0 B9R1.48 C1CCC(=O)CC(=O)C1 W134267 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.22 C1CC(=O)CCNC1 H121983 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.22 C1CCC(=O)C=CC1 C138031 [1,0,0,0,0,0|1,0,0]=2 4 B8R1.22 C1CCC(=O)NCC1 C111698 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.22 C1CCC(=O)NCC1 C111700 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.22 C1CCC(=O)OCC1 C109521 [1,0,0,0,0,0|0,0,1]=2 7 B8R1.22 C1CCC(=O)OCC1 C398060 [1,0,0,0,0,0|0,0,1]=2 8 B8R1.22 C1CCC(=O)OCC1 P299385 [1,0,0,0,0,0|0,0,1]=2 9 B8R1.22 C1CCC(=O)OCC1 P398622 [1,0,0,0,0,0|0,0,1]=2 10 B8R1.22 C1CCC(=O)OCC1 P478241 [1,0,0,0,0,0|0,0,1]=2 11 B8R1.22 C1CCC(=O)OCC1 P485972 [1,0,0,0,0,0|0,0,1]=2 12 B8R1.22 C1CCC(=O)OCC1 P579406 [1,0,0,0,0,0|0,0,1]=2 13 B8R1.22 C1CCC(=S)NCC1 T140461 [1,0,0,0,0,0|1,1,1]=4 14 B8R1.22 C1CCCC(=O)CC1 C111127 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.22 C1COCCNC1=O O189427 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.22 C=C1OCCCCO1 M194650 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.1 CCCCC(=O)C=CC O160046 [0,0,1,0,0,0|2,0,0]=3 18 B8R0.1 CCCCC(=O)CCC O160045 [0,0,1,0,0,0|2,0,1]=4 19 B8R0.1 CCCCC(=O)OCC E105293 [0,0,1,0,0,0|1,0,1]=3 20 B8R0.1 CCCCC(=O)OCC E105294 [0,0,1,0,0,0|1,0,1]=3 21 B8R0.1 CCCCC(=O)OCC E118465 [0,0,1,0,0,0|1,0,1]=3 22 B8R0.1 CCOC(=O)CCCBr E106908 [0,0,1,0,0,0|2,0,1]=4 23 B8R0.1 CCOC(=O)CCCBr E639064 [0,0,1,0,0,0|2,0,1]=4 24 B8R0.1 CCOC(=O)CCCCl E135072 [0,0,1,0,0,0|2,0,1]=4 25 B8R0.1 CCOC(=O)CCCCl E493598 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.1 CCOC(=O)CCCN E122453 [0,0,1,0,0,0|2,0,1]=4 27 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [0,0,1,0,0,0|1,0,2]=4 28 B8R0.1 CCOC(=O)CCSC E107629 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.1 CCOCC(=O)OCC E195171 [0,0,1,0,0,0|2,0,1]=4 30 B8R0.5 CC(C)OC(=O)CCS M119588 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.5 CC(COC)OC(=O)C P106790 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.5 CC(COC)OC(=O)C P299435 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.5 CCCC(=O)CC(C)C M158863 [0,0,1,0,0,0|2,0,1]=4 34 B8R0.5 CCCC(=O)OC(C)C I157502 [0,0,1,0,0,0|1,0,1]=3 35 B8R0.5 CCOC(=O)C=C(C)C E156154 [0,0,1,0,0,0|3,0,0]=4 36 B8R0.5 CCOC(=O)C=C(C)N E101139 [0,0,1,0,0,0|3,0,0]=4 37 B8R0.5 CCOC(=O)C=C(C)N E136853 [0,0,1,0,0,0|3,0,0]=4 38 B8R0.5 CCOC(=O)CC(=O)C E103937 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.5 CCOC(=O)CC(=O)C E103939 [0,0,1,0,0,0|2,0,0]=3 40 B8R0.5 CCOC(=O)CC(=O)C E474098 [0,0,1,0,0,0|2,0,0]=3 41 B8R0.5 CCOC(=O)CC(=O)Cl E122639 [0,0,1,0,0,0|3,0,0]=4 42 B8R0.5 CCOC(=O)CC(=O)N E194938 [0,0,1,0,0,0|3,0,0]=4 43 B8R0.5 CCOC(=O)CC(=O)O M158864 [0,0,1,0,0,0|3,0,0]=4 44 B8R0.5 CCOC(=O)CC(=O)[O-] M158631 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.5 CCOC(=O)NC(=O)N E113456 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.5 CCOC(=O)OC(C)Cl C102108 [0,0,1,0,0,0|2,0,1]=4 47 B8R0.5 CCO\C(=C\C(=O)C)\[O-] A354450 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.7 C#CCCCCC(=O)O H107741 [0,0,1,0,0,0|1,0,1]=3 49 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [0,0,1,0,0,0|2,0,1]=4 50 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [0,0,1,0,0,0|2,0,1]=4 51 B8R0.7 C(CCC(=O)N)CCBr B185341 [0,0,1,0,0,0|2,0,1]=4 52 B8R0.7 C(CCC(=O)O)CCBr B104555 [0,0,1,0,0,0|1,0,1]=3 53 B8R0.7 C(CCC(=O)O)CCCl C121729 [0,0,1,0,0,0|1,0,1]=3 54 B8R0.7 C(CCC(=O)O)CCN A306000 [0,0,1,0,0,0|1,0,1]=3 55 B8R0.7 C(CCC(=O)O)CCN A433060 [0,0,1,0,0,0|1,0,1]=3 56 B8R0.7 C(CCC(=O)O)CCO H302536 [0,0,1,0,0,0|0,0,2]=3 57 B8R0.7 C(CCC(=O)O)CCS M292991 [0,0,1,0,0,0|0,1,1]=3 58 B8R0.7 C(CCC(=O)O)CCS M345400 [0,0,1,0,0,0|0,1,1]=3 59 B8R0.7 C(CCC(=O)[O-])CCO P192074 [0,0,1,0,0,0|0,0,3]=4 60 B8R0.7 C(CN)CNCC(=O)O N159195 [0,0,1,0,0,0|2,0,1]=4 61 B8R0.7 C(CNCC(=O)O)C#N N159829 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.7 C(COCCN)C(=O)O A412738 [0,0,1,0,0,0|2,0,1]=4 63 B8R0.7 C=CCOCCC(=O)O A151450 [0,0,1,0,0,0|2,0,0]=3 64 B8R0.7 CC(=O)OCCCC=C P160540 [0,0,1,0,0,0|3,0,0]=4 65 B8R0.7 CCCCCCC(=O)C O111186 [0,0,1,0,0,0|2,0,1]=4 66 B8R0.7 CCCCCCC(=O)C O111187 [0,0,1,0,0,0|2,0,1]=4 67 B8R0.7 CCCCCCC(=O)Cl H102418 [0,0,1,0,0,0|2,0,1]=4 68 B8R0.7 CCCCCCC(=O)O H103518 [0,0,1,0,0,0|1,0,1]=3 69 B8R0.7 CCCCCCC(=O)O H103519 [0,0,1,0,0,0|1,0,1]=3 70 B8R0.7 CCCCCCC(=O)O H103520 [0,0,1,0,0,0|1,0,1]=3 71 B8R0.7 CCCCCCC(=O)O H431469 [0,0,1,0,0,0|1,0,1]=3 72 B8R0.7 CCCCCCC(=O)[O-] S161315 [0,0,1,0,0,0|1,0,2]=4 73 B8R0.7 CCCCOCC(=O)O B152317 [0,0,1,0,0,0|2,0,1]=4 74 B8R0.7 COCCOCC(=O)O M138320 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.19 C(C(=O)OC(=O)CCl)Cl C104819 [0,0,1,0,0,0|2,0,0]=3 76 B8R0.19 CCC(=O)CC(=O)CC H102410 [0,0,1,0,0,0|1,0,0]=2 77 B8R0.19 CCC(=O)CC(=O)OC M109572 [0,0,1,0,0,0|2,0,0]=3 78 B8R0.19 CCC(=O)OC(=O)CC P106800 [0,0,1,0,0,0|0,0,0]=1 79 B8R0.19 CCC(=O)OC(=O)CC P137907 [0,0,1,0,0,0|0,0,0]=1 80 B8R0.19 CCC(C)CC(=O)CC M158857 [0,0,1,0,0,0|2,0,1]=4 81 B8R0.19 COC(=O)CC(=O)CCl M158829 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.19 COC(=O)CC(=O)OC D103051 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.19 COC(=O)OC(=O)OC D135145 [0,0,1,0,0,0|2,0,0]=3 84 B10R2.42 C1CC2C1C(=O)OC2=O O176508 [0,0,0,1,0,0|0,0,0]=1 85 B10R2.71 C1CC2CC(=O)CC1N2 N119961 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.4 C1C(=O)CSCC1=O H194597 [0,0,0,0,1,0|2,0,0]=3 87 B8R1.4 C1C(=O)OC(=O)CO1 D154432 [0,0,0,0,1,0|1,0,0]=2 88 B8R1.4 C1C(=O)OC(=O)CS1 T136548 [0,0,0,0,1,0|1,0,0]=2 89 B8R1.4 C1CC(=CC(=O)C1)N A136183 [0,0,0,0,1,0|2,0,0]=3 90 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [0,0,0,0,1,0|1,0,0]=2 91 B8R1.4 C1CC(=O)NC(=O)C1 G156850 [0,0,0,0,1,0|1,0,0]=2 92 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [0,0,0,0,1,0|0,0,0]=1 93 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [0,0,0,0,1,0|0,0,0]=1 94 B8R1.4 C1CNC(=O)CC1=O P129071 [0,0,0,0,1,0|2,0,0]=3 95 B8R1.4 C1CNC(=O)NC1=O D113497 [0,0,0,0,1,0|2,0,0]=3 96 B8R1.4 C1NC(=O)NC(=O)N1 T405088 [0,0,0,0,1,0|3,0,0]=4 97 B8R1.4 CC1=CC(=O)CCC1 M104499 [0,0,0,0,1,0|2,0,0]=3 98 B8R1.4 CC1CCCC(=O)C1 M117710 [0,0,0,0,1,0|2,0,1]=4 99 B8R1.4 CC1CCCC(=O)C1 R472235 [0,0,0,0,1,0|2,0,1]=4 100 B8R1.4 CC1CCCC(=O)O1 D155361 [0,0,0,0,1,0|1,0,1]=3 101 B8R1.5 C1CC(C(=O)NC1)Br B588801 [0,0,0,0,1,0|2,0,1]=4 102 B8R1.5 C1CC(C(=O)NC1)N A121540 [0,0,0,0,1,0|2,0,1]=4 103 B8R1.5 C1CC(C(=O)NC1)N A121541 [0,0,0,0,1,0|2,0,1]=4 104 B8R1.5 C1CC(C(=O)NC1)N A181382 [0,0,0,0,1,0|2,0,1]=4 105 B8R1.5 C1CC(C(=O)NC1)N I170302 [0,0,0,0,1,0|2,0,1]=4 106 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,0,0,0,1,0|1,0,2]=4 107 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,0,0,0,1,0|0,0,0]=1 108 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,0,0,0,1,0|1,0,1]=3 109 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,0,0,0,1,0|1,0,1]=3 110 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,0,0,0,1,0|0,0,2]=3 111 B8R1.5 C1COCC(C1=O)F F176973 [0,0,0,0,1,0|2,0,1]=4 112 B8R1.5 CC1CCCCC1=O M100791 [0,0,0,0,1,0|1,0,1]=3 113 B8R1.5 CC1CNCCC1=O M589544 [0,0,0,0,1,0|2,0,1]=4 114 B8R1.5 CN1CCCCC1=O N335945 [0,0,0,0,1,0|2,0,0]=3 115 B8R1.5 CN1CCCNC1=O M493197 [0,0,0,0,1,0|3,0,0]=4 116 B7R0.1 C(CCC=O)CC=O A302164 [1,0,1,0,0,0|0,0,0]=2 117 B7R0.1 C=CCCCCC=C O159998 [1,0,1,0,0,0|2,0,0]=4 118 B7R0.1 C=CCCCCCO H156869 [1,0,1,0,0,0|1,0,1]=4 119 B7R0.1 CCCCC=CC=O T161484 [1,0,1,0,0,0|1,0,0]=3 120 B7R0.1 CCCCCCC=O H105934 [1,0,1,0,0,0|1,0,1]=4 121 B7R0.1 CCCCCCC=O H105935 [1,0,1,0,0,0|1,0,1]=4 122 B7R0.1 CCCCCOC=O A151451 [1,0,1,0,0,0|0,0,1]=3 123 B7R0.1 CCCCCON=O A151126 [1,0,1,0,0,0|1,0,1]=4 124 B7R0.3 CCCCC(=O)CC H103766 [1,0,1,0,0,0|1,0,1]=4 125 B7R0.3 CCCCC(=O)NN P135113 [1,0,1,0,0,0|2,0,0]=4 126 B7R0.3 CCCCC(=O)OC M108213 [1,0,1,0,0,0|0,0,1]=3 127 B7R0.3 CCCCC(=O)OC M108214 [1,0,1,0,0,0|0,0,1]=3 128 B7R0.3 CCCNC(=O)C=C N404954 [1,0,1,0,0,0|2,0,0]=4 129 B7R0.3 CCCOC(=O)CC P111531 [1,0,1,0,0,0|0,0,1]=3 130 B7R0.3 CCCOC(=O)CC P111532 [1,0,1,0,0,0|0,0,1]=3 131 B7R0.3 COC(=O)CCCBr M158832 [1,0,1,0,0,0|1,0,1]=4 132 B7R0.3 COC(=O)CCCBr M492178 [1,0,1,0,0,0|1,0,1]=4 133 B7R0.3 COC(=O)CCCCl C108118 [1,0,1,0,0,0|1,0,1]=4 134 B7R0.3 COC(=O)CCCI M167258 [1,0,1,0,0,0|1,0,1]=4 135 B7R0.3 COC(=O)CCCN M124081 [1,0,1,0,0,0|1,0,1]=4 136 B7R0.3 COC(=O)CCSC M302466 [1,0,1,0,0,0|1,0,1]=4 137 B7R0.3 COCCC(=O)OC M134953 [1,0,1,0,0,0|1,0,1]=4 138 B7R0.7 CCCC(=O)CCC H103840 [1,0,1,0,0,0|1,0,1]=4 139 B7R0.7 CCCC(=O)CCC H103841 [1,0,1,0,0,0|1,0,1]=4 140 B7R0.7 CCCC(=O)OC=C V162944 [1,0,1,0,0,0|0,0,1]=3 141 B7R0.7 CCCC(=O)OCC E101116 [1,0,1,0,0,0|0,0,1]=3 142 B7R0.7 CCCC(=O)OCC E101117 [1,0,1,0,0,0|0,0,1]=3 143 B7R0.7 CCCC(=O)OCC E101119 [1,0,1,0,0,0|0,0,1]=3 144 B7R0.7 CCCC(=O)OCCl C153957 [1,0,1,0,0,0|1,0,1]=4 145 B7R0.7 CCOC(=O)C=CC E156252 [1,0,1,0,0,0|2,0,0]=4 146 B7R0.7 CCOC(=O)CCBr E106956 [1,0,1,0,0,0|1,0,1]=4 147 B7R0.7 CCOC(=O)CCCl E100652 [1,0,1,0,0,0|1,0,1]=4 148 B7R0.7 CCOC(=O)CCI E185756 [1,0,1,0,0,0|1,0,1]=4 149 B7R0.7 CCOC(=O)CCN A100434 [1,0,1,0,0,0|1,0,1]=4 150 B7R0.7 CCOC(=O)CCO E185621 [1,0,1,0,0,0|1,0,1]=4 151 B7R0.7 CCOC(=O)CCS E119585 [1,0,1,0,0,0|1,0,1]=4 152 B7R0.7 CCOC(=O)CC[CH2-] E465885 [1,0,1,0,0,0|0,0,2]=4 153 B7R0.7 CCOC(=O)CNC E115901 [1,0,1,0,0,0|1,0,1]=4 154 B7R0.7 CCOC(=O)COC E136304 [1,0,1,0,0,0|1,0,1]=4 155 B7R0.7 CCOC(=O)CSC E156475 [1,0,1,0,0,0|1,0,1]=4 156 B7R0.7 CCOC(=O)OCC D103040 [1,0,1,0,0,0|1,0,1]=4 157 B7R0.2 CC(=O)CC(=O)OC M108598 [1,0,1,0,0,0|2,0,0]=4 158 B7R0.2 CC(=O)CC(=O)OC M108599 [1,0,1,0,0,0|2,0,0]=4 159 B7R0.2 CC(=O)CC(=O)OC M108601 [1,0,1,0,0,0|2,0,0]=4 160 B7R0.2 CC(=O)NC(=O)NC A151230 [1,0,1,0,0,0|2,0,0]=4 161 B7R0.2 CCC(=O)CC(=O)C H192611 [1,0,1,0,0,0|1,0,0]=3 162 B7R0.2 CCC(=O)OC(C)C I157496 [1,0,1,0,0,0|1,0,1]=4 163 B7R0.2 CCC(C)OC(=O)C B108576 [1,0,1,0,0,0|1,0,1]=4 164 B7R0.2 CCC(C)OC(=O)C B108578 [1,0,1,0,0,0|1,0,1]=4 165 B7R0.4 C#CCCCC(=O)O H111132 [1,0,1,0,0,0|0,0,2]=4 166 B7R0.4 C(CC#N)CC(=O)O C184246 [1,0,1,0,0,0|1,0,1]=4 167 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,0,1,0,0,0|2,0,0]=4 168 B7R0.4 C(CCBr)CC(=O)O B106966 [1,0,1,0,0,0|1,0,0]=3 169 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,0,1,0,0,0|2,0,0]=4 170 B7R0.4 C(CCCl)CC(=O)O C153468 [1,0,1,0,0,0|1,0,0]=3 171 B7R0.4 C(CCN)CC(=O)O A107493 [1,0,1,0,0,0|1,0,0]=3 172 B7R0.4 C(CCN)CC(=O)O A151151 [1,0,1,0,0,0|1,0,0]=3 173 B7R0.4 C(CCN)CC(=O)O A151349 [1,0,1,0,0,0|1,0,0]=3 174 B7R0.4 C(CCN)CC(=O)O A491891 [1,0,1,0,0,0|1,0,0]=3 175 B7R0.4 C(CCN)CC(=O)O A491894 [1,0,1,0,0,0|1,0,0]=3 176 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,1,0,0,0|0,0,2]=4 177 B7R0.4 C(CNCC(=O)O)N A124646 [1,0,1,0,0,0|2,0,0]=4 178 B7R0.4 C=CCCCC(=O)O H157078 [1,0,1,0,0,0|0,0,1]=3 179 B7R0.4 CC(=O)CCCCCl C108058 [1,0,1,0,0,0|2,0,0]=4 180 B7R0.4 CC(=O)OCCCCl C135233 [1,0,1,0,0,0|1,0,1]=4 181 B7R0.4 CC(=O)OCCOC M106167 [1,0,1,0,0,0|1,0,1]=4 182 B7R0.4 CCCC=CC(=O)C H156932 [1,0,1,0,0,0|1,0,0]=3 183 B7R0.4 CCCC=CC(=O)O H107513 [1,0,1,0,0,0|2,0,0]=4 184 B7R0.4 CCCC=CC(=O)O H400070 [1,0,1,0,0,0|2,0,0]=4 185 B7R0.4 CCCCCC(=O)C H103803 [1,0,1,0,0,0|1,0,1]=4 186 B7R0.4 CCCCCC(=O)C H103827 [1,0,1,0,0,0|1,0,1]=4 187 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,1,0,0,0|1,0,1]=4 188 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,1,0,0,0|1,0,1]=4 189 B7R0.4 CCCCCC(=O)N H157108 [1,0,1,0,0,0|1,0,1]=4 190 B7R0.4 CCCCCC(=O)O H103630 [1,0,1,0,0,0|0,0,1]=3 191 B7R0.4 CCCCCC(=O)O H103631 [1,0,1,0,0,0|0,0,1]=3 192 B7R0.4 CCCCCC(=O)O H103632 [1,0,1,0,0,0|0,0,1]=3 193 B7R0.4 CCCCCC(=O)O H278778 [1,0,1,0,0,0|0,0,1]=3 194 B7R0.4 CCCCCC(=O)O H432079 [1,0,1,0,0,0|0,0,1]=3 195 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,1,0,0,0|0,0,2]=4 196 B7R0.4 CCCCOC(=O)C B116224 [1,0,1,0,0,0|0,0,1]=3 197 B7R0.4 CCCCOC(=O)C B116225 [1,0,1,0,0,0|0,0,1]=3 198 B7R0.4 CCCCOC(=O)C B116227 [1,0,1,0,0,0|0,0,1]=3 199 B7R0.4 CCCCOC(=O)C B116228 [1,0,1,0,0,0|0,0,1]=3 200 B7R0.4 CCCCOC(=O)C B119685 [1,0,1,0,0,0|0,0,1]=3 201 B7R0.4 CCCCOC(=O)N B152422 [1,0,1,0,0,0|1,0,1]=4 202 B7R0.4 CCOCCC(=O)O E156172 [1,0,1,0,0,0|1,0,1]=4 203 B7R0.4 CNCCCC(=O)O M276212 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.4 CNCCCC(=O)O M397624 [1,0,1,0,0,0|1,0,1]=4 205 B7R0.4 COCCCC(=O)O M192558 [1,0,1,0,0,0|1,0,1]=4 206 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,0,1,0,0,0|1,0,1]=4 207 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,0,1,0,0,0|1,0,1]=4 208 B7R1.24 C1CCC=CCC1 C153473 [2,0,0,0,0,0|1,0,1]=4 209 B7R1.24 C1CCCOCC1 H157291 [2,0,0,0,0,0|0,0,2]=4 210 B9R0.4 CCCOC(=O)CC(=O)C P160059 [0,1,1,0,0,0|2,0,0]=4 211 B9R0.5 CCCCCC(=O)OC=C V162949 [0,1,1,0,0,0|1,0,0]=3 212 B9R0.5 CCCCCC(=O)OCC E103497 [0,1,1,0,0,0|1,0,1]=4 213 B9R0.5 CCCCCC(=O)OCC E103498 [0,1,1,0,0,0|1,0,1]=4 214 B9R0.5 CCCCCC(=O)OCC E103499 [0,1,1,0,0,0|1,0,1]=4 215 B9R0.5 CCCCOC(=O)C=CC B152883 [0,1,1,0,0,0|2,0,0]=4 216 B9R0.5 CCCCOC(=O)C=CC B293404 [0,1,1,0,0,0|2,0,0]=4 217 B9R0.5 CCOC(=O)CCCCBr E156150 [0,1,1,0,0,0|1,0,1]=4 218 B9R0.5 CCOC(=O)CCCCN E183506 [0,1,1,0,0,0|1,0,1]=4 219 B9R0.5 CCOCCC(=O)OCC E108066 [0,1,1,0,0,0|1,0,1]=4 220 B9R0.34 CCC(C)CC(=O)OCC E117866 [0,1,1,0,0,0|1,0,1]=4 221 B9R0.35 CCCC(C(=O)OCC)Br E139089 [0,1,1,0,0,0|1,0,1]=4 222 B9R0.35 CCCC(C(=O)OCC)N L135831 [0,1,1,0,0,0|1,0,1]=4 223 B9R0.35 CCCC(C)C(=O)OCC E110162 [0,1,1,0,0,0|1,0,1]=4 224 B9R0.48 CCOC(=O)CCC(C)C E169064 [0,1,1,0,0,0|1,0,1]=4 225 B9R0.6 CCOC(=O)C(C(=O)C)Cl E124653 [0,1,1,0,0,0|2,0,0]=4 226 B9R0.6 CCOC(=O)C(C(=O)C)F E156450 [0,1,1,0,0,0|2,0,0]=4 227 B9R0.6 CCOC(=O)C(C)C(=O)C E156155 [0,1,1,0,0,0|2,0,0]=4 228 B9R0.23 CCC(C)C(=O)OC(C)C I117678 [0,1,1,0,0,0|1,0,1]=4 229 B9R0.53 CC(C)OC(=O)CC(=O)C I111058 [0,1,1,0,0,0|2,0,0]=4 230 B9R0.2 C#CCCCCCC(=O)O O491862 [0,1,1,0,0,0|1,0,1]=4 231 B9R0.2 C(CCCBr)CCC(=O)O B138642 [0,1,1,0,0,0|1,0,1]=4 232 B9R0.2 C(CCCN)CCC(=O)O A151309 [0,1,1,0,0,0|1,0,1]=4 233 B9R0.2 C(CCCN)CCC(=O)O A334272 [0,1,1,0,0,0|1,0,1]=4 234 B9R0.2 C(CCCO)CCC(=O)O H334249 [0,1,1,0,0,0|0,0,2]=4 235 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O A151193 [0,1,1,0,0,0|2,0,0]=4 236 B9R0.2 C=CCCCCCC(=O)O O168152 [0,1,1,0,0,0|1,0,0]=3 237 B9R0.2 CC(=O)OCCCCC=C H157305 [0,1,1,0,0,0|2,0,0]=4 238 B9R0.2 CCCCCCCC(=O)O N421038 [0,1,1,0,0,0|1,0,1]=4 239 B9R0.2 CCCCCCCC(=O)O O108276 [0,1,1,0,0,0|1,0,1]=4 240 B9R0.2 CCCCCCCC(=O)O O108277 [0,1,1,0,0,0|1,0,1]=4 241 B9R0.2 CCCCCCCC(=O)O O108278 [0,1,1,0,0,0|1,0,1]=4 242 B9R0.2 CCCCCCCC(=O)O O108279 [0,1,1,0,0,0|1,0,1]=4 243 B9R0.2 CCCCCCCC(=O)O O431649 [0,1,1,0,0,0|1,0,1]=4 244 B9R0.2 CCCCCCCC(=O)O R113304 [0,1,1,0,0,0|1,0,1]=4 245 B9R0.2 COCCCCCC(=O)O M170253 [0,1,1,0,0,0|0,0,2]=4 246 B9R0.46 CCCCCCC(=O)OC M158054 [0,1,1,0,0,0|1,0,1]=4 247 B9R0.46 CCCCCCC(=O)OC M158149 [0,1,1,0,0,0|1,0,1]=4 248 B9R0.46 COC(=O)CCCCCN M138421 [0,1,1,0,0,0|1,0,1]=4 249 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [0,1,1,0,0,0|1,0,1]=4 250 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [0,1,1,0,0,0|1,0,1]=4 251 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [0,1,1,0,0,0|1,0,1]=4 252 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [0,1,1,0,0,0|1,0,1]=4 253 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [0,1,1,0,0,0|1,0,1]=4 254 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [0,1,1,0,0,0|1,0,1]=4 255 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [0,1,1,0,0,0|1,0,1]=4 256 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [0,1,1,0,0,0|1,0,1]=4 257 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [0,1,1,0,0,0|1,0,1]=4 258 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [0,1,1,0,0,0|1,0,1]=4 259 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [0,1,1,0,0,0|1,0,1]=4 260 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [0,1,1,0,0,0|1,0,1]=4 261 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [0,1,1,0,0,0|1,0,1]=4 262 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [0,1,1,0,0,0|1,0,1]=4 263 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [0,1,1,0,0,0|1,0,1]=4 264 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [0,1,1,0,0,0|1,0,1]=4 265 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [0,1,1,0,0,0|1,0,1]=4 266 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [0,1,1,0,0,0|1,0,1]=4 267 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [0,1,1,0,0,0|1,0,1]=4 268 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [0,1,1,0,0,0|1,0,1]=4 269 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [0,1,1,0,0,0|1,0,1]=4 270 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [0,1,1,0,0,0|1,0,1]=4 271 B9R0.47 C=CCSCC(C(=O)O)N I137523 [0,1,1,0,0,0|2,0,0]=4 272 B9R0.47 CCCCCC(C(=O)O)N D137428 [0,1,1,0,0,0|1,0,1]=4 273 B9R0.47 CCCCCC(C(=O)O)N S193453 [0,1,1,0,0,0|1,0,1]=4 274 B9R0.47 CCCCCC(C)C(=O)O M102645 [0,1,1,0,0,0|1,0,1]=4 275 B9R0.55 C(C(=O)O)SSCC(=O)O D113563 [0,1,1,0,0,0|2,0,0]=4 276 B9R0.55 C(C=CCC(=O)O)C(=O)O T162070 [0,1,1,0,0,0|0,0,2]=4 277 B9R0.55 C(CC(=O)O)CN=C(N)N G300266 [0,1,1,0,0,0|2,0,0]=4 278 B9R0.55 C(CC(=O)O)CN=C(N)N G424089 [0,1,1,0,0,0|2,0,0]=4 279 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A109761 [0,1,1,0,0,0|1,0,0]=3 280 B9R0.55 C(CCC(=O)N)CC(=O)N A151413 [0,1,1,0,0,0|1,0,0]=3 281 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [0,1,1,0,0,0|0,0,0]=2 282 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [0,1,1,0,0,0|0,0,0]=2 283 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [0,1,1,0,0,0|0,0,0]=2 284 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [0,1,1,0,0,0|0,0,0]=2 285 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [0,1,1,0,0,0|0,0,0]=2 286 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [0,1,1,0,0,0|0,0,0]=2 287 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [0,1,1,0,0,0|0,0,0]=2 288 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [0,1,1,0,0,0|0,0,0]=2 289 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [0,1,1,0,0,0|0,0,0]=2 290 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] A299362 [0,1,1,0,0,0|0,0,1]=3 291 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] D154297 [0,1,1,0,0,0|0,0,1]=3 292 B9R0.55 CC(=O)CCCCC(=O)O O135071 [0,1,1,0,0,0|0,0,0]=2 293 B9R0.55 CC(=O)NCCCC(=O)O A169398 [0,1,1,0,0,0|1,0,0]=3 294 B9R0.55 CC(C)CCCCC(=O)O M304994 [0,1,1,0,0,0|1,0,1]=4 295 B9R0.27 CCC(=O)C(C(=O)OC)F M404753 [0,1,1,0,0,0|2,0,0]=4 296 B9R0.42 CC(C)C(=O)CC(=O)OC M106811 [0,1,1,0,0,0|2,0,0]=4 297 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.5 C1CCNC(=O)C(C1)N S135609 [1,1,0,0,0,0|1,0,1]=4 299 B9R1.5 C1CCNC(=O)C(C1)N S588137 [1,1,0,0,0,0|1,0,1]=4 300 B9R1.5 CN1CCCCCC1=O N159776 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.3 CC1C(=O)CCCC1=O M158810 [0,1,0,0,1,0|1,0,0]=3 302 B9R1.34 CC1CC(=CC(=O)C1)C D338929 [0,1,0,0,1,0|2,0,0]=4 303 B9R1.34 CC1CC(=O)CC(=O)C1 M158841 [0,1,0,0,1,0|1,0,0]=3 304 B9R1.34 CC1CC(=O)OC(=O)C1 M158784 [0,1,0,0,1,0|0,0,0]=2 305 B9R1.34 CN1CC(=O)OC(=O)C1 M468701 [0,1,0,0,1,0|1,0,0]=3 306 B9R1.69 C1CC(=O)NC(=O)C1Br B589701 [0,1,0,0,1,0|1,0,0]=3 307 B9R1.69 C1CC(=O)NC(=O)C1N A175882 [0,1,0,0,1,0|1,0,0]=3 308 B9R1.69 C1CC(=O)NC(=O)C1N A303287 [0,1,0,0,1,0|1,0,0]=3 309 B9R1.69 C1CC(=O)NC(=O)C1N A588312 [0,1,0,0,1,0|1,0,0]=3 310 B9R1.69 C1CC(=O)NC(=O)C1N S588414 [0,1,0,0,1,0|1,0,0]=3 311 B9R1.69 CC1CNC(=O)NC1=O D304423 [0,1,0,0,1,0|2,0,0]=4 312 B9R1.69 CC1CNC(=O)NC1=O D425573 [0,1,0,0,1,0|2,0,0]=4 313 B9R1.15 C1CCC(=O)C(C1)C#N O589158 [0,1,0,0,1,0|1,0,1]=4 314 B9R1.15 COC1CCCCC1=O M158813 [0,1,0,0,1,0|0,0,2]=4 315 B9R1.40 CC1(CCCCC1=O)C D166342 [0,1,0,0,1,0|1,0,1]=4 316 B9R1.12 CCCCC1=CC=CO1 B152372 [0,0,1,1,0,0|2,0,0]=4 317 B9R1.22 CCC1C(=O)NC(=O)N1 E156340 [0,0,1,1,0,0|2,0,0]=4 318 B9R1.73 CCOC(=O)C1CCC1 E124243 [0,0,1,1,0,0|1,0,1]=4 319 B9R1.75 CCOC(=O)CC1CC1 E176712 [0,0,1,1,0,0|1,0,1]=4 320 B9R1.41 CC(=O)C1CCCC1=O A100983 [0,0,1,1,0,0|1,0,0]=3 321 B9R1.41 CC(=O)C1CCCC1=O A489643 [0,0,1,1,0,0|1,0,0]=3 322 B9R1.41 CC(=O)C1CCOC1=O A108065 [0,0,1,1,0,0|2,0,0]=4 323 B9R1.41 CC(=O)N1CCCC1=O A151305 [0,0,1,1,0,0|1,0,0]=3 324 B9R1.41 CC(=O)N1CCNC1=O A133901 [0,0,1,1,0,0|2,0,0]=4 325 B9R1.41 CC(=O)N1CCOC1=O A474228 [0,0,1,1,0,0|2,0,0]=4 326 B9R1.137 CC(=O)CC(=O)C1CC1 C168614 [0,0,1,1,0,0|1,0,0]=3 327 B9R1.6 C1CC(CC=C1)C(=O)O C102409 [0,0,1,1,0,0|1,0,1]=4 328 B9R1.6 C1CC(CC=C1)C(=O)O R176823 [0,0,1,1,0,0|1,0,1]=4 329 B9R1.6 C1CC(CC=C1)C(=O)O S161048 [0,0,1,1,0,0|1,0,1]=4 330 B9R1.6 C1CC(CNC1)C(=O)O P113283 [0,0,1,1,0,0|2,0,0]=4 331 B9R1.6 C1CC(CNC1)C(=O)O P119071 [0,0,1,1,0,0|2,0,0]=4 332 B9R1.6 C1CC(CNC1)C(=O)O P119075 [0,0,1,1,0,0|2,0,0]=4 333 B9R1.6 C1CC(CNC1)C(=O)O R195578 [0,0,1,1,0,0|2,0,0]=4 334 B9R1.6 C1CCC(CC1)C(=O)O C110756 [0,0,1,1,0,0|1,0,1]=4 335 B9R1.6 C1CCNC(C1)C(=O)O D331240 [0,0,1,1,0,0|1,0,1]=4 336 B9R1.6 C1CCNC(C1)C(=O)O D358401 [0,0,1,1,0,0|1,0,1]=4 337 B9R1.6 C1CCNC(C1)C(=O)O D424577 [0,0,1,1,0,0|1,0,1]=4 338 B9R1.6 C1CCNC(C1)C(=O)O H100528 [0,0,1,1,0,0|1,0,1]=4 339 B9R1.6 C1CCNC(C1)C(=O)O P101393 [0,0,1,1,0,0|1,0,1]=4 340 B9R1.6 C1CCNC(C1)C(=O)O P106214 [0,0,1,1,0,0|1,0,1]=4 341 B9R1.6 C1CCNC(C1)C(=O)O S136371 [0,0,1,1,0,0|1,0,1]=4 342 B9R1.6 C1CCNC(C1)C(=O)O S192036 [0,0,1,1,0,0|1,0,1]=4 343 B9R1.37 CC1=C(C(=O)OC1=O)C D103047 [0,0,1,1,0,0|0,0,2]=4 344 B9R2.109 C1CC2C(O2)C(=O)C1 O342678 [1,0,0,1,0,0|2,0,0]=4 345 B9R2.25 C1C2C1C(=O)OC2=O O133889 [0,0,0,1,1,0|0,0,0]=2 346 B11R2.202 C1CC2C(C1)C(=O)OC2=O I169885 [0,0,0,1,0,1|0,0,0]=2 347 B7R0.5 CCCC(=O)C(=O)C H106696 [0,0,1,0,1,0|0,0,0]=2 348 B7R0.5 CCCC(=O)C(=O)O O159954 [0,0,1,0,1,0|1,0,0]=3 349 B7R0.5 CCCC(C)C(=O)C M158798 [0,0,1,0,1,0|1,0,1]=4 350 B7R0.5 CCOC(=O)C(=C)C E103001 [0,0,1,0,1,0|2,0,0]=4 351 B7R0.5 CCOC(=O)C(=C)C E103002 [0,0,1,0,1,0|2,0,0]=4 352 B7R0.5 CCOC(=O)C(=C)C E492609 [0,0,1,0,1,0|2,0,0]=4 353 B7R0.5 CCOC(=O)C(=O)C E113332 [0,0,1,0,1,0|1,0,0]=3 354 B7R0.5 CCOC(=O)C(=O)Cl E109372 [0,0,1,0,1,0|2,0,0]=4 355 B7R0.5 CCOC(=O)C(=O)N E156399 [0,0,1,0,1,0|2,0,0]=4 356 B7R0.5 CCOC(=O)C(=O)[O-] E156500 [0,0,1,0,1,0|2,0,0]=4 357 B7R0.10 C(C(=O)C(=O)CBr)Br D171251 [0,0,1,0,1,0|2,0,0]=4 358 B7R0.10 CCC(=O)C(=O)CC H102539 [0,0,1,0,1,0|0,0,0]=2 359 B7R0.10 CCC(C(=O)CC)O P121219 [0,0,1,0,1,0|0,0,2]=4 360 B7R0.10 CNC(=O)C(=O)NC I171177 [0,0,1,0,1,0|2,0,0]=4 361 B7R0.10 COC(=O)C(=O)CBr M572938 [0,0,1,0,1,0|2,0,0]=4 362 B7R0.10 COC(=O)C(=O)OC D103008 [0,0,1,0,1,0|2,0,0]=4 363 B7R0.10 COC(=O)C(=O)OC D103009 [0,0,1,0,1,0|2,0,0]=4 364 B7R1.3 C1CC(=O)CNC1 P301951 [1,0,0,0,1,0|1,0,1]=4 365 B7R1.3 C1CC(=O)COC1 O175840 [1,0,0,0,1,0|1,0,1]=4 366 B7R1.3 C1CCC(=O)CC1 C116449 [1,0,0,0,1,0|0,0,1]=3 367 B7R1.3 C1CCC(=O)CC1 C116451 [1,0,0,0,1,0|0,0,1]=3 368 B7R1.3 C1CCC(=O)CC1 C116453 [1,0,0,0,1,0|0,0,1]=3 369 B7R1.3 C1CCC(=O)CC1 C116454 [1,0,0,0,1,0|0,0,1]=3 370 B7R1.3 C1CCC(=O)CC1 C295202 [1,0,0,0,1,0|0,0,1]=3 371 B7R1.3 C1CCC(=O)CC1 C471914 [1,0,0,0,1,0|0,0,1]=3 372 B7R1.3 C1CCC(=O)CC1 C615386 [1,0,0,0,1,0|0,0,1]=3 373 B7R1.3 C1CCNC(=O)C1 P160613 [1,0,0,0,1,0|1,0,0]=3 374 B7R1.3 C1CCOC(=O)C1 V100560 [1,0,0,0,1,0|0,0,0]=2 375 B7R1.3 C1CNC(=O)CN1 P135012 [1,0,0,0,1,0|2,0,0]=4 376 B7R1.3 C1CNC(=O)NC1 T162348 [1,0,0,0,1,0|2,0,0]=4 377 B7R1.3 C1CNC(=O)OC1 O170792 [1,0,0,0,1,0|1,0,0]=3 378 B7R1.3 C1COC(=O)C=C1 D155403 [1,0,0,0,1,0|0,0,2]=4 379 B7R1.3 C1COC(=O)CO1 D122246 [1,0,0,0,1,0|1,0,0]=3 380 B7R1.3 C1COC(=O)OC1 D155394 [1,0,0,0,1,0|1,0,0]=3 381 B7R1.3 C1COCC(=O)N1 M157861 [1,0,0,0,1,0|2,0,0]=4 382 B7R1.3 C1COCCC1=O T107483 [1,0,0,0,1,0|1,0,1]=4 383 B7R1.3 C1COS(=O)OC1 D137600 [1,0,0,0,1,0|2,0,0]=4 384 B7R1.3 C1CSCCC1=O T121984 [1,0,0,0,1,0|1,0,1]=4 385 B7R1.3 C=C1CCCCC1 M158229 [1,0,0,0,1,0|1,0,1]=4 386 B7R1.3 CC1=CCCCC1 M158209 [1,0,0,0,1,0|1,0,0]=3 387 B7R1.3 CC1=CCNCC1 M178460 [1,0,0,0,1,0|2,0,0]=4 388 B7R1.3 C[Si]1CCCCO1 P107083 [1,0,0,0,1,0|1,1,0]=4 389 B7R1.2 C1=CC(=O)OC1=O M116389 [0,0,0,0,2,0|0,0,2]=4 390 B7R1.2 C1=CC(=O)OC1=O M332470 [0,0,0,0,2,0|0,0,2]=4 391 B7R1.2 C1=CC(=O)OC1=O P134891 [0,0,0,0,2,0|0,0,2]=4 392 B7R1.2 C1=CC(=O)OC1=O P303284 [0,0,0,0,2,0|0,0,2]=4 393 B7R1.2 C1=CC(=O)OC1=O P304899 [0,0,0,0,2,0|0,0,2]=4 394 B7R1.2 C1=CC(=O)OC1=O P434514 [0,0,0,0,2,0|0,0,2]=4 395 B7R1.2 C1=CC(=O)OC1=O P434525 [0,0,0,0,2,0|0,0,2]=4 396 B7R1.2 C1=CC(=O)OC1=O P434526 [0,0,0,0,2,0|0,0,2]=4 397 B7R1.2 C1=CC(=O)OC1=O P493757 [0,0,0,0,2,0|0,0,2]=4 398 B7R1.2 C1C(=O)COC1=O T101326 [0,0,0,0,2,0|2,0,0]=4 399 B7R1.2 C1C(=O)NC(=O)N1 H100923 [0,0,0,0,2,0|2,0,0]=4 400 B7R1.2 C1C(=O)NC(=O)S1 T109725 [0,0,0,0,2,0|2,0,0]=4 401 B7R1.2 C1C(=O)OC(=O)N1 O132967 [0,0,0,0,2,0|1,0,0]=3 402 B7R1.2 C1CC(=O)CC1=O C138777 [0,0,0,0,2,0|1,0,0]=3 403 B7R1.2 C1CC(=O)NC1=O S104077 [0,0,0,0,2,0|1,0,0]=3 404 B7R1.2 C1CC(=O)NC1=O S104079 [0,0,0,0,2,0|1,0,0]=3 405 B7R1.2 C1CC(=O)OC1=O S104823 [0,0,0,0,2,0|0,0,0]=2 406 B7R1.2 C1CC(=O)OC1=O S104824 [0,0,0,0,2,0|0,0,0]=2 407 B7R1.2 CC1=CC(=O)CC1 M109537 [0,0,0,0,2,0|2,0,0]=4 408 B7R1.2 CC1=CCC(=O)O1 A151155 [0,0,0,0,2,0|1,0,1]=4 409 B7R1.2 CC1=CCC(=O)O1 A433012 [0,0,0,0,2,0|1,0,1]=4 410 B7R1.2 CC1CCC(=O)O1 V106294 [0,0,0,0,2,0|1,0,1]=4 411 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,0,0,0,2,0|0,0,2]=4 412 B7R1.4 C1CC(C(=O)C1)Cl C103555 [0,0,0,0,2,0|1,0,1]=4 413 B7R1.4 C1CC(C(=O)C1)Cl C598656 [0,0,0,0,2,0|1,0,1]=4 414 B7R1.4 C=C1CCOC1=O M108009 [0,0,0,0,2,0|2,0,0]=4 415 B7R1.4 CC1=CCCC1=O M165952 [0,0,0,0,2,0|1,0,1]=4 416 B7R1.4 CC1CCCC1=O M138029 [0,0,0,0,2,0|1,0,1]=4 417 B7R1.4 CN1CCCC1=O M100588 [0,0,0,0,2,0|2,0,0]=4 418 B7R1.4 CN1CCCC1=O M100589 [0,0,0,0,2,0|2,0,0]=4 419 B7R1.4 CN1CCCC1=O M100590 [0,0,0,0,2,0|2,0,0]=4 420 B7R1.4 CN1CCCC1=O M103246 [0,0,0,0,2,0|2,0,0]=4 421 B7R1.4 CN1CCCC1=O M103247 [0,0,0,0,2,0|2,0,0]=4 422 B7R1.4 CN1CCCC1=O M103248 [0,0,0,0,2,0|2,0,0]=4 423 B7R1.4 CN1CCCC1=O M103250 [0,0,0,0,2,0|2,0,0]=4 424 B7R1.4 CN1CCCC1=O M119668 [0,0,0,0,2,0|2,0,0]=4 425 B7R1.4 CN1CCCC1=O M434296 [0,0,0,0,2,0|2,0,0]=4