0 B9R0.35 CCCC(C(=O)CCC)O H101582 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.35 CCCC(C(=O)OCC)Br E139089 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.35 CCCC(C(=O)OCC)N L135831 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.35 CCCC(C)C(=O)OCC E110162 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.35 CCOC(=N)C(=O)OCC E195169 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.35 CCOC(=O)C(=O)OCC D110943 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.35 CCOC(=O)C(=O)OCC D110944 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.35 CCOC(=O)C(=O)OCC D489097 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.1 CCC#CC(=O)OCC E189158 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.1 CCCC(=O)OCCC P100043 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 CCCC(=O)OCCC P100044 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.1 CCCCC(=O)C=CC O160046 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.1 CCCCC(=O)CCC O160045 [1,0,0,0,0,0|0,0,0]=1 13 B8R0.1 CCCCC(=O)OCC E105293 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.1 CCCCC(=O)OCC E105294 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.1 CCCCC(=O)OCC E118465 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.1 CCCCC(CCC)O O159906 [1,0,0,0,0,0|0,0,1]=2 17 B8R0.1 CCCOC(=O)CC#N P160480 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.1 CCOC(=O)CCC=C E156151 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.1 CCOC(=O)CCCBr E106908 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.1 CCOC(=O)CCCBr E639064 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.1 CCOC(=O)CCCCl E135072 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.1 CCOC(=O)CCCCl E493598 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.1 CCOC(=O)CCCN E122453 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.1 CCOC(=O)CCSC E107629 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.1 CCOCC(=O)OCC E195171 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.3 CC(COC)C(=O)OC M157985 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.3 CCC(C(=O)OCC)Br E110204 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.3 CCC(C(=O)OCC)N E185185 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.3 CCC(C(=O)OCC)O E156260 [1,0,0,0,0,0|1,0,0]=2 31 B8R0.3 CCC(C)C(=O)C=CC W136042 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.3 CCC(C)C(=O)OCC E117676 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.3 CCCC(=O)C(C)CC M158867 [1,0,0,0,0,0|1,0,0]=2 34 B8R0.3 CCCC(=O)N(C)OC N404707 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.3 CCCC(C(=O)NO)N B300173 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.3 CCCC(C)C(=O)OC B300583 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.3 CCOC(=O)C(CBr)Br E102371 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.3 CCOC(=O)C(CCl)O E357552 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.3 CCOC(=O)C(CO)N D188981 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.3 CCOC(=O)C(CO)N S105478 [1,0,0,0,0,0|3,0,0]=4 41 B8R0.3 CCOC(=O)C(CS)N C100827 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.3 COC(=O)C(CCBr)Br M588617 [1,0,0,0,0,0|3,0,0]=4 43 B10R0.19 CCCCC(C(=O)OCC)Br E117976 [0,1,0,0,0,0|2,0,0]=3 44 B10R0.19 CCOC(=O)C(CCSC)N S169307 [0,1,0,0,0,0|2,0,0]=3 45 B10R0.32 CCOC(=O)C(CC(C)C)N L100533 [0,1,0,0,0,0|2,0,0]=3 46 B10R0.32 CCOC(=O)C(CC(C)C)O E156251 [0,1,0,0,0,0|1,0,0]=2 47 B10R0.35 CCC(=O)C(C(=O)OCC)F E186446 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.4 C=CCC1CCCCC1=O A151742 [0,0,0,1,0,0|1,0,2]=4 49 B10R1.4 CCCC1CCCCC1=O P160132 [0,0,0,1,0,0|1,0,0]=2 50 B10R1.7 C1CCCC(C(CC1)O)O C346997 [0,0,0,1,0,0|0,0,2]=3 51 B10R1.11 CCOC(=O)C1CCCN1 S161203 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.11 CCOC(=O)C1CSCN1 R195373 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.212 CCOC(=O)C(C1CC1)Br E172503 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.401 CCOC(=O)C1(CCC1)Br E169805 [0,0,0,1,0,0|2,0,0]=3 55 B10R0.2 CCCC(=O)CC(=O)OCC E107545 [0,0,0,0,0,1|1,0,2]=4 56 B10R0.2 CCCC(=O)OC(=O)CCC B108974 [0,0,0,0,0,1|0,0,2]=3 57 B10R0.2 CCCC(CC(=O)OCC)O E117524 [0,0,0,0,0,1|1,0,0]=2 58 B10R0.2 CCOC(=O)CC(CC#N)O E121627 [0,0,0,0,0,1|2,0,1]=4 59 B7R0.1 CCC=CCCCO C153484 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.1 CCCC#CCCC O106927 [2,0,0,0,0,0|0,0,2]=4 61 B7R0.1 CCCC=CCCC C153585 [2,0,0,0,0,0|0,0,1]=3 62 B7R0.1 CCCC=CCCC T161815 [2,0,0,0,0,0|0,0,1]=3 63 B7R0.1 CCCC=CCCO C332847 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.1 CCCCC=CCC C153584 [2,0,0,0,0,0|0,0,1]=3 65 B7R0.1 CCCCC=CCC T161817 [2,0,0,0,0,0|0,0,1]=3 66 B7R0.1 CCCCC=CCO T161435 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.1 CCCCCCCBr B109258 [2,0,0,0,0,0|1,0,1]=4 68 B7R0.1 CCCCCCCC O100577 [2,0,0,0,0,0|0,0,1]=3 69 B7R0.1 CCCCCCCC O100578 [2,0,0,0,0,0|0,0,1]=3 70 B7R0.1 CCCCCCCC O100580 [2,0,0,0,0,0|0,0,1]=3 71 B7R0.1 CCCCCCCC O100581 [2,0,0,0,0,0|0,0,1]=3 72 B7R0.1 CCCCCCCC O119714 [2,0,0,0,0,0|0,0,1]=3 73 B7R0.1 CCCCCCCCl C153657 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.1 CCCCCCCI I157581 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.1 CCCCCCCN H113175 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.1 CCCCCCCO H108210 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.1 CCCCCCCO H108211 [2,0,0,0,0,0|1,0,1]=4 78 B7R0.1 CCCCCCCO H108212 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.1 CCCCCCCS H102322 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.1 CCCCCCNC N341547 [2,0,0,0,0,0|1,0,1]=4 81 B7R0.1 CCCCCCOC H157292 [2,0,0,0,0,0|1,0,1]=4 82 B7R0.1 CCCCNCCN N159361 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.1 CCCCNCCO B140397 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.1 CCCCNCCO B299088 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.1 CCCCNCCS B469395 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.1 CCCCOCCCl B152831 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.1 CCCCOCCN B357161 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.1 CCCCOCCO E110823 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.1 CCCCOCCO E110827 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.1 CCCNCCCN I168897 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.1 CCCNCCOC N158962 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.1 CCCSSCCC D102910 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.3 CCC(=O)NCCO N158966 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.3 CCCCC(=C)CC E156236 [2,0,0,0,0,0|1,0,0]=3 95 B7R0.3 CCCCC(=O)CC H103766 [2,0,0,0,0,0|0,0,0]=2 96 B7R0.3 CCCCC(=O)NN P135113 [2,0,0,0,0,0|2,0,0]=4 97 B7R0.3 CCCCC(=O)OC M108213 [2,0,0,0,0,0|1,0,0]=3 98 B7R0.3 CCCCC(=O)OC M108214 [2,0,0,0,0,0|1,0,0]=3 99 B7R0.3 CCCCC(C)CC M113650 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.3 CCCCC(CC)Br B152441 [2,0,0,0,0,0|1,0,1]=4 101 B7R0.3 CCCCC(CC)O H156872 [2,0,0,0,0,0|0,0,1]=3 102 B7R0.3 CCCCC(CO)O H108067 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.3 CCCNC(C)CC N158968 [2,0,0,0,0,0|2,0,0]=4 104 B7R0.3 CCCOC(=O)CC P111531 [2,0,0,0,0,0|1,0,0]=3 105 B7R0.3 CCCOC(=O)CC P111532 [2,0,0,0,0,0|1,0,0]=3 106 B7R0.3 COC(=O)CCCBr M158832 [2,0,0,0,0,0|2,0,0]=4 107 B7R0.3 COC(=O)CCCBr M492178 [2,0,0,0,0,0|2,0,0]=4 108 B7R0.3 COC(=O)CCCCl C108118 [2,0,0,0,0,0|2,0,0]=4 109 B7R0.3 COC(=O)CCCI M167258 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.3 COC(=O)CCCN M124081 [2,0,0,0,0,0|2,0,0]=4 111 B7R0.3 COC(=O)CCSC M302466 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.3 COCCC(=O)OC M134953 [2,0,0,0,0,0|2,0,0]=4 113 B7R0.7 CCCC(=O)CCC H103840 [2,0,0,0,0,0|0,0,0]=2 114 B7R0.7 CCCC(=O)CCC H103841 [2,0,0,0,0,0|0,0,0]=2 115 B7R0.7 CCCC(=O)OCC E101116 [2,0,0,0,0,0|1,0,0]=3 116 B7R0.7 CCCC(=O)OCC E101117 [2,0,0,0,0,0|1,0,0]=3 117 B7R0.7 CCCC(=O)OCC E101119 [2,0,0,0,0,0|1,0,0]=3 118 B7R0.7 CCCC(=O)OCCl C153957 [2,0,0,0,0,0|2,0,0]=4 119 B7R0.7 CCCC(C)CCC M113651 [2,0,0,0,0,0|1,0,0]=3 120 B7R0.7 CCCC(CCC)N H156930 [2,0,0,0,0,0|1,0,0]=3 121 B7R0.7 CCCC(CCC)O H156873 [2,0,0,0,0,0|0,0,0]=2 122 B7R0.7 CCCC(CCO)S M102905 [2,0,0,0,0,0|1,1,0]=4 123 B7R0.7 CCCN(C)CCC I169711 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.7 CCNC(=O)NCC D108032 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.7 CCOC(=O)CCBr E106956 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.7 CCOC(=O)CCCl E100652 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.7 CCOC(=O)CCI E185756 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.7 CCOC(=O)CCN A100434 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.7 CCOC(=O)CCO E185621 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.7 CCOC(=O)CCS E119585 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.7 CCOC(=O)CC[CH2-] E465885 [2,0,0,0,0,0|1,0,1]=4 132 B7R0.7 CCOC(=O)CNC E115901 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.7 CCOC(=O)COC E136304 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.7 CCOC(=O)CSC E156475 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.7 CCOC(=O)OCC D103040 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.7 COCC(COC)O D194254 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.5 C(CN)C(C(=O)O)O H181248 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.5 C(CN)C(C(=O)O)O S161042 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.5 CCCC(=O)C(=O)C H106696 [2,0,0,0,0,0|0,0,2]=4 140 B7R0.5 CCCC(=O)C(=O)O O159954 [2,0,0,0,0,0|1,0,1]=4 141 B7R0.5 CCCC(C(=O)O)Br B152768 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.5 CCCC(C(=O)O)N N100542 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.5 CCCC(C(=O)O)N N106191 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.5 CCCC(C(=O)O)N N106215 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.5 CCCC(C(=O)O)O S193305 [2,0,0,0,0,0|1,0,0]=3 146 B7R0.5 CCCC(C(=O)[O-])O B301319 [2,0,0,0,0,0|1,0,0]=3 147 B7R0.5 CCCC(C)C(=O)C M158798 [2,0,0,0,0,0|1,0,0]=3 148 B7R0.5 CCCC(C)C(=O)O B300596 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.5 CCCC(C)C(=O)O M117868 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.5 CCCC(C)C(=O)O M427193 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.5 CCOC(=O)C(C)Br E106089 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.5 CCOC(=O)C(C)Br E400066 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.5 CCOC(=O)C(C)C E156123 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.5 CCOC(=O)C(C)Cl E100647 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.5 CCOC(=O)C(C)F E135615 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.5 CCOC(=O)C(C)I E156364 [2,0,0,0,0,0|2,0,0]=4 157 B7R0.5 CCOC(=O)C(C)N A109010 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.5 CCOC(=O)C(C)N A117183 [2,0,0,0,0,0|2,0,0]=4 159 B7R0.5 CCOC(=O)C(C)N D304158 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.5 CCOC(=O)C(C)O E104551 [2,0,0,0,0,0|1,0,0]=3 161 B7R0.5 CCOC(=O)C(C)O E104553 [2,0,0,0,0,0|1,0,0]=3 162 B7R0.5 CCOC(=O)C(C)O E104554 [2,0,0,0,0,0|1,0,0]=3 163 B7R0.5 CCOC(=O)C(C)O E108228 [2,0,0,0,0,0|1,0,0]=3 164 B7R0.5 CCOC(=O)C(C)O E108230 [2,0,0,0,0,0|1,0,0]=3 165 B7R0.5 CCOC(=O)C(C)O E465744 [2,0,0,0,0,0|1,0,0]=3 166 B7R0.5 CCOC(=O)C(C)S E156189 [2,0,0,0,0,0|1,1,0]=4 167 B7R0.10 CCC(=O)C(=O)CC H102539 [2,0,0,0,0,0|0,0,2]=4 168 B7R0.10 CCC(C(=O)CC)O P121219 [2,0,0,0,0,0|0,0,0]=2 169 B7R0.10 CCC(C(=O)OC)Br M110203 [2,0,0,0,0,0|2,0,0]=4 170 B7R0.10 CCC(C(=O)OC)N D134538 [2,0,0,0,0,0|2,0,0]=4 171 B7R0.10 CCC(C(=O)OC)N S304011 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.10 CCC(C(=O)OC)O M588620 [2,0,0,0,0,0|1,0,0]=3 173 B7R0.10 CCC(C(=O)OC)O M590030 [2,0,0,0,0,0|1,0,0]=3 174 B7R0.10 CCC(C(=O)OC)O R590029 [2,0,0,0,0,0|1,0,0]=3 175 B7R0.10 CCC(C)C(=O)OC M157989 [2,0,0,0,0,0|2,0,0]=4 176 B7R0.10 COC(=O)C(CO)O R587787 [2,0,0,0,0,0|2,0,0]=4 177 B7R0.10 COC(=O)C(CO)O S178884 [2,0,0,0,0,0|2,0,0]=4 178 B9R0.4 CCCOC(=O)CC(=O)C P160059 [1,1,0,0,0,0|1,0,1]=4 179 B9R0.4 CCCOC(=O)CC(C)C D303979 [1,1,0,0,0,0|1,0,0]=3 180 B9R0.5 CCC=CCC(=O)OCC E117700 [1,1,0,0,0,0|1,0,1]=4 181 B9R0.5 CCCC=CC(=O)OCC E117526 [1,1,0,0,0,0|1,0,1]=4 182 B9R0.5 CCCCCC(=O)CCC N158991 [1,1,0,0,0,0|0,0,0]=2 183 B9R0.5 CCCCCC(=O)OCC E103497 [1,1,0,0,0,0|1,0,0]=3 184 B9R0.5 CCCCCC(=O)OCC E103498 [1,1,0,0,0,0|1,0,0]=3 185 B9R0.5 CCCCCC(=O)OCC E103499 [1,1,0,0,0,0|1,0,0]=3 186 B9R0.5 CCCCCC(C)CCC M158520 [1,1,0,0,0,0|1,0,1]=4 187 B9R0.5 CCCCOC(=O)C=CC B152883 [1,1,0,0,0,0|0,0,2]=4 188 B9R0.5 CCCCOC(=O)C=CC B293404 [1,1,0,0,0,0|0,0,2]=4 189 B9R0.5 CCCCOC(=O)CC#N B133488 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.5 CCCCOC(=O)CCC B103463 [1,1,0,0,0,0|0,0,0]=2 191 B9R0.5 CCCCOC(=O)CCC B103464 [1,1,0,0,0,0|0,0,0]=2 192 B9R0.5 CCCCOC(=O)CCS B340486 [1,1,0,0,0,0|1,0,0]=3 193 B9R0.5 CCOC(=O)CCCCBr E156150 [1,1,0,0,0,0|1,0,0]=3 194 B9R0.5 CCOC(=O)CCCCN E183506 [1,1,0,0,0,0|1,0,0]=3 195 B9R0.5 CCOC(=O)COCCCl E305168 [1,1,0,0,0,0|2,0,0]=4 196 B9R0.5 CCOCCC(=O)OCC E108066 [1,1,0,0,0,0|1,0,0]=3 197 B9R0.8 CCCOC(=O)C(C)CC P160535 [1,1,0,0,0,0|1,0,0]=3 198 B9R0.18 C(CC(=O)CCCCl)CCl D193277 [1,1,0,0,0,0|1,0,0]=3 199 B9R0.18 CCCCC(=O)CCCC N102321 [1,1,0,0,0,0|0,0,0]=2 200 B9R0.18 CCCCC(C)CCCC M158523 [1,1,0,0,0,0|1,0,1]=4 201 B9R0.18 CCCCC(CCCC)O N159700 [1,1,0,0,0,0|0,0,1]=3 202 B9R0.18 CCCCN(C)CCCC I169712 [1,1,0,0,0,0|2,0,0]=4 203 B9R0.18 CCCCN(C)CCCC N494461 [1,1,0,0,0,0|2,0,0]=4 204 B9R0.18 CCCCS(=O)CCCC D155298 [1,1,0,0,0,0|1,0,0]=3 205 B9R0.18 CCCC[Sn](=O)CCCC D112984 [1,1,0,0,0,0|1,0,0]=3 206 B9R0.18 CCCOC(=O)OCCC D107452 [1,1,0,0,0,0|1,0,0]=3 207 B9R0.18 CCOCC(COCC)O D154147 [1,1,0,0,0,0|1,0,1]=4 208 B9R0.34 CCC(=O)CC(=O)OCC E122416 [1,1,0,0,0,0|1,0,1]=4 209 B9R0.34 CCC(C)CC(=O)OCC E117866 [1,1,0,0,0,0|1,0,0]=3 210 B9R0.34 CCCC(=O)CC(=O)OC M158148 [1,1,0,0,0,0|1,0,1]=4 211 B9R0.34 CCCC(=O)OC(C)CC S161087 [1,1,0,0,0,0|1,0,0]=3 212 B9R0.34 CCCC(C)CC(C)CC D155216 [1,1,0,0,0,0|1,0,1]=4 213 B9R0.34 CCOC(=O)CC(CCl)O C108078 [1,1,0,0,0,0|2,0,0]=4 214 B9R0.34 CCOC(=O)CC(CCl)O C108079 [1,1,0,0,0,0|2,0,0]=4 215 B9R0.48 CCCC(=O)OCC(C)C I157497 [1,1,0,0,0,0|1,0,0]=3 216 B9R0.48 CCOC(=O)CCC(=O)C E117674 [1,1,0,0,0,0|1,0,1]=4 217 B9R0.48 CCOC(=O)CCC(C)C E169064 [1,1,0,0,0,0|1,0,0]=3 218 B9R0.6 CCOC(=O)C(C(C)Br)Br E156140 [1,1,0,0,0,0|2,0,0]=4 219 B9R0.6 CCOC(=O)C(C(C)C)Br E156152 [1,1,0,0,0,0|2,0,0]=4 220 B9R0.6 CCOC(=O)C(C(C)C)N V117195 [1,1,0,0,0,0|2,0,0]=4 221 B9R0.23 CC(C)CC(C(=O)OC)N L109004 [1,1,0,0,0,0|2,0,0]=4 222 B9R0.23 CC(C)CC(C(=O)OC)N L113357 [1,1,0,0,0,0|2,0,0]=4 223 B9R0.23 CCC(C)C(=O)OC(C)C I117678 [1,1,0,0,0,0|2,0,0]=4 224 B9R0.27 C(C(C(C(=O)CO)O)O)O D333689 [1,1,0,0,0,0|2,0,0]=4 225 B9R0.27 CCC(C)C(C(=O)OC)N I109005 [1,1,0,0,0,0|2,0,0]=4 226 B9R0.27 CCC(C)C(C(=O)OC)N M169087 [1,1,0,0,0,0|2,0,0]=4 227 B9R0.37 CCC(CC)C(=O)OCC E156255 [1,1,0,0,0,0|2,0,0]=4 228 B9R0.37 CCCC(C(CC)CO)O E106163 [1,1,0,0,0,0|0,0,2]=4 229 B9R0.37 CCCC(C(CC)CO)O E106164 [1,1,0,0,0,0|0,0,2]=4 230 B11R0.155 CCCCOC(=O)C(C)CCC B151849 [0,2,0,0,0,0|1,0,0]=3 231 B11R0.155 CCOC(=O)C(CCCCN)N L100450 [0,2,0,0,0,0|2,0,0]=4 232 B11R0.61 CCOC(C(=O)OCC)OCC E102769 [0,2,0,0,0,0|2,0,0]=4 233 B9R1.2 CCC1CCCC(C1)C E156078 [1,0,0,1,0,0|1,0,1]=4 234 B9R1.2 CCN1CCCC(C1)O E156421 [1,0,0,1,0,0|1,0,1]=4 235 B9R1.8 C1CCC(=CC1)CCN C153571 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.8 C1COC(OC1)CCBr B113749 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.8 CCCC1CCCCC1 P160285 [1,0,0,1,0,0|1,0,1]=4 238 B9R1.12 CCCCN1CCCC1 B123038 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.15 C1CCC(=O)C(C1)C#N O589158 [1,0,0,1,0,0|1,0,1]=4 240 B9R1.15 CCC1CCCCC1C E156070 [1,0,0,1,0,0|1,0,1]=4 241 B9R1.15 CCC1CCCCC1O E156074 [1,0,0,1,0,0|0,0,1]=3 242 B9R1.15 COC1CCCCC1=O M158813 [1,0,0,1,0,0|1,0,0]=3 243 B9R1.27 CCC1C(=O)CCC1=O E156451 [1,0,0,1,0,0|1,0,1]=4 244 B9R1.33 C1CC(=O)N(C1)CCO H124555 [1,0,0,1,0,0|2,0,0]=4 245 B9R1.33 C1CC(=O)N(C1)CCO H299071 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.48 C1CCC(=O)CC(=O)C1 W134267 [1,0,0,1,0,0|1,0,1]=4 247 B9R1.49 CN1CCCC(=O)CC1 M587966 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.50 C1CCCC(=O)CCC1 C106984 [1,0,0,1,0,0|0,0,0]=2 249 B9R1.50 C1CCCC(CCC1)N C153969 [1,0,0,1,0,0|1,0,1]=4 250 B9R1.50 C1CCCC(CCC1)O C153307 [1,0,0,1,0,0|0,0,1]=3 251 B9R1.50 C1CCCNC(=O)CC1 O159930 [1,0,0,1,0,0|1,0,0]=3 252 B9R1.69 CC1CCC(=O)CC1C D154364 [1,0,0,1,0,0|0,0,0]=2 253 B9R1.69 CC1CCC(C(C1)C)C T161696 [1,0,0,1,0,0|1,0,1]=4 254 B9R1.69 CC1CCC(CC1C)O D155902 [1,0,0,1,0,0|0,0,1]=3 255 B9R1.73 CCOC(=O)C1CCC1 E124243 [1,0,0,1,0,0|1,0,0]=3 256 B9R1.73 CCOC(=O)C1CNC1 E176414 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.75 CCOC(=O)CC1CC1 E176712 [1,0,0,1,0,0|1,0,0]=3 258 B9R1.134 CCC[N+]1(CCCC1)C M304773 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.3 CC1CCCC(C1=O)C D154369 [1,0,0,1,0,0|1,0,0]=3 260 B9R1.3 CC1CCCC(C1C)O D155904 [1,0,0,1,0,0|1,0,1]=4 261 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.5 C1CCNC(=O)C(C1)N S135609 [1,0,0,1,0,0|2,0,0]=4 263 B9R1.5 C1CCNC(=O)C(C1)N S588137 [1,0,0,1,0,0|2,0,0]=4 264 B9R1.5 CN1CCCCCC1=O N159776 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.11 COC(=O)C1CCCC1 M158004 [1,0,0,1,0,0|2,0,0]=4 266 B9R1.11 COC(=O)C1CCCN1 P107637 [1,0,0,1,0,0|2,0,0]=4 267 B9R1.11 COC(=O)C1CCCN1 P109007 [1,0,0,1,0,0|2,0,0]=4 268 B9R1.11 COC(=O)C1CCCO1 M158460 [1,0,0,1,0,0|1,0,0]=3 269 B9R1.37 CC1CC(=O)C(=O)C1C D102535 [1,0,0,1,0,0|0,0,2]=4 270 B9R1.74 CCOC(=O)C1(CC1)C E420054 [1,0,0,1,0,0|2,0,0]=4 271 B9R1.74 CCOC(=O)C1(CC1)N E138829 [1,0,0,1,0,0|2,0,0]=4 272 B9R1.132 CCC1=C(C(=O)CC1)O E102537 [1,0,0,1,0,0|0,0,2]=4 273 B9R1.186 COC(=O)C1(CCC1)N A182810 [1,0,0,1,0,0|2,0,0]=4 274 B11R1.30 CCOC(=O)CC1CCCO1 E156287 [0,0,0,1,0,1|1,0,0]=3 275 B11R1.199 CCOC(=O)C1CCCC1N C348568 [0,0,0,1,0,1|2,0,0]=4 276 B11R1.16 CCOC(=O)C1CCCCN1 E156317 [0,1,0,1,0,0|2,0,0]=4 277 B11R1.16 CCOC(=O)C1CCCCN1 E346330 [0,1,0,1,0,0|2,0,0]=4 278 B11R1.16 CCOC(=O)C1CCCNC1 E119066 [0,1,0,1,0,0|2,0,0]=4 279 B11R1.16 CCOC(=O)C1CCCNC1 E119068 [0,1,0,1,0,0|2,0,0]=4 280 B11R1.16 CCOC(=O)C1CCCNC1 E119072 [0,1,0,1,0,0|2,0,0]=4 281 B11R1.16 CCOC(=O)C1CCCNC1 E135904 [0,1,0,1,0,0|2,0,0]=4 282 B11R1.16 CCOC(=O)C1CCCNC1 N128609 [0,1,0,1,0,0|2,0,0]=4 283 B11R1.16 CCOC(=O)C1CCNCC1 E123578 [0,1,0,1,0,0|2,0,0]=4 284 B11R1.16 CCOC(=O)C1CCNCC1 E174323 [0,1,0,1,0,0|2,0,0]=4 285 B11R1.16 CCOC(=O)C1SCCCS1 E156414 [0,1,0,1,0,0|1,1,0]=4 286 B11R1.222 CCC(C)C1CCCCC1=O S161424 [0,1,0,1,0,0|1,0,0]=3