0 B8R0.5 CC(C)OC(=O)OCCl C122340 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CCCC(=O)CC(C)C M158863 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.5 CCCC(=O)OC(C)C I157502 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.5 CCCC(C)CC(=C)C D155264 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.5 CCOC(=O)C=C(C)C E156154 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.5 CCOC(=O)C=C(C)N E101139 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.5 CCOC(=O)C=C(C)N E136853 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.5 CCOC(=O)CC(=N)N A185319 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.5 CCOC(=O)CC(=O)C E103937 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.5 CCOC(=O)CC(=O)C E103939 [0,0,0,0,0,0|0,0,0]=0 10 B8R0.5 CCOC(=O)CC(=O)C E474098 [0,0,0,0,0,0|0,0,0]=0 11 B8R0.5 CCOC(=O)CC(=O)Cl E122639 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.5 CCOC(=O)CC(=O)N E194938 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.5 CCOC(=O)CC(=O)O M158864 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.5 CCOC(=O)CC(=O)[O-] M158631 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.5 CCOC(=O)CC(=S)N E190709 [0,0,0,0,0,0|1,1,0]=2 16 B8R0.5 CCOC(=O)CC(C)C E108583 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.5 CCOC(=O)CC(C)C E108585 [0,0,0,0,0,0|1,0,1]=2 18 B8R0.5 CCOC(=O)CC(C)N E170814 [0,0,0,0,0,0|1,0,1]=2 19 B8R0.5 CCOC(=O)CC(C)O E101452 [0,0,0,0,0,0|0,0,2]=2 20 B8R0.5 CCOC(=O)CC(C)O E118391 [0,0,0,0,0,0|0,0,2]=2 21 B8R0.5 CCOC(=O)CC(C)O E156467 [0,0,0,0,0,0|0,0,2]=2 22 B8R0.5 CCOC(=O)CN(C)C E136550 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.5 CCOC(=O)C[N+](=O)[O-] E110257 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.5 CCOC(=O)C[S+](C)C E170751 [0,0,0,0,0,0|2,0,0]=2 25 B8R0.5 CCOC(=O)NC(=O)N E113456 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.5 CCOC(=O)OC(C)Cl C102108 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.5 CCO\C(=C\C(=O)C)\[O-] A354450 [0,0,0,0,0,0|0,0,2]=2 28 B7R0.2 CC(=CC(=O)OC)C M102001 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.2 CC(=CC(=O)OC)N A102015 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.2 CC(=O)/C=C(/C)O[Rh] A118542 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.2 CC(=O)/C=C(/C)O[Rh] A293954 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.2 CC(=O)CC(=O)OC M108598 [1,0,0,0,0,0|0,0,0]=1 33 B7R0.2 CC(=O)CC(=O)OC M108599 [1,0,0,0,0,0|0,0,0]=1 34 B7R0.2 CC(=O)CC(=O)OC M108601 [1,0,0,0,0,0|0,0,0]=1 35 B7R0.2 CC(=O)NC(=O)NC A151230 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.2 CC(C)CC(=O)OC M157988 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.2 CC(CC(=O)OC)N R190811 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.2 CC(CC(=O)OC)N S587134 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.2 CC(CC(=O)OC)O H124084 [1,0,0,0,0,0|0,0,2]=3 40 B7R0.2 CC(CC(=O)OC)O H124101 [1,0,0,0,0,0|0,0,2]=3 41 B7R0.2 CCC(=O)CC(=O)C H192611 [1,0,0,0,0,0|0,0,0]=1 42 B7R0.2 CCC(=O)CC(C)C E156458 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.2 CCC(=O)OC(C)C I157496 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.2 CCC(C)CC(=O)O M109883 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.2 CCC(C)OC(=O)C B108576 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.2 CCC(C)OC(=O)C B108578 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.2 CCC(CC(=O)O)N A191758 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.2 CCC(CC(=O)O)N I167296 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.2 CN(C)CC(=O)OC N304465 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.2 COC(=O)CC(=O)Cl M106674 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.2 COC(=O)CC(=O)Cl M489935 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.2 COC(=O)CC(=O)Cl M615708 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.2 COC(=O)CC(=O)O M132669 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.2 COC(=O)CC(=O)[O-] H135114 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.2 COC(=O)C[N+](=O)[O-] M158866 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [1,0,0,0,0,0|0,0,2]=3 57 B7R0.4 CC(=O)CCCCCl C108058 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.4 CC=CC=CC(=O)C H156931 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.4 CCC=CCC(=O)O H101494 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.4 CCCC=CC(=O)C H156932 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.4 CCCC=CC(=O)O H107513 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.4 CCCC=CC(=O)O H400070 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.4 CCCCCC(=C)C M158504 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.4 CCCCCC(=O)N H157108 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.4 CCCCCC(=O)O H103630 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.4 CCCCCC(=O)O H103631 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.4 CCCCCC(=O)O H103632 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.4 CCCCCC(=O)O H278778 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.4 CCCCCC(=O)O H432079 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.4 CCCCOC(=O)C B116224 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.4 CCCCOC(=O)C B116225 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.4 CCCCOC(=O)C B116227 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.4 CCCCOC(=O)C B116228 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.4 CCCCOC(=O)C B119685 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.4 CCOC=CC(=O)O E185593 [1,0,0,0,0,0|1,0,1]=3 81 B7R0.4 CCOCCC(=O)C E156453 [1,0,0,0,0,0|0,0,1]=2 82 B7R0.4 CCOCCC(=O)O E156172 [1,0,0,0,0,0|1,0,1]=3 83 B7R0.7 CC=CC(=O)OC=C V162948 [1,0,0,0,0,0|0,0,3]=4 84 B7R0.7 CCCC(=O)CCC H103840 [1,0,0,0,0,0|1,0,1]=3 85 B7R0.7 CCCC(=O)CCC H103841 [1,0,0,0,0,0|1,0,1]=3 86 B7R0.7 CCCC(=O)OC=C V162944 [1,0,0,0,0,0|0,0,3]=4 87 B7R0.7 CCCC(=O)OCC E101116 [1,0,0,0,0,0|0,0,1]=2 88 B7R0.7 CCCC(=O)OCC E101117 [1,0,0,0,0,0|0,0,1]=2 89 B7R0.7 CCCC(=O)OCC E101119 [1,0,0,0,0,0|0,0,1]=2 90 B7R0.7 CCCC(=O)OCCl C153957 [1,0,0,0,0,0|1,0,1]=3 91 B7R0.7 CCNC(=O)CC#N C181647 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.7 CCNC(=O)NCC D108032 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.7 CCOC(=O)C#CC E106247 [1,0,0,0,0,0|0,0,2]=3 94 B7R0.7 CCOC(=O)C=CC E156252 [1,0,0,0,0,0|0,0,1]=2 95 B7R0.7 CCOC(=O)C=C[O-] E176875 [1,0,0,0,0,0|0,0,2]=3 96 B7R0.7 CCOC(=O)C=[N+]=[N-] E100922 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.7 CCOC(=O)CC#N E105739 [1,0,0,0,0,0|1,0,1]=3 98 B7R0.7 CCOC(=O)CC#N E105740 [1,0,0,0,0,0|1,0,1]=3 99 B7R0.7 CCOC(=O)CC=C E587504 [1,0,0,0,0,0|0,0,1]=2 100 B7R0.7 CCOC(=O)CCBr E106956 [1,0,0,0,0,0|1,0,1]=3 101 B7R0.7 CCOC(=O)CCCl E100652 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.7 CCOC(=O)CCI E185756 [1,0,0,0,0,0|1,0,1]=3 103 B7R0.7 CCOC(=O)CCN A100434 [1,0,0,0,0,0|1,0,1]=3 104 B7R0.7 CCOC(=O)CCO E185621 [1,0,0,0,0,0|0,0,2]=3 105 B7R0.7 CCOC(=O)CCS E119585 [1,0,0,0,0,0|0,1,1]=3 106 B7R0.7 CCOC(=O)CC[CH2-] E465885 [1,0,0,0,0,0|0,0,2]=3 107 B7R0.7 CCOC(=O)CNC E115901 [1,0,0,0,0,0|1,0,0]=2 108 B7R0.7 CCOC(=O)CNN E134414 [1,0,0,0,0,0|2,0,0]=3 109 B7R0.7 CCOC(=O)COC E136304 [1,0,0,0,0,0|1,0,0]=2 110 B7R0.7 CCOC(=O)CSC E156475 [1,0,0,0,0,0|1,0,0]=2 111 B7R0.7 CCOC(=O)C[N+]#[C-] E156037 [1,0,0,0,0,0|1,0,1]=3 112 B7R0.7 CCOC(=O)C[N+]#[C-] E400243 [1,0,0,0,0,0|1,0,1]=3 113 B7R0.7 CCOC(=O)N=C=S E123540 [1,0,0,0,0,0|1,1,1]=4 114 B7R0.7 CCOC(=O)N=C=S E638552 [1,0,0,0,0,0|1,1,1]=4 115 B7R0.7 CCOC(=O)OCC D103040 [1,0,0,0,0,0|1,0,1]=3 116 B7R0.7 CCOC(=O)OCCl C192930 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.7 CCOS(=O)OCC D122901 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.7 CCO[P+](=O)OCC D109100 [1,0,0,0,0,0|2,0,1]=4 119 B9R0.4 CC(=O)CC(=O)OCC=C A111254 [0,1,0,0,0,0|0,0,1]=2 120 B9R0.4 CC(=O)CC(=O)OCC=C A298696 [0,1,0,0,0,0|0,0,1]=2 121 B9R0.4 CCCOC(=O)CC(=O)C P160059 [0,1,0,0,0,0|0,0,0]=1 122 B9R0.4 CCCOC(=O)CC(C)C D303979 [0,1,0,0,0,0|1,0,1]=3 123 B9R0.6 CCOC(=O)C(=O)C(C)Br B194008 [0,1,0,0,0,0|1,0,2]=4 124 B9R0.6 CCOC(=O)C(=O)C(C)C E302716 [0,1,0,0,0,0|1,0,2]=4 125 B9R0.6 CCOC(=O)C(=O)N(C)C E167788 [0,1,0,0,0,0|2,0,1]=4 126 B9R0.6 CCOC(=O)C(C(=O)C)Cl E124653 [0,1,0,0,0,0|0,0,0]=1 127 B9R0.6 CCOC(=O)C(C(=O)C)F E156450 [0,1,0,0,0,0|0,0,0]=1 128 B9R0.6 CCOC(=O)C(C(C)Br)Br E156140 [0,1,0,0,0,0|1,0,1]=3 129 B9R0.6 CCOC(=O)C(C(C)C)Br E156152 [0,1,0,0,0,0|1,0,1]=3 130 B9R0.6 CCOC(=O)C(C(C)C)N V117195 [0,1,0,0,0,0|1,0,1]=3 131 B9R0.6 CCOC(=O)C(C)C(=O)C E156155 [0,1,0,0,0,0|0,0,0]=1 132 B9R0.6 CCOC(=O)C(C)C(=O)[O-] P586210 [0,1,0,0,0,0|1,0,0]=2 133 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] E169050 [0,1,0,0,0,0|2,0,0]=3 134 B9R0.23 CC(=O)CC(=O)C(=O)OC M132958 [0,1,0,0,0,0|2,0,0]=3 135 B9R0.34 CCC(=O)CC(=O)OCC E122416 [0,1,0,0,0,0|0,0,0]=1 136 B9R0.34 CCC(C)CC(=O)OCC E117866 [0,1,0,0,0,0|1,0,1]=3 137 B9R0.34 CCCC(=O)CC(=O)OC M158148 [0,1,0,0,0,0|1,0,0]=2 138 B9R0.34 CCOC(=O)C=C(C)C=O E501148 [0,1,0,0,0,0|0,0,1]=2 139 B9R0.34 CCOC(=O)CC(=O)CCl E156137 [0,1,0,0,0,0|0,0,0]=1 140 B9R0.34 CCOC(=O)CC(=O)NN E169463 [0,1,0,0,0,0|1,0,0]=2 141 B9R0.34 CCOC(=O)CC(CCl)O C108078 [0,1,0,0,0,0|0,0,2]=3 142 B9R0.34 CCOC(=O)CC(CCl)O C108079 [0,1,0,0,0,0|0,0,2]=3 143 B9R0.34 COCC(=O)CC(=O)OC M119946 [0,1,0,0,0,0|2,0,0]=3 144 B9R0.44 CCOC(=O)CC(C)(C)C E156145 [0,1,0,0,0,0|1,0,1]=3 145 B9R0.44 CCOC(=O)CC(F)(F)F E588837 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.44 CCOC(=O)C[Si](C)(C)C E110223 [0,1,0,0,0,0|1,1,0]=3 147 B9R0.53 CC(C)CC(=O)CC(C)C D111077 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.53 CC(C)CC(=O)CC(C)C D111078 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.53 CC(C)CC(=O)CC(C)C D616294 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.53 CC(C)CC(C)CC(=O)C D301469 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.53 CC(C)OC(=O)C=C(C)N I157696 [0,1,0,0,0,0|1,0,1]=3 152 B9R0.53 CC(C)OC(=O)CC(=O)C I111058 [0,1,0,0,0,0|0,0,0]=1 153 B9R0.53 CC(C)OC(=O)OC(C)Cl C153281 [0,1,0,0,0,0|2,0,1]=4 154 B9R1.7 CCOC1=CC(=O)CC1 E344140 [0,0,0,1,0,0|1,0,1]=3 155 B9R1.13 C1CC(OC1)CC(=O)O T354856 [0,0,0,1,0,0|2,0,1]=4 156 B9R1.22 CCC1C(=O)NC(=O)N1 E156340 [0,0,0,1,0,0|3,0,0]=4 157 B9R1.34 CC1CC(=CC(=O)C1)C D338929 [0,0,0,1,0,0|2,0,1]=4 158 B9R1.34 CC1CC(=O)CC(=O)C1 M158841 [0,0,0,1,0,0|1,0,0]=2 159 B9R1.34 CC1CC(=O)OC(=O)C1 M158784 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.34 CC1CC(CC(=O)C1)C D138533 [0,0,0,1,0,0|2,0,1]=4 161 B9R1.34 CN1CC(=O)OC(=O)C1 M468701 [0,0,0,1,0,0|3,0,0]=4 162 B9R1.41 CC(=O)C1CCCC1=O A100983 [0,0,0,1,0,0|1,0,0]=2 163 B9R1.41 CC(=O)C1CCCC1=O A489643 [0,0,0,1,0,0|1,0,0]=2 164 B9R1.41 CC(=O)C1CCOC1=O A108065 [0,0,0,1,0,0|0,0,0]=1 165 B9R1.41 CC(=O)N1CCCC1=O A151305 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.41 CC(=O)N1CCNC1=O A133901 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.41 CC(=O)N1CCOC1=O A474228 [0,0,0,1,0,0|1,0,0]=2 168 B9R1.41 CC(=O)N1CCSC1=S A151215 [0,0,0,1,0,0|1,2,0]=4 169 B9R1.48 C1CCC(=O)CC(=O)C1 W134267 [0,0,0,1,0,0|1,0,0]=2 170 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.66 CC1(CCCC(=O)C1)C D138628 [0,0,0,1,0,0|2,0,1]=4 172 B9R1.66 CC1(CCOC(=O)C1)O D304342 [0,0,0,1,0,0|0,0,2]=3 173 B9R1.75 CCOC(=O)CC1CC1 E176712 [0,0,0,1,0,0|1,0,1]=3 174 B9R1.137 CC(=O)CC(=O)C1CC1 C168614 [0,0,0,1,0,0|1,0,0]=2 175 B7R0.5 CC(=C)C(=O)NCO N404587 [0,0,0,0,1,0|3,0,0]=4 176 B7R0.5 CC(=C)C(=O)OC=C V162960 [0,0,0,0,1,0|1,0,2]=4 177 B7R0.5 CCC=C(C)C(=O)O M102542 [0,0,0,0,1,0|3,0,0]=4 178 B7R0.5 CCC=C(C)C(=O)O M107371 [0,0,0,0,1,0|3,0,0]=4 179 B7R0.5 CCCC(=O)C(=O)C H106696 [0,0,0,0,1,0|1,0,0]=2 180 B7R0.5 CCCC(=O)C(=O)O O159954 [0,0,0,0,1,0|2,0,0]=3 181 B7R0.5 CCCC(C)C(=O)C M158798 [0,0,0,0,1,0|2,0,1]=4 182 B7R0.5 CCOC(=O)C(=C)C E103001 [0,0,0,0,1,0|1,0,0]=2 183 B7R0.5 CCOC(=O)C(=C)C E103002 [0,0,0,0,1,0|1,0,0]=2 184 B7R0.5 CCOC(=O)C(=C)C E492609 [0,0,0,0,1,0|1,0,0]=2 185 B7R0.5 CCOC(=O)C(=O)C E113332 [0,0,0,0,1,0|0,0,0]=1 186 B7R0.5 CCOC(=O)C(=O)Cl E109372 [0,0,0,0,1,0|1,0,0]=2 187 B7R0.5 CCOC(=O)C(=O)N E156399 [0,0,0,0,1,0|1,0,0]=2 188 B7R0.5 CCOC(=O)C(=O)[O-] E156500 [0,0,0,0,1,0|1,0,0]=2 189 B7R0.5 CCOC(=O)C(=S)N E101723 [0,0,0,0,1,0|1,1,0]=3 190 B7R0.5 CCOC(=O)C(Br)Br E331036 [0,0,0,0,1,0|2,0,1]=4 191 B7R0.5 CCOC(=O)C(C)Br E106089 [0,0,0,0,1,0|1,0,1]=3 192 B7R0.5 CCOC(=O)C(C)Br E400066 [0,0,0,0,1,0|1,0,1]=3 193 B7R0.5 CCOC(=O)C(C)C E156123 [0,0,0,0,1,0|1,0,1]=3 194 B7R0.5 CCOC(=O)C(C)Cl E100647 [0,0,0,0,1,0|1,0,1]=3 195 B7R0.5 CCOC(=O)C(C)F E135615 [0,0,0,0,1,0|1,0,1]=3 196 B7R0.5 CCOC(=O)C(C)I E156364 [0,0,0,0,1,0|1,0,1]=3 197 B7R0.5 CCOC(=O)C(C)N A109010 [0,0,0,0,1,0|1,0,1]=3 198 B7R0.5 CCOC(=O)C(C)N A117183 [0,0,0,0,1,0|1,0,1]=3 199 B7R0.5 CCOC(=O)C(C)N D304158 [0,0,0,0,1,0|1,0,1]=3 200 B7R0.5 CCOC(=O)C(C)O E104551 [0,0,0,0,1,0|0,0,2]=3 201 B7R0.5 CCOC(=O)C(C)O E104553 [0,0,0,0,1,0|0,0,2]=3 202 B7R0.5 CCOC(=O)C(C)O E104554 [0,0,0,0,1,0|0,0,2]=3 203 B7R0.5 CCOC(=O)C(C)O E108228 [0,0,0,0,1,0|0,0,2]=3 204 B7R0.5 CCOC(=O)C(C)O E108230 [0,0,0,0,1,0|0,0,2]=3 205 B7R0.5 CCOC(=O)C(C)O E465744 [0,0,0,0,1,0|0,0,2]=3 206 B7R0.5 CCOC(=O)C(C)S E156189 [0,0,0,0,1,0|0,1,1]=3 207 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [0,0,0,0,1,0|2,0,1]=4 208 B7R0.5 CCOC(=O)C(F)Br E102105 [0,0,0,0,1,0|2,0,1]=4 209 B7R0.5 CCOC(=O)C(F)Cl E138797 [0,0,0,0,1,0|2,0,1]=4 210 B7R0.5 CCOC(=O)C(F)F E101733 [0,0,0,0,1,0|2,0,1]=4 211 B7R0.5 CCOC(=O)C(F)F E616466 [0,0,0,0,1,0|2,0,1]=4 212 B7R0.5 CCOC(=O)C(F)I E331038 [0,0,0,0,1,0|2,0,1]=4 213 B9R0.48 CCCC(=O)OCC(C)C I157497 [0,0,0,0,0,1|2,0,1]=4 214 B9R0.48 CCOC(=O)C=CC(=O)Cl E131474 [0,0,0,0,0,1|1,0,1]=3 215 B9R0.48 CCOC(=O)C=CC(=O)O M157991 [0,0,0,0,0,1|1,0,1]=3 216 B9R0.48 CCOC(=O)C=CC(=O)O Z135126 [0,0,0,0,0,1|1,0,1]=3 217 B9R0.48 CCOC(=O)C=CN(C)C D107986 [0,0,0,0,0,1|2,0,1]=4 218 B9R0.48 CCOC(=O)CCC(=O)C E117674 [0,0,0,0,0,1|0,0,0]=1 219 B9R0.48 CCOC(=O)CCC(=O)Cl E131894 [0,0,0,0,0,1|1,0,0]=2 220 B9R0.48 CCOC(=O)CCC(=O)O M102994 [0,0,0,0,0,1|1,0,0]=2 221 B9R0.48 CCOC(=O)CCC(C)C E169064 [0,0,0,0,0,1|1,0,1]=3 222 B9R0.48 CCOC(=O)CNC(=O)C A109217 [0,0,0,0,0,1|0,0,0]=1 223 B6R0.1 CC#CC(=O)OC M158860 [2,0,0,0,0,0|0,0,2]=4 224 B6R0.1 CC=CC(=O)OC M109486 [2,0,0,0,0,0|0,0,1]=3 225 B6R0.1 CCC(=O)C=CC E404567 [2,0,0,0,0,0|0,0,1]=3 226 B6R0.1 CCC(=O)C=CC H111425 [2,0,0,0,0,0|0,0,1]=3 227 B6R0.1 CCC(=O)OC=C V162937 [2,0,0,0,0,0|0,0,2]=4 228 B6R0.1 CCC(=O)OCC E103457 [2,0,0,0,0,0|0,0,0]=2 229 B6R0.1 CCC(=O)OCC E103458 [2,0,0,0,0,0|0,0,0]=2 230 B6R0.1 CCC(=O)OCC E103459 [2,0,0,0,0,0|0,0,0]=2 231 B6R0.1 CCC(=O)OCC E103460 [2,0,0,0,0,0|0,0,0]=2 232 B6R0.1 CCC(=O)OCC E278958 [2,0,0,0,0,0|0,0,0]=2 233 B6R0.1 CCC(=O)SCC S133123 [2,0,0,0,0,0|0,1,0]=3 234 B6R0.1 CCC(C)OCC S161060 [2,0,0,0,0,0|1,0,1]=4 235 B6R0.1 CCC=C(C)C=O M102187 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.1 CCCC(=O)CC H106710 [2,0,0,0,0,0|0,0,1]=3 237 B6R0.1 CCCC(=O)OC M100038 [2,0,0,0,0,0|0,0,1]=3 238 B6R0.1 CCCC(=O)OC M100039 [2,0,0,0,0,0|0,0,1]=3 239 B6R0.1 CCCC(=O)OC M100040 [2,0,0,0,0,0|0,0,1]=3 240 B6R0.1 CCCC(=O)SC M102997 [2,0,0,0,0,0|0,1,1]=4 241 B6R0.1 CCNC(=O)C=C N136947 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.1 CCOC(=O)C#C E107738 [2,0,0,0,0,0|0,0,2]=4 243 B6R0.1 CCOC(=O)C#C E357742 [2,0,0,0,0,0|0,0,2]=4 244 B6R0.1 CCOC(=O)C#N E106582 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.1 CCOC(=O)C#N E298724 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.1 CCOC(=O)C=C E112943 [2,0,0,0,0,0|0,0,1]=3 247 B6R0.1 CCOC(=O)C=C E112944 [2,0,0,0,0,0|0,0,1]=3 248 B6R0.1 CCOC(=O)C=C E112945 [2,0,0,0,0,0|0,0,1]=3 249 B6R0.1 CCOC(=O)C=C E465763 [2,0,0,0,0,0|0,0,1]=3 250 B6R0.1 CCOC(=O)C=O E106246 [2,0,0,0,0,0|0,0,0]=2 251 B6R0.1 CCOC(=O)CBr E106090 [2,0,0,0,0,0|1,0,0]=3 252 B6R0.1 CCOC(=O)CCl E105166 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.1 CCOC(=O)CCl E105167 [2,0,0,0,0,0|1,0,0]=3 254 B6R0.1 CCOC(=O)CF E107563 [2,0,0,0,0,0|1,0,0]=3 255 B6R0.1 CCOC(=O)CN G105477 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.1 CCOC(=O)CO E101730 [2,0,0,0,0,0|0,0,1]=3 257 B6R0.1 CCOC(=O)CS E109439 [2,0,0,0,0,0|0,1,0]=3 258 B6R0.1 CCOC(=O)NN E133700 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.1 CCOC(=O)OC E110111 [2,0,0,0,0,0|1,0,0]=3 260 B6R0.1 CCOC(=O)OC E433135 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.1 COC(=O)C=CI E589680 [2,0,0,0,0,0|1,0,1]=4 262 B6R0.1 COC(=O)CC#N M110112 [2,0,0,0,0,0|1,0,1]=4 263 B6R0.1 COC(=O)CC=C M341924 [2,0,0,0,0,0|0,0,1]=3 264 B6R0.1 COC(=O)CCBr M158830 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.1 COC(=O)CCN A104532 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.1 COC(=O)CCO D304149 [2,0,0,0,0,0|0,0,2]=4 267 B6R0.1 COC(=O)CCS M107600 [2,0,0,0,0,0|0,1,1]=4 268 B6R0.1 COC(=O)CSC M120419 [2,0,0,0,0,0|1,0,0]=3 269 B6R0.1 COC(=O)C[N+]#[C-] M157837 [2,0,0,0,0,0|1,0,1]=4 270 B6R0.1 COC(=O)OCCl C347908 [2,0,0,0,0,0|2,0,0]=4 271 B6R0.1 COCC(=O)OC M106398 [2,0,0,0,0,0|1,0,0]=3 272 B6R0.2 C(C(=O)Cl)C(=O)Cl M104009 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.2 C(C(=O)N)C(=O)N M104019 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.2 C(C(=O)N)C(=O)O M168857 [2,0,0,0,0,0|1,0,0]=3 275 B6R0.2 C(C(=O)O)C(=O)O M103513 [2,0,0,0,0,0|1,0,0]=3 276 B6R0.2 C(C(=O)O)C(=O)O M103514 [2,0,0,0,0,0|1,0,0]=3 277 B6R0.2 C(C(=O)O)C(=O)O M305754 [2,0,0,0,0,0|1,0,0]=3 278 B6R0.2 C(C(=O)O)C(=O)O M421547 [2,0,0,0,0,0|1,0,0]=3 279 B6R0.2 C(C(=O)[O-])C(=O)[O-] S104172 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.2 C(C(=O)[O-])C(=O)[O-] S140213 [2,0,0,0,0,0|1,0,1]=4 281 B6R0.2 CC(=C)OC(=O)C I108612 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.2 CC(=CC(=O)C)C M105926 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.2 CC(=CC(=O)C)C M105927 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.2 CC(=CC(=O)C)C M105928 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.2 CC(=CC(=O)C)N F156686 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.2 CC(=CC(=O)C)O A118525 [2,0,0,0,0,0|0,0,2]=4 287 B6R0.2 CC(=CC(=O)C)O A118538 [2,0,0,0,0,0|0,0,2]=4 288 B6R0.2 CC(=CC(=O)C)O A579873 [2,0,0,0,0,0|0,0,2]=4 289 B6R0.2 CC(=CC(=O)C)O B152272 [2,0,0,0,0,0|0,0,2]=4 290 B6R0.2 CC(=CC(=O)C)O C109323 [2,0,0,0,0,0|0,0,2]=4 291 B6R0.2 CC(=CC(=O)C)O C140817 [2,0,0,0,0,0|0,0,2]=4 292 B6R0.2 CC(=CC(=O)C)O C283471 [2,0,0,0,0,0|0,0,2]=4 293 B6R0.2 CC(=CC(=O)C)O C486854 [2,0,0,0,0,0|0,0,2]=4 294 B6R0.2 CC(=CC(=O)C)O D302912 [2,0,0,0,0,0|0,0,2]=4 295 B6R0.2 CC(=CC(=O)C)O E302901 [2,0,0,0,0,0|0,0,2]=4 296 B6R0.2 CC(=CC(=O)C)O E347622 [2,0,0,0,0,0|0,0,2]=4 297 B6R0.2 CC(=CC(=O)C)O G304265 [2,0,0,0,0,0|0,0,2]=4 298 B6R0.2 CC(=CC(=O)C)O H107857 [2,0,0,0,0,0|0,0,2]=4 299 B6R0.2 CC(=CC(=O)C)O I138305 [2,0,0,0,0,0|0,0,2]=4 300 B6R0.2 CC(=CC(=O)C)O I294571 [2,0,0,0,0,0|0,0,2]=4 301 B6R0.2 CC(=CC(=O)C)O M106182 [2,0,0,0,0,0|0,0,2]=4 302 B6R0.2 CC(=CC(=O)C)O P101065 [2,0,0,0,0,0|0,0,2]=4 303 B6R0.2 CC(=CC(=O)C)O P119025 [2,0,0,0,0,0|0,0,2]=4 304 B6R0.2 CC(=CC(=O)C)O P119026 [2,0,0,0,0,0|0,0,2]=4 305 B6R0.2 CC(=CC(=O)C)O P293928 [2,0,0,0,0,0|0,0,2]=4 306 B6R0.2 CC(=CC(=O)C)O R118502 [2,0,0,0,0,0|0,0,2]=4 307 B6R0.2 CC(=CC(=O)C)O R118539 [2,0,0,0,0,0|0,0,2]=4 308 B6R0.2 CC(=CC(=O)C)O R118540 [2,0,0,0,0,0|0,0,2]=4 309 B6R0.2 CC(=CC(=O)C)O R294372 [2,0,0,0,0,0|0,0,2]=4 310 B6R0.2 CC(=CC(=O)C)O R639975 [2,0,0,0,0,0|0,0,2]=4 311 B6R0.2 CC(=CC(=O)C)O S298504 [2,0,0,0,0,0|0,0,2]=4 312 B6R0.2 CC(=CC(=O)C)O T283063 [2,0,0,0,0,0|0,0,2]=4 313 B6R0.2 CC(=CC(=O)C)O T302818 [2,0,0,0,0,0|0,0,2]=4 314 B6R0.2 CC(=CC(=O)C)O T302908 [2,0,0,0,0,0|0,0,2]=4 315 B6R0.2 CC(=CC(=O)C)O V109324 [2,0,0,0,0,0|0,0,2]=4 316 B6R0.2 CC(=CC(=O)C)O V109325 [2,0,0,0,0,0|0,0,2]=4 317 B6R0.2 CC(=CC(=O)C)O Y191992 [2,0,0,0,0,0|0,0,2]=4 318 B6R0.2 CC(=CC(=O)C)O Y283039 [2,0,0,0,0,0|0,0,2]=4 319 B6R0.2 CC(=CC(=O)C)[O-] B107855 [2,0,0,0,0,0|0,0,2]=4 320 B6R0.2 CC(=CC(=O)C)[O-] B109340 [2,0,0,0,0,0|0,0,2]=4 321 B6R0.2 CC(=CC(=O)C)[O-] B152965 [2,0,0,0,0,0|0,0,2]=4 322 B6R0.2 CC(=CC(=O)C)[O-] B283467 [2,0,0,0,0,0|0,0,2]=4 323 B6R0.2 CC(=CC(=O)C)[O-] C100527 [2,0,0,0,0,0|0,0,2]=4 324 B6R0.2 CC(=CC(=O)C)[O-] C432320 [2,0,0,0,0,0|0,0,2]=4 325 B6R0.2 CC(=CC(=O)C)[O-] H302906 [2,0,0,0,0,0|0,0,2]=4 326 B6R0.2 CC(=CC(=O)C)[O-] I106157 [2,0,0,0,0,0|0,0,2]=4 327 B6R0.2 CC(=CC(=O)C)[O-] L102502 [2,0,0,0,0,0|0,0,2]=4 328 B6R0.2 CC(=CC(=O)C)[O-] M107860 [2,0,0,0,0,0|0,0,2]=4 329 B6R0.2 CC(=CC(=O)C)[O-] N105676 [2,0,0,0,0,0|0,0,2]=4 330 B6R0.2 CC(=CC(=O)C)[O-] N107859 [2,0,0,0,0,0|0,0,2]=4 331 B6R0.2 CC(=CC(=O)C)[O-] N359157 [2,0,0,0,0,0|0,0,2]=4 332 B6R0.2 CC(=CC(=O)C)[O-] S488282 [2,0,0,0,0,0|0,0,2]=4 333 B6R0.2 CC(=CC(=O)C)[O-] T161967 [2,0,0,0,0,0|0,0,2]=4 334 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [2,0,0,0,0,0|0,0,2]=4 335 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [2,0,0,0,0,0|0,0,2]=4 336 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [2,0,0,0,0,0|0,0,2]=4 337 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [2,0,0,0,0,0|0,0,2]=4 338 B6R0.2 CC(=CC(=O)O)C D102028 [2,0,0,0,0,0|1,0,1]=4 339 B6R0.2 CC(=O)CC(=O)C A110366 [2,0,0,0,0,0|0,0,0]=2 340 B6R0.2 CC(=O)CC(=O)C A110367 [2,0,0,0,0,0|0,0,0]=2 341 B6R0.2 CC(=O)CC(=O)C A110370 [2,0,0,0,0,0|0,0,0]=2 342 B6R0.2 CC(=O)CC(=O)N A194123 [2,0,0,0,0,0|1,0,0]=3 343 B6R0.2 CC(=O)CC(=O)[O-] L102932 [2,0,0,0,0,0|0,0,1]=3 344 B6R0.2 CC(=O)CC(=O)[O-] L490061 [2,0,0,0,0,0|0,0,1]=3 345 B6R0.2 CC(=O)CN(C)C D167514 [2,0,0,0,0,0|2,0,0]=4 346 B6R0.2 CC(=O)NC(=O)N A114125 [2,0,0,0,0,0|2,0,0]=4 347 B6R0.2 CC(=O)OC(=O)C A302240 [2,0,0,0,0,0|1,0,0]=3 348 B6R0.2 CC(=O)OC(=O)C A474130 [2,0,0,0,0,0|1,0,0]=3 349 B6R0.2 CC(=O)SC(=O)C A151355 [2,0,0,0,0,0|1,0,0]=3 350 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [2,0,0,0,0,0|0,0,1]=3 351 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [2,0,0,0,0,0|0,0,1]=3 352 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [2,0,0,0,0,0|0,0,2]=4 353 B6R0.2 CC(C)CC(=O)C M108736 [2,0,0,0,0,0|1,0,1]=4 354 B6R0.2 CC(C)CC(=O)C M108737 [2,0,0,0,0,0|1,0,1]=4 355 B6R0.2 CC(C)CC(=O)C M108738 [2,0,0,0,0,0|1,0,1]=4 356 B6R0.2 CC(C)CC(=O)C M108740 [2,0,0,0,0,0|1,0,1]=4 357 B6R0.2 CC(C)CC(=O)C M108741 [2,0,0,0,0,0|1,0,1]=4 358 B6R0.2 CC(C)CC(=O)C M492092 [2,0,0,0,0,0|1,0,1]=4 359 B6R0.2 CC(C)CC(=O)O I108280 [2,0,0,0,0,0|1,0,1]=4 360 B6R0.2 CC(C)CC(=O)O I108281 [2,0,0,0,0,0|1,0,1]=4 361 B6R0.2 CC(C)CC(=O)O I424338 [2,0,0,0,0,0|1,0,1]=4 362 B6R0.2 CC(C)CC(=O)O I432771 [2,0,0,0,0,0|1,0,1]=4 363 B6R0.2 CC(CC(=O)O)Br B169132 [2,0,0,0,0,0|1,0,1]=4 364 B6R0.2 CC(CC(=O)O)Cl C153466 [2,0,0,0,0,0|1,0,1]=4 365 B6R0.2 CC(CC(=O)O)N A100948 [2,0,0,0,0,0|1,0,1]=4 366 B6R0.2 CC(CC(=O)O)N H117041 [2,0,0,0,0,0|1,0,1]=4 367 B6R0.2 CC(CC(=O)O)N R184127 [2,0,0,0,0,0|1,0,1]=4 368 B6R0.2 CC(CC(=O)O)N S193074 [2,0,0,0,0,0|1,0,1]=4 369 B6R0.2 CC(CC(=O)O)O P347707 [2,0,0,0,0,0|0,0,2]=4 370 B6R0.2 CC(CC(=O)O)O R304188 [2,0,0,0,0,0|0,0,2]=4 371 B6R0.2 CC(CC(=O)O)O R425172 [2,0,0,0,0,0|0,0,2]=4 372 B6R0.2 CC(CC(=O)O)O S161108 [2,0,0,0,0,0|0,0,2]=4 373 B6R0.2 CC(CC(=O)O)O S194215 [2,0,0,0,0,0|0,0,2]=4 374 B6R0.2 CN(C)CC(=O)O D115675 [2,0,0,0,0,0|2,0,0]=4 375 B6R0.2 CN(C)CC(=O)O N159831 [2,0,0,0,0,0|2,0,0]=4 376 B6R0.2 CN(C)CC(=O)O N420632 [2,0,0,0,0,0|2,0,0]=4 377 B6R0.4 CC(=O)C=COC M113467 [2,0,0,0,0,0|0,0,1]=3 378 B6R0.4 CC(=O)C=COC M434875 [2,0,0,0,0,0|0,0,1]=3 379 B6R0.4 CC(=O)CCCBr B345087 [2,0,0,0,0,0|1,0,1]=4 380 B6R0.4 CC(=O)CCCCl C108070 [2,0,0,0,0,0|1,0,1]=4 381 B6R0.4 CC(=O)CCSC M135087 [2,0,0,0,0,0|0,1,1]=4 382 B6R0.4 CC=CCC(=O)O P165142 [2,0,0,0,0,0|1,0,1]=4 383 B6R0.4 CCC=CC(=O)O T162309 [2,0,0,0,0,0|1,0,1]=4 384 B6R0.4 CCCCC(=O)Br V162931 [2,0,0,0,0,0|1,0,1]=4 385 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|0,0,1]=3 386 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|0,0,1]=3 387 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|0,0,1]=3 388 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|0,0,1]=3 389 B6R0.4 CCCCC(=O)Cl V107241 [2,0,0,0,0,0|1,0,1]=4 390 B6R0.4 CCCCC(=O)N V162967 [2,0,0,0,0,0|1,0,1]=4 391 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|1,0,1]=4 392 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|1,0,1]=4 393 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|1,0,1]=4 394 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|1,0,1]=4 395 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|1,0,1]=4 396 B6R0.4 CCCCC(=O)[O-] S194180 [2,0,0,0,0,0|1,0,1]=4 397 B6R0.4 CCCOC(=O)C P103882 [2,0,0,0,0,0|1,0,1]=4 398 B6R0.4 CCCOC(=O)C P103883 [2,0,0,0,0,0|1,0,1]=4 399 B6R0.4 CCCSC(=O)C S161333 [2,0,0,0,0,0|1,0,1]=4 400 B6R0.4 CCNCC(=O)O N159193 [2,0,0,0,0,0|2,0,0]=4 401 B6R0.4 CCOCC(=O)Cl E293992 [2,0,0,0,0,0|1,0,0]=3 402 B6R0.4 CCOCC(=O)O E156174 [2,0,0,0,0,0|1,0,0]=3 403 B6R0.4 CCOCC(C)O E110143 [2,0,0,0,0,0|0,0,2]=4 404 B6R0.4 CCSCC(=O)O E300419 [2,0,0,0,0,0|1,1,0]=4 405 B6R0.4 COCCC(=O)O M169065 [2,0,0,0,0,0|1,0,1]=4 406 B6R0.6 CCCC=CC=O H107633 [2,0,0,0,0,0|1,0,1]=4 407 B6R0.6 CCCC=CC=O T425385 [2,0,0,0,0,0|1,0,1]=4 408 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|1,0,1]=4 409 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|1,0,1]=4 410 B6R0.6 CCOCCOC E331012 [2,0,0,0,0,0|1,0,1]=4 411 B8R0.2 CC(=O)C(C(=O)OC)Cl M135839 [1,1,0,0,0,0|0,0,0]=2 412 B8R0.2 CC(C(C(=O)OC)N)O T117005 [1,1,0,0,0,0|0,0,2]=4 413 B8R0.2 CC(C)C(C(=O)OC)N D133919 [1,1,0,0,0,0|1,0,1]=4 414 B8R0.2 CC(C)C(C(=O)OC)N V105985 [1,1,0,0,0,0|1,0,1]=4 415 B8R0.2 CC(C)C(C(=O)OC)N V117182 [1,1,0,0,0,0|1,0,1]=4 416 B8R0.16 CC(=O)CC(OC)OC D100739 [1,1,0,0,0,0|0,0,2]=4 417 B8R0.16 CC(=O)CC(OC)OC D498461 [1,1,0,0,0,0|0,0,2]=4 418 B8R0.16 CCN(CC)CC(=O)C D167701 [1,1,0,0,0,0|2,0,0]=4 419 B8R0.19 C(C(=O)OC(=O)CCl)Cl C104819 [1,1,0,0,0,0|2,0,0]=4 420 B8R0.19 CC(=CC(=O)OC)NC M167026 [1,1,0,0,0,0|1,0,1]=4 421 B8R0.19 CC(=CC(=O)OC)OC E170426 [1,1,0,0,0,0|0,0,2]=4 422 B8R0.19 CCC(=O)CC(=O)CC H102410 [1,1,0,0,0,0|0,0,0]=2 423 B8R0.19 CCC(=O)CC(=O)OC M109572 [1,1,0,0,0,0|0,0,0]=2 424 B8R0.19 CCC(=O)OC(=O)CC P106800 [1,1,0,0,0,0|1,0,0]=3 425 B8R0.19 CCC(=O)OC(=O)CC P137907 [1,1,0,0,0,0|1,0,0]=3 426 B8R0.19 CCC(C)CC(=O)CC M158857 [1,1,0,0,0,0|1,0,1]=4 427 B8R0.19 CCC(CC(=O)OC)O M465384 [1,1,0,0,0,0|0,0,2]=4 428 B8R0.19 COC(=O)CC(=O)CCl M158829 [1,1,0,0,0,0|0,0,0]=2 429 B8R0.19 COC(=O)CC(=O)OC D103051 [1,1,0,0,0,0|0,0,0]=2 430 B8R0.19 COC(=O)OC(=O)OC D135145 [1,1,0,0,0,0|1,0,0]=3 431 B8R0.23 CC(=O)CC(=O)N(C)C N159276 [1,1,0,0,0,0|1,0,0]=3 432 B8R0.23 CC(C)CC(=O)C(C)C D154365 [1,1,0,0,0,0|1,0,1]=4 433 B8R0.24 COC(=O)CS(=O)(=O)C M123593 [1,1,0,0,0,0|1,0,0]=3 434 B8R0.24 COC(=O)CS(=O)(=O)Cl M589492 [1,1,0,0,0,0|2,0,0]=4 435 B8R0.24 COC(=O)C[Si](C)(C)C M342470 [1,1,0,0,0,0|1,1,0]=4 436 B8R0.34 CC(=O)CC(C)(C)OC M158819 [1,1,0,0,0,0|1,0,1]=4 437 B8R0.6 CCCC=CC(=O)OC M134288 [1,1,0,0,0,0|1,0,1]=4 438 B8R0.6 CCCCCC(=O)CC O106928 [1,1,0,0,0,0|1,0,1]=4 439 B8R0.6 CCCCCC(=O)CC O106929 [1,1,0,0,0,0|1,0,1]=4 440 B8R0.6 CCCCCC(=O)OC M112312 [1,1,0,0,0,0|1,0,1]=4 441 B8R0.6 CCCCCC(=O)OC M112313 [1,1,0,0,0,0|1,0,1]=4 442 B8R0.6 CCCCCC(=O)OC M112314 [1,1,0,0,0,0|1,0,1]=4 443 B8R0.7 C(COCCN)C(=O)O A412738 [1,1,0,0,0,0|1,0,1]=4 444 B8R0.7 CCCC=CCC(=O)O H303362 [1,1,0,0,0,0|2,0,0]=4 445 B8R0.7 CCCCC=CC(=O)C O100829 [1,1,0,0,0,0|1,0,1]=4 446 B8R0.7 CCCCCCC(=O)C O111186 [1,1,0,0,0,0|1,0,1]=4 447 B8R0.7 CCCCCCC(=O)C O111187 [1,1,0,0,0,0|1,0,1]=4 448 B8R0.7 CCCCCOC(=O)C A103450 [1,1,0,0,0,0|1,0,1]=4 449 B8R0.7 CCCCCOC(=O)C A103451 [1,1,0,0,0,0|1,0,1]=4 450 B8R0.7 CCCCCOC(=O)C A103452 [1,1,0,0,0,0|1,0,1]=4 451 B8R0.7 CCOCCOC(=O)C E105181 [1,1,0,0,0,0|0,0,1]=3 452 B8R0.7 CCOCCOC(=O)C E105183 [1,1,0,0,0,0|0,0,1]=3 453 B8R0.7 CCOCCOC(=O)C E105184 [1,1,0,0,0,0|0,0,1]=3 454 B8R0.9 CCC(=CCC(=O)O)C M193916 [1,1,0,0,0,0|2,0,0]=4 455 B8R0.28 CC(C)CCCC(=O)C M158865 [1,1,0,0,0,0|1,0,1]=4 456 B8R0.1 CC=CC(=O)OCC=C A168419 [1,1,0,0,0,0|0,0,2]=4 457 B8R0.1 CCC#CC(=O)OCC E189158 [1,1,0,0,0,0|0,0,2]=4 458 B8R0.1 CCCC(=O)OCCC P100043 [1,1,0,0,0,0|0,0,1]=3 459 B8R0.1 CCCC(=O)OCCC P100044 [1,1,0,0,0,0|0,0,1]=3 460 B8R0.1 CCCCC(=O)C=CC O160046 [1,1,0,0,0,0|1,0,1]=4 461 B8R0.1 CCCCC(=O)CCC O160045 [1,1,0,0,0,0|1,0,1]=4 462 B8R0.1 CCCCC(=O)OCC E105293 [1,1,0,0,0,0|0,0,1]=3 463 B8R0.1 CCCCC(=O)OCC E105294 [1,1,0,0,0,0|0,0,1]=3 464 B8R0.1 CCCCC(=O)OCC E118465 [1,1,0,0,0,0|0,0,1]=3 465 B8R0.1 CCCOC(=O)CC#N P160480 [1,1,0,0,0,0|1,0,1]=4 466 B8R0.1 CCOC(=O)C=CC=O E189100 [1,1,0,0,0,0|0,0,1]=3 467 B8R0.1 CCOC(=O)C=CCBr E113754 [1,1,0,0,0,0|0,0,1]=3 468 B8R0.1 CCOC(=O)C=CCBr E589630 [1,1,0,0,0,0|0,0,1]=3 469 B8R0.1 CCOC(=O)CCC=C E156151 [1,1,0,0,0,0|0,0,1]=3 470 B8R0.1 CCOC(=O)CCCBr E106908 [1,1,0,0,0,0|0,0,1]=3 471 B8R0.1 CCOC(=O)CCCBr E639064 [1,1,0,0,0,0|0,0,1]=3 472 B8R0.1 CCOC(=O)CCCCl E135072 [1,1,0,0,0,0|0,0,1]=3 473 B8R0.1 CCOC(=O)CCCCl E493598 [1,1,0,0,0,0|0,0,1]=3 474 B8R0.1 CCOC(=O)CCCN E122453 [1,1,0,0,0,0|0,0,1]=3 475 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [1,1,0,0,0,0|0,0,1]=3 476 B8R0.1 CCOC(=O)CCSC E107629 [1,1,0,0,0,0|0,0,1]=3 477 B8R0.1 CCOC(=O)CN=C=O E156271 [1,1,0,0,0,0|0,0,1]=3 478 B8R0.1 CCOC(=O)CN=C=S E101903 [1,1,0,0,0,0|0,1,1]=4 479 B8R0.1 CCOC(=O)CN=[N+]=[N-] E189179 [1,1,0,0,0,0|2,0,0]=4 480 B8R0.1 CCOC(=O)CNC=O N159320 [1,1,0,0,0,0|0,0,0]=2 481 B8R0.1 CCOC(=O)OCC=C A151039 [1,1,0,0,0,0|0,0,1]=3 482 B8R0.1 CCOCC(=O)OCC E195171 [1,1,0,0,0,0|0,0,1]=3 483 B8R0.3 CCC(C(=O)OCC)Br E110204 [1,1,0,0,0,0|0,0,1]=3 484 B8R0.3 CCC(C(=O)OCC)N E185185 [1,1,0,0,0,0|0,0,1]=3 485 B8R0.3 CCC(C(=O)OCC)O E156260 [1,1,0,0,0,0|0,0,1]=3 486 B8R0.3 CCC(C)C(=O)C=CC W136042 [1,1,0,0,0,0|1,0,1]=4 487 B8R0.3 CCC(C)C(=O)OCC E117676 [1,1,0,0,0,0|0,0,1]=3 488 B8R0.3 CCCC(=O)C(C)CC M158867 [1,1,0,0,0,0|1,0,1]=4 489 B8R0.3 CCOC(=O)C(=CC)C E117529 [1,1,0,0,0,0|0,0,1]=3 490 B8R0.3 CCOC(=O)C(C)C#N E124214 [1,1,0,0,0,0|1,0,1]=4 491 B8R0.3 CCOC(=O)C(C=O)Cl E183753 [1,1,0,0,0,0|0,0,0]=2 492 B8R0.3 CCOC(=O)C(CBr)Br E102371 [1,1,0,0,0,0|1,0,1]=4 493 B8R0.3 CCOC(=O)C(CCl)O E357552 [1,1,0,0,0,0|1,0,1]=4 494 B8R0.3 CCOC(=O)C(CO)N D188981 [1,1,0,0,0,0|0,0,2]=4 495 B8R0.3 CCOC(=O)C(CO)N S105478 [1,1,0,0,0,0|0,0,2]=4 496 B8R0.3 CCOC(=O)C(CS)N C100827 [1,1,0,0,0,0|0,1,1]=4 497 B8R0.3 CCOC(=O)N(C)N=O N135222 [1,1,0,0,0,0|2,0,0]=4 498 B8R0.14 CCOC(=O)C(C)(C)Br E104492 [0,1,0,0,1,0|1,0,1]=4 499 B8R0.14 CCOC(=O)C(C)(C)C E137587 [0,1,0,0,1,0|1,0,1]=4 500 B8R0.14 CCOC(=O)C(C)(C)I E156365 [0,1,0,0,1,0|1,0,1]=4 501 B8R0.14 CCOC(=O)C(C)(C)N H182075 [0,1,0,0,1,0|1,0,1]=4 502 B8R0.14 CCOC(=O)C(C)(C)O E111355 [0,1,0,0,1,0|0,0,2]=4 503 B8R0.14 CCOC(=O)C(C)(F)F D419047 [0,1,0,0,1,0|1,0,1]=4 504 B10R0.26 CCOC(=O)CC(=C)C(=O)O M158390 [0,1,0,0,0,1|1,0,0]=3 505 B10R0.26 CCOC(=O)CC(=O)C(C)C E100866 [0,1,0,0,0,1|1,0,1]=4 506 B10R0.26 CCOC(=S)SC(C)C(=O)O E400668 [0,1,0,0,0,1|1,1,0]=4 507 B10R0.32 CCOC(=O)C(=O)CC(=O)C E136676 [0,1,0,0,0,1|0,0,0]=2 508 B10R0.32 CCOC(=O)C(CC(C)C)N L100533 [0,1,0,0,0,1|1,0,1]=4 509 B10R0.32 CCOC(=O)C(CC(C)C)O E156251 [0,1,0,0,0,1|1,0,1]=4 510 B10R0.78 CCCOC(=O)CCC(=O)C P404929 [0,1,0,0,0,1|0,0,0]=2 511 B10R0.96 CC(C)CC(=O)NCC(=O)O N132010 [0,1,0,0,0,1|2,0,0]=4 512 B10R0.108 CCOC(=O)CNC(=O)CCl I170250 [0,1,0,0,0,1|0,0,0]=2 513 B10R0.108 CCOC(=O)CNC(=O)CN G182698 [0,1,0,0,0,1|0,0,0]=2 514 B10R0.109 CCOC(=O)CCC(C)(F)F E578725 [0,1,0,0,0,1|1,0,1]=4 515 B10R0.6 CC(=O)CC(=O)OCCOC M109789 [0,2,0,0,0,0|0,0,0]=2 516 B10R0.6 CCCCOC(=O)CC(=O)C B152871 [0,2,0,0,0,0|0,0,0]=2 517 B10R0.6 CCCCOC(=O)CC(C)C B152732 [0,2,0,0,0,0|1,0,1]=4 518 B10R0.18 CCCCC(=O)CC(=O)OC M158508 [0,2,0,0,0,0|1,0,0]=3 519 B10R0.44 CC(C)CC(=O)CC(=O)OC M588645 [0,2,0,0,0,0|1,0,0]=3 520 B10R0.35 CCC(=O)C(C(=O)OCC)F E186446 [0,2,0,0,0,0|0,0,0]=2 521 B10R0.36 CCOC(=O)C(C)(C)C(=O)Cl C345501 [0,2,0,0,0,0|1,0,0]=3 522 B10R0.101 CCC(C(=O)C)C(=O)OCC E139068 [0,2,0,0,0,0|0,0,0]=2 523 B10R0.101 CCOC(=O)C(=C(C)O)N=O E492393 [0,2,0,0,0,0|0,0,2]=4 524 B10R0.101 CCOC(=O)C(=[N+]=[N-])C(=O)C E340414 [0,2,0,0,0,0|0,0,1]=3 525 B10R0.2 CCCC(=O)CC(=O)OCC E107545 [0,2,0,0,0,0|0,0,0]=2 526 B10R0.2 CCCC(=O)OC(=O)CCC B108974 [0,2,0,0,0,0|2,0,0]=4 527 B10R0.2 CCCC(CC(=O)OCC)O E117524 [0,2,0,0,0,0|0,0,2]=4 528 B10R0.2 CCOC(=CC(=O)OCC)N E169739 [0,2,0,0,0,0|1,0,1]=4 529 B10R0.2 CCOC(=N)CC(=N)OCC D165556 [0,2,0,0,0,0|2,0,0]=4 530 B10R0.2 CCOC(=N)CC(=O)OCC E183025 [0,2,0,0,0,0|1,0,0]=3 531 B10R0.2 CCOC(=O)CC(=O)OCC D103949 [0,2,0,0,0,0|0,0,0]=2 532 B10R0.2 CCOC(=O)CC(=O)OCC D420478 [0,2,0,0,0,0|0,0,0]=2 533 B10R0.2 CCOC(=O)CC(=O)OCC D472016 [0,2,0,0,0,0|0,0,0]=2 534 B10R0.2 CCOC(=O)CC(CC#N)O E121627 [0,2,0,0,0,0|0,0,2]=4 535 B10R0.2 CCOC(=O)NC(=O)CC#N N134104 [0,2,0,0,0,0|1,0,0]=3 536 B10R0.2 CCOC(=O)OC(=O)OCC D105557 [0,2,0,0,0,0|1,0,0]=3 537 B10R0.2 CCOC(=O)OC(=O)OCC D137738 [0,2,0,0,0,0|1,0,0]=3 538 B10R0.31 CC(=O)CC(=O)OC(C)(C)C B106230 [0,2,0,0,0,0|0,0,0]=2 539 B10R0.31 CC(=O)NC(=O)OC(C)(C)C T586567 [0,2,0,0,0,0|1,0,0]=3 540 B10R0.31 CC(C)(C)OC(=O)CC(=O)O M102763 [0,2,0,0,0,0|1,0,0]=3 541 B10R0.31 CC(C)(C)OC(=O)CC(=O)O M490157 [0,2,0,0,0,0|1,0,0]=3 542 B8R1.1 COC1=CC(=O)CC1 M170478 [1,0,0,1,0,0|1,0,1]=4 543 B8R1.4 C1C(=O)CSCC1=O H194597 [1,0,0,1,0,0|1,0,0]=3 544 B8R1.4 C1C(=O)OC(=O)CO1 D154432 [1,0,0,1,0,0|2,0,0]=4 545 B8R1.4 C1C(=O)OC(=O)CS1 T136548 [1,0,0,1,0,0|2,0,0]=4 546 B8R1.4 C1CC(=CC(=O)C1)N A136183 [1,0,0,1,0,0|1,0,1]=4 547 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [1,0,0,1,0,0|0,0,0]=2 548 B8R1.4 C1CC(=O)NC(=O)C1 G156850 [1,0,0,1,0,0|1,0,0]=3 549 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [1,0,0,1,0,0|1,0,0]=3 550 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [1,0,0,1,0,0|1,0,0]=3 551 B8R1.4 C1CNC(=O)CC1=O P129071 [1,0,0,1,0,0|1,0,0]=3 552 B8R1.4 C1CNC(=O)NC1=O D113497 [1,0,0,1,0,0|2,0,0]=4 553 B8R1.4 CC1=CC(=O)CCC1 M104499 [1,0,0,1,0,0|1,0,1]=4 554 B8R1.4 CC1CC(=O)CCO1 M172463 [1,0,0,1,0,0|0,0,2]=4 555 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,1,0,0|1,0,1]=4 556 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,1,0,0|1,0,1]=4 557 B8R1.18 CC1=NN(C(=O)C1)C D105385 [1,0,0,1,0,0|2,0,0]=4 558 B8R1.18 CC1C(=O)C=C(O1)C D102990 [1,0,0,1,0,0|0,0,2]=4 559 B8R1.18 CC1C(=O)OC(=O)N1 S303088 [1,0,0,1,0,0|2,0,0]=4 560 B8R1.18 CC1CC(=O)OC1=O M102626 [1,0,0,1,0,0|1,0,0]=3 561 B8R1.18 CN1CC(=O)NC1=O M158526 [1,0,0,1,0,0|2,0,0]=4 562 B8R1.51 C1CS(=O)(=O)CC1=O T182043 [1,0,0,1,0,0|2,0,0]=4 563 B8R1.51 CC1(CCC(=O)C1)C D175598 [1,0,0,1,0,0|1,0,1]=4 564 B8R1.7 C1COCC1C(=O)O R194491 [1,0,0,1,0,0|1,0,1]=4 565 B8R1.7 C1COCC1C(=O)O T135700 [1,0,0,1,0,0|1,0,1]=4 566 B8R1.7 CC(=O)C1CCCC1 C194132 [1,0,0,1,0,0|1,0,1]=4 567 B8R1.22 C1CC(=O)CCNC1 H121983 [1,0,0,1,0,0|1,0,1]=4 568 B8R1.22 C1CCC(=O)C=CC1 C138031 [1,0,0,1,0,0|1,0,1]=4 569 B8R1.22 C1CCCC(=O)CC1 C111127 [1,0,0,1,0,0|1,0,1]=4 570 B8R1.22 C1COCCNC1=O O189427 [1,0,0,1,0,0|1,0,1]=4 571 B8R1.8 CCCC1=NCCO1 P160311 [1,0,0,1,0,0|1,0,1]=4 572 B8R1.11 CCN1CCCC1=O E101635 [1,0,0,1,0,0|1,0,1]=4 573 B8R1.37 CCOC(=O)C1CC1 E156138 [1,0,0,1,0,0|0,0,1]=3 574 B8R1.37 CCOC(=O)C1CO1 E138878 [1,0,0,1,0,0|1,0,0]=3 575 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,0,0,1,1,0|1,0,0]=3 576 B10R1.64 C1CC(=O)N(C1)CC(=O)N P129415 [0,0,0,1,0,1|2,0,0]=4 577 B10R1.64 C1CC(=O)N(C1)CC(=O)O O193821 [0,0,0,1,0,1|2,0,0]=4 578 B10R1.64 C1CC(C(=O)C1)CC(=O)O O167346 [0,0,0,1,0,1|2,0,0]=4 579 B10R1.64 CC(=O)NC1CCOC1=O A333729 [0,0,0,1,0,1|0,0,0]=2 580 B10R1.64 CC(=O)NC1CCSC1=O A108031 [0,0,0,1,0,1|0,1,0]=3 581 B10R1.64 CC(=O)NC1CCSC1=O A151087 [0,0,0,1,0,1|0,1,0]=3 582 B10R1.64 NC(=O)CN1CCCC1=O P408671 [0,0,0,1,0,1|2,0,0]=4 583 B10R1.66 CC(=O)OCC1CCCO1 T161761 [0,0,0,1,0,1|1,0,1]=4 584 B10R1.113 C1CC(CC(=O)C1)C(=O)O O191300 [0,0,0,1,0,1|2,0,0]=4 585 B10R1.113 C1CC(NC(=O)C1)C(=O)O O121564 [0,0,0,1,0,1|2,0,0]=4 586 B10R1.113 C1CC(NC(=O)C1)C(=O)O O349934 [0,0,0,1,0,1|2,0,0]=4 587 B10R1.140 CCOC(=O)C1CC(=O)C1 E139366 [0,0,0,1,0,1|0,0,0]=2 588 B10R1.211 C1CC1C(=O)CCC(=O)O C170865 [0,0,0,1,0,1|2,0,0]=4 589 B10R1.211 C1CC1C(=O)NCC(=O)O C335731 [0,0,0,1,0,1|2,0,0]=4 590 B10R1.61 C1CC(C(=O)NC1)C(=O)O O170260 [0,1,0,1,0,0|2,0,0]=4 591 B10R1.61 CC(=O)C1CCCCC1=O A151668 [0,1,0,1,0,0|1,0,0]=3 592 B10R1.212 CCOC(=O)C(C1CC1)Br E172503 [0,1,0,1,0,0|1,0,1]=4 593 B10R1.291 CC(=O)C1(CCOC1=O)C A354550 [0,1,0,1,0,0|0,0,0]=2 594 B10R1.10 CCOC1=CC(=O)CCC1 E156472 [0,1,0,1,0,0|1,0,1]=4 595 B10R1.475 CCC1(CC(=O)NC1=O)C E135302 [0,1,0,1,0,0|2,0,0]=4 596 B10R1.134 COC(=O)CC(=O)C1CC1 C124094 [0,1,0,1,0,0|1,0,0]=3 597 B10R1.137 CCOC(=O)C=C1CCC1 E303311 [0,1,0,1,0,0|1,0,1]=4 598 B10R1.137 CCOC(=O)C=C1COC1 E178243 [0,1,0,1,0,0|0,0,2]=4 599 B10R1.149 C=CC(=O)N1CCOC1=O A151731 [0,1,0,1,0,0|1,0,1]=4 600 B10R1.149 COC(=O)C1CCCC1=O M137965 [0,1,0,1,0,0|1,0,0]=3 601 B10R1.149 COC(=O)C1COCC1=O M176840 [0,1,0,1,0,0|2,0,0]=4 602 B10R1.329 CC1(CC(=O)CC(=O)C1)C D105612 [0,1,0,1,0,0|1,0,0]=3 603 B10R1.329 CC1(CC(=O)CC(=O)C1)C D105613 [0,1,0,1,0,0|1,0,0]=3 604 B10R1.329 CC1(CC(=O)NC(=O)C1)C D154383 [0,1,0,1,0,0|2,0,0]=4 605 B10R1.329 CC1(CC(=O)OC(=O)C1)C D154429 [0,1,0,1,0,0|2,0,0]=4 606 B10R1.329 CC1(OC(=O)CC(=O)O1)C M110151 [0,1,0,1,0,0|1,0,0]=3 607 B10R1.329 CC1=CC(=O)OC(O1)(C)C T111122 [0,1,0,1,0,0|0,0,2]=4 608 B10R2.42 C1CC2C1C(=O)OC2=O O176508 [0,0,0,2,0,0|2,0,0]=4 609 B6R0.3 C(C(=O)C(=O)O)Br B120321 [1,0,0,0,1,0|2,0,0]=4 610 B6R0.3 C(C(=O)C(=O)O)O H276063 [1,0,0,0,1,0|2,0,0]=4 611 B6R0.3 C(C(=O)C(=O)[O-])F F168911 [1,0,0,0,1,0|2,0,0]=4 612 B6R0.3 CC(=C)C(=O)NC N159439 [1,0,0,0,1,0|2,0,0]=4 613 B6R0.3 CC(=C)C(=O)NC N563684 [1,0,0,0,1,0|2,0,0]=4 614 B6R0.3 CC(=C)C(=O)OC M109623 [1,0,0,0,1,0|1,0,0]=3 615 B6R0.3 CC(=C)C(=O)OC M109626 [1,0,0,0,1,0|1,0,0]=3 616 B6R0.3 CC(=C)C(=O)OC M109629 [1,0,0,0,1,0|1,0,0]=3 617 B6R0.3 CC(=C)C(=O)OC P141442 [1,0,0,0,1,0|1,0,0]=3 618 B6R0.3 CC(=C)C(=O)OC P141443 [1,0,0,0,1,0|1,0,0]=3 619 B6R0.3 CC(=C)C(=O)OC P141444 [1,0,0,0,1,0|1,0,0]=3 620 B6R0.3 CC(=C)C(=O)OC P434521 [1,0,0,0,1,0|1,0,0]=3 621 B6R0.3 CC(=C)C(=O)OC P434523 [1,0,0,0,1,0|1,0,0]=3 622 B6R0.3 CC(=C)C(=O)OC P434524 [1,0,0,0,1,0|1,0,0]=3 623 B6R0.3 CC(=C)C(=O)OC P478276 [1,0,0,0,1,0|1,0,0]=3 624 B6R0.3 CC(=C)C(=O)OC P598682 [1,0,0,0,1,0|1,0,0]=3 625 B6R0.3 CC(=O)C(=O)CBr B185016 [1,0,0,0,1,0|1,0,0]=3 626 B6R0.3 CC(=O)C(=O)OC M136953 [1,0,0,0,1,0|0,0,0]=2 627 B6R0.3 CC(=O)N(C)OC N159405 [1,0,0,0,1,0|2,0,0]=4 628 B6R0.3 CC(C(=O)OC)Br M117975 [1,0,0,0,1,0|1,0,1]=4 629 B6R0.3 CC(C(=O)OC)Cl M102467 [1,0,0,0,1,0|1,0,1]=4 630 B6R0.3 CC(C(=O)OC)Cl M110142 [1,0,0,0,1,0|1,0,1]=4 631 B6R0.3 CC(C(=O)OC)Cl M158574 [1,0,0,0,1,0|1,0,1]=4 632 B6R0.3 CC(C(=O)OC)N A100771 [1,0,0,0,1,0|1,0,1]=4 633 B6R0.3 CC(C(=O)OC)N A100815 [1,0,0,0,1,0|1,0,1]=4 634 B6R0.3 CC(C(=O)OC)N A116955 [1,0,0,0,1,0|1,0,1]=4 635 B6R0.3 CC(C(=O)OC)O M132799 [1,0,0,0,1,0|0,0,2]=4 636 B6R0.3 CC(C(=O)OC)O M158257 [1,0,0,0,1,0|0,0,2]=4 637 B6R0.3 CC(C(=O)OC)O M158854 [1,0,0,0,1,0|0,0,2]=4 638 B6R0.3 CC(C)C(=O)OC M100041 [1,0,0,0,1,0|1,0,1]=4 639 B6R0.3 CC=C(C)C(=O)C M158812 [1,0,0,0,1,0|1,0,1]=4 640 B6R0.3 CC=C(C)C(=O)C M401547 [1,0,0,0,1,0|1,0,1]=4 641 B6R0.3 CCC(=C)C(=O)O E477290 [1,0,0,0,1,0|2,0,0]=4 642 B6R0.3 CCC(=O)C(=O)C P106293 [1,0,0,0,1,0|0,0,0]=2 643 B6R0.3 CCC(=O)C(=O)O K106253 [1,0,0,0,1,0|1,0,0]=3 644 B6R0.3 CCC(=O)C(=O)[O-] S161412 [1,0,0,0,1,0|1,0,0]=3 645 B6R0.3 CCC(=O)C(C)C M158840 [1,0,0,0,1,0|1,0,1]=4 646 B6R0.3 CCC(=O)N(C)C D128096 [1,0,0,0,1,0|2,0,0]=4 647 B6R0.3 CCC(C(=O)C)S M102973 [1,0,0,0,1,0|0,1,1]=4 648 B6R0.3 CCC(C)C(=O)C M158800 [1,0,0,0,1,0|1,0,1]=4 649 B6R0.3 CCN(C)C(=O)C N193140 [1,0,0,0,1,0|2,0,0]=4 650 B6R0.3 CNC(=O)C(=O)O M588605 [1,0,0,0,1,0|2,0,0]=4 651 B6R0.3 COC(=O)C(=C)Br M193464 [1,0,0,0,1,0|1,0,1]=4 652 B6R0.3 COC(=O)C(=C)Cl M158644 [1,0,0,0,1,0|1,0,1]=4 653 B6R0.3 COC(=O)C(=C)F M138536 [1,0,0,0,1,0|1,0,1]=4 654 B6R0.3 COC(=O)C(=N)N M589620 [1,0,0,0,1,0|2,0,0]=4 655 B6R0.3 COC(=O)C(=O)Cl M111140 [1,0,0,0,1,0|1,0,0]=3 656 B10R0.3 CCCC(=O)CCCC(=O)O O303557 [0,0,0,0,0,2|2,0,0]=4 657 B10R0.3 CCOC(=O)CCCC(=O)C E138206 [0,0,0,0,0,2|0,0,0]=2 658 B10R0.3 CCOC(=O)CCCC(=O)Cl E138942 [0,0,0,0,0,2|1,0,0]=3 659 B10R0.3 CCOC(=O)CCCC(=O)O M158393 [0,0,0,0,0,2|1,0,0]=3