [1,1,0,0,0,0|1,0,1]=4 965 B6R0.1 CCCC(C=C)O H157268 [1,1,0,0,0,0|1,0,1]=4 966 B6R0.1 CCCC(CC)O H133955 [1,1,0,0,0,0|1,0,1]=4 967 B6R0.1 CCCC(CO)N D333561 [1,1,0,0,0,0|1,0,1]=4 968 B6R0.1 CCCC(CO)N I168777 [1,1,0,0,0,0|1,0,1]=4 969 B6R0.1 CCCC(CO)O P108068 [1,1,0,0,0,0|0,0,2]=4 970 B6R0.1 CCNC(=O)C=C N136947 [1,1,0,0,0,0|2,0,0]=4 971 B6R0.1 CCOC(=NO)C E124202 [1,1,0,0,0,0|2,0,0]=4 972 B6R0.1 CCOC(=O)C#C E107738 [1,1,0,0,0,0|2,0,0]=4 973 B6R0.1 CCOC(=O)C#C E357742 [1,1,0,0,0,0|2,0,0]=4 974 B6R0.1 CCOC(=O)C#N E106582 [1,1,0,0,0,0|2,0,0]=4 975 B6R0.1 CCOC(=O)C#N E298724 [1,1,0,0,0,0|2,0,0]=4 976 B6R0.1 CCOC(=O)C=C E112943 [1,1,0,0,0,0|2,0,0]=4 977 B6R0.1 CCOC(=O)C=C E112944 [1,1,0,0,0,0|2,0,0]=4 978 B6R0.1 CCOC(=O)C=C E112945 [1,1,0,0,0,0|2,0,0]=4 979 B6R0.1 CCOC(=O)C=C E465763 [1,1,0,0,0,0|2,0,0]=4 980 B6R0.1 CCOC(=O)C=O E106246 [1,1,0,0,0,0|1,0,1]=4 981 B6R0.1 CCOC(=O)CBr E106090 [1,1,0,0,0,0|2,0,0]=4 982 B6R0.1 CCOC(=O)CCl E105166 [1,1,0,0,0,0|2,0,0]=4 983 B6R0.1 CCOC(=O)CCl E105167 [1,1,0,0,0,0|2,0,0]=4 984 B6R0.1 CCOC(=O)CF E107563 [1,1,0,0,0,0|2,0,0]=4 985 B6R0.1 CCOC(=O)CN G105477 [1,1,0,0,0,0|2,0,0]=4 986 B6R0.1 CCOC(=O)CO E101730 [1,1,0,0,0,0|1,0,0]=3 987 B6R0.1 CCOC(=O)CS E109439 [1,1,0,0,0,0|1,1,0]=4 988 B6R0.1 CCOC(=O)NN E133700 [1,1,0,0,0,0|2,0,0]=4 989 B6R0.1 CCOC(=O)OC E110111 [1,1,0,0,0,0|1,0,0]=3 990 B6R0.1 CCOC(=O)OC E433135 [1,1,0,0,0,0|1,0,0]=3 991 B6R0.1 COC(=O)CC#N M110112 [1,1,0,0,0,0|0,0,2]=4 992 B6R0.1 COC(=O)CC=C M341924 [1,1,0,0,0,0|0,0,2]=4 993 B6R0.1 COC(=O)CCBr M158830 [1,1,0,0,0,0|1,0,0]=3 994 B6R0.1 COC(=O)CCN A104532 [1,1,0,0,0,0|0,0,0]=2 995 B6R0.1 COC(=O)CCO D304149 [1,1,0,0,0,0|1,0,0]=3 996 B6R0.1 COC(=O)CCS M107600 [1,1,0,0,0,0|1,0,0]=3 997 B6R0.1 COC(=O)CSC M120419 [1,1,0,0,0,0|1,0,0]=3 998 B6R0.1 COC(=O)C[N+]#[C-] M157837 [1,1,0,0,0,0|1,0,1]=4 999 B6R0.1 COC(=O)OCCl C347908 [1,1,0,0,0,0|2,0,0]=4 1000 B6R0.1 COCC(=O)OC M106398 [1,1,0,0,0,0|1,0,0]=3 1001 B6R0.2 B(CC(C)C)(O)O M120307 [1,1,0,0,0,0|1,0,1]=4 1002 B6R0.2 B(CC(C)C)(O)O M299536 [1,1,0,0,0,0|1,0,1]=4 1003 B6R0.2 C(C(=N)N)C(=O)N A136566 [1,1,0,0,0,0|1,0,1]=4 1004 B6R0.2 C(C(=O)N)C(=O)N M104019 [1,1,0,0,0,0|1,0,1]=4 1005 B6R0.2 C(C(=O)N)C(=O)O M168857 [1,1,0,0,0,0|0,0,1]=3 1006 B6R0.2 C(C(=O)O)C(=O)O M103513 [1,1,0,0,0,0|1,0,1]=4 1007 B6R0.2 C(C(=O)O)C(=O)O M103514 [1,1,0,0,0,0|1,0,1]=4 1008 B6R0.2 C(C(=O)O)C(=O)O M305754 [1,1,0,0,0,0|1,0,1]=4 1009 B6R0.2 C(C(=O)O)C(=O)O M421547 [1,1,0,0,0,0|1,0,1]=4 1010 B6R0.2 CC(=CC(=O)O)C D102028 [1,1,0,0,0,0|0,0,2]=4 1011 B6R0.2 CC(=O)CC(=O)C A110366 [1,1,0,0,0,0|1,0,1]=4 1012 B6R0.2 CC(=O)CC(=O)C A110367 [1,1,0,0,0,0|1,0,1]=4 1013 B6R0.2 CC(=O)CC(=O)C A110370 [1,1,0,0,0,0|1,0,1]=4 1014 B6R0.2 CC(=O)CC(=O)N A194123 [1,1,0,0,0,0|1,0,1]=4 1015 B6R0.2 CC(=O)CC(=O)[O-] L102932 [1,1,0,0,0,0|0,0,2]=4 1016 B6R0.2 CC(=O)CC(=O)[O-] L490061 [1,1,0,0,0,0|0,0,2]=4 1017 B6R0.2 CC(=O)CN(C)C D167514 [1,1,0,0,0,0|2,0,0]=4 1018 B6R0.2 CC(C)CC(=O)C M108736 [1,1,0,0,0,0|1,0,0]=3 1019 B6R0.2 CC(C)CC(=O)C M108737 [1,1,0,0,0,0|1,0,0]=3 1020 B6R0.2 CC(C)CC(=O)C M108738 [1,1,0,0,0,0|1,0,0]=3 1021 B6R0.2 CC(C)CC(=O)C M108740 [1,1,0,0,0,0|1,0,0]=3 1022 B6R0.2 CC(C)CC(=O)C M108741 [1,1,0,0,0,0|1,0,0]=3 1023 B6R0.2 CC(C)CC(=O)C M492092 [1,1,0,0,0,0|1,0,0]=3 1024 B6R0.2 CC(C)CC(=O)Cl I157679 [1,1,0,0,0,0|1,0,0]=3 1025 B6R0.2 CC(C)CC(=O)O I108280 [1,1,0,0,0,0|0,0,0]=2 1026 B6R0.2 CC(C)CC(=O)O I108281 [1,1,0,0,0,0|0,0,0]=2 1027 B6R0.2 CC(C)CC(=O)O I424338 [1,1,0,0,0,0|0,0,0]=2 1028 B6R0.2 CC(C)CC(=O)O I432771 [1,1,0,0,0,0|0,0,0]=2 1029 B6R0.2 CC(C)CC(C)O M104491 [1,1,0,0,0,0|1,0,1]=4 1030 B6R0.2 CC(C)NC(=O)C N586389 [1,1,0,0,0,0|2,0,0]=4 1031 B6R0.2 CC(C)OC(=O)C I103453 [1,1,0,0,0,0|2,0,0]=4 1032 B6R0.2 CC(C)OC(=O)C I103454 [1,1,0,0,0,0|2,0,0]=4 1033 B6R0.2 CC(C)OC(=O)C I103455 [1,1,0,0,0,0|2,0,0]=4 1034 B6R0.2 CC(C)OC(=O)N I157610 [1,1,0,0,0,0|2,0,0]=4 1035 B6R0.2 CC(CC(=O)O)Br B169132 [1,1,0,0,0,0|0,0,0]=2 1036 B6R0.2 CC(CC(=O)O)Cl C153466 [1,1,0,0,0,0|0,0,0]=2 1037 B6R0.2 CC(CC(=O)O)N A100948 [1,1,0,0,0,0|0,0,0]=2 1038 B6R0.2 CC(CC(=O)O)N H117041 [1,1,0,0,0,0|0,0,0]=2 1039 B6R0.2 CC(CC(=O)O)N R184127 [1,1,0,0,0,0|0,0,0]=2 1040 B6R0.2 CC(CC(=O)O)N S193074 [1,1,0,0,0,0|0,0,0]=2 1041 B6R0.2 CC(CC(=O)O)O P347707 [1,1,0,0,0,0|0,0,0]=2 1042 B6R0.2 CC(CC(=O)O)O R304188 [1,1,0,0,0,0|0,0,0]=2 1043 B6R0.2 CC(CC(=O)O)O R425172 [1,1,0,0,0,0|0,0,0]=2 1044 B6R0.2 CC(CC(=O)O)O S161108 [1,1,0,0,0,0|0,0,0]=2 1045 B6R0.2 CC(CC(=O)O)O S194215 [1,1,0,0,0,0|0,0,0]=2 1046 B6R0.2 CC(CC(=O)[O-])O B301134 [1,1,0,0,0,0|0,0,1]=3 1047 B6R0.2 CC(CC(=O)[O-])O H121822 [1,1,0,0,0,0|0,0,1]=3 1048 B6R0.2 CC(CC(=O)[O-])O X131756 [1,1,0,0,0,0|0,0,1]=3 1049 B6R0.2 CC(CC(C)O)O R160958 [1,1,0,0,0,0|1,0,1]=4 1050 B6R0.2 CC(CC(C)O)O S161001 [1,1,0,0,0,0|1,0,1]=4 1051 B6R0.2 CC(OC(=O)C)Br B303662 [1,1,0,0,0,0|2,0,0]=4 1052 B6R0.2 CC(OC(=O)Cl)Cl C100655 [1,1,0,0,0,0|2,0,0]=4 1053 B6R0.2 CN(C)CC(=O)O D115675 [1,1,0,0,0,0|1,0,0]=3 1054 B6R0.2 CN(C)CC(=O)O N159831 [1,1,0,0,0,0|1,0,0]=3 1055 B6R0.2 CN(C)CC(=O)O N420632 [1,1,0,0,0,0|1,0,0]=3 1056 B6R0.3 B(C(C)CC)(O)O B120306 [1,1,0,0,0,0|1,0,1]=4 1057 B6R0.3 C(C(=O)C(=O)O)Br B120321 [1,1,0,0,0,0|1,0,1]=4 1058 B6R0.3 C(C(=O)C(=O)O)O H276063 [1,1,0,0,0,0|1,0,1]=4 1059 B6R0.3 C(C(C(=O)Cl)Br)Br D154492 [1,1,0,0,0,0|2,0,0]=4 1060 B6R0.3 C(C(C(=O)Cl)Cl)Cl D300835 [1,1,0,0,0,0|2,0,0]=4 1061 B6R0.3 C(C(C(=O)N)Br)Br D122847 [1,1,0,0,0,0|2,0,0]=4 1062 B6R0.3 C(C(C(=O)N)N)O S134102 [1,1,0,0,0,0|2,0,0]=4 1063 B6R0.3 C(C(C(=O)O)Br)Br D155446 [1,1,0,0,0,0|1,0,0]=3 1064 B6R0.3 C(C(C(=O)O)N)Cl C153754 [1,1,0,0,0,0|1,0,0]=3 1065 B6R0.3 C(C(C(=O)O)N)Cl C341469 [1,1,0,0,0,0|1,0,0]=3 1066 B6R0.3 C(C(C(=O)O)N)N D102444 [1,1,0,0,0,0|0,0,0]=2 1067 B6R0.3 C(C(C(=O)O)N)N D102445 [1,1,0,0,0,0|0,0,0]=2 1068 B6R0.3 C(C(C(=O)O)N)N O105987 [1,1,0,0,0,0|0,0,0]=2 1069 B6R0.3 C(C(C(=O)O)N)N S161147 [1,1,0,0,0,0|0,0,0]=2 1070 B6R0.3 C(C(C(=O)O)N)O D423121 [1,1,0,0,0,0|1,0,0]=3 1071 B6R0.3 C(C(C(=O)O)N)O D423225 [1,1,0,0,0,0|1,0,0]=3 1072 B6R0.3 C(C(C(=O)O)N)O L424779 [1,1,0,0,0,0|1,0,0]=3 1073 B6R0.3 C(C(C(=O)O)N)O L476400 [1,1,0,0,0,0|1,0,0]=3 1074 B6R0.3 C(C(C(=O)O)N)O S103483 [1,1,0,0,0,0|1,0,0]=3 1075 B6R0.3 C(C(C(=O)O)N)O S105977 [1,1,0,0,0,0|1,0,0]=3 1076 B6R0.3 C(C(C(=O)O)N)O S108219 [1,1,0,0,0,0|1,0,0]=3 1077 B6R0.3 C(C(C(=O)O)N)O S118658 [1,1,0,0,0,0|1,0,0]=3 1078 B6R0.3 C(C(C(=O)O)N)O S137887 [1,1,0,0,0,0|1,0,0]=3 1079 B6R0.3 C(C(C(=O)O)N)O S137888 [1,1,0,0,0,0|1,0,0]=3 1080 B6R0.3 C(C(C(=O)O)N)O S432938 [1,1,0,0,0,0|1,0,0]=3 1081 B6R0.3 C(C(C(=O)O)N)S C108237 [1,1,0,0,0,0|1,0,0]=3 1082 B6R0.3 C(C(C(=O)O)N)S C108238 [1,1,0,0,0,0|1,0,0]=3 1083 B6R0.3 C(C(C(=O)O)N)S C110184 [1,1,0,0,0,0|1,0,0]=3 1084 B6R0.3 C(C(C(=O)O)N)S C110436 [1,1,0,0,0,0|1,0,0]=3 1085 B6R0.3 C(C(C(=O)O)N)S C110437 [1,1,0,0,0,0|1,0,0]=3 1086 B6R0.3 C(C(C(=O)O)N)S C113143 [1,1,0,0,0,0|1,0,0]=3 1087 B6R0.3 C(C(C(=O)O)N)S C118575 [1,1,0,0,0,0|1,0,0]=3 1088 B6R0.3 C(C(C(=O)O)N)S D304972 [1,1,0,0,0,0|1,0,0]=3 1089 B6R0.3 C(C(C(=O)O)N)S L424532 [1,1,0,0,0,0|1,0,0]=3 1090 B6R0.3 C(C(C(=O)O)N)S L424534 [1,1,0,0,0,0|1,0,0]=3 1091 B6R0.3 C(C(C(=O)O)N)S L432833 [1,1,0,0,0,0|1,0,0]=3 1092 B6R0.3 C(C(C(=O)O)N)S S161428 [1,1,0,0,0,0|1,0,0]=3 1093 B6R0.3 C(C(C(=O)O)N)S S588042 [1,1,0,0,0,0|1,0,0]=3 1094 B6R0.3 C(C(C(=O)O)O)N I123583 [1,1,0,0,0,0|0,0,0]=2 1095 B6R0.3 C(C(C(=O)O)O)N S137278 [1,1,0,0,0,0|0,0,0]=2 1096 B6R0.3 C(C(C(=O)O)O)O D278734 [1,1,0,0,0,0|1,0,0]=3 1097 B6R0.3 C=C(CBr)C(=O)O B137347 [1,1,0,0,0,0|1,0,1]=4 1098 B6R0.3 CC(C(=O)O)NC I133832 [1,1,0,0,0,0|1,0,0]=3 1099 B6R0.3 CC(C(=O)O)NC I135858 [1,1,0,0,0,0|1,0,0]=3 1100 B6R0.3 CC(C(=O)O)NC N303350 [1,1,0,0,0,0|1,0,0]=3 1101 B6R0.3 CC(C(=O)O)OC M193402 [1,1,0,0,0,0|1,0,0]=3 1102 B6R0.3 CC(C(=O)O)OC P477810 [1,1,0,0,0,0|1,0,0]=3 1103 B6R0.3 CC(C=C)C(=O)O M404731 [1,1,0,0,0,0|0,0,2]=4 1104 B6R0.3 CC(CBr)C(=O)O B135992 [1,1,0,0,0,0|1,0,0]=3 1105 B6R0.3 CC(CN)C(=O)O D131745 [1,1,0,0,0,0|0,0,0]=2 1106 B6R0.3 CC(CN)C(=O)O R340811 [1,1,0,0,0,0|0,0,0]=2 1107 B6R0.3 CC(CN)C(=O)O S340803 [1,1,0,0,0,0|0,0,0]=2 1108 B6R0.3 CC(CO)C(=O)O R343446 [1,1,0,0,0,0|1,0,0]=3 1109 B6R0.3 CC(CS)C(=O)O M158216 [1,1,0,0,0,0|1,0,0]=3 1110 B6R0.3 CC=C(C)C(=O)O B137277 [1,1,0,0,0,0|0,0,2]=4 1111 B6R0.3 CC=C(C)C(=O)O T107164 [1,1,0,0,0,0|0,0,2]=4 1112 B6R0.3 CCC(=C)C(=O)O E477290 [1,1,0,0,0,0|0,0,1]=3 1113 B6R0.3 CCC(=O)C(=O)C P106293 [1,1,0,0,0,0|1,0,1]=4 1114 B6R0.3 CCC(=O)C(=O)O K106253 [1,1,0,0,0,0|0,0,1]=3 1115 B6R0.3 CCC(=O)C(=O)[O-] S161412 [1,1,0,0,0,0|0,0,2]=4 1116 B6R0.3 CCC(C(=O)Br)Br B135808 [1,1,0,0,0,0|1,0,0]=3 1117 B6R0.3 CCC(C(=O)C)S M102973 [1,1,0,0,0,0|1,0,0]=3 1118 B6R0.3 CCC(C(=O)Cl)Br B192121 [1,1,0,0,0,0|1,0,0]=3 1119 B6R0.3 CCC(C(=O)Cl)Cl C139250 [1,1,0,0,0,0|1,0,0]=3 1120 B6R0.3 CCC(C(=O)N)Cl B301389 [1,1,0,0,0,0|1,0,0]=3 1121 B6R0.3 CCC(C(=O)N)N A119770 [1,1,0,0,0,0|1,0,0]=3 1122 B6R0.3 CCC(C(=O)N)N A124384 [1,1,0,0,0,0|1,0,0]=3 1123 B6R0.3 CCC(C(=O)O)Br B108037 [1,1,0,0,0,0|0,0,0]=2 1124 B6R0.3 CCC(C(=O)O)Cl C153465 [1,1,0,0,0,0|0,0,0]=2 1125 B6R0.3 CCC(C(=O)O)Cl S161173 [1,1,0,0,0,0|0,0,0]=2 1126 B6R0.3 CCC(C(=O)O)N A109788 [1,1,0,0,0,0|0,0,0]=2 1127 B6R0.3 CCC(C(=O)O)N A111241 [1,1,0,0,0,0|0,0,0]=2 1128 B6R0.3 CCC(C(=O)O)N A111260 [1,1,0,0,0,0|0,0,0]=2 1129 B6R0.3 CCC(C(=O)O)N A414642 [1,1,0,0,0,0|0,0,0]=2 1130 B6R0.3 CCC(C(=O)O)N D422924 [1,1,0,0,0,0|0,0,0]=2 1131 B6R0.3 CCC(C(=O)O)O D298806 [1,1,0,0,0,0|0,0,0]=2 1132 B6R0.3 CCC(C(=O)O)O S192800 [1,1,0,0,0,0|0,0,0]=2 1133 B6R0.3 CCC(C(=O)[O-])O H101414 [1,1,0,0,0,0|0,0,1]=3 1134 B6R0.3 CCC(C)C(=O)C M158800 [1,1,0,0,0,0|1,0,0]=3 1135 B6R0.3 CCC(C)C(=O)O I167890 [1,1,0,0,0,0|0,0,0]=2 1136 B6R0.3 CCC(C)C(=O)O M107377 [1,1,0,0,0,0|0,0,0]=2 1137 B6R0.3 CCN(C)C(=O)C N193140 [1,1,0,0,0,0|2,0,0]=4 1138 B6R0.3 CCN(C)C(=O)Cl N159123 [1,1,0,0,0,0|2,0,0]=4 1139 B6R0.3 CNC(=O)C(=O)O M588605 [1,1,0,0,0,0|1,0,1]=4 1140 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [1,1,0,0,0,0|1,0,0]=3 1141 B6R0.5 C(CCl)P(=O)(O)O E113521 [1,1,0,0,0,0|2,0,0]=4 1142 B6R0.5 C(CP(=O)(O)O)N A168405 [1,1,0,0,0,0|1,0,0]=3 1143 B6R0.5 C(CS(=O)(=O)N)N A187897 [1,1,0,0,0,0|1,0,1]=4 1144 B6R0.5 C(CS(=O)(=O)O)N T103829 [1,1,0,0,0,0|1,0,0]=3 1145 B6R0.5 C(CS(=O)(=O)O)N T103831 [1,1,0,0,0,0|1,0,0]=3 1146 B6R0.5 C(CS(=O)(=O)O)N T420524 [1,1,0,0,0,0|1,0,0]=3 1147 B6R0.5 C(CS(=O)(=O)O)N T474176 [1,1,0,0,0,0|1,0,0]=3 1148 B6R0.5 C(CS(=O)(=O)O)O H113068 [1,1,0,0,0,0|2,0,0]=4 1149 B6R0.5 C(CS(=O)(=O)O)S S304898 [1,1,0,0,0,0|2,0,0]=4 1150 B6R0.5 CC(C)(CCN)O A483316 [1,1,0,0,0,0|1,0,1]=4 1151 B6R0.5 CCCS(=O)(=O)Cl P137934 [1,1,0,0,0,0|1,0,1]=4 1152 B6R0.5 CCCS(=O)(=O)O P477137 [1,1,0,0,0,0|1,0,0]=3 1153 B6R0.5 CCCS(=O)(=O)[O-] S120540 [1,1,0,0,0,0|1,0,1]=4 1154 B6R0.5 CCCS(=O)(=O)[O-] S161104 [1,1,0,0,0,0|1,0,1]=4 1155 B6R0.5 CCCS(=O)(=O)[O-] S432583 [1,1,0,0,0,0|1,0,1]=4 1156 B6R0.5 CS(=O)(=O)CCN A130035 [1,1,0,0,0,0|1,0,1]=4 1157 B6R0.5 CS(=O)(=O)CCN M589262 [1,1,0,0,0,0|1,0,1]=4 1158 B6R0.6 C#CCCCCN H586162 [1,1,0,0,0,0|1,0,1]=4 1159 B6R0.6 C#CCCCCO H107735 [1,1,0,0,0,0|1,0,1]=4 1160 B6R0.6 C#CCOCCN P404874 [1,1,0,0,0,0|1,0,1]=4 1161 B6R0.6 C(CC=O)CC=O G105905 [1,1,0,0,0,0|1,0,0]=3 1162 B6R0.6 C(CC=O)CC=O G105906 [1,1,0,0,0,0|1,0,0]=3 1163 B6R0.6 C(CC=O)CC=O G105907 [1,1,0,0,0,0|1,0,0]=3 1164 B6R0.6 C(CC=O)CC=O G105908 [1,1,0,0,0,0|1,0,0]=3 1165 B6R0.6 C(CC=O)CC=O G359127 [1,1,0,0,0,0|1,0,0]=3 1166 B6R0.6 C(CC=O)CC=O G598815 [1,1,0,0,0,0|1,0,0]=3 1167 B6R0.6 C(CC=O)CC=O G639768 [1,1,0,0,0,0|1,0,0]=3 1168 B6R0.6 C(CCN)CCN D111805 [1,1,0,0,0,0|1,0,1]=4 1169 B6R0.6 C(CCN)CCN D121817 [1,1,0,0,0,0|1,0,1]=4 1170 B6R0.6 C(CCN)CCN D283638 [1,1,0,0,0,0|1,0,1]=4 1171 B6R0.6 C(CCN)CCN D421724 [1,1,0,0,0,0|1,0,1]=4 1172 B6R0.6 C(CCN)CCO A107210 [1,1,0,0,0,0|0,0,1]=3 1173 B6R0.6 C(CCN)CCO A565375 [1,1,0,0,0,0|0,0,1]=3 1174 B6R0.6 C(CCO)CCBr B135090 [1,1,0,0,0,0|1,0,1]=4 1175 B6R0.6 C(CCO)CCCl C153897 [1,1,0,0,0,0|1,0,1]=4 1176 B6R0.6 C(CCO)CCO P105588 [1,1,0,0,0,0|1,0,1]=4 1177 B6R0.6 C(CN)CN=[N+]=[N-] A151380 [1,1,0,0,0,0|2,0,0]=4 1178 B6R0.6 C(CN=C=O)CCl C107897 [1,1,0,0,0,0|1,0,1]=4 1179 B6R0.6 C(CNCCN)N D100056 [1,1,0,0,0,0|1,0,1]=4 1180 B6R0.6 C(CNCCN)N D100058 [1,1,0,0,0,0|1,0,1]=4 1181 B6R0.6 C(CNCCN)N D100059 [1,1,0,0,0,0|1,0,1]=4 1182 B6R0.6 C(CNCCN)N D301794 [1,1,0,0,0,0|1,0,1]=4 1183 B6R0.6 C(CNCCO)N H100512 [1,1,0,0,0,0|0,0,1]=3 1184 B6R0.6 C(CNCCO)N H100513 [1,1,0,0,0,0|0,0,1]=3 1185 B6R0.6 C(CO)NCCCl C588449 [1,1,0,0,0,0|1,0,1]=4 1186 B6R0.6 C(CO)NCCO D112357 [1,1,0,0,0,0|1,0,1]=4 1187 B6R0.6 C(CO)NCCO D112358 [1,1,0,0,0,0|1,0,1]=4 1188 B6R0.6 C(CO)NCCO D112360 [1,1,0,0,0,0|1,0,1]=4 1189 B6R0.6 C(CO)NCCO D112361 [1,1,0,0,0,0|1,0,1]=4 1190 B6R0.6 C(CO)NCCO D155708 [1,1,0,0,0,0|1,0,1]=4 1191 B6R0.6 C(CO)NCCO D301793 [1,1,0,0,0,0|1,0,1]=4 1192 B6R0.6 C(COCCBr)O B339979 [1,1,0,0,0,0|1,0,1]=4 1193 B6R0.6 C(COCCCl)O C118686 [1,1,0,0,0,0|1,0,1]=4 1194 B6R0.6 C(COCCI)O I586943 [1,1,0,0,0,0|1,0,1]=4 1195 B6R0.6 C(COCCN)N O159975 [1,1,0,0,0,0|1,0,1]=4 1196 B6R0.6 C(COCCN)N O160013 [1,1,0,0,0,0|1,0,1]=4 1197 B6R0.6 C(COCCO)N A109910 [1,1,0,0,0,0|0,0,1]=3 1198 B6R0.6 C(COCCO)N A301832 [1,1,0,0,0,0|0,0,1]=3 1199 B6R0.6 C(COCCO)O D110831 [1,1,0,0,0,0|1,0,1]=4 1200 B6R0.6 C(COCCO)O D110832 [1,1,0,0,0,0|1,0,1]=4 1201 B6R0.6 C(COCCO)O D110833 [1,1,0,0,0,0|1,0,1]=4 1202 B6R0.6 C(COCCO)O D110834 [1,1,0,0,0,0|1,0,1]=4 1203 B6R0.6 C(COCCO)O D476199 [1,1,0,0,0,0|1,0,1]=4 1204 B6R0.6 C(CON)CON O340897 [1,1,0,0,0,0|1,0,1]=4 1205 B6R0.6 C=CCCCC#N H157042 [1,1,0,0,0,0|1,0,1]=4 1206 B6R0.6 C=CCCCC=C H157269 [1,1,0,0,0,0|2,0,0]=4 1207 B6R0.6 C=CCCCCBr B122541 [1,1,0,0,0,0|2,0,0]=4 1208 B6R0.6 C=CCCCCCl C115790 [1,1,0,0,0,0|2,0,0]=4 1209 B6R0.6 C=CCCCCO H113637 [1,1,0,0,0,0|1,0,1]=4 1210 B6R0.6 C=CCOCCO A303300 [1,1,0,0,0,0|2,0,0]=4 1211 B6R0.6 C=CCOCCO A303301 [1,1,0,0,0,0|2,0,0]=4 1212 B6R0.6 C=CCOCCO E156080 [1,1,0,0,0,0|2,0,0]=4 1213 B6R0.6 CC=CCCCO H300983 [1,1,0,0,0,0|2,0,0]=4 1214 B6R0.6 CCCC=CC=O H107633 [1,1,0,0,0,0|1,0,1]=4 1215 B6R0.6 CCCC=CC=O T425385 [1,1,0,0,0,0|1,0,1]=4 1216 B6R0.6 CCCC=CCO C153482 [1,1,0,0,0,0|1,0,1]=4 1217 B6R0.6 CCCC=CCO H102077 [1,1,0,0,0,0|1,0,1]=4 1218 B6R0.6 CCCCCC=C H110653 [1,1,0,0,0,0|2,0,0]=4 1219 B6R0.6 CCCCCC=C H110654 [1,1,0,0,0,0|2,0,0]=4 1220 B6R0.6 CCCCCC=C H110655 [1,1,0,0,0,0|2,0,0]=4 1221 B6R0.6 CCCCCC=O C109199 [1,1,0,0,0,0|1,0,0]=3 1222 B6R0.6 CCCCCC=O C109200 [1,1,0,0,0,0|1,0,0]=3 1223 B6R0.6 CCCCCCN H105333 [1,1,0,0,0,0|1,0,1]=4 1224 B6R0.6 CCCCCCN H157035 [1,1,0,0,0,0|1,0,1]=4 1225 B6R0.6 CCCCCCN H292813 [1,1,0,0,0,0|1,0,1]=4 1226 B6R0.6 CCCCCCN H491868 [1,1,0,0,0,0|1,0,1]=4 1227 B6R0.6 CCCCCCO H103420 [1,1,0,0,0,0|1,0,1]=4 1228 B6R0.6 CCCCCCO H103421 [1,1,0,0,0,0|1,0,1]=4 1229 B6R0.6 CCCCCCO H103422 [1,1,0,0,0,0|1,0,1]=4 1230 B6R0.6 CCCCCCO H103423 [1,1,0,0,0,0|1,0,1]=4 1231 B6R0.6 CCCCCCO H119678 [1,1,0,0,0,0|1,0,1]=4 1232 B6R0.6 CCCCCNC M124210 [1,1,0,0,0,0|1,0,1]=4 1233 B6R0.6 CCCCOC=C B123186 [1,1,0,0,0,0|2,0,0]=4 1234 B6R0.6 CCCCOC=C B123187 [1,1,0,0,0,0|2,0,0]=4 1235 B6R0.6 CCCCOC=O B109260 [1,1,0,0,0,0|1,0,0]=3 1236 B6R0.6 CCCCOC=O B109261 [1,1,0,0,0,0|1,0,0]=3 1237 B6R0.6 CCCCON=O B134686 [1,1,0,0,0,0|2,0,0]=4 1238 B6R0.6 CCCNCCN N336391 [1,1,0,0,0,0|1,0,1]=4 1239 B6R0.6 CCCOCCN P160362 [1,1,0,0,0,0|1,0,1]=4 1240 B6R0.6 CCCOCCO P107659 [1,1,0,0,0,0|1,0,1]=4 1241 B6R0.6 CCCOCCO P299319 [1,1,0,0,0,0|1,0,1]=4 1242 B6R0.6 CCCSCC=C A135608 [1,1,0,0,0,0|2,0,0]=4 1243 B6R0.6 CCNCCCO E300231 [1,1,0,0,0,0|1,0,1]=4 1244 B6R0.6 CCOCCCN E156297 [1,1,0,0,0,0|1,0,1]=4 1245 B6R0.6 CCOCCCO E108059 [1,1,0,0,0,0|1,0,1]=4 1246 B6R0.6 CCSCCCO E300079 [1,1,0,0,0,0|1,0,1]=4 1247 B6R0.6 CNCCCCO M193351 [1,1,0,0,0,0|0,0,1]=3 1248 B6R0.6 CNCCCNC D124206 [1,1,0,0,0,0|2,0,0]=4 1249 B6R0.6 COCCCCBr B152834 [1,1,0,0,0,0|1,0,1]=4 1250 B6R0.6 COCCCCO B152046 [1,1,0,0,0,0|1,0,1]=4 1251 B6R0.6 CSCCCCO M468928 [1,1,0,0,0,0|1,0,1]=4 1252 B8R0.2 C(C(C(C(=O)[O-])O)O)O M195037 [0,2,0,0,0,0|1,0,1]=4 1253 B8R0.2 C(C(C(C(=O)[O-])O)O)O P344339 [0,2,0,0,0,0|1,0,1]=4 1254 B8R0.2 C(C(C(C(=O)[O-])O)O)O T107895 [0,2,0,0,0,0|1,0,1]=4 1255 B8R0.2 CC(C(C(=O)O)N)OC M105982 [0,2,0,0,0,0|2,0,0]=4 1256 B8R0.2 CCC(C)C(=O)C(=O)O M158380 [0,2,0,0,0,0|1,0,1]=4 1257 B8R0.2 CCC(C)C(C(=O)N)N I110996 [0,2,0,0,0,0|2,0,0]=4 1258 B8R0.2 CCC(C)C(C(=O)O)N D465658 [0,2,0,0,0,0|1,0,0]=3 1259 B8R0.2 CCC(C)C(C(=O)O)N I103488 [0,2,0,0,0,0|1,0,0]=3 1260 B8R0.2 CCC(C)C(C(=O)O)N I105431 [0,2,0,0,0,0|1,0,0]=3 1261 B8R0.2 CCC(C)C(C(=O)O)N I113733 [0,2,0,0,0,0|1,0,0]=3 1262 B8R0.2 CCC(C)C(C(=O)O)N I113995 [0,2,0,0,0,0|1,0,0]=3 1263 B8R0.2 CCC(C)C(C(=O)O)N I115775 [0,2,0,0,0,0|1,0,0]=3 1264 B8R0.2 CCC(C)C(C(=O)O)N I117745 [0,2,0,0,0,0|1,0,0]=3 1265 B8R0.2 CCC(C)C(C(=O)O)N L425728 [0,2,0,0,0,0|1,0,0]=3 1266 B8R0.2 CCC(C)C(C(=O)O)O H351180 [0,2,0,0,0,0|1,0,0]=3 1267 B8R0.5 C#CCC(CC(=O)O)N I169630 [0,2,0,0,0,0|1,0,0]=3 1268 B8R0.5 CCOC(=O)CC(=O)O M158864 [0,2,0,0,0,0|1,0,1]=4 1269 B8R0.19 CCC(=O)CC(=O)OC M109572 [0,2,0,0,0,0|1,0,1]=4 1270 B8R0.19 CCC(C)CC(=O)CC M158857 [0,2,0,0,0,0|2,0,0]=4 1271 B8R0.19 CCC(CC(=O)OC)O M465384 [0,2,0,0,0,0|1,0,0]=3 1272 B8R0.19 COC(=O)CC(=O)CCl M158829 [0,2,0,0,0,0|1,0,1]=4 1273 B8R0.23 C(C(C(=O)N)N)C(=O)O D182538 [0,2,0,0,0,0|0,0,1]=3 1274 B8R0.23 C(C(C(=O)O)Br)C(=O)O B106958 [0,2,0,0,0,0|1,0,1]=4 1275 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [0,2,0,0,0,0|0,0,1]=3 1276 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [0,2,0,0,0,0|0,0,1]=3 1277 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [0,2,0,0,0,0|0,0,1]=3 1278 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [0,2,0,0,0,0|0,0,1]=3 1279 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [0,2,0,0,0,0|0,0,1]=3 1280 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [0,2,0,0,0,0|0,0,1]=3 1281 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [0,2,0,0,0,0|0,0,1]=3 1282 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [0,2,0,0,0,0|0,0,1]=3 1283 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [0,2,0,0,0,0|0,0,1]=3 1284 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [0,2,0,0,0,0|0,0,1]=3 1285 B8R0.23 C(C(C(=O)O)N)C(=O)O A105951 [0,2,0,0,0,0|1,0,1]=4 1286 B8R0.23 C(C(C(=O)O)N)C(=O)O A108708 [0,2,0,0,0,0|1,0,1]=4 1287 B8R0.23 C(C(C(=O)O)N)C(=O)O A108860 [0,2,0,0,0,0|1,0,1]=4 1288 B8R0.23 C(C(C(=O)O)N)C(=O)O A108861 [0,2,0,0,0,0|1,0,1]=4 1289 B8R0.23 C(C(C(=O)O)N)C(=O)O A117776 [0,2,0,0,0,0|1,0,1]=4 1290 B8R0.23 C(C(C(=O)O)N)C(=O)O A117777 [0,2,0,0,0,0|1,0,1]=4 1291 B8R0.23 C(C(C(=O)O)N)C(=O)O A137730 [0,2,0,0,0,0|1,0,1]=4 1292 B8R0.23 C(C(C(=O)O)N)C(=O)O A304400 [0,2,0,0,0,0|1,0,1]=4 1293 B8R0.23 C(C(C(=O)O)N)C(=O)O L274318 [0,2,0,0,0,0|1,0,1]=4 1294 B8R0.23 C(C(C(=O)O)N)C(=O)O L424798 [0,2,0,0,0,0|1,0,1]=4 1295 B8R0.23 C(C(C(=O)O)N)C(=O)O L471827 [0,2,0,0,0,0|1,0,1]=4 1296 B8R0.23 C(C(C(=O)O)N)C(=O)O L475308 [0,2,0,0,0,0|1,0,1]=4 1297 B8R0.23 C(C(C(=O)O)N)C(=O)O L476204 [0,2,0,0,0,0|1,0,1]=4 1298 B8R0.23 C(C(C(=O)O)N)C(=O)O M132322 [0,2,0,0,0,0|1,0,1]=4 1299 B8R0.23 C(C(C(=O)O)N)C(=O)O P303238 [0,2,0,0,0,0|1,0,1]=4 1300 B8R0.23 C(C(C(=O)O)N)C(=O)O S432943 [0,2,0,0,0,0|1,0,1]=4 1301 B8R0.23 C(C(C(=O)O)N)C(=O)[O-] L182670 [0,2,0,0,0,0|1,0,1]=4 1302 B8R0.23 C(C(C(=O)O)N)S(=O)O L288573 [0,2,0,0,0,0|2,0,0]=4 1303 B8R0.23 C(C(C(=O)O)O)C(=O)O D425543 [0,2,0,0,0,0|1,0,1]=4 1304 B8R0.23 C(C(C(=O)O)O)C(=O)O D433328 [0,2,0,0,0,0|1,0,1]=4 1305 B8R0.23 C(C(C(=O)O)O)C(=O)O L427197 [0,2,0,0,0,0|1,0,1]=4 1306 B8R0.23 C(C(C(=O)O)O)C(=O)O M101126 [0,2,0,0,0,0|1,0,1]=4 1307 B8R0.23 C(C(C(=O)O)O)C(=O)O M105695 [0,2,0,0,0,0|1,0,1]=4 1308 B8R0.23 C(C(C(=O)O)O)C(=O)O M105696 [0,2,0,0,0,0|1,0,1]=4 1309 B8R0.23 C(C(C(=O)O)O)C(=O)O M109342 [0,2,0,0,0,0|1,0,1]=4 1310 B8R0.23 C(C(C(=O)O)O)C(=O)O M119455 [0,2,0,0,0,0|1,0,1]=4 1311 B8R0.23 C(C(C(=O)O)O)C(=O)O P160725 [0,2,0,0,0,0|1,0,1]=4 1312 B8R0.23 C(C(C(=O)O)S)C(=O)O M109507 [0,2,0,0,0,0|1,0,1]=4 1313 B8R0.23 C(C(C(=O)[O-])N)C(=O)O D465226 [0,2,0,0,0,0|1,0,1]=4 1314 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L193085 [0,2,0,0,0,0|1,0,1]=4 1315 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L465034 [0,2,0,0,0,0|1,0,1]=4 1316 B8R0.23 C(C(C(=O)[O-])N)C(=O)O P160327 [0,2,0,0,0,0|1,0,1]=4 1317 B8R0.23 C(C(C(=O)[O-])N)C(=O)O S169558 [0,2,0,0,0,0|1,0,1]=4 1318 B8R0.23 CC(C(CC(=O)O)N)O H352839 [0,2,0,0,0,0|1,0,0]=3 1319 B8R0.23 CC(C)C(CC(=O)O)N L102509 [0,2,0,0,0,0|1,0,0]=3 1320 B8R0.23 CC(C)C(CC(=O)O)N L182849 [0,2,0,0,0,0|1,0,0]=3 1321 B8R0.23 CC(C)C(CC(=O)O)N R194939 [0,2,0,0,0,0|1,0,0]=3 1322 B8R0.23 CC(C)C(CC(=O)O)N S193261 [0,2,0,0,0,0|1,0,0]=3 1323 B8R0.23 CC(C)CC(=O)C(=O)O M104530 [0,2,0,0,0,0|1,0,1]=4 1324 B8R0.23 CC(C)CC(=O)C(=O)O M401024 [0,2,0,0,0,0|1,0,1]=4 1325 B8R0.23 CC(C)CC(C(=O)N)N H299483 [0,2,0,0,0,0|2,0,0]=4 1326 B8R0.23 CC(C)CC(C(=O)N)N S161269 [0,2,0,0,0,0|2,0,0]=4 1327 B8R0.23 CC(C)CC(C(=O)N)N S165636 [0,2,0,0,0,0|2,0,0]=4 1328 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [0,2,0,0,0,0|1,0,0]=3 1329 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [0,2,0,0,0,0|1,0,0]=3 1330 B8R0.23 CC(C)CC(C(=O)O)N L100046 [0,2,0,0,0,0|1,0,0]=3 1331 B8R0.23 CC(C)CC(C(=O)O)N L104898 [0,2,0,0,0,0|1,0,0]=3 1332 B8R0.23 CC(C)CC(C(=O)O)N L110997 [0,2,0,0,0,0|1,0,0]=3 1333 B8R0.23 CC(C)CC(C(=O)O)N L117742 [0,2,0,0,0,0|1,0,0]=3 1334 B8R0.23 CC(C)CC(C(=O)O)N L425126 [0,2,0,0,0,0|1,0,0]=3 1335 B8R0.23 CC(C)CC(C(=O)O)N L433130 [0,2,0,0,0,0|1,0,0]=3 1336 B8R0.23 CC(C)CC(C(=O)O)O L421425 [0,2,0,0,0,0|1,0,0]=3 1337 B8R0.23 CC(C)CC(C(=O)O)O R182597 [0,2,0,0,0,0|1,0,0]=3 1338 B8R0.23 CC(C)CC(C(=O)O)O S161033 [0,2,0,0,0,0|1,0,0]=3 1339 B8R0.23 CC(C)CC(C(=O)O)O S161215 [0,2,0,0,0,0|1,0,0]=3 1340 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [0,2,0,0,0,0|1,0,1]=4 1341 B8R0.23 CC(CC(=O)O)C(=O)C B152315 [0,2,0,0,0,0|1,0,1]=4 1342 B8R0.23 CC(CC(=O)O)C(=O)O M101729 [0,2,0,0,0,0|1,0,1]=4 1343 B8R0.23 CN(CC(=O)O)C(=N)N C105702 [0,2,0,0,0,0|1,0,1]=4 1344 B8R0.23 CN(CC(=O)O)C(=N)N C105933 [0,2,0,0,0,0|1,0,1]=4 1345 B8R0.23 CN(CC(=O)O)C(=N)N C424813 [0,2,0,0,0,0|1,0,1]=4 1346 B8R0.23 CN(CC(=O)O)C(=N)N C425001 [0,2,0,0,0,0|1,0,1]=4 1347 B8R0.23 CN(CC(=O)O)C(=O)N A344926 [0,2,0,0,0,0|1,0,1]=4 1348 B8R0.23 CS(=O)CC(C(=O)O)N M106189 [0,2,0,0,0,0|2,0,0]=4 1349 B8R0.34 CCC(C)(CC(=O)O)O H156962 [0,2,0,0,0,0|1,0,0]=3 1350 B8R0.1 CCCCC(=O)C=CC O160046 [0,2,0,0,0,0|2,0,0]=4 1351 B8R0.1 CCCCC(=O)CCC O160045 [0,2,0,0,0,0|2,0,0]=4 1352 B8R0.1 CCCCC(=O)OCC E105293 [0,2,0,0,0,0|1,0,0]=3 1353 B8R0.1 CCCCC(=O)OCC E105294 [0,2,0,0,0,0|1,0,0]=3 1354 B8R0.1 CCCCC(=O)OCC E118465 [0,2,0,0,0,0|1,0,0]=3 1355 B8R0.1 CCOC(=O)CCC=C E156151 [0,2,0,0,0,0|1,0,1]=4 1356 B8R0.1 CCOC(=O)CCCBr E106908 [0,2,0,0,0,0|1,0,0]=3 1357 B8R0.1 CCOC(=O)CCCBr E639064 [0,2,0,0,0,0|1,0,0]=3 1358 B8R0.1 CCOC(=O)CCCCl E135072 [0,2,0,0,0,0|1,0,0]=3 1359 B8R0.1 CCOC(=O)CCCCl E493598 [0,2,0,0,0,0|1,0,0]=3 1360 B8R0.1 CCOC(=O)CCCN E122453 [0,2,0,0,0,0|0,0,0]=2 1361 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [0,2,0,0,0,0|1,0,0]=3 1362 B8R0.1 CCOC(=O)CCSC E107629 [0,2,0,0,0,0|2,0,0]=4 1363 B8R0.1 CCOCC(=O)OCC E195171 [0,2,0,0,0,0|2,0,0]=4 1364 B8R0.3 CC(COC)C(=O)OC M157985 [0,2,0,0,0,0|2,0,0]=4 1365 B8R0.3 CCCC(C(=O)NO)N B300173 [0,2,0,0,0,0|1,0,0]=3 1366 B8R0.3 CCCC(C)C(=O)OC B300583 [0,2,0,0,0,0|1,0,0]=3 1367 B8R0.3 COC(=O)C(CCBr)Br M588617 [0,2,0,0,0,0|1,0,0]=3 1368 B8R0.6 CCCC=CC(=O)OC M134288 [0,2,0,0,0,0|1,0,1]=4 1369 B8R0.6 CCCCCC(=O)C=C O160047 [0,2,0,0,0,0|2,0,0]=4 1370 B8R0.6 CCCCCC(=O)CC O106928 [0,2,0,0,0,0|2,0,0]=4 1371 B8R0.6 CCCCCC(=O)CC O106929 [0,2,0,0,0,0|2,0,0]=4 1372 B8R0.6 CCCCCC(=O)OC M112312 [0,2,0,0,0,0|1,0,0]=3 1373 B8R0.6 CCCCCC(=O)OC M112313 [0,2,0,0,0,0|1,0,0]=3 1374 B8R0.6 CCCCCC(=O)OC M112314 [0,2,0,0,0,0|1,0,0]=3 1375 B8R0.6 CCCCNC(=O)C=C N405436 [0,2,0,0,0,0|2,0,0]=4 1376 B8R0.6 CCCCNC(=O)CCl N193799 [0,2,0,0,0,0|2,0,0]=4 1377 B8R0.6 CCCCOC(=O)C=C B100034 [0,2,0,0,0,0|2,0,0]=4 1378 B8R0.6 CCCCOC(=O)C=C B100035 [0,2,0,0,0,0|2,0,0]=4 1379 B8R0.6 CCCCOC(=O)C=C B100036 [0,2,0,0,0,0|2,0,0]=4 1380 B8R0.6 CCCCOC(=O)C=C B100037 [0,2,0,0,0,0|2,0,0]=4 1381 B8R0.6 CCCCOC(=O)CC B152863 [0,2,0,0,0,0|2,0,0]=4 1382 B8R0.6 CCCCOC(=O)CCl B152888 [0,2,0,0,0,0|2,0,0]=4 1383 B8R0.6 CCCCOC(=O)CO B134012 [0,2,0,0,0,0|1,0,0]=3 1384 B8R0.6 CCCCOC(=O)CO B493056 [0,2,0,0,0,0|1,0,0]=3 1385 B8R0.6 CCCCOC(=O)CS B152740 [0,2,0,0,0,0|1,1,0]=4 1386 B8R0.6 COC(=O)CCCC=C M158008 [0,2,0,0,0,0|1,0,0]=3 1387 B8R0.6 COC(=O)CCCC=O M589623 [0,2,0,0,0,0|1,0,0]=3 1388 B8R0.6 COC(=O)CCCCBr M157983 [0,2,0,0,0,0|1,0,0]=3 1389 B8R0.6 COC(=O)CCCCCl M167259 [0,2,0,0,0,0|1,0,0]=3 1390 B8R0.6 COC(=O)COCCCl M195238 [0,2,0,0,0,0|1,0,0]=3 1391 B8R0.8 C(C(C(=O)O)N)N=[N+]=[N-] A463358 [0,2,0,0,0,0|1,0,1]=4 1392 B8R0.8 C(CC(C(=O)O)N)CN L350090 [0,2,0,0,0,0|0,0,0]=2 1393 B8R0.8 C(CC(C(=O)O)N)CN L413185 [0,2,0,0,0,0|0,0,0]=2 1394 B8R0.8 C(CC(C(=O)O)N)CN L423300 [0,2,0,0,0,0|0,0,0]=2 1395 B8R0.8 C(CC(C(=O)O)N)CN L425600 [0,2,0,0,0,0|0,0,0]=2 1396 B8R0.8 C(CC(C(=O)O)N)CN L432617 [0,2,0,0,0,0|0,0,0]=2 1397 B8R0.8 C(CC(C(=O)O)N)CN O101048 [0,2,0,0,0,0|0,0,0]=2 1398 B8R0.8 C(CC(C(=O)O)N)CN O108803 [0,2,0,0,0,0|0,0,0]=2 1399 B8R0.8 C(CC(C(=O)O)N)CN S161189 [0,2,0,0,0,0|0,0,0]=2 1400 B8R0.8 C(CC(C(=O)O)N)CN S161190 [0,2,0,0,0,0|0,0,0]=2 1401 B8R0.8 C(CC(C(=O)O)N)CN S589622 [0,2,0,0,0,0|0,0,0]=2 1402 B8R0.8 CC(=C)C(=O)OCCN A168938 [0,2,0,0,0,0|2,0,0]=4 1403 B8R0.8 CC(C(=O)NCCO)O N158965 [0,2,0,0,0,0|2,0,0]=4 1404 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,2,0,0,0,0|1,0,1]=4 1405 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [0,2,0,0,0,0|1,0,1]=4 1406 B8R0.8 CCCCC(=O)C(C)C M158862 [0,2,0,0,0,0|2,0,0]=4 1407 B8R0.8 CCCCC(C(=O)O)Br B152316 [0,2,0,0,0,0|1,0,0]=3 1408 B8R0.8 CCCCC(C(=O)O)N L485252 [0,2,0,0,0,0|1,0,0]=3 1409 B8R0.8 CCCCC(C(=O)O)N N105991 [0,2,0,0,0,0|1,0,0]=3 1410 B8R0.8 CCCCC(C(=O)O)N N109230 [0,2,0,0,0,0|1,0,0]=3 1411 B8R0.8 CCCCC(C(=O)O)N S136235 [0,2,0,0,0,0|1,0,0]=3 1412 B8R0.8 CCCCC(C(=O)O)O H300379 [0,2,0,0,0,0|1,0,0]=3 1413 B8R0.8 CCCCC(C(=O)O)O H425022 [0,2,0,0,0,0|1,0,0]=3 1414 B8R0.8 CCCCC(C)C(=O)O M158388 [0,2,0,0,0,0|1,0,0]=3 1415 B8R0.8 CCCCC(C)C(=O)O M424064 [0,2,0,0,0,0|1,0,0]=3 1416 B8R0.8 CCCOC(=O)C(C)O P160122 [0,2,0,0,0,0|2,0,0]=4 1417 B8R0.8 CSCCC(C(=O)N)N S587494 [0,2,0,0,0,0|2,0,0]=4 1418 B8R0.8 CSCCC(C(=O)O)N D423548 [0,2,0,0,0,0|1,0,0]=3 1419 B8R0.8 CSCCC(C(=O)O)N D424961 [0,2,0,0,0,0|1,0,0]=3 1420 B8R0.8 CSCCC(C(=O)O)N L133003 [0,2,0,0,0,0|1,0,0]=3 1421 B8R0.8 CSCCC(C(=O)O)N L425234 [0,2,0,0,0,0|1,0,0]=3 1422 B8R0.8 CSCCC(C(=O)O)N M101130 [0,2,0,0,0,0|1,0,0]=3 1423 B8R0.8 CSCCC(C(=O)O)N M101131 [0,2,0,0,0,0|1,0,0]=3 1424 B8R0.8 CSCCC(C(=O)O)N M104886 [0,2,0,0,0,0|1,0,0]=3 1425 B8R0.8 CSCCC(C(=O)O)N M109223 [0,2,0,0,0,0|1,0,0]=3 1426 B8R0.8 CSCCC(C(=O)O)O H194065 [0,2,0,0,0,0|1,0,0]=3 1427 B8R0.8 CSCCC(C(=O)[O-])O C133719 [0,2,0,0,0,0|1,0,1]=4 1428 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [0,2,0,0,0,0|1,0,0]=3 1429 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [0,2,0,0,0,0|1,0,0]=3 1430 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [0,2,0,0,0,0|1,0,0]=3 1431 B8R0.9 C(C(=O)NCC(=O)O)N D302344 [0,2,0,0,0,0|0,0,1]=3 1432 B8R0.9 C(C(=O)NCC(=O)O)N G105429 [0,2,0,0,0,0|0,0,1]=3 1433 B8R0.9 C(C(=O)NCC(=O)O)N G119491 [0,2,0,0,0,0|0,0,1]=3 1434 B8R0.9 C(C(=O)NCC(=O)O)N G119492 [0,2,0,0,0,0|0,0,1]=3 1435 B8R0.9 C(C(=O)NCC(=O)O)N G424736 [0,2,0,0,0,0|0,0,1]=3 1436 B8R0.9 C(C(=O)O)NC(=O)CCl N159827 [0,2,0,0,0,0|1,0,1]=4 1437 B8R0.9 C(CC(=O)O)C(=O)CN A107209 [0,2,0,0,0,0|0,0,0]=2 1438 B8R0.9 C=CC(CCC(=O)O)N V136673 [0,2,0,0,0,0|0,0,0]=2 1439 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,2,0,0,0,0|1,0,1]=4 1440 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,2,0,0,0,0|1,0,1]=4 1441 B8R0.9 CC(=O)OCC(CO)O M158754 [0,2,0,0,0,0|2,0,0]=4 1442 B8R0.9 CC(C)CCC(=O)OC M464241 [0,2,0,0,0,0|1,0,0]=3 1443 B8R0.9 CCC(=CCC(=O)O)C M193916 [0,2,0,0,0,0|1,0,1]=4 1444 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,2,0,0,0,0|1,0,0]=3 1445 B8R0.9 CCC(C)CCC(=O)O M138303 [0,2,0,0,0,0|1,0,0]=3 1446 B8R0.9 CCC(C)COC(=O)C M111920 [0,2,0,0,0,0|2,0,0]=4 1447 B8R0.9 CN(C)CCC(=O)OC M170066 [0,2,0,0,0,0|2,0,0]=4 1448 B8R0.9 COC(=O)CCC(=O)Cl M132641 [0,2,0,0,0,0|1,0,1]=4 1449 B8R0.9 COC(=O)CCC(=O)N M158316 [0,2,0,0,0,0|0,0,1]=3 1450 B8R0.9 COC(=O)CCC(=O)O M102991 [0,2,0,0,0,0|1,0,1]=4 1451 B8R0.9 COC(=O)CCS(=O)[O-] S139412 [0,2,0,0,0,0|2,0,0]=4 1452 B8R0.9 NCC(=O)CCC(O)=O A409271 [0,2,0,0,0,0|0,0,0]=2 1453 B8R0.11 COC(CCCN)OC A132534 [0,2,0,0,0,0|0,0,2]=4 1454 B8R0.25 CO[Si](C)(C)CCCN A357580 [0,2,0,0,0,0|1,1,0]=4 1455 B8R0.7 C#CCCCCC(=O)O H107741 [0,2,0,0,0,0|1,0,0]=3 1456 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [0,2,0,0,0,0|2,0,0]=4 1457 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [0,2,0,0,0,0|2,0,0]=4 1458 B8R0.7 C(CCC(=O)N)CCBr B185341 [0,2,0,0,0,0|2,0,0]=4 1459 B8R0.7 C(CCC(=O)O)CCBr B104555 [0,2,0,0,0,0|1,0,0]=3 1460 B8R0.7 C(CCC(=O)O)CCCl C121729 [0,2,0,0,0,0|1,0,0]=3 1461 B8R0.7 C(CCC(=O)O)CCN A306000 [0,2,0,0,0,0|0,0,0]=2 1462 B8R0.7 C(CCC(=O)O)CCN A433060 [0,2,0,0,0,0|0,0,0]=2 1463 B8R0.7 C(CCC(=O)O)CCO H302536 [0,2,0,0,0,0|1,0,0]=3 1464 B8R0.7 C(CCC(=O)O)CCS M292991 [0,2,0,0,0,0|1,0,0]=3 1465 B8R0.7 C(CCC(=O)O)CCS M345400 [0,2,0,0,0,0|1,0,0]=3 1466 B8R0.7 C(CCC(=O)[O-])CCO P192074 [0,2,0,0,0,0|1,0,1]=4 1467 B8R0.7 C(CCN=C(N)N)CN A123125 [0,2,0,0,0,0|2,0,0]=4 1468 B8R0.7 C(CCN=C(N)N)CN A422852 [0,2,0,0,0,0|2,0,0]=4 1469 B8R0.7 C(CN)CNCC(=O)O N159195 [0,2,0,0,0,0|0,0,0]=2 1470 B8R0.7 C(CNCC(=O)O)C#N N159829 [0,2,0,0,0,0|0,0,1]=3 1471 B8R0.7 C(COCCN)C(=O)O A412738 [0,2,0,0,0,0|0,0,0]=2 1472 B8R0.7 C=CCOCCC(=O)O A151450 [0,2,0,0,0,0|1,0,0]=3 1473 B8R0.7 CC(=O)NCCCCN I168071 [0,2,0,0,0,0|1,0,0]=3 1474 B8R0.7 CC(=O)NCCCCN N159176 [0,2,0,0,0,0|1,0,0]=3 1475 B8R0.7 CC(=O)OCCCC=C P160540 [0,2,0,0,0,0|2,0,0]=4 1476 B8R0.7 CC(=O)OCCCCBr B136623 [0,2,0,0,0,0|2,0,0]=4 1477 B8R0.7 CC(=O)OCCCCCl C133987 [0,2,0,0,0,0|2,0,0]=4 1478 B8R0.7 CC(=O)OCCCCI I476998 [0,2,0,0,0,0|2,0,0]=4 1479 B8R0.7 CC(=O)OCCCSC M157982 [0,2,0,0,0,0|2,0,0]=4 1480 B8R0.7 CCCC=CCC(=O)O H303362 [0,2,0,0,0,0|1,0,0]=3 1481 B8R0.7 CCCCC#CC(=O)O H157081 [0,2,0,0,0,0|1,0,0]=3 1482 B8R0.7 CCCCC=CC(=O)C O100829 [0,2,0,0,0,0|2,0,0]=4 1483 B8R0.7 CCCCC=CC(=O)O H305279 [0,2,0,0,0,0|1,0,0]=3 1484 B8R0.7 CCCCCCC(=O)C O111186 [0,2,0,0,0,0|2,0,0]=4 1485 B8R0.7 CCCCCCC(=O)C O111187 [0,2,0,0,0,0|2,0,0]=4 1486 B8R0.7 CCCCCCC(=O)Cl H102418 [0,2,0,0,0,0|2,0,0]=4 1487 B8R0.7 CCCCCCC(=O)O H103518 [0,2,0,0,0,0|1,0,0]=3 1488 B8R0.7 CCCCCCC(=O)O H103519 [0,2,0,0,0,0|1,0,0]=3 1489 B8R0.7 CCCCCCC(=O)O H103520 [0,2,0,0,0,0|1,0,0]=3 1490 B8R0.7 CCCCCCC(=O)O H431469 [0,2,0,0,0,0|1,0,0]=3 1491 B8R0.7 CCCCCCC(=O)[O-] S161315 [0,2,0,0,0,0|1,0,1]=4 1492 B8R0.7 CCCCCOC(=O)C A103450 [0,2,0,0,0,0|2,0,0]=4 1493 B8R0.7 CCCCCOC(=O)C A103451 [0,2,0,0,0,0|2,0,0]=4 1494 B8R0.7 CCCCCOC(=O)C A103452 [0,2,0,0,0,0|2,0,0]=4 1495 B8R0.7 CCCCCOC(=O)Cl A139129 [0,2,0,0,0,0|2,0,0]=4 1496 B8R0.7 CCCCOCC(=O)O B152317 [0,2,0,0,0,0|1,0,0]=3 1497 B8R0.7 CCOCCOC(=O)C E105181 [0,2,0,0,0,0|2,0,0]=4 1498 B8R0.7 CCOCCOC(=O)C E105183 [0,2,0,0,0,0|2,0,0]=4 1499 B8R0.7 CCOCCOC(=O)C E105184 [0,2,0,0,0,0|2,0,0]=4 1500 B8R0.7 COCCOCC(=O)O M138320 [0,2,0,0,0,0|1,0,0]=3 1501 B8R0.21 C(CCBr)CP(=O)(O)O B153202 [0,2,0,0,0,0|2,0,0]=4 1502 B8R0.21 C(CCP(=O)(O)O)CN A169868 [0,2,0,0,0,0|1,0,0]=3 1503 B8R0.21 C(CN)COP(=O)(O)O A338244 [0,2,0,0,0,0|1,0,0]=3 1504 B8R0.21 CCCCOP(=O)(O)O N378710 [0,2,0,0,0,0|2,0,0]=4 1505 B8R0.28 C(C(=O)N)OCC(=O)O A168692 [0,2,0,0,0,0|0,0,1]=3 1506 B8R0.28 C(C(=O)O)NCC(=O)O I104451 [0,2,0,0,0,0|1,0,1]=4 1507 B8R0.28 C(C(=O)O)OCC(=O)O D155445 [0,2,0,0,0,0|1,0,1]=4 1508 B8R0.28 C(C(=O)O)SCC(=O)O T106634 [0,2,0,0,0,0|1,0,1]=4 1509 B8R0.28 C(CC(=O)Cl)CC(=O)Cl G109391 [0,2,0,0,0,0|2,0,0]=4 1510 B8R0.28 C(CC(=O)N)CC(=O)O A169054 [0,2,0,0,0,0|0,0,0]=2 1511 B8R0.28 C(CC(=O)O)CC(=O)O G103515 [0,2,0,0,0,0|1,0,0]=3 1512 B8R0.28 C(CC(=O)O)CC(=O)O G103516 [0,2,0,0,0,0|1,0,0]=3 1513 B8R0.28 C(CC(=O)O)CC(=O)O G420610 [0,2,0,0,0,0|1,0,0]=3 1514 B8R0.28 C(CC(=O)[O-])CC(=O)[O-] D154294 [0,2,0,0,0,0|1,0,1]=4 1515 B8R0.28 C(CN=C(N)N)C(=O)O D137194 [0,2,0,0,0,0|0,0,1]=3 1516 B8R0.28 C(CNC(=O)N)C(=O)O U170466 [0,2,0,0,0,0|0,0,1]=3 1517 B8R0.28 C(CNC(=O)N)C(=O)O U424088 [0,2,0,0,0,0|0,0,1]=3 1518 B8R0.28 C(CSC(=N)N)C(=O)O I121960 [0,2,0,0,0,0|0,0,1]=3 1519 B8R0.28 CC(=O)CCCC(=O)O O159987 [0,2,0,0,0,0|1,0,0]=3 1520 B8R0.28 CC(=O)NCCC(=O)O N133308 [0,2,0,0,0,0|1,0,1]=4 1521 B8R0.28 CC(=O)SCCC(=O)O A136318 [0,2,0,0,0,0|1,0,1]=4 1522 B8R0.28 CC(C)CCCC(=O)C M158865 [0,2,0,0,0,0|2,0,0]=4 1523 B8R0.28 CC(C)CCCC(=O)O M158389 [0,2,0,0,0,0|1,0,0]=3 1524 B8R0.28 CC(C)CCOC(=O)C I112107 [0,2,0,0,0,0|2,0,0]=4 1525 B8R0.28 CC(C)CCOC(=O)C I112108 [0,2,0,0,0,0|2,0,0]=4 1526 B8R0.28 CC(C)CCOC(=O)C I112110 [0,2,0,0,0,0|2,0,0]=4 1527 B8R0.28 CC(C)CCOC(=O)C T119705 [0,2,0,0,0,0|2,0,0]=4 1528 B8R0.28 CN(C)CC=CC(=O)O E177613 [0,2,0,0,0,0|0,0,2]=4 1529 B8R0.28 CN(C)CCCC(=O)O D589906 [0,2,0,0,0,0|0,0,0]=2 1530 B8R0.28 CN(C)CCCC(=O)O W133561 [0,2,0,0,0,0|0,0,0]=2 1531 B8R0.12 CC(C)(CC=C)C(=O)O W132414 [0,2,0,0,0,0|1,0,1]=4 1532 B8R0.12 CC(CC=C)(C(=O)O)N R465192 [0,2,0,0,0,0|1,0,1]=4 1533 B8R0.12 CCCC(C)(C)C(=O)O D154848 [0,2,0,0,0,0|1,0,0]=3 1534 B8R0.29 C(CC(F)(F)F)C(=O)O T121978 [0,2,0,0,0,0|1,0,0]=3 1535 B8R0.29 C(CP(=O)(O)O)C(=O)O P113856 [0,2,0,0,0,0|2,0,0]=4 1536 B8R0.29 CC(C)(C)NCC(=O)O N194621 [0,2,0,0,0,0|2,0,0]=4 1537 B8R0.29 CC(CCC(=O)O)(F)F D586779 [0,2,0,0,0,0|1,0,0]=3 1538 B8R0.29 CP(=O)(CCC(=O)O)O M133020 [0,2,0,0,0,0|2,0,0]=4 1539 B6R1.2 C1C=CC(=O)O1 F107943 [1,0,0,1,0,0|0,0,2]=4 1540 B6R1.2 C1CC(=N)SC1 I106793 [1,0,0,1,0,0|1,1,0]=4 1541 B6R1.2 C1CC(=N)SC1 I492458 [1,0,0,1,0,0|1,1,0]=4 1542 B6R1.2 C1CC(=NC1)N A151483 [1,0,0,1,0,0|2,0,0]=4 1543 B6R1.2 C1CC(=O)C=C1 C139450 [1,0,0,1,0,0|1,0,1]=4 1544 B6R1.2 C1CC(=O)NC1 P112692 [1,0,0,1,0,0|1,0,0]=3 1545 B6R1.2 C1CC(=O)NC1 P468968 [1,0,0,1,0,0|1,0,0]=3 1546 B6R1.2 C1CC(=O)SC1 T472178 [1,0,0,1,0,0|0,1,0]=3 1547 B6R1.2 C1CC(OC1)O H355199 [1,0,0,1,0,0|0,0,2]=4 1548 B6R1.2 C1CCC(=O)C1 C108566 [1,0,0,1,0,0|1,0,0]=3 1549 B6R1.2 C1CCC(=O)C1 C108567 [1,0,0,1,0,0|1,0,0]=3 1550 B6R1.2 C1CCC(=O)C1 C108568 [1,0,0,1,0,0|1,0,0]=3 1551 B6R1.2 C1CCC(=O)C1 C108569 [1,0,0,1,0,0|1,0,0]=3 1552 B6R1.2 C1CCC(C1)O C110398 [1,0,0,1,0,0|1,0,1]=4 1553 B6R1.2 C1CCS(=O)C1 T162808 [1,0,0,1,0,0|2,0,0]=4 1554 B6R1.2 C1CNC(=O)N1 I157588 [1,0,0,1,0,0|2,0,0]=4 1555 B6R1.2 C1CNC(=O)N1 I299072 [1,0,0,1,0,0|2,0,0]=4 1556 B6R1.2 C1CNCC1=O P176320 [1,0,0,1,0,0|1,0,0]=3 1557 B6R1.2 C1CNCC1O H115463 [1,0,0,1,0,0|1,0,1]=4 1558 B6R1.2 C1CNCC1O H187203 [1,0,0,1,0,0|1,0,1]=4 1559 B6R1.2 C1CNCC1O P121669 [1,0,0,1,0,0|1,0,1]=4 1560 B6R1.2 C1CNCC1O P128587 [1,0,0,1,0,0|1,0,1]=4 1561 B6R1.2 C1CNCC1O S115471 [1,0,0,1,0,0|1,0,1]=4 1562 B6R1.2 C1CNCC1O S161346 [1,0,0,1,0,0|1,0,1]=4 1563 B6R1.2 C1COC(=O)N1 O133460 [1,0,0,1,0,0|1,0,0]=3 1564 B6R1.2 C1COC(=O)O1 E105727 [1,0,0,1,0,0|1,0,0]=3 1565 B6R1.2 C1COC(=O)O1 E105728 [1,0,0,1,0,0|1,0,0]=3 1566 B6R1.2 C1COC(=S)N1 B301323 [1,0,0,1,0,0|1,1,0]=4 1567 B6R1.2 C1COCC1=O T161567 [1,0,0,1,0,0|2,0,0]=4 1568 B6R1.2 C1COS(=O)O1 G120334 [1,0,0,1,0,0|2,0,0]=4 1569 B6R1.2 C1CSC(=O)N1 T192435 [1,0,0,1,0,0|1,1,0]=4 1570 B6R1.2 C1CSCC1=O D106839 [1,0,0,1,0,0|2,0,0]=4 1571 B6R1.2 C=C1CCCC1 M158228 [1,0,0,1,0,0|2,0,0]=4 1572 B6R1.2 CC1=CCCC1 M158230 [1,0,0,1,0,0|2,0,0]=4 1573 B6R1.2 CC1=NCCC1 M187405 [1,0,0,1,0,0|2,0,0]=4 1574 B6R1.2 CC1=NCCO1 M158497 [1,0,0,1,0,0|2,0,0]=4 1575 B6R1.2 CC1CCCO1 M106688 [1,0,0,1,0,0|1,0,1]=4 1576 B6R1.2 CC1CCCO1 M106689 [1,0,0,1,0,0|1,0,1]=4 1577 B6R1.2 CC1CCCO1 M119683 [1,0,0,1,0,0|1,0,1]=4 1578 B6R1.2 CC1CCCO1 M298963 [1,0,0,1,0,0|1,0,1]=4 1579 B6R1.3 CCCC1CO1 E156390 [1,0,0,1,0,0|1,0,1]=4 1580 B6R1.5 C1C(CC1O)N C172673 [1,0,0,1,0,0|1,0,1]=4 1581 B6R1.5 C1C(CC1O)N T172530 [1,0,0,1,0,0|1,0,1]=4 1582 B6R1.5 CC1CC(=O)O1 B152852 [1,0,0,1,0,0|0,0,0]=2 1583 B6R1.10 CC1(CCC1)O M491477 [1,0,0,1,0,0|1,0,1]=4 1584 B6R1.11 B(C1CC1)(O)O C120273 [1,0,0,1,0,0|1,0,1]=4 1585 B6R1.11 C1CC1C(=N)N C153636 [1,0,0,1,0,0|2,0,0]=4 1586 B6R1.11 C1CC1C(=O)Cl C133840 [1,0,0,1,0,0|1,0,0]=3 1587 B6R1.11 C1CC1C(=O)N C134392 [1,0,0,1,0,0|1,0,0]=3 1588 B6R1.11 C1CC1C(=O)O C106979 [1,0,0,1,0,0|0,0,0]=2 1589 B6R1.11 CC(=O)C1CC1 C108050 [1,0,0,1,0,0|1,0,0]=3 1590 B6R1.11 CC(C1CC1)O C153900 [1,0,0,1,0,0|1,0,1]=4 1591 B6R1.1 C1CC=COC1 D106433 [1,0,0,1,0,0|1,0,1]=4 1592 B6R1.1 C1CCC=CC1 C112737 [1,0,0,1,0,0|2,0,0]=4 1593 B6R1.1 C1CCC=CC1 C112738 [1,0,0,1,0,0|2,0,0]=4 1594 B6R1.1 C1CCC=CC1 C118621 [1,0,0,1,0,0|2,0,0]=4 1595 B6R1.1 C1CCNCC1 P194173 [1,0,0,1,0,0|1,0,1]=4 1596 B6R1.1 C1CCNCC1 P492785 [1,0,0,1,0,0|1,0,1]=4 1597 B6R1.1 C1CCOCC1 T100998 [1,0,0,1,0,0|1,0,1]=4 1598 B6R1.1 C1CCOCC1 T298966 [1,0,0,1,0,0|1,0,1]=4 1599 B6R1.1 C1CNC=NC1 T132007 [1,0,0,1,0,0|2,0,0]=4 1600 B6R1.1 C1CNCC=C1 T168116 [1,0,0,1,0,0|1,0,1]=4 1601 B6R1.6 C1C(CO1)C=O O173275 [1,0,0,1,0,0|2,0,0]=4 1602 B6R1.6 C1C(CO1)CN A171234 [1,0,0,1,0,0|2,0,0]=4 1603 B6R1.6 C1CC(C1)CN C176494 [1,0,0,1,0,0|1,0,1]=4 1604 B6R1.6 C1CC(C1)CN C176749 [1,0,0,1,0,0|1,0,1]=4 1605 B6R1.6 C1CC(C1)CO C120878 [1,0,0,1,0,0|1,0,1]=4 1606 B6R1.6 C1COC1CN S588071 [1,0,0,1,0,0|0,0,1]=3 1607 B6R1.6 C1COC1CO H157030 [1,0,0,1,0,0|1,0,1]=4 1608 B8R1.1 C1=C(ONC1=O)CN M355331 [0,1,0,1,0,0|0,0,2]=4 1609 B8R1.1 C1C(OC(=O)N1)CCl C134365 [0,1,0,1,0,0|1,0,0]=3 1610 B8R1.1 C1C(OC(=O)O1)CO G156799 [0,1,0,1,0,0|1,0,0]=3 1611 B8R1.1 C1CC(=O)NC1CBr B102457 [0,1,0,1,0,0|2,0,0]=4 1612 B8R1.1 C1CC(=O)NC1CBr B102458 [0,1,0,1,0,0|2,0,0]=4 1613 B8R1.1 C1CC(=O)NC1CO H103185 [0,1,0,1,0,0|2,0,0]=4 1614 B8R1.1 C1CC(=O)NC1CO H103186 [0,1,0,1,0,0|2,0,0]=4 1615 B8R1.1 C=CC1COC(=O)O1 V107647 [0,1,0,1,0,0|1,0,1]=4 1616 B8R1.1 CCC1CCC(=O)O1 C111339 [0,1,0,1,0,0|1,0,0]=3 1617 B8R1.4 C1C(=O)OC(=O)CO1 D154432 [0,1,0,1,0,0|1,0,1]=4 1618 B8R1.4 C1C(=O)OC(=O)CS1 T136548 [0,1,0,1,0,0|1,0,1]=4 1619 B8R1.4 C1CC(=CC(=O)C1)N A136183 [0,1,0,1,0,0|1,0,0]=3 1620 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [0,1,0,1,0,0|2,0,0]=4 1621 B8R1.4 C1CC(=O)NC(=O)C1 G156850 [0,1,0,1,0,0|2,0,0]=4 1622 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [0,1,0,1,0,0|1,0,0]=3 1623 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [0,1,0,1,0,0|1,0,0]=3 1624 B8R1.4 C1CC(CC(C1)O)N A401771 [0,1,0,1,0,0|1,0,1]=4 1625 B8R1.4 C1CNC(=O)CC1N A174477 [0,1,0,1,0,0|1,0,0]=3 1626 B8R1.4 C1CNC(=O)CC1O H193522 [0,1,0,1,0,0|2,0,0]=4 1627 B8R1.4 CC1=CC(=O)CCC1 M104499 [0,1,0,1,0,0|2,0,0]=4 1628 B8R1.4 CC1CC(=O)CCO1 M172463 [0,1,0,1,0,0|2,0,0]=4 1629 B8R1.4 CC1CCCC(=O)C1 M117710 [0,1,0,1,0,0|2,0,0]=4 1630 B8R1.4 CC1CCCC(=O)C1 R472235 [0,1,0,1,0,0|2,0,0]=4 1631 B8R1.4 CC1CCCC(=O)O1 D155361 [0,1,0,1,0,0|1,0,0]=3 1632 B8R1.4 CC1CCOS(=O)O1 M120341 [0,1,0,1,0,0|2,0,0]=4 1633 B8R1.4 CC1COCC(=O)N1 S586561 [0,1,0,1,0,0|2,0,0]=4 1634 B8R1.18 CC1CC(=O)OC1=O M102626 [0,1,0,1,0,0|1,0,1]=4 1635 B8R1.51 C1CS(=O)(=O)CC1N T170729 [0,1,0,1,0,0|1,0,1]=4 1636 B8R1.51 CC1(CCC(=O)C1)C D175598 [0,1,0,1,0,0|2,0,0]=4 1637 B8R1.51 CC1(CCC(=O)N1)C D193696 [0,1,0,1,0,0|2,0,0]=4 1638 B8R1.2 C1CC(CNC1)CO P160105 [0,1,0,1,0,0|1,0,1]=4 1639 B8R1.2 C1CC(CNC1)CO S586410 [0,1,0,1,0,0|1,0,1]=4 1640 B8R1.2 C1CC(CNC1)CO S587257 [0,1,0,1,0,0|1,0,1]=4 1641 B8R1.2 C1CCC(=CC1)C=O C468613 [0,1,0,1,0,0|2,0,0]=4 1642 B8R1.2 C1CCC(=NO)CC1 C109682 [0,1,0,1,0,0|2,0,0]=4 1643 B8R1.3 C1CC(=O)CCC1N A194532 [0,1,0,1,0,0|1,0,0]=3 1644 B8R1.3 C1CC(=O)CCC1O H190648 [0,1,0,1,0,0|2,0,0]=4 1645 B8R1.3 C1CC(=O)NCC1O H191838 [0,1,0,1,0,0|2,0,0]=4 1646 B8R1.3 C1CC(CCC1N)O A589874 [0,1,0,1,0,0|1,0,1]=4 1647 B8R1.3 C1CC(CCC1N)O A590121 [0,1,0,1,0,0|1,0,1]=4 1648 B8R1.3 C1CC(CCC1N)O C176801 [0,1,0,1,0,0|1,0,1]=4 1649 B8R1.3 C1CC(CCC1N)O C589031 [0,1,0,1,0,0|1,0,1]=4 1650 B8R1.3 C1CC(CCC1N)O T161619 [0,1,0,1,0,0|1,0,1]=4 1651 B8R1.3 C1CC(CCC1N)O T349966 [0,1,0,1,0,0|1,0,1]=4 1652 B8R1.3 CC1CCC(=O)CC1 M106719 [0,1,0,1,0,0|2,0,0]=4 1653 B8R1.3 CC1CCC(=O)CC1 M113653 [0,1,0,1,0,0|2,0,0]=4 1654 B8R1.5 C1CC(C(=O)NC1)Br B588801 [0,1,0,1,0,0|1,0,1]=4 1655 B8R1.5 C1CC(C(=O)NC1)N A121540 [0,1,0,1,0,0|1,0,1]=4 1656 B8R1.5 C1CC(C(=O)NC1)N A121541 [0,1,0,1,0,0|1,0,1]=4 1657 B8R1.5 C1CC(C(=O)NC1)N A181382 [0,1,0,1,0,0|1,0,1]=4 1658 B8R1.5 C1CC(C(=O)NC1)N I170302 [0,1,0,1,0,0|1,0,1]=4 1659 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,1,0,1,0,0|0,0,1]=3 1660 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,1,0,1,0,0|1,0,1]=4 1661 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,1,0,1,0,0|2,0,0]=4 1662 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,1,0,1,0,0|2,0,0]=4 1663 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,1,0,1,0,0|1,0,0]=3 1664 B8R1.5 CC1C(=O)NCCN1 M168916 [0,1,0,1,0,0|2,0,0]=4 1665 B8R1.5 CC1C(=O)NCCN1 R195856 [0,1,0,1,0,0|2,0,0]=4 1666 B8R1.5 CC1CCCCC1=O M100791 [0,1,0,1,0,0|2,0,0]=4 1667 B8R1.5 CN1CCCCC1=O N335945 [0,1,0,1,0,0|2,0,0]=4 1668 B8R1.5 CN1CCCNC1=O M493197 [0,1,0,1,0,0|2,0,0]=4 1669 B8R1.22 C1CC(=O)CCNC1 H121983 [0,1,0,1,0,0|1,0,0]=3 1670 B8R1.22 C1CCC(=O)C=CC1 C138031 [0,1,0,1,0,0|2,0,0]=4 1671 B8R1.22 C1CCC(=O)NCC1 C111698 [0,1,0,1,0,0|2,0,0]=4 1672 B8R1.22 C1CCC(=O)NCC1 C111700 [0,1,0,1,0,0|2,0,0]=4 1673 B8R1.22 C1CCC(=O)OCC1 C109521 [0,1,0,1,0,0|1,0,0]=3 1674 B8R1.22 C1CCC(=O)OCC1 C398060 [0,1,0,1,0,0|1,0,0]=3 1675 B8R1.22 C1CCC(=O)OCC1 P299385 [0,1,0,1,0,0|1,0,0]=3 1676 B8R1.22 C1CCC(=O)OCC1 P398622 [0,1,0,1,0,0|1,0,0]=3 1677 B8R1.22 C1CCC(=O)OCC1 P478241 [0,1,0,1,0,0|1,0,0]=3 1678 B8R1.22 C1CCC(=O)OCC1 P485972 [0,1,0,1,0,0|1,0,0]=3 1679 B8R1.22 C1CCC(=O)OCC1 P579406 [0,1,0,1,0,0|1,0,0]=3 1680 B8R1.22 C1CCCC(=O)CC1 C111127 [0,1,0,1,0,0|2,0,0]=4 1681 B8R1.22 C1COCCNC1=O O189427 [0,1,0,1,0,0|2,0,0]=4 1682 B8R1.22 C=C1OCCCCO1 M194650 [0,1,0,1,0,0|2,0,0]=4 1683 B8R1.38 C1CC(C1)C(=O)NN C348580 [0,1,0,1,0,0|2,0,0]=4 1684 B8R1.38 COC(=O)C1CNC1 A132584 [0,1,0,1,0,0|2,0,0]=4 1685 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [0,1,0,1,0,0|2,0,0]=4 1686 B8R1.50 C1CC(=O)N(C1=O)O H109330 [0,1,0,1,0,0|1,0,1]=4 1687 B8R1.50 CC1=C(C(=O)CC1)O H139285 [0,1,0,1,0,0|1,0,1]=4 1688 B8R1.50 CC1CCC(=O)C1=O M109224 [0,1,0,1,0,0|1,0,1]=4 1689 B8R1.50 CC1CCC(=O)N1C D467310 [0,1,0,1,0,0|2,0,0]=4 1690 B8R1.50 CN1C(CCC1=O)O H351403 [0,1,0,1,0,0|2,0,0]=4 1691 B8R1.7 C1C(NCS1)C(=O)O T137734 [0,1,0,1,0,0|0,0,0]=2 1692 B8R1.7 C1C(NCS1)C(=O)O T303731 [0,1,0,1,0,0|0,0,0]=2 1693 B8R1.7 C1C(NCS1)C(=O)O T424020 [0,1,0,1,0,0|0,0,0]=2 1694 B8R1.7 C1C=CC(N1)C(=O)O D137596 [0,1,0,1,0,0|0,0,1]=3 1695 B8R1.7 C1C=CC(N1)C(=O)O D169706 [0,1,0,1,0,0|0,0,1]=3 1696 B8R1.7 C1C=CCC1C(=O)O C153744 [0,1,0,1,0,0|1,0,1]=4 1697 B8R1.7 C1CC(NC1)C(=O)N P105976 [0,1,0,1,0,0|1,0,0]=3 1698 B8R1.7 C1CC(NC1)C(=O)N P121653 [0,1,0,1,0,0|1,0,0]=3 1699 B8R1.7 C1CC(NC1)C(=O)N S136613 [0,1,0,1,0,0|1,0,0]=3 1700 B8R1.7 C1CC(NC1)C(=O)O D423511 [0,1,0,1,0,0|0,0,0]=2 1701 B8R1.7 C1CC(NC1)C(=O)O L421729 [0,1,0,1,0,0|0,0,0]=2 1702 B8R1.7 C1CC(NC1)C(=O)O P105590 [0,1,0,1,0,0|0,0,0]=2 1703 B8R1.7 C1CC(NC1)C(=O)O P108709 [0,1,0,1,0,0|0,0,0]=2 1704 B8R1.7 C1CC(NC1)C(=O)O P111001 [0,1,0,1,0,0|0,0,0]=2 1705 B8R1.7 C1CC(NC1)C(=O)O P120032 [0,1,0,1,0,0|0,0,0]=2 1706 B8R1.7 C1CC(NC1)C(=O)O P140375 [0,1,0,1,0,0|0,0,0]=2 1707 B8R1.7 C1CC(NC1)C(=O)O P477766 [0,1,0,1,0,0|0,0,0]=2 1708 B8R1.7 C1CC(OC1)C(=O)N S469270 [0,1,0,1,0,0|2,0,0]=4 1709 B8R1.7 C1CC(OC1)C(=O)O R160850 [0,1,0,1,0,0|1,0,0]=3 1710 B8R1.7 C1CC(OC1)C(=O)O S161338 [0,1,0,1,0,0|1,0,0]=3 1711 B8R1.7 C1CC(OC1)C(=O)O T161757 [0,1,0,1,0,0|1,0,0]=3 1712 B8R1.7 C1CC=C(C1)C(=O)O C153747 [0,1,0,1,0,0|1,0,0]=3 1713 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [0,1,0,1,0,0|2,0,0]=4 1714 B8R1.7 C1CCC(C1)C(=O)N C357646 [0,1,0,1,0,0|2,0,0]=4 1715 B8R1.7 C1CCC(C1)C(=O)O C104489 [0,1,0,1,0,0|1,0,0]=3 1716 B8R1.7 C1CNCC1C(=O)O P176886 [0,1,0,1,0,0|0,0,0]=2 1717 B8R1.7 C1CNCC1C(=O)O P196048 [0,1,0,1,0,0|0,0,0]=2 1718 B8R1.7 C1CNCC1C(=O)O S134732 [0,1,0,1,0,0|0,0,0]=2 1719 B8R1.7 C1CNCC1C(=O)O S137345 [0,1,0,1,0,0|0,0,0]=2 1720 B8R1.7 C1COCC1C(=O)O R194491 [0,1,0,1,0,0|1,0,0]=3 1721 B8R1.7 C1COCC1C(=O)O T135700 [0,1,0,1,0,0|1,0,0]=3 1722 B8R1.7 C1CSC(N1)C(=O)O T162356 [0,1,0,1,0,0|0,0,0]=2 1723 B8R1.7 CC(=O)C1CCCC1 C194132 [0,1,0,1,0,0|2,0,0]=4 1724 B8R1.7 CC(=O)N1CCCC1 A151303 [0,1,0,1,0,0|2,0,0]=4 1725 B8R1.35 C1CC1C#CC(=O)O C467393 [0,1,0,1,0,0|1,0,1]=4 1726 B8R1.35 C1CC1C=CC(=O)O C176819 [0,1,0,1,0,0|1,0,1]=4 1727 B8R1.72 C1CCS(=O)(=O)NC1 B184097 [0,1,0,1,0,0|1,0,1]=4 1728 B8R1.72 C1CCS(=O)(=O)OC1 B152091 [0,1,0,1,0,0|2,0,0]=4 1729 B8R1.72 C1CS(=O)(=O)NCN1 T344138 [0,1,0,1,0,0|1,0,1]=4 1730 B8R1.72 CC1(CCCNC1)O M176551 [0,1,0,1,0,0|1,0,1]=4 1731 B8R1.72 CC1(CCCNC1)O M492417 [0,1,0,1,0,0|1,0,1]=4 1732 B8R1.23 C1C(CC1=O)C(=O)O O129102 [0,1,0,1,0,0|1,0,1]=4 1733 B8R1.23 C=C1CC(C1)C(=O)O M174562 [0,1,0,1,0,0|1,0,1]=4 1734 B8R1.23 CN1CC(C1)C(=O)O M177850 [0,1,0,1,0,0|2,0,0]=4 1735 B8R1.54 C1CC1C(C(=O)O)N S170587 [0,1,0,1,0,0|1,0,0]=3 1736 B8R1.78 C1CC(C1)(C(=O)O)N A102435 [0,1,0,1,0,0|1,0,0]=3 1737 B8R1.78 C1CC(C1)(C(=O)O)N A151474 [0,1,0,1,0,0|1,0,0]=3 1738 B8R1.78 C1CC(C1)(C(=O)O)O H176443 [0,1,0,1,0,0|1,0,0]=3 1739 B8R1.78 CC1(CCC1)C(=O)O M176146 [0,1,0,1,0,0|1,0,0]=3 1740 B8R1.78 CC1(COC1)C(=O)O M136535 [0,1,0,1,0,0|2,0,0]=4 1741 B8R1.77 C1C(C1(F)F)C(=O)O D165818 [0,1,0,1,0,0|1,0,0]=3 1742 B8R1.77 CC1(CC1C(=O)N)C D102248 [0,1,0,1,0,0|2,0,0]=4 1743 B8R1.77 CC1(CC1C(=O)O)C D194933 [0,1,0,1,0,0|1,0,0]=3 1744 B8R1.77 CC1(CC1C(=O)O)C S161036 [0,1,0,1,0,0|1,0,0]=3