0 B11R0.148 C(CCCCBr)CCCC(=O)O TS26010 [0,0,0,0,0,0|3,0,0]=3 1 B11R0.148 C(CCCCO)CCCC(=O)O TS45811 [0,0,0,0,0,0|3,0,0]=3 2 B11R0.148 C=CCCCCCCCC(=O)O TS12845 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.148 CC(=O)OCCCCCCC=C TS12859 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.148 CCCCC=CCCCC(=O)O TS45176 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.148 CCCCCC=CCCC(=O)O TS45160 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.148 CCCCCC=CCOC(=O)C TS45165 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.148 CCCCCCCC=CC(=O)O TS12863 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.148 CCCCCCCCCC(=C)C TS12605 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.148 CCCCCCCCCC(=O)C TS45200 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.148 CCCCCCCCCC(=O)N TS13057 [0,0,0,0,0,0|2,0,0]=2 11 B11R0.148 CCCCCCCCCC(=O)O TS45503 [0,0,0,0,0,0|2,0,0]=2 12 B11R0.148 CCCCCCCCCC(=O)[O-] TS69521 [0,0,0,0,0,0|2,0,0]=2 13 B11R0.148 CCCCCCCCCC(=O)[O-] TS84361 [0,0,0,0,0,0|2,0,0]=2 14 B11R0.148 CCCCCCCCCC(=O)[O-] TS92951 [0,0,0,0,0,0|2,0,0]=2 15 B11R0.148 CCCCCCCCCC(C)C TS45209 [0,0,0,0,0,0|2,0,1]=3 16 B11R0.148 CCCCCCCCCC(C)N TS45368 [0,0,0,0,0,0|2,0,1]=3 17 B11R0.148 CCCCCCCCNC(=S)N TS50807 [0,0,0,0,0,0|2,1,0]=3 18 B11R0.148 CCCCCCCCOC(=O)C TS45519 [0,0,0,0,0,0|0,0,0]=0 19 B11R0.148 CCCCCCCCOC(=O)Cl TS51574 [0,0,0,0,0,0|1,0,0]=1 20 B11R0.148 CCCCOCCOCC(=O)O TS46093 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.148 CCOCCOCCOC(=O)C TS46094 [0,0,0,0,0,0|2,0,0]=2 22 B11R0.148 CN(C)CCCCCCCCO TS45676 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.4 B(CCCCCCCC)(O)O TS41838 [1,0,0,0,0,0|2,0,1]=4 24 B10R0.4 C#CCCCCCCC(=O)O TS29475 [1,0,0,0,0,0|1,0,2]=4 25 B10R0.4 C(CCCC(=O)O)CCCBr TS01319 [1,0,0,0,0,0|2,0,0]=3 26 B10R0.4 C(CCCC(=O)O)CCCN TS11174 [1,0,0,0,0,0|2,0,0]=3 27 B10R0.4 C(CCCC(=O)O)CCCO TS11268 [1,0,0,0,0,0|2,0,0]=3 28 B10R0.4 C(CCNCCC(=O)O)CN TS68144 [1,0,0,0,0,0|3,0,0]=4 29 B10R0.4 CC(=O)OCCCCCC=C TS10714 [1,0,0,0,0,0|0,0,2]=3 30 B10R0.4 CC(=O)OCCCCCCBr TS50269 [1,0,0,0,0,0|1,0,0]=2 31 B10R0.4 CC(C)CCCCCCCO TS41982 [1,0,0,0,0,0|2,0,1]=4 32 B10R0.4 CCCC=CCCOC(=O)C TS10718 [1,0,0,0,0,0|0,0,2]=3 33 B10R0.4 CCCCC=CCOC(=O)C TS41636 [1,0,0,0,0,0|0,0,2]=3 34 B10R0.4 CCCCCC=CCC(=O)O TS41642 [1,0,0,0,0,0|1,0,2]=4 35 B10R0.4 CCCCCCC#CC(=O)O TS41396 [1,0,0,0,0,0|1,0,2]=4 36 B10R0.4 CCCCCCC=CC(=O)C TS10484 [1,0,0,0,0,0|0,0,2]=3 37 B10R0.4 CCCCCCC=CC(=O)O TS41637 [1,0,0,0,0,0|1,0,2]=4 38 B10R0.4 CCCCCCCCC(=O)C TS10747 [1,0,0,0,0,0|0,0,0]=1 39 B10R0.4 CCCCCCCCC(=O)Cl TS46204 [1,0,0,0,0,0|1,0,0]=2 40 B10R0.4 CCCCCCCCC(=O)N TS10891 [1,0,0,0,0,0|1,0,0]=2 41 B10R0.4 CCCCCCCCC(=O)O TS11031 [1,0,0,0,0,0|1,0,0]=2 42 B10R0.4 CCCCCCCCC(=O)[O-] TS14628 [1,0,0,0,0,0|1,0,0]=2 43 B10R0.4 CCCCCCCCC(C)Br TS49920 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.4 CCCCCCCCC(C)C TS10780 [1,0,0,0,0,0|1,0,1]=3 45 B10R0.4 CCCCCCCCC(C)O TS41974 [1,0,0,0,0,0|0,0,2]=3 46 B10R0.4 CCCCCCCCN(C)C TS22279 [1,0,0,0,0,0|2,0,0]=3 47 B10R0.4 CCCCCCCCN(C)C TS41817 [1,0,0,0,0,0|2,0,0]=3 48 B10R0.4 CCCCCCCC[C@H](C)O TS41983 [1,0,0,0,0,0|0,0,2]=3 49 B10R0.4 CCCCCCCC[N+](=O)[O-] TS11163 [1,0,0,0,0,0|2,0,0]=3 50 B10R0.4 CCCCCCCNC(=O)N TS41954 [1,0,0,0,0,0|2,0,0]=3 51 B10R0.4 CCCCCCCNC(=S)N TS13566 [1,0,0,0,0,0|2,1,0]=4 52 B10R0.4 CCCCCCCOC(=O)Cl TS47643 [1,0,0,0,0,0|1,0,0]=2 53 B10R0.4 CCCCOCCOC(=O)C TS11278 [1,0,0,0,0,0|1,0,0]=2 54 B10R0.4 CNCCCCCCN(C)C TS41989 [1,0,0,0,0,0|3,0,0]=4 55 B10R0.71 C=CCCCCCCCCBr TS22739 [1,0,0,0,0,0|2,0,1]=4 56 B10R0.71 C=CCCCCCCCCO TS41685 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.71 CCC=CCCCCCC=O TS10492 [1,0,0,0,0,0|1,0,2]=4 58 B10R0.71 CCCCCC=CCCC=O TS10501 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.71 CCCCCC=CCCC=O TS41430 [1,0,0,0,0,0|1,0,2]=4 60 B10R0.71 CCCCCCCC#CCC TS41206 [1,0,0,0,0,0|1,0,2]=4 61 B10R0.71 CCCCCCCC=CC=O TS41440 [1,0,0,0,0,0|1,0,1]=3 62 B10R0.71 CCCCCCCCCC#C TS41204 [1,0,0,0,0,0|1,0,2]=4 63 B10R0.71 CCCCCCCCCC#N TS10352 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.71 CCCCCCCCCC=C TS10512 [1,0,0,0,0,0|1,0,1]=3 65 B10R0.71 CCCCCCCCCC=O TS09040 [1,0,0,0,0,0|1,0,0]=2 66 B10R0.71 CCCCCCCCCCBr TS00033 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.71 CCCCCCCCCCC TS10779 [1,0,0,0,0,0|1,0,1]=3 68 B10R0.71 CCCCCCCCCCCl TS92952 [1,0,0,0,0,0|2,0,1]=4 69 B10R0.71 CCCCCCCCCCF TS42224 [1,0,0,0,0,0|2,0,1]=4 70 B10R0.71 CCCCCCCCCCI TS93518 [1,0,0,0,0,0|2,0,1]=4 71 B10R0.71 CCCCCCCCCCN TS41819 [1,0,0,0,0,0|2,0,1]=4 72 B10R0.71 CCCCCCCCCCO TS41975 [1,0,0,0,0,0|1,0,2]=4 73 B10R0.71 CCCCCCCCCCS TS13579 [1,0,0,0,0,0|1,1,1]=4 74 B10R0.71 CCCCCCCCCOC TS11057 [1,0,0,0,0,0|2,0,0]=3 75 B10R0.71 CCCCCCCCCSC TS13577 [1,0,0,0,0,0|2,0,0]=3 76 B10R0.71 CCCCCCCCN=C=O TS10607 [1,0,0,0,0,0|1,0,1]=3 77 B10R0.71 CCCCCCCCN=C=S TS45362 [1,0,0,0,0,0|1,1,1]=4 78 B10R0.71 CCCCCCCCNCC TS41820 [1,0,0,0,0,0|1,0,1]=3 79 B10R0.71 CCCCCCCCOC=O TS11019 [1,0,0,0,0,0|0,0,0]=1 80 B10R0.71 CCCCCCCCOCCl TS14311 [1,0,0,0,0,0|1,0,1]=3 81 B10R0.71 CCCCCCCCSC#N TS45363 [1,0,0,0,0,0|1,1,1]=4 82 B10R0.71 CCCCCCCCSCC TS13580 [1,0,0,0,0,0|0,1,1]=3 83 B10R0.71 CCCCCNCCCCC TS41815 [1,0,0,0,0,0|2,0,1]=4 84 B10R0.71 CCCCCSCCCCC TS13578 [1,0,0,0,0,0|2,0,1]=4 85 B10R0.71 CCOCCNCCOCC TS42342 [1,0,0,0,0,0|2,0,1]=4 86 B10R0.71 CCOCCOCCOC=C TS11280 [1,0,0,0,0,0|2,0,1]=4 87 B10R0.71 CCOCCOCCOCC TS11580 [1,0,0,0,0,0|2,0,1]=4 88 B12R0.4 CCCCCCCC(=O)OC(C)C TS15683 [0,1,0,0,0,0|1,0,2]=4 89 B12R0.4 CCCCCCCC(C)CC(=O)O TS15679 [0,1,0,0,0,0|2,0,0]=3 90 B12R0.4 CCCCCCCC(C)OC(=O)C TS48951 [0,1,0,0,0,0|0,0,0]=1 91 B12R0.4 CCCCCCCC(CC(=O)O)O TS50773 [0,1,0,0,0,0|2,0,0]=3 92 B12R0.4 CCCCCCOC(=O)CC(=O)C TS15650 [0,1,0,0,0,0|2,0,1]=4 93 B12R0.119 CCCCCCCCCN(=O)(C)C TS15856 [0,1,0,0,0,0|2,0,0]=3 94 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] TS53034 [0,1,0,0,0,0|3,0,0]=4 95 B12R0.119 CCCCCCCCC[N+](C)(C)C TS73498 [0,1,0,0,0,0|3,0,0]=4 96 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] TS53329 [0,1,0,0,0,0|2,0,0]=3 97 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] TS78935 [0,1,0,0,0,0|2,0,0]=3 98 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] TS85416 [0,1,0,0,0,0|2,0,0]=3 99 B12R0.184 CC(=O)OCCCCCC(=O)OC TS50721 [0,1,0,0,0,0|1,0,1]=3 100 B12R0.233 CCCCCC(C)CCCC(C)C TS15359 [0,1,0,0,0,0|2,0,1]=4 101 B12R0.233 CCOCCC(C)CCC=C(C)C TS48638 [0,1,0,0,0,0|3,0,0]=4 102 B12R0.234 C#CCCCCCCCCC(=O)O TS15017 [0,1,0,0,0,0|2,0,1]=4 103 B12R0.234 C(CCCC=CC(=O)O)CCCO TS15648 [0,1,0,0,0,0|2,0,1]=4 104 B12R0.234 C(CCCCC(=O)O)CCCCBr TS28167 [0,1,0,0,0,0|2,0,0]=3 105 B12R0.234 C(CCCCC(=O)O)CCCCO TS50772 [0,1,0,0,0,0|2,0,0]=3 106 B12R0.234 C=CCCCCCCCCC(=O)Cl TS19498 [0,1,0,0,0,0|2,0,1]=4 107 B12R0.234 C=CCCCCCCCCC(=O)O TS34607 [0,1,0,0,0,0|2,0,1]=4 108 B12R0.234 C=CCCCCCCCCC(=O)[O-] TS81307 [0,1,0,0,0,0|2,0,1]=4 109 B12R0.234 C=CCCCCCCCCC(=O)[O-] TS81977 [0,1,0,0,0,0|2,0,1]=4 110 B12R0.234 CC#CCCCCCCCC(=O)O TS48314 [0,1,0,0,0,0|2,0,1]=4 111 B12R0.234 CC(=O)NCCCNCCCCN TS29518 [0,1,0,0,0,0|2,0,0]=3 112 B12R0.234 CC(=O)OCCCCCCCC=C TS48611 [0,1,0,0,0,0|0,0,1]=2 113 B12R0.234 CCC=CCC=CCCOC(=O)C TS48318 [0,1,0,0,0,0|0,0,3]=4 114 B12R0.234 CCC=CCCC=CCOC(=O)C TS48319 [0,1,0,0,0,0|0,0,3]=4 115 B12R0.234 CCC=CCCCCCOC(=O)C TS48612 [0,1,0,0,0,0|0,0,1]=2 116 B12R0.234 CCCCCCC=CCOC(=O)C TS15324 [0,1,0,0,0,0|0,0,1]=2 117 B12R0.234 CCCCCCCCC=CC(=O)O TS48605 [0,1,0,0,0,0|2,0,0]=3 118 B12R0.234 CCCCCCCCCCC(=C)C TS15042 [0,1,0,0,0,0|2,0,0]=3 119 B12R0.234 CCCCCCCCCCC(=O)C TS48629 [0,1,0,0,0,0|1,0,0]=2 120 B12R0.234 CCCCCCCCCCC(=O)Cl TS38726 [0,1,0,0,0,0|2,0,0]=3 121 B12R0.234 CCCCCCCCCCC(=O)O TS15677 [0,1,0,0,0,0|2,0,0]=3 122 B12R0.234 CCCCCCCCCCC(C)Br TS62703 [0,1,0,0,0,0|2,0,1]=4 123 B12R0.234 CCCCCCCCCCC(C)C TS15358 [0,1,0,0,0,0|2,0,1]=4 124 B12R0.234 CCCCCCCCCCC(C)O TS15701 [0,1,0,0,0,0|1,0,2]=4 125 B12R0.234 CCCCCCCCCCN(C)C TS48781 [0,1,0,0,0,0|3,0,0]=4 126 B12R0.234 CCCCCCCCCCS(=O)C TS38695 [0,1,0,0,0,0|2,0,0]=3 127 B12R0.234 CCCCCCCCCC[Si](C)C TS19096 [0,1,0,0,0,0|2,1,0]=4 128 B12R0.234 CCCCCCCCCOC(=O)C TS48960 [0,1,0,0,0,0|0,0,0]=1 129 B12R0.234 CCCCCCCCCOC(=O)Cl TS20294 [0,1,0,0,0,0|1,0,0]=2 130 B12R0.248 CCCCC=CCCOC(=O)CC TS48616 [0,1,0,0,0,0|0,0,2]=3 131 B12R0.248 CCCCCCCC=CC(=O)OC TS48606 [0,1,0,0,0,0|1,0,1]=3 132 B12R0.248 CCCCCCCCCC(=O)CC TS15346 [0,1,0,0,0,0|1,0,0]=2 133 B12R0.248 CCCCCCCCCC(=O)OC TS48954 [0,1,0,0,0,0|1,0,0]=2 134 B12R0.248 CCCCCCCCCC(C)C=O TS48631 [0,1,0,0,0,0|1,0,1]=3 135 B12R0.248 CCCCCCCCCC(C)CO TS15702 [0,1,0,0,0,0|1,0,2]=4 136 B12R0.248 CCCCCCCCCC(CC)O TS48965 [0,1,0,0,0,0|1,0,2]=4 137 B12R0.248 CCCCCCCCCC(CCl)Cl TS23981 [0,1,0,0,0,0|2,0,1]=4 138 B12R0.248 CCCCCCCCNC(=S)NN TS19635 [0,1,0,0,0,0|2,1,0]=4 139 B12R0.248 CCCCCCCCOC(=O)C=C TS48619 [0,1,0,0,0,0|0,0,1]=2 140 B12R0.248 CCCCCCCCOC(=O)CBr TS28166 [0,1,0,0,0,0|0,0,0]=1 141 B12R0.248 CCCCCCCCOC(=O)CN TS23756 [0,1,0,0,0,0|0,0,0]=1 142 B12R0.248 CCOCCOCCOC(=O)C=C TS15965 [0,1,0,0,0,0|2,0,1]=4 143 B12R0.248 COC(=O)CCCCCCCCO TS50771 [0,1,0,0,0,0|2,0,0]=3 144 B12R0.251 CCCCCCCCC(=C(F)F)F TS17908 [0,1,0,0,0,0|3,0,0]=4 145 B12R0.251 CCCCCCCCC(C(=O)O)Br TS28165 [0,1,0,0,0,0|2,0,0]=3 146 B12R0.251 CCCCCCCCC(C(=O)O)N TS15845 [0,1,0,0,0,0|2,0,0]=3 147 B12R0.251 CCCCCCCCC(C)C(=O)O TS15682 [0,1,0,0,0,0|2,0,0]=3 148 B12R0.251 CCCCCCCC[C@@H](C(=O)O)N TS15840 [0,1,0,0,0,0|2,0,0]=3 149 B12R0.251 CCCCCCCC[C@H](C(=O)O)N TS15833 [0,1,0,0,0,0|2,0,0]=3 150 B12R0.251 CCCCCCCOC(=O)C(=C)C TS15319 [0,1,0,0,0,0|3,0,0]=4 151 B12R0.268 CC(=O)OCCCCCOC(=O)C TS50724 [0,1,0,0,0,0|1,0,1]=3 152 B12R1.7 CCCCCCC1CCC(=O)O1 TS12849 [0,0,0,1,0,0|2,0,0]=3 153 B12R1.28 CCCCCC1CCCC(=O)O1 TS12854 [0,0,0,1,0,0|2,0,0]=3 154 B12R1.215 C1CCCCCC(=O)CCCC1 TS44920 [0,0,0,1,0,0|1,0,0]=2 155 B12R1.252 C1CCC(CC1)CCCC(=O)O TS45167 [0,0,0,1,0,0|2,0,0]=3 156 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS13838 [0,0,0,1,0,0|2,0,0]=3 157 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS17479 [0,0,0,1,0,0|2,0,0]=3 158 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS33883 [0,0,0,1,0,0|2,0,0]=3 159 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS43539 [0,0,0,1,0,0|2,0,0]=3 160 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS66513 [0,0,0,1,0,0|2,0,0]=3 161 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS81207 [0,0,0,1,0,0|2,0,0]=3 162 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS82408 [0,0,0,1,0,0|2,0,0]=3 163 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS83716 [0,0,0,1,0,0|2,0,0]=3 164 B12R1.252 C1CCC(CC1)NCCC(=O)O TS45330 [0,0,0,1,0,0|3,0,0]=4 165 B12R1.252 C1CNCCC1CCCC(=O)O TS20456 [0,0,0,1,0,0|3,0,0]=4 166 B12R1.283 CCCN1CCCCC1C(=O)O TS45337 [0,0,0,1,0,0|3,0,0]=4 167 B12R1.321 CCCCC1CCCCC(=O)O1 TS12856 [0,0,0,1,0,0|2,0,0]=3 168 B12R1.1335 C1CCCC([BrH]CCC1)C(=O)O TS26014 [0,0,0,1,0,0|3,0,0]=4 169 B9R0.2 C(CCCBr)CCC(=O)Cl TS24416 [2,0,0,0,0,0|2,0,0]=4 170 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [2,0,0,0,0,0|2,0,0]=4 171 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [2,0,0,0,0,0|2,0,0]=4 172 B9R0.2 C(CCCN)CCC(=O)O TS48161 [2,0,0,0,0,0|2,0,0]=4 173 B9R0.2 C(CCCN)CCC(=O)O TS59742 [2,0,0,0,0,0|2,0,0]=4 174 B9R0.2 C(CCCO)CCC(=O)O TS55677 [2,0,0,0,0,0|2,0,0]=4 175 B9R0.2 CC(=O)OCCCCC=C TS06720 [2,0,0,0,0,0|0,0,2]=4 176 B9R0.2 CC(=O)OCCCCCBr TS20687 [2,0,0,0,0,0|1,0,0]=3 177 B9R0.2 CC(=O)OCCCCCCl TS11956 [2,0,0,0,0,0|1,0,0]=3 178 B9R0.2 CCC=CCCOC(=O)C TS37598 [2,0,0,0,0,0|0,0,2]=4 179 B9R0.2 CCCC=CCOC(=O)C TS37605 [2,0,0,0,0,0|0,0,2]=4 180 B9R0.2 CCCCCCCC(=C)C TS06520 [2,0,0,0,0,0|1,0,0]=3 181 B9R0.2 CCCCCCCC(=O)C TS06758 [2,0,0,0,0,0|0,0,0]=2 182 B9R0.2 CCCCCCCC(=O)Cl TS11637 [2,0,0,0,0,0|1,0,0]=3 183 B9R0.2 CCCCCCCC(=O)N TS40110 [2,0,0,0,0,0|1,0,0]=3 184 B9R0.2 CCCCCCCC(=O)O TS40219 [2,0,0,0,0,0|1,0,0]=3 185 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [2,0,0,0,0,0|1,0,0]=3 186 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [2,0,0,0,0,0|1,0,0]=3 187 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [2,0,0,0,0,0|1,0,0]=3 188 B9R0.2 CCCCCCCC(C)Br TS39158 [2,0,0,0,0,0|1,0,1]=4 189 B9R0.2 CCCCCCCC(C)C TS37672 [2,0,0,0,0,0|1,0,1]=4 190 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [2,0,0,0,0,0|1,0,1]=4 191 B9R0.2 CCCCCCC[C@H](C)N TS06890 [2,0,0,0,0,0|1,0,1]=4 192 B9R0.2 CCCCCCOC(=O)C TS40201 [2,0,0,0,0,0|0,0,0]=2 193 B9R0.2 CCCCCCOC(=O)Cl TS11953 [2,0,0,0,0,0|1,0,0]=3 194 B9R0.2 CCCCCCOC(=S)[S-] TS49163 [2,0,0,0,0,0|1,1,0]=4 195 B9R0.2 CCCCNCCC(=O)N TS07002 [2,0,0,0,0,0|2,0,0]=4 196 B9R0.2 CCCCNCCC(=O)O TS40320 [2,0,0,0,0,0|2,0,0]=4 197 B9R0.45 C=CCCCCCCCO TS37642 [2,0,0,0,0,0|1,0,1]=4 198 B9R0.45 CCC=CCCCCC=O TS06506 [2,0,0,0,0,0|0,0,2]=4 199 B9R0.45 CCCCCCC=CC=O TS37409 [2,0,0,0,0,0|0,0,2]=4 200 B9R0.45 CCCCCCCC#CC TS06312 [2,0,0,0,0,0|0,0,2]=4 201 B9R0.45 CCCCCCCCC#C TS06311 [2,0,0,0,0,0|0,0,2]=4 202 B9R0.45 CCCCCCCCC=C TS06521 [2,0,0,0,0,0|0,0,1]=3 203 B9R0.45 CCCCCCCCC=O TS06760 [2,0,0,0,0,0|0,0,0]=2 204 B9R0.45 CCCCCCCCCBr TS00421 [2,0,0,0,0,0|1,0,1]=4 205 B9R0.45 CCCCCCCCCC TS37669 [2,0,0,0,0,0|0,0,1]=3 206 B9R0.45 CCCCCCCCCF TS40465 [2,0,0,0,0,0|1,0,1]=4 207 B9R0.45 CCCCCCCCCN TS06895 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.45 CCCCCCCCCO TS07020 [2,0,0,0,0,0|0,0,2]=4 209 B9R0.45 CCCCCCCCCS TS11320 [2,0,0,0,0,0|0,1,1]=4 210 B9R0.45 CCCCCCCCNC TS06887 [2,0,0,0,0,0|1,0,0]=3 211 B9R0.45 CCCCCCCCSC TS11321 [2,0,0,0,0,0|0,1,0]=3 212 B9R0.45 CCCCCCCC[Mg]Br TS22286 [2,0,0,0,0,0|2,0,0]=4 213 B9R0.45 CCCCCCCN=C=O TS37514 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.45 CCCCCCCNCC TS06892 [2,0,0,0,0,0|1,0,1]=4 215 B9R0.45 CCCCCCOCC=C TS06762 [2,0,0,0,0,0|1,0,1]=4 216 B9R0.45 CCCCCNCCCC TS06893 [2,0,0,0,0,0|1,0,1]=4 217 B9R0.45 CCOCCCCOCC TS07247 [2,0,0,0,0,0|1,0,1]=4 218 B9R0.45 CCOCCOCCOC TS40642 [2,0,0,0,0,0|2,0,0]=4 219 B9R0.45 CNCCCCCCNC TS07026 [2,0,0,0,0,0|2,0,0]=4 220 B9R0.45 CSCCCCCCSC TS14288 [2,0,0,0,0,0|1,1,0]=4 221 B11R0.2 CCCCCCC(CC(=O)O)O TS45805 [1,1,0,0,0,0|1,0,0]=3 222 B11R0.2 CCCCCOC(=O)CC(=O)C TS13173 [1,1,0,0,0,0|1,0,1]=4 223 B11R0.30 CC(=O)OCCCCOC(=O)C TS45757 [1,1,0,0,0,0|1,0,1]=4 224 B11R0.30 CC(C)CCCCCCC(=O)O TS45506 [1,1,0,0,0,0|1,0,0]=3 225 B11R0.30 CC(C)CCCCCO[N+](=O)[O-] TS13703 [1,1,0,0,0,0|2,0,0]=4 226 B11R0.40 CCCCCC=CCC(=O)OC TS12844 [1,1,0,0,0,0|0,0,2]=4 227 B11R0.40 CCCCCCC#CC(=O)OC TS12565 [1,1,0,0,0,0|0,0,2]=4 228 B11R0.40 CCCCCCC=CC(=O)OC TS45171 [1,1,0,0,0,0|0,0,2]=4 229 B11R0.40 CCCCCCCCC(=O)CC TS12886 [1,1,0,0,0,0|0,0,0]=2 230 B11R0.40 CCCCCCCCC(=O)OC TS45510 [1,1,0,0,0,0|0,0,0]=2 231 B11R0.40 CCCCCCCCC(C)CBr TS56641 [1,1,0,0,0,0|1,0,1]=4 232 B11R0.40 CCCCCCCCC(CBr)Br TS58941 [1,1,0,0,0,0|1,0,1]=4 233 B11R0.40 CCCCCCCCC(CC)O TS45539 [1,1,0,0,0,0|0,0,2]=4 234 B11R0.40 CCCCCCCCC(CCl)Cl TS21103 [1,1,0,0,0,0|1,0,1]=4 235 B11R0.40 CCCCCCCCC(CO)O TS45836 [1,1,0,0,0,0|0,0,2]=4 236 B11R0.40 CCCCCCCC[C@@H](CO)O TS45841 [1,1,0,0,0,0|0,0,2]=4 237 B11R0.40 CCCCCCCC[C@H](CO)O TS45840 [1,1,0,0,0,0|0,0,2]=4 238 B11R0.40 CCCCOCCOC(=O)C=C TS13179 [1,1,0,0,0,0|1,0,1]=4 239 B11R0.42 CCCCCCCC(C(=O)O)N TS13378 [1,1,0,0,0,0|1,0,0]=3 240 B11R0.42 CCCCCCCC(C(=O)O)O TS45806 [1,1,0,0,0,0|1,0,0]=3 241 B11R0.42 CCCCCCCC(C(C)C)O TS45538 [1,1,0,0,0,0|1,0,1]=4 242 B11R0.42 CCCCCCCC(C)C(=O)O TS45498 [1,1,0,0,0,0|1,0,0]=3 243 B11R0.42 CCCCCCCC(C)C(C)C TS45212 [1,1,0,0,0,0|1,0,1]=4 244 B11R0.42 CCCCCCC[C@@H](C(=O)O)N TS13377 [1,1,0,0,0,0|1,0,0]=3 245 B11R0.42 CCCCCCC[C@H](C(=O)O)N TS13376 [1,1,0,0,0,0|1,0,0]=3 246 B11R0.42 CCCCSCCC(C(=O)O)N TS51353 [1,1,0,0,0,0|2,0,0]=4 247 B11R0.46 CCCCCC(C)CCC(=O)O TS13225 [1,1,0,0,0,0|1,0,0]=3 248 B11R0.46 CCCCCN(C)CCC(=O)O TS20826 [1,1,0,0,0,0|2,0,0]=4 249 B11R0.46 CCCCOC(=O)CCC(=O)C TS13190 [1,1,0,0,0,0|1,0,1]=4 250 B11R0.147 CCCCC(C)CCCC(C)C TS45213 [1,1,0,0,0,0|1,0,1]=4 251 B11R0.159 CCCCCCCCP(=O)(Cl)Cl TS25025 [1,1,0,0,0,0|2,0,0]=4 252 B11R0.159 CCCCCCCCP(=O)(O)O TS17833 [1,1,0,0,0,0|2,0,0]=4 253 B11R0.159 CCCCCCCCS(=O)(=O)Cl TS44278 [1,1,0,0,0,0|2,0,0]=4 254 B11R0.159 CCCCCCCCS(=O)(=O)O TS17934 [1,1,0,0,0,0|2,0,0]=4 255 B11R0.159 CCCCCCCCS(=O)(=O)[O-] TS22083 [1,1,0,0,0,0|2,0,0]=4 256 B11R0.159 CCCCCCCC[N+](C)(C)C TS20461 [1,1,0,0,0,0|2,0,0]=4 257 B11R0.159 CCCCCCCC[Si](C)(C)Cl TS20302 [1,1,0,0,0,0|1,1,0]=4 258 B11R0.159 CCCCCCCC[Si](C)(Cl)Cl TS24353 [1,1,0,0,0,0|1,1,0]=4 259 B11R0.176 C(CCC(=O)O)CC(CCS)S TS20641 [1,1,0,0,0,0|2,0,0]=4 260 B11R0.176 CCOC(=O)CCCOC(=O)C TS45771 [1,1,0,0,0,0|1,0,1]=4 261 B11R0.3 C=CCCCCCCCCC=O TS44919 [1,1,0,0,0,0|1,0,1]=4 262 B11R0.3 C=CCCCCCCCCCBr TS25359 [1,1,0,0,0,0|1,0,1]=4 263 B11R0.3 C=CCCCCCCCCCCl TS16102 [1,1,0,0,0,0|1,0,1]=4 264 B11R0.3 C=CCCCCCCCCCN TS45037 [1,1,0,0,0,0|1,0,1]=4 265 B11R0.3 C=CCCCCCCCCCO TS12885 [1,1,0,0,0,0|1,0,1]=4 266 B11R0.3 CCC=CCCCCCCC=O TS44926 [1,1,0,0,0,0|1,0,1]=4 267 B11R0.3 CCCCCCCCC=CC=O TS44921 [1,1,0,0,0,0|1,0,0]=3 268 B11R0.3 CCCCCCCCC=CCO TS12884 [1,1,0,0,0,0|1,0,0]=3 269 B11R0.3 CCCCCCCCCCC=C TS12600 [1,1,0,0,0,0|1,0,1]=4 270 B11R0.3 CCCCCCCCCCC=O TS12882 [1,1,0,0,0,0|1,0,0]=3 271 B11R0.3 CCCCCCCCCCCC TS45211 [1,1,0,0,0,0|1,0,1]=4 272 B11R0.3 CCCCCCCCCCCCl TS51219 [1,1,0,0,0,0|1,0,1]=4 273 B11R0.3 CCCCCCCCCCCF TS13565 [1,1,0,0,0,0|1,0,1]=4 274 B11R0.3 CCCCCCCCCCCN TS45371 [1,1,0,0,0,0|1,0,1]=4 275 B11R0.3 CCCCCCCCCCCO TS45537 [1,1,0,0,0,0|1,0,1]=4 276 B11R0.3 CCCCCCCCCCCS TS50816 [1,1,0,0,0,0|1,0,1]=4 277 B11R0.3 CCCCCCCCCCNC TS45367 [1,1,0,0,0,0|1,0,1]=4 278 B11R0.3 CCCCCCCCCCOC TS45542 [1,1,0,0,0,0|1,0,1]=4 279 B11R0.3 CCCCCCCCCOC=O TS13219 [1,1,0,0,0,0|0,0,0]=2 280 B11R0.3 CCCCCCCCNCCN TS13245 [1,1,0,0,0,0|1,0,1]=4 281 B11R0.3 CCCCCCCCOCC=C TS45199 [1,1,0,0,0,0|0,0,1]=3 282 B11R0.3 CCCCCCCCOCC=O TS45516 [1,1,0,0,0,0|0,0,0]=2 283 B11R0.3 CCCCCCCCOCCO TS45839 [1,1,0,0,0,0|0,0,1]=3 284 B11R0.3 CCCCCCCCSCCCl TS43568 [1,1,0,0,0,0|0,1,1]=4 285 B11R0.3 CCCCCCCCSCCO TS51196 [1,1,0,0,0,0|0,1,1]=4 286 B11R0.3 CCCCCOCCOCCO TS46149 [1,1,0,0,0,0|1,0,1]=4 287 B11R0.3 CCNCCCCCCNCC TS45547 [1,1,0,0,0,0|1,0,1]=4 288 B11R0.4 CCCCCCCC(=O)OCC TS45501 [1,1,0,0,0,0|0,0,2]=4 289 B11R0.4 CCCCCCCC(CCC)O TS45536 [1,1,0,0,0,0|1,0,1]=4 290 B11R0.81 CCCCCCC(CCCC)O TS45543 [1,1,0,0,0,0|1,0,1]=4 291 B11R0.140 CCCCCC(CCCCC)N TS45370 [1,1,0,0,0,0|1,0,1]=4 292 B11R0.140 CCCCCC(CCCCC)O TS45541 [1,1,0,0,0,0|1,0,1]=4 293 B13R0.274 CCCCCCCC(CC(=O)OC)O TS19446 [0,2,0,0,0,0|1,0,0]=3 294 B13R0.335 CCCCCCCCC(C)CC(=O)O TS37966 [0,2,0,0,0,0|2,0,0]=4 295 B13R0.335 CCCCCCCCC(CC(=O)O)O TS19441 [0,2,0,0,0,0|2,0,0]=4 296 B13R0.335 CCCCCCCOC(=O)CC(=O)C TS37949 [0,2,0,0,0,0|1,0,1]=4 297 B13R0.280 CCCCCCCCCCN(=O)(C)C TS19265 [0,2,0,0,0,0|2,0,0]=4 298 B13R0.280 CCCCCCCCCCP(=O)(C)C TS49478 [0,2,0,0,0,0|2,0,0]=4 299 B13R0.280 CCCCCCCCCOS(=O)(=O)O TS23892 [0,2,0,0,0,0|2,0,0]=4 300 B13R0.280 CCCCCCCCCOS(=O)(=O)[O-] TS62314 [0,2,0,0,0,0|2,0,0]=4 301 B13R0.88 CCOC(=O)CCCCCOC(=O)C TS38266 [0,2,0,0,0,0|0,0,1]=3 302 B13R0.1398 CC(C)CCCC(C)CCOC(=O)C TS37970 [0,2,0,0,0,0|0,0,0]=2 303 B13R0.1398 CC(CCC=C(C)C)CCOC(=O)C TS54068 [0,2,0,0,0,0|0,0,2]=4 304 B13R0.1398 CC(CCCC(=C)C)CCOC(=O)C TS18676 [0,2,0,0,0,0|0,0,1]=3 305 B13R0.54 C(CCCCCBr)CCCCC(=O)O TS68927 [0,2,0,0,0,0|2,0,0]=4 306 B13R0.54 C(CCCCCN)CCCCC(=O)O TS19255 [0,2,0,0,0,0|2,0,0]=4 307 B13R0.54 C(CCCCCO)CCCCC(=O)O TS19440 [0,2,0,0,0,0|2,0,0]=4 308 B13R0.54 C(CCCCCS)CCCCC(=O)O TS22494 [0,2,0,0,0,0|2,0,0]=4 309 B13R0.54 C=CCCCCCCCCCC(=O)O TS18691 [0,2,0,0,0,0|2,0,0]=4 310 B13R0.54 CC(=O)OCCCCCCCCC=C TS54067 [0,2,0,0,0,0|0,0,0]=2 311 B13R0.54 CC(=O)OCCOCCOCCOC TS38989 [0,2,0,0,0,0|1,0,0]=3 312 B13R0.54 CCC=CCCCCCCOC(=O)C TS54074 [0,2,0,0,0,0|0,0,0]=2 313 B13R0.54 CCCCC=CCCCCOC(=O)C TS54073 [0,2,0,0,0,0|0,0,0]=2 314 B13R0.54 CCCCC=CCCCCOC(=O)C TS54081 [0,2,0,0,0,0|0,0,0]=2 315 B13R0.54 CCCCCCC=CCCCC(=O)O TS18694 [0,2,0,0,0,0|2,0,0]=4 316 B13R0.54 CCCCCCC=CCCOC(=O)C TS54078 [0,2,0,0,0,0|0,0,0]=2 317 B13R0.54 CCCCCCCC=CCOC(=O)C TS54089 [0,2,0,0,0,0|0,0,0]=2 318 B13R0.54 CCCCCCCCCC=CC(=O)O TS54086 [0,2,0,0,0,0|2,0,0]=4 319 B13R0.54 CCCCCCCCCCCC(=C)C TS18337 [0,2,0,0,0,0|2,0,0]=4 320 B13R0.54 CCCCCCCCCCCC(=O)C TS18716 [0,2,0,0,0,0|1,0,0]=3 321 B13R0.54 CCCCCCCCCCCC(=O)Cl TS49534 [0,2,0,0,0,0|2,0,0]=4 322 B13R0.54 CCCCCCCCCCCC(=O)N TS37777 [0,2,0,0,0,0|2,0,0]=4 323 B13R0.54 CCCCCCCCCCCC(=O)O TS19259 [0,2,0,0,0,0|2,0,0]=4 324 B13R0.54 CCCCCCCCCCCC(=O)O TS37977 [0,2,0,0,0,0|2,0,0]=4 325 B13R0.54 CCCCCCCCCCCC(=O)O TS68181 [0,2,0,0,0,0|2,0,0]=4 326 B13R0.54 CCCCCCCCCCCC(=O)O TS75367 [0,2,0,0,0,0|2,0,0]=4 327 B13R0.54 CCCCCCCCCCCC(=O)O TS93845 [0,2,0,0,0,0|2,0,0]=4 328 B13R0.54 CCCCCCCCCCCC(=O)O TS94033 [0,2,0,0,0,0|2,0,0]=4 329 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS23524 [0,2,0,0,0,0|2,0,0]=4 330 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS57143 [0,2,0,0,0,0|2,0,0]=4 331 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS69918 [0,2,0,0,0,0|2,0,0]=4 332 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS70296 [0,2,0,0,0,0|2,0,0]=4 333 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS73169 [0,2,0,0,0,0|2,0,0]=4 334 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS75123 [0,2,0,0,0,0|2,0,0]=4 335 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS82656 [0,2,0,0,0,0|2,0,0]=4 336 B13R0.54 CCCCCCCCCCOC(=O)Cl TS49889 [0,2,0,0,0,0|1,0,0]=3 337 B13R0.54 CCCCOCCOCCOC(=O)C TS38629 [0,2,0,0,0,0|0,0,0]=2 338 B13R0.147 CCCCCCCCC#CC(=O)OC TS18307 [0,2,0,0,0,0|1,0,0]=3 339 B13R0.147 CCCCCCCCCCC(=O)OC TS37967 [0,2,0,0,0,0|1,0,0]=3 340 B13R0.147 CCCCCCOCCOC(=O)C=C TS37947 [0,2,0,0,0,0|0,0,1]=3 341 B13R0.147 COC(=O)CCCCCCCCC#C TS53724 [0,2,0,0,0,0|1,0,1]=4 342 B13R0.147 COC(=O)CCCCCCCCC=C TS18692 [0,2,0,0,0,0|1,0,1]=4 343 B13R0.147 COC(=O)CCCCCCCCC=C TS54093 [0,2,0,0,0,0|1,0,1]=4 344 B13R0.147 COC(=O)CCCCCCCCCBr TS68925 [0,2,0,0,0,0|1,0,0]=3 345 B13R0.147 COC(=O)CCCCCCCCCO TS19445 [0,2,0,0,0,0|1,0,0]=3 346 B13R0.150 CCCCCCCCCC(=O)N(C)C TS37778 [0,2,0,0,0,0|1,0,0]=3 347 B13R0.150 CCCCCCCCCC(C(=O)O)Br TS68926 [0,2,0,0,0,0|2,0,0]=4 348 B13R0.150 CCCCCCCCCC(C(=O)O)O TS19443 [0,2,0,0,0,0|2,0,0]=4 349 B13R0.150 CCCCCCCCCC(C)C(=O)O TS37976 [0,2,0,0,0,0|1,0,1]=4 350 B13R0.150 CCOCCOCCOC(=O)C(=C)C TS38267 [0,2,0,0,0,0|2,0,0]=4 351 B13R0.179 CC(=O)NCCCCCCNC(=O)C TS19046 [0,2,0,0,0,0|1,0,1]=4 352 B13R0.179 CC(=O)OCCCCCCOC(=O)C TS38286 [0,2,0,0,0,0|0,0,1]=3 353 B13R0.179 CC(C)CCCCCCCCC(=O)O TS19069 [0,2,0,0,0,0|2,0,0]=4 354 B13R0.179 CC(C)CCCCCCCOC(=O)C TS37971 [0,2,0,0,0,0|0,0,0]=2 355 B13R0.202 CCC(C)CCCCCCCC(=O)O TS37972 [0,2,0,0,0,0|2,0,0]=4 356 B13R0.2 CCCCCC=CCOC(=O)CCC TS54083 [0,2,0,0,0,0|0,0,2]=4 357 B13R0.2 CCCCCCCC=CC(=O)OCC TS54088 [0,2,0,0,0,0|1,0,1]=4 358 B13R0.2 CCCCCCCCCC(=O)CCC TS54094 [0,2,0,0,0,0|1,0,0]=3 359 B13R0.2 CCCCCCCCCC(=O)OC=C TS54076 [0,2,0,0,0,0|1,0,1]=4 360 B13R0.2 CCCCCCCCCC(=O)OCC TS19068 [0,2,0,0,0,0|1,0,0]=3 361 B13R0.2 CCCCCCCCOC(=O)CC#N TS53876 [0,2,0,0,0,0|0,0,0]=2 362 B13R0.2 CCCCCCCCOC(=O)CCS TS49497 [0,2,0,0,0,0|0,0,0]=2 363 B13R0.2 CCOC(=O)CCCCCCCCBr TS68924 [0,2,0,0,0,0|2,0,0]=4 364 B13R0.340 CCCCCCCCC(C(=O)OC)O TS19442 [0,2,0,0,0,0|1,0,0]=3 365 B13R0.61 CCCCCCCCC(CC)C(=O)O TS37957 [0,2,0,0,0,0|2,0,0]=4 366 B13R0.413 CCCCCCCCC(C)(C)C(=O)O TS37958 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.24 CCCCC1CCCC(=O)O1 TS10721 [1,0,0,1,0,0|1,0,0]=3 368 B11R1.53 C1CC[C@@H]([C@H](C1)CO)C(=O)N TS10861 [1,0,0,1,0,0|2,0,0]=4 369 B11R1.53 CCN1CCCCC1C(=O)O TS00438 [1,0,0,1,0,0|2,0,0]=4 370 B11R1.53 CCN1CCCCC1C(=O)O TS10863 [1,0,0,1,0,0|2,0,0]=4 371 B11R1.78 CCCCCCC1CC(=O)O1 TS41639 [1,0,0,1,0,0|0,0,0]=2 372 B11R1.86 CC1CCCCC1OC(=O)C TS41647 [1,0,0,1,0,0|0,0,0]=2 373 B11R1.91 C1CCN(CC1)CCC(=O)N TS10729 [1,0,0,1,0,0|2,0,0]=4 374 B11R1.91 C1CCN(CC1)CCC(=O)O TS10871 [1,0,0,1,0,0|2,0,0]=4 375 B11R1.91 C1CCNC(C1)CCC(=O)O TS02885 [1,0,0,1,0,0|2,0,0]=4 376 B11R1.91 C1CNCCC1CCC(=O)O TS00525 [1,0,0,1,0,0|2,0,0]=4 377 B11R1.99 CCCCCCCCC1CO1 TS10750 [1,0,0,1,0,0|0,0,2]=4 378 B11R1.99 CCCCCCCC[C@@H]1CO1 TS41692 [1,0,0,1,0,0|0,0,2]=4 379 B11R1.101 C1CCCCC(=O)CCCC1 TS59759 [1,0,0,1,0,0|0,0,0]=2 380 B11R1.101 C1CCCCC(CCCC1)O TS10745 [1,0,0,1,0,0|0,0,2]=4 381 B11R1.172 C1CCN(C1)CCCC(=O)O TS10866 [1,0,0,1,0,0|2,0,0]=4 382 B11R1.706 CC(=C1CCCCCCC1)C TS41203 [1,0,0,1,0,0|1,0,1]=4 383 B11R1.28 CCCCCC1CCCCC1 TS10509 [1,0,0,1,0,0|1,0,1]=4 384 B11R1.180 CCCCCC1CCCC1=O TS41436 [1,0,0,1,0,0|1,0,0]=3 385 B11R1.180 CCCCCN1CCCC1=O TS10609 [1,0,0,1,0,0|2,0,0]=4 386 B13R1.27 CCCCCCCC1CCC(=O)O1 TS15334 [0,1,0,1,0,0|0,0,0]=2 387 B13R1.55 CCCCCC1CC(=O)CC(=O)C1 TS15013 [0,1,0,1,0,0|1,0,1]=4 388 B13R1.5437 CCCCCCCC1(CC(=O)O1)C TS48602 [0,1,0,1,0,0|0,0,0]=2 389 B13R1.337 C1CCC(CC1)CCCCC(=O)O TS48613 [0,1,0,1,0,0|2,0,0]=4 390 B13R1.3441 CCCCCCC1COC(O1)(C)C TS48961 [0,1,0,1,0,0|0,0,2]=4 391 B13R1.1988 C1CCCN(CC1)CCCC(=O)O TS48762 [0,1,0,1,0,0|2,0,0]=4 392 B13R1.6 CCCCCCC1CCCC(=O)O1 TS48608 [0,1,0,1,0,0|2,0,0]=4 393 B13R1.279 C1CCCCCC(=O)CCCCC1 TS48333 [0,1,0,1,0,0|1,0,0]=3 394 B13R1.279 C1CCCCCOC(=O)CCCC1 TS15332 [0,1,0,1,0,0|0,0,0]=2 395 B13R1.279 C=C1CCCCCCCCCCC1 TS47981 [0,1,0,1,0,0|2,0,0]=4 396 B13R1.572 CCCCN1CCCCC1C(=O)O TS15476 [0,1,0,1,0,0|2,0,0]=4 397 B13R1.164 CC1CCC(C(C1)C)COC(=O)C TS15336 [0,1,0,1,0,0|0,0,0]=2 398 B13R2.13 C1CCC(C1)N2CCCC(=O)C2 TS00430 [0,0,0,2,0,0|2,0,0]=4 399 B13R2.11128 C1CC2(CCOC(=O)N2)CNC1 TS92610 [0,0,0,2,0,0|2,0,0]=4 400 B13R2.11128 C1CNCCC12CCOC(=O)N2 TS92029 [0,0,0,2,0,0|2,0,0]=4 401 B13R2.1287 CC(=O)OC1[C@H]2CCN(C1)CC2 TS20063 [0,0,0,2,0,0|1,0,0]=3 402 B13R2.1287 CC(=O)OC1[C@H]2CCN(C1)CC2 TS45023 [0,0,0,2,0,0|1,0,0]=3