0 B9R0.2 B(C=CCCCCC)(O)O TS06634 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.2 C(CCCBr)CCC(=O)Cl TS24416 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.2 C(CCCN)CCC(=O)O TS48161 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.2 C(CCCN)CCC(=O)O TS59742 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.2 C(CCCO)CCC(=O)O TS55677 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.2 C(CCN=O)CNC(=O)N TS07094 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.2 CC(=O)OCCCCC=C TS06720 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 CC(=O)OCCCCCBr TS20687 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.2 CC(=O)OCCCCCCl TS11956 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.2 CC(C)CCCCCCBr TS39155 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.2 CC(C)CCCCCCN TS06894 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.2 CCC=CCCOC(=O)C TS37598 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.2 CCCC=CCOC(=O)C TS37605 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.2 CCCCC=CCC(=O)O TS37609 [0,0,0,0,0,0|0,0,2]=2 16 B9R0.2 CCCCCC#CC(=O)O TS37382 [0,0,0,0,0,0|0,0,2]=2 17 B9R0.2 CCCCCC=CC(=O)O TS06694 [0,0,0,0,0,0|0,0,2]=2 18 B9R0.2 CCCCCCCC(=C)C TS06520 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.2 CCCCCCCC(=O)C TS06758 [0,0,0,0,0,0|1,0,0]=1 20 B9R0.2 CCCCCCCC(=O)Cl TS11637 [0,0,0,0,0,0|1,0,0]=1 21 B9R0.2 CCCCCCCC(=O)N TS40110 [0,0,0,0,0,0|1,0,0]=1 22 B9R0.2 CCCCCCCC(=O)O TS40219 [0,0,0,0,0,0|0,0,0]=0 23 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [0,0,0,0,0,0|0,0,1]=1 24 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [0,0,0,0,0,0|0,0,1]=1 25 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [0,0,0,0,0,0|0,0,1]=1 26 B9R0.2 CCCCCCCC(C)Br TS39158 [0,0,0,0,0,0|2,0,1]=3 27 B9R0.2 CCCCCCCC(C)C TS37672 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [0,0,0,0,0,0|2,0,1]=3 29 B9R0.2 CCCCCCC[C@H](C)N TS06890 [0,0,0,0,0,0|2,0,1]=3 30 B9R0.2 CCCCCCNC(=S)N TS11310 [0,0,0,0,0,0|2,1,0]=3 31 B9R0.2 CCCCCCOC(=O)C TS40201 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.2 CCCCCCOC(=O)Cl TS11953 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.2 CCCCCCOC(=S)[S-] TS49163 [0,0,0,0,0,0|1,2,0]=3 34 B9R0.2 CCCCNCCC(=O)N TS07002 [0,0,0,0,0,0|2,0,0]=2 35 B9R0.2 CCCCNCCC(=O)O TS40320 [0,0,0,0,0,0|1,0,0]=1 36 B9R0.2 CN(C)CCCCCCN TS07034 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.2 CN(C)CCCCCCO TS40334 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.4 C#CCCCCCCO TS05177 [1,0,0,0,0,0|0,0,3]=4 39 B8R0.4 C(CCCBr)CCC#N TS51024 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.4 C(CCCBr)CCCBr TS68070 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.4 C(CCCCl)CCC#N TS07151 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.4 C(CCCCl)CCCCl TS44969 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.4 C(CCCN)CCCN TS05605 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.4 C(CCCN)CCCO TS36619 [1,0,0,0,0,0|1,0,1]=3 45 B8R0.4 C(CCCO)CCCBr TS55654 [1,0,0,0,0,0|1,0,1]=3 46 B8R0.4 C(CCCO)CCCO TS36690 [1,0,0,0,0,0|1,0,1]=3 47 B8R0.4 C(CCC[Zn+])CCC#N TS67764 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.4 C(CCNCCO)CN TS36704 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.4 C(CNCCCO)CO TS02184 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.4 C(CO)CSCCCO TS09957 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.4 C=CCCCCCC=C TS05042 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.4 C=CCCCCCCBr TS01315 [1,0,0,0,0,0|2,0,0]=3 53 B8R0.4 C=CCCCCCCO TS05382 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.4 CCC=CCCCCO TS36323 [1,0,0,0,0,0|0,0,3]=4 55 B8R0.4 CCC=CCCOC=O TS05352 [1,0,0,0,0,0|1,0,2]=4 56 B8R0.4 CCCC=CCOC=O TS05336 [1,0,0,0,0,0|1,0,2]=4 57 B8R0.4 CCCCC#CCC=C TS04924 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.4 CCCCC#CCCO TS36147 [1,0,0,0,0,0|0,0,3]=4 59 B8R0.4 CCCCC=CCCO TS36327 [1,0,0,0,0,0|0,0,3]=4 60 B8R0.4 CCCCCC#CC=C TS32531 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.4 CCCCCC#CCO TS05190 [1,0,0,0,0,0|0,0,3]=4 62 B8R0.4 CCCCCC=CC=O TS36157 [1,0,0,0,0,0|0,0,2]=3 63 B8R0.4 CCCCCC=CCO TS05393 [1,0,0,0,0,0|0,0,3]=4 64 B8R0.4 CCCCCCC#CC TS05062 [1,0,0,0,0,0|1,0,2]=4 65 B8R0.4 CCCCCCC=CC TS05227 [1,0,0,0,0,0|1,0,1]=3 66 B8R0.4 CCCCCCC=NO TS36429 [1,0,0,0,0,0|1,0,1]=3 67 B8R0.4 CCCCCCCC#C TS05045 [1,0,0,0,0,0|1,0,1]=3 68 B8R0.4 CCCCCCCC#N TS05112 [1,0,0,0,0,0|1,0,1]=3 69 B8R0.4 CCCCCCCC=C TS05208 [1,0,0,0,0,0|1,0,0]=2 70 B8R0.4 CCCCCCCC=O TS05399 [1,0,0,0,0,0|0,0,0]=1 71 B8R0.4 CCCCCCCCBr TS00038 [1,0,0,0,0,0|1,0,1]=3 72 B8R0.4 CCCCCCCCC TS05427 [1,0,0,0,0,0|1,0,1]=3 73 B8R0.4 CCCCCCCCCl TS07517 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.4 CCCCCCCCF TS05771 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.4 CCCCCCCCN TS05489 [1,0,0,0,0,0|1,0,1]=3 76 B8R0.4 CCCCCCCCN TS12120 [1,0,0,0,0,0|1,0,1]=3 77 B8R0.4 CCCCCCCCN TS20855 [1,0,0,0,0,0|1,0,1]=3 78 B8R0.4 CCCCCCCCO TS36550 [1,0,0,0,0,0|0,0,1]=2 79 B8R0.4 CCCCCCCCS TS40481 [1,0,0,0,0,0|0,1,1]=3 80 B8R0.4 CCCCCCCC[Si] TS07042 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.4 CCCCCCCNC TS05499 [1,0,0,0,0,0|2,0,0]=3 82 B8R0.4 CCCCCCN=C=O TS36237 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.4 CCCCCCN=C=S TS06881 [1,0,0,0,0,0|1,1,1]=4 84 B8R0.4 CCCCCCNCC TS05500 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.4 CCCCCCOC=O TS36508 [1,0,0,0,0,0|1,0,0]=2 86 B8R0.4 CCCCCCSCC TS40479 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.4 CCCCCNCCO TS36622 [1,0,0,0,0,0|1,0,1]=3 88 B8R0.4 CCCCCOCC=C TS05379 [1,0,0,0,0,0|2,0,0]=3 89 B8R0.4 CCCCCOCCO TS36691 [1,0,0,0,0,0|1,0,1]=3 90 B8R0.4 CCCCNCCC#N TS36164 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.4 CCCCNCCCC TS55846 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.4 CCCCOCCC#N TS36235 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.4 CCCCOCCCC TS05599 [1,0,0,0,0,0|2,0,1]=4 94 B8R0.4 CCCCOCCCN TS36614 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.4 CCCCPCCCC TS40455 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.4 CCCCSCCCC TS40480 [1,0,0,0,0,0|2,0,1]=4 97 B8R0.4 CCCC[GeH2]CCCC TS16104 [1,0,0,0,0,0|1,1,1]=4 98 B8R0.4 CCCC[Hg]CCCC TS76737 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.4 CCCC[NH2+]CCCC TS49201 [1,0,0,0,0,0|2,0,1]=4 100 B8R0.4 CCCC[Sn+2]CCCC TS64754 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.4 CCCC[Sn+2]CCCC TS78833 [1,0,0,0,0,0|2,0,1]=4 102 B8R0.4 CCCC[Sn+2]CCCC TS79757 [1,0,0,0,0,0|2,0,1]=4 103 B8R0.4 CCCC[Te]CCCC TS57621 [1,0,0,0,0,0|2,0,1]=4 104 B8R0.4 CCCC[Zn]CCCC TS14479 [1,0,0,0,0,0|2,0,1]=4 105 B8R0.4 CCOCCOCCO TS05898 [1,0,0,0,0,0|2,0,1]=4 106 B8R0.4 CNCCCCCCO TS36615 [1,0,0,0,0,0|1,0,1]=3 107 B8R0.4 COCCCCCOC TS36689 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.4 [B+](CCCC)CCCC TS33566 [1,0,0,0,0,0|2,0,1]=4 109 B8R0.7 B(CCCCCC)(O)O TS32717 [1,0,0,0,0,0|1,0,1]=3 110 B8R0.7 C#CCCCCC(=O)O TS05162 [1,0,0,0,0,0|0,0,2]=3 111 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [1,0,0,0,0,0|2,0,0]=3 112 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [1,0,0,0,0,0|2,0,0]=3 113 B8R0.7 C(CCC(=O)N)CCBr TS17766 [1,0,0,0,0,0|2,0,0]=3 114 B8R0.7 C(CCC(=O)N)CCN TS93750 [1,0,0,0,0,0|2,0,0]=3 115 B8R0.7 C(CCC(=O)O)CCBr TS55559 [1,0,0,0,0,0|1,0,0]=2 116 B8R0.7 C(CCC(=O)O)CCCl TS09966 [1,0,0,0,0,0|1,0,0]=2 117 B8R0.7 C(CCC(=O)O)CCN TS33197 [1,0,0,0,0,0|1,0,0]=2 118 B8R0.7 C(CCC(=O)O)CCN TS94650 [1,0,0,0,0,0|1,0,0]=2 119 B8R0.7 C(CCC(=O)O)CCO TS55607 [1,0,0,0,0,0|1,0,0]=2 120 B8R0.7 C(CCCl)COC(=O)Cl TS12954 [1,0,0,0,0,0|3,0,0]=4 121 B8R0.7 C(CCON)CC(=O)O TS44444 [1,0,0,0,0,0|2,0,0]=3 122 B8R0.7 C=CCCCCC(=O)O TS36303 [1,0,0,0,0,0|0,0,2]=3 123 B8R0.7 C=CCOCCC(=O)O TS05525 [1,0,0,0,0,0|1,0,2]=4 124 B8R0.7 CC(=O)NCCCCN TS43167 [1,0,0,0,0,0|3,0,0]=4 125 B8R0.7 CC(=O)OCCCCBr TS17993 [1,0,0,0,0,0|3,0,0]=4 126 B8R0.7 CC(=O)OCCCCI TS26787 [1,0,0,0,0,0|3,0,0]=4 127 B8R0.7 CC(=O)OCCCSC TS07491 [1,0,0,0,0,0|3,0,0]=4 128 B8R0.7 CC=CCNCC(=O)O TS36417 [1,0,0,0,0,0|1,0,2]=4 129 B8R0.7 CCCC=CCC(=O)O TS36290 [1,0,0,0,0,0|0,0,2]=3 130 B8R0.7 CCCCC#CC(=O)O TS36120 [1,0,0,0,0,0|0,0,2]=3 131 B8R0.7 CCCCC=CC(=O)C TS05179 [1,0,0,0,0,0|1,0,2]=4 132 B8R0.7 CCCCC=CC(=O)Cl TS07286 [1,0,0,0,0,0|1,0,2]=4 133 B8R0.7 CCCCC=CC(=O)O TS05335 [1,0,0,0,0,0|0,0,2]=3 134 B8R0.7 CCCCCCC(=O)C TS36325 [1,0,0,0,0,0|1,0,0]=2 135 B8R0.7 CCCCCCC(=O)Cl TS07515 [1,0,0,0,0,0|1,0,0]=2 136 B8R0.7 CCCCCCC(=O)N TS36432 [1,0,0,0,0,0|1,0,0]=2 137 B8R0.7 CCCCCCC(=O)O TS05558 [1,0,0,0,0,0|0,0,0]=1 138 B8R0.7 CCCCCCC(=O)[O-] TS10169 [1,0,0,0,0,0|0,0,1]=2 139 B8R0.7 CCCCCCC(C)Br TS51603 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.7 CCCCCCC(C)C TS05423 [1,0,0,0,0,0|2,0,1]=4 141 B8R0.7 CCCCCCC(C)Cl TS07520 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.7 CCCCCCC(C)I TS26460 [1,0,0,0,0,0|2,0,1]=4 143 B8R0.7 CCCCCCC(C)N TS05493 [1,0,0,0,0,0|2,0,1]=4 144 B8R0.7 CCCCCCC(C)O TS05590 [1,0,0,0,0,0|1,0,1]=3 145 B8R0.7 CCCCCCC(C)S TS40477 [1,0,0,0,0,0|1,1,1]=4 146 B8R0.7 CCCCCC[C@@H](C)N TS05497 [1,0,0,0,0,0|2,0,1]=4 147 B8R0.7 CCCCCC[C@@H](C)O TS05598 [1,0,0,0,0,0|1,0,1]=3 148 B8R0.7 CCCCCC[C@H](C)N TS05488 [1,0,0,0,0,0|2,0,1]=4 149 B8R0.7 CCCCCC[C@H](C)O TS46634 [1,0,0,0,0,0|1,0,1]=3 150 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [1,0,0,0,0,0|1,0,1]=3 151 B8R0.7 CCCCCC[SiH](Cl)Cl TS48718 [1,0,0,0,0,0|2,1,0]=4 152 B8R0.7 CCCCCOC(=O)C TS05568 [1,0,0,0,0,0|2,0,0]=3 153 B8R0.7 CCCCCOC(=O)Cl TS59753 [1,0,0,0,0,0|2,0,0]=3 154 B8R0.7 CCCCCON(=O)=O TS05817 [1,0,0,0,0,0|2,0,1]=4 155 B8R0.7 CCCCOCC(=O)O TS05720 [1,0,0,0,0,0|1,0,0]=2 156 B8R0.7 CCCCOCC(C)O TS05758 [1,0,0,0,0,0|2,0,1]=4 157 B8R0.7 CCOCCOC(=O)C TS05728 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.7 CCOCCOC(=O)Cl TS10247 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.7 COCCOCC(=O)O TS08222 [1,0,0,0,0,0|2,0,0]=3 160 B10R0.3 C(CN)C(=O)NCCC(=O)O TS11233 [0,1,0,0,0,0|2,0,1]=4 161 B10R0.3 CCCC(C)CCOC(=O)C TS11027 [0,1,0,0,0,0|2,0,0]=3 162 B10R0.3 CCCC(CCOC(=O)C)S TS46183 [0,1,0,0,0,0|2,0,0]=3 163 B10R0.3 CCOC(=O)CCCC(=O)C TS41896 [0,1,0,0,0,0|2,0,1]=4 164 B10R0.3 CCOC(=O)CCCC(=O)Cl TS47626 [0,1,0,0,0,0|2,0,1]=4 165 B10R0.3 CCOC(=O)CCCC(=O)O TS11210 [0,1,0,0,0,0|1,0,1]=3 166 B10R0.4 B(C=CCCCCCC)(O)O TS41569 [0,1,0,0,0,0|1,0,2]=4 167 B10R0.4 B(CCCCCCCC)(O)O TS41838 [0,1,0,0,0,0|1,0,1]=3 168 B10R0.4 C#CCCCCCCC(=O)O TS29475 [0,1,0,0,0,0|0,0,1]=2 169 B10R0.4 C(CCCC(=O)O)CCCBr TS01319 [0,1,0,0,0,0|0,0,0]=1 170 B10R0.4 C(CCCC(=O)O)CCCN TS11174 [0,1,0,0,0,0|0,0,0]=1 171 B10R0.4 C(CCCC(=O)O)CCCO TS11268 [0,1,0,0,0,0|0,0,0]=1 172 B10R0.4 C(CCNCCC(=O)O)CN TS68144 [0,1,0,0,0,0|1,0,0]=2 173 B10R0.4 C(COCCOCC(=O)O)N TS11679 [0,1,0,0,0,0|2,0,0]=3 174 B10R0.4 C(COCCOCC(=O)O)N TS47032 [0,1,0,0,0,0|2,0,0]=3 175 B10R0.4 CC(=O)OCCCCCC=C TS10714 [0,1,0,0,0,0|1,0,2]=4 176 B10R0.4 CC(=O)OCCCCCCBr TS50269 [0,1,0,0,0,0|2,0,0]=3 177 B10R0.4 CC(C)CCCCCCCO TS41982 [0,1,0,0,0,0|2,0,1]=4 178 B10R0.4 CCCC=CCCOC(=O)C TS10718 [0,1,0,0,0,0|1,0,2]=4 179 B10R0.4 CCCCC=CCOC(=O)C TS41636 [0,1,0,0,0,0|1,0,2]=4 180 B10R0.4 CCCCCC=CCC(=O)O TS41642 [0,1,0,0,0,0|0,0,1]=2 181 B10R0.4 CCCCCCC#CC(=O)O TS41396 [0,1,0,0,0,0|0,0,1]=2 182 B10R0.4 CCCCCCC=CC(=O)C TS10484 [0,1,0,0,0,0|1,0,1]=3 183 B10R0.4 CCCCCCC=CC(=O)O TS41637 [0,1,0,0,0,0|0,0,1]=2 184 B10R0.4 CCCCCCCCC(=O)C TS10747 [0,1,0,0,0,0|1,0,0]=2 185 B10R0.4 CCCCCCCCC(=O)Cl TS46204 [0,1,0,0,0,0|1,0,0]=2 186 B10R0.4 CCCCCCCCC(=O)N TS10891 [0,1,0,0,0,0|1,0,0]=2 187 B10R0.4 CCCCCCCCC(=O)O TS11031 [0,1,0,0,0,0|0,0,0]=1 188 B10R0.4 CCCCCCCCC(=O)[O-] TS14628 [0,1,0,0,0,0|0,0,1]=2 189 B10R0.4 CCCCCCCCC(C)Br TS49920 [0,1,0,0,0,0|2,0,1]=4 190 B10R0.4 CCCCCCCCC(C)C TS10780 [0,1,0,0,0,0|2,0,1]=4 191 B10R0.4 CCCCCCCCC(C)O TS41974 [0,1,0,0,0,0|1,0,1]=3 192 B10R0.4 CCCCCCCCN(C)C TS22279 [0,1,0,0,0,0|3,0,0]=4 193 B10R0.4 CCCCCCCCN(C)C TS41817 [0,1,0,0,0,0|3,0,0]=4 194 B10R0.4 CCCCCCCC[C@H](C)O TS41983 [0,1,0,0,0,0|1,0,1]=3 195 B10R0.4 CCCCCCCC[N+](=O)[O-] TS11163 [0,1,0,0,0,0|1,0,1]=3 196 B10R0.4 CCCCCCCNC(=O)N TS41954 [0,1,0,0,0,0|1,0,0]=2 197 B10R0.4 CCCCCCCNC(=S)N TS13566 [0,1,0,0,0,0|1,1,0]=3 198 B10R0.4 CCCCCCCOC(=O)Cl TS47643 [0,1,0,0,0,0|1,0,0]=2 199 B10R0.4 CCCCOCCOC(=O)C TS11278 [0,1,0,0,0,0|2,0,0]=3 200 B10R0.4 CNCCCCCCN(C)C TS41989 [0,1,0,0,0,0|3,0,0]=4 201 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N TS25356 [0,1,0,0,0,0|1,0,0]=2 202 B10R0.6 CCCCCC(=O)CC(=O)C TS10719 [0,1,0,0,0,0|1,0,1]=3 203 B10R0.6 CCCCCC(C)CC(=O)O TS11024 [0,1,0,0,0,0|0,0,0]=1 204 B10R0.6 CCCCCC(CC(=O)O)O TS11269 [0,1,0,0,0,0|0,0,0]=1 205 B10R0.6 CCCCCC(CC(C)C)O TS41977 [0,1,0,0,0,0|2,0,1]=4 206 B10R0.6 CCCCOC(=O)CC(=O)C TS41890 [0,1,0,0,0,0|2,0,1]=4 207 B10R0.22 C(CNCCN)CS(=O)(=O)O TS48297 [0,1,0,0,0,0|3,0,0]=4 208 B10R0.22 CCCCCCCC(C)(C)Cl TS46209 [0,1,0,0,0,0|2,0,1]=4 209 B10R0.22 CCCCCCCC(C)(C)O TS41969 [0,1,0,0,0,0|1,0,1]=3 210 B10R0.22 CCCCCCCN(=O)(C)C TS42089 [0,1,0,0,0,0|2,0,0]=3 211 B10R0.22 CCCCCCCP(=O)(Cl)Cl TS49214 [0,1,0,0,0,0|2,0,0]=3 212 B10R0.22 CCCCCCCS(=O)(=O)[O-] TS19397 [0,1,0,0,0,0|1,0,1]=3 213 B10R0.22 CCCCCCC[Si](C)(Cl)Cl TS44325 [0,1,0,0,0,0|2,1,0]=4 214 B10R0.22 CCCCCCOS(=O)(=O)[O-] TS19732 [0,1,0,0,0,0|2,0,1]=4 215 B10R0.55 COC(=O)CCCCC(=O)Cl TS14308 [0,1,0,0,0,0|2,0,1]=4 216 B10R0.55 COC(=O)CCCCC(=O)[O-] TS11212 [0,1,0,0,0,0|1,0,2]=4 217 B10R0.74 CCCCCC#CC(=O)OC TS10452 [0,1,0,0,0,0|0,0,2]=3 218 B10R0.74 CCCCCC=CC(=O)OC TS10720 [0,1,0,0,0,0|0,0,2]=3 219 B10R0.74 CCCCCCCC(=O)CC TS41682 [0,1,0,0,0,0|1,0,0]=2 220 B10R0.74 CCCCCCCC(=O)NN TS41952 [0,1,0,0,0,0|1,0,0]=2 221 B10R0.74 CCCCCCCC(=O)N[O-] TS14789 [0,1,0,0,0,0|0,0,1]=2 222 B10R0.74 CCCCCCCC(=O)OC TS01755 [0,1,0,0,0,0|0,0,0]=1 223 B10R0.74 CCCCCCCC(CC)O TS11069 [0,1,0,0,0,0|1,0,1]=3 224 B10R0.74 CCCCCCCC(CCl)Cl TS18419 [0,1,0,0,0,0|2,0,1]=4 225 B10R0.74 CCCCCCCC(CO)O TS11306 [0,1,0,0,0,0|0,0,2]=3 226 B10R0.74 CCCCCCNC(=S)NN TS46017 [0,1,0,0,0,0|2,1,0]=4 227 B10R0.74 CCCCCCOC(=O)C=C TS41638 [0,1,0,0,0,0|2,0,0]=3 228 B10R0.74 CCCCCCOC(=O)CC TS41939 [0,1,0,0,0,0|2,0,0]=3 229 B10R0.74 CCCCCCOC(=O)CN TS18152 [0,1,0,0,0,0|2,0,0]=3 230 B10R0.74 CCCCNCCC(=O)OC TS11160 [0,1,0,0,0,0|1,0,0]=2 231 B10R0.74 CCCCOCNC(=O)C=C TS41795 [0,1,0,0,0,0|3,0,0]=4 232 B10R0.74 COC(=O)CCCCCC=O TS41903 [0,1,0,0,0,0|1,0,1]=3 233 B10R0.74 COC(=O)CCCCCCN TS11176 [0,1,0,0,0,0|1,0,0]=2 234 B10R0.74 COC(=O)CCCCCCN TS85142 [0,1,0,0,0,0|1,0,0]=2 235 B10R0.75 C(CO)CSC[C@@H](C(=O)O)N TS47766 [0,1,0,0,0,0|2,0,0]=3 236 B10R0.75 CCCCCCC(=C(F)F)F TS43081 [0,1,0,0,0,0|2,0,1]=4 237 B10R0.75 CCCCCCC(=O)C(=O)O TS10976 [0,1,0,0,0,0|0,0,1]=2 238 B10R0.75 CCCCCCC(C(=O)O)Br TS50267 [0,1,0,0,0,0|0,0,0]=1 239 B10R0.75 CCCCCCC(C(=O)O)N TS11153 [0,1,0,0,0,0|0,0,0]=1 240 B10R0.75 CCCCCCC(C(=O)O)O TS11275 [0,1,0,0,0,0|0,0,0]=1 241 B10R0.75 CCCCCCC(C(C)C)O TS41973 [0,1,0,0,0,0|2,0,1]=4 242 B10R0.75 CCCCCCC(C)C(=O)O TS11035 [0,1,0,0,0,0|0,0,0]=1 243 B10R0.75 CCCCCC[C@@H](C(=O)O)N TS11157 [0,1,0,0,0,0|0,0,0]=1 244 B10R0.75 CCCCCC[C@H](C(=O)O)N TS11158 [0,1,0,0,0,0|0,0,0]=1 245 B10R0.75 CCCCSC[C@@H](C(=O)O)N TS14083 [0,1,0,0,0,0|1,0,0]=2 246 B10R0.75 CNCCCC[C@@H](C(=O)O)N TS18381 [0,1,0,0,0,0|1,0,0]=2 247 B10R0.78 CC(=O)NCC(CCCCl)Cl TS53956 [0,1,0,0,0,0|3,0,0]=4 248 B10R0.78 CCCCC(C)CCC(=O)O TS41944 [0,1,0,0,0,0|0,0,0]=1 249 B10R0.78 CCCCC(CCC(C)C)O TS11063 [0,1,0,0,0,0|2,0,1]=4 250 B10R0.97 C(CCC(=O)Cl)CCC(=O)Cl TS18409 [0,1,0,0,0,0|2,0,1]=4 251 B10R0.97 C(CCC(=O)O)CCC(=O)O TS39875 [0,1,0,0,0,0|1,0,1]=3 252 B10R0.97 C(CNCCC(=O)O)C(=O)O TS42266 [0,1,0,0,0,0|2,0,1]=4 253 B10R0.97 C(CSCCC(=O)O)C(=O)O TS47540 [0,1,0,0,0,0|2,0,1]=4 254 B10R0.97 CC(=O)CCSCCC(=O)C TS45828 [0,1,0,0,0,0|2,0,1]=4 255 B10R0.97 CC(=O)NCSCCC(=O)O TS46292 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.16 CCCCC1CCC(=O)O1 TS37606 [0,0,0,1,0,0|0,0,0]=1 257 B10R1.16 CCCCC1CCC(C1)C TS59743 [0,0,0,1,0,0|2,0,1]=4 258 B10R1.16 CCCC[C@@H]1COC(=O)N1 TS06863 [0,0,0,1,0,0|2,0,0]=3 259 B10R1.16 CCCC[C@H]1COC(=O)N1 TS06854 [0,0,0,1,0,0|2,0,0]=3 260 B10R1.18 C1CC(CNC1)CC(=O)O TS14484 [0,0,0,1,0,0|1,0,0]=2 261 B10R1.18 C1CC(CNC1)CC(=O)O TS86609 [0,0,0,1,0,0|1,0,0]=2 262 B10R1.18 C1CCC(=CC1)CC(=O)O TS46941 [0,0,0,1,0,0|0,0,2]=3 263 B10R1.18 C1CCC(CC1)CC(=O)O TS06711 [0,0,0,1,0,0|0,0,0]=1 264 B10R1.18 C1CCC(CC1)NC(=O)N TS06732 [0,0,0,1,0,0|2,0,0]=3 265 B10R1.18 C1CCC(CC1)NC(=S)N TS11048 [0,0,0,1,0,0|2,1,0]=4 266 B10R1.18 C1CCC(CC1)OC(=O)Cl TS11630 [0,0,0,1,0,0|2,0,0]=3 267 B10R1.18 C1CCC(CC1)O[N+](=O)[O-] TS07074 [0,0,0,1,0,0|2,0,1]=4 268 B10R1.18 C1CCN(CC1)CC(=O)O TS06867 [0,0,0,1,0,0|1,0,0]=2 269 B10R1.18 C1CCOC(C1)CC(=O)O TS60188 [0,0,0,1,0,0|1,0,0]=2 270 B10R1.18 C1CN(CCN1)CC(=O)N TS47806 [0,0,0,1,0,0|3,0,0]=4 271 B10R1.18 C1CN(CCN1)CC(=O)O TS11551 [0,0,0,1,0,0|2,0,0]=3 272 B10R1.18 C1CNCCC1CC(=O)N TS85244 [0,0,0,1,0,0|2,0,0]=3 273 B10R1.18 C1CNCCC1CC(=O)O TS87660 [0,0,0,1,0,0|1,0,0]=2 274 B10R1.18 C1CNCCC1NC(=O)N TS47807 [0,0,0,1,0,0|3,0,0]=4 275 B10R1.18 C1COC(CN1)CC(=O)O TS40294 [0,0,0,1,0,0|2,0,0]=3 276 B10R1.18 C1COCC(N1)CC(=O)O TS40297 [0,0,0,1,0,0|2,0,0]=3 277 B10R1.18 C1COCCC1=CC(=O)O TS32767 [0,0,0,1,0,0|1,0,2]=4 278 B10R1.18 C1COCCC1CC(=O)O TS02099 [0,0,0,1,0,0|1,0,0]=2 279 B10R1.18 C1COCCN1CC(=O)O TS14840 [0,0,0,1,0,0|2,0,0]=3 280 B10R1.18 C1CSCCN1CC(=O)O TS11431 [0,0,0,1,0,0|2,0,0]=3 281 B10R1.18 CC(=C)CC1CCCCC1 TS06328 [0,0,0,1,0,0|2,0,0]=3 282 B10R1.18 CC(=O)CC1=CCCCC1 TS37218 [0,0,0,1,0,0|1,0,2]=4 283 B10R1.18 CC(=O)CC1CCCCC1 TS06510 [0,0,0,1,0,0|1,0,0]=2 284 B10R1.18 CC(=O)NC1CCCNC1 TS16730 [0,0,0,1,0,0|3,0,0]=4 285 B10R1.18 CC(=O)NC1CCNCC1 TS06734 [0,0,0,1,0,0|3,0,0]=4 286 B10R1.18 CC(=O)OC1CCCCC1 TS37599 [0,0,0,1,0,0|2,0,0]=3 287 B10R1.18 CC(C)CC1CCCCC1 TS06527 [0,0,0,1,0,0|2,0,1]=4 288 B10R1.18 CC(CN1CCCCC1)O TS40106 [0,0,0,1,0,0|2,0,1]=4 289 B10R1.18 CN(C)CC1CCCCC1 TS37520 [0,0,0,1,0,0|3,0,0]=4 290 B10R1.39 CCN1CCC[C@H]1C(=O)N TS06726 [0,0,0,1,0,0|2,0,0]=3 291 B10R1.61 C1C=CC[C@@H]([C@@H]1C(=O)O)N TS06593 [0,0,0,1,0,0|1,0,2]=4 292 B10R1.61 C1C=CC[C@H]([C@@H]1C(=O)O)N TS06590 [0,0,0,1,0,0|1,0,2]=4 293 B10R1.61 C1CCC(=O)C(C1)C(=O)N TS06586 [0,0,0,1,0,0|2,0,1]=4 294 B10R1.61 C1CCC(C(C1)C(=O)O)N TS06859 [0,0,0,1,0,0|1,0,0]=2 295 B10R1.61 C1CCC(C(C1)C(=O)O)O TS16698 [0,0,0,1,0,0|1,0,0]=2 296 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)N)O TS40080 [0,0,0,1,0,0|2,0,0]=3 297 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)O TS06865 [0,0,0,1,0,0|2,0,0]=3 298 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N TS40083 [0,0,0,1,0,0|1,0,0]=2 299 B10R1.61 C1CC[C@H]([C@H](C1)C(=O)O)N TS14483 [0,0,0,1,0,0|1,0,0]=2 300 B10R1.61 C1CNCC(C1=O)C(=O)O TS02247 [0,0,0,1,0,0|2,0,1]=4 301 B10R1.61 C1C[C@@H]([C@@H](C=C1)N)C(=O)O TS46356 [0,0,0,1,0,0|1,0,2]=4 302 B10R1.61 C1C[C@H]([C@H](C=C1)N)C(=O)O TS46355 [0,0,0,1,0,0|1,0,2]=4 303 B10R1.61 CN1CCCCC1C(=O)O TS08695 [0,0,0,1,0,0|1,0,0]=2 304 B10R1.64 C1CC(=O)N(C1)CC(=O)O TS16711 [0,0,0,1,0,0|2,0,1]=4 305 B10R1.64 CC(=O)O[C@@H]1CCC[C@H]1O TS06956 [0,0,0,1,0,0|3,0,0]=4 306 B10R1.66 C1CCC(C1)CCC(=O)Cl TS11340 [0,0,0,1,0,0|1,0,0]=2 307 B10R1.66 C1CCC(C1)CCC(=O)O TS37610 [0,0,0,1,0,0|0,0,0]=1 308 B10R1.66 C1CCC(C1)NCC(=O)O TS64976 [0,0,0,1,0,0|1,0,0]=2 309 B10R1.66 C1CCN(C1)CCC(=O)N TS06729 [0,0,0,1,0,0|2,0,0]=3 310 B10R1.66 C1CCN(C1)CCC(=O)O TS06860 [0,0,0,1,0,0|1,0,0]=2 311 B10R1.66 C1COC(O1)CCC(=O)O TS07160 [0,0,0,1,0,0|2,0,0]=3 312 B10R1.66 CC(=O)OCC1CCCO1 TS06945 [0,0,0,1,0,0|3,0,0]=4 313 B10R1.177 CCCCCOC[C@H]1CO1 TS06975 [0,0,0,1,0,0|2,0,1]=4 314 B10R1.295 CC1(CCCCCCC1)O TS06744 [0,0,0,1,0,0|1,0,1]=3 315 B10R1.348 C1CC(CCNC1)C(=O)O TS86816 [0,0,0,1,0,0|1,0,0]=2 316 B10R1.348 C1CCCC(CC1)C(=O)O TS01402 [0,0,0,1,0,0|0,0,0]=1 317 B10R1.348 C1CCCN(CC1)C(=S)S TS33643 [0,0,0,1,0,0|1,2,0]=4 318 B10R1.348 CC(=C1CCCCCC1)C TS37233 [0,0,0,1,0,0|2,0,1]=4 319 B10R1.348 CC(=O)N1CCCNCC1 TS06733 [0,0,0,1,0,0|3,0,0]=4 320 B7R0.1 C#CCCCCCO TS01237 [2,0,0,0,0,0|0,0,2]=4 321 B7R0.1 C(CCC=O)CC=O TS29478 [2,0,0,0,0,0|1,0,1]=4 322 B7R0.1 C(CCCBr)CCBr TS07890 [2,0,0,0,0,0|2,0,0]=4 323 B7R0.1 C(CCCBr)CCCl TS00416 [2,0,0,0,0,0|2,0,0]=4 324 B7R0.1 C(CCCBr)CCO TS59727 [2,0,0,0,0,0|1,0,0]=3 325 B7R0.1 C(CCCCl)CCCl TS10546 [2,0,0,0,0,0|2,0,0]=4 326 B7R0.1 C(CCCCl)CCO TS06143 [2,0,0,0,0,0|1,0,0]=3 327 B7R0.1 C(CCCI)CCCl TS27509 [2,0,0,0,0,0|2,0,0]=4 328 B7R0.1 C(CCCN)CCN TS04632 [2,0,0,0,0,0|2,0,0]=4 329 B7R0.1 C(CCCN)CCN TS41228 [2,0,0,0,0,0|2,0,0]=4 330 B7R0.1 C(CCCN)CCN TS41960 [2,0,0,0,0,0|2,0,0]=4 331 B7R0.1 C(CCCN)CCN TS42181 [2,0,0,0,0,0|2,0,0]=4 332 B7R0.1 C(CCCO)CCN TS39356 [2,0,0,0,0,0|1,0,0]=3 333 B7R0.1 C(CCCO)CCO TS46825 [2,0,0,0,0,0|1,0,0]=3 334 B7R0.1 C(CCCS)CCO TS36872 [2,0,0,0,0,0|1,0,0]=3 335 B7R0.1 C(CCCS)CCS TS40940 [2,0,0,0,0,0|1,1,0]=4 336 B7R0.1 C(CCC[Zn+])CCCl TS68903 [2,0,0,0,0,0|2,0,0]=4 337 B7R0.1 C(CN)CNCCO TS56334 [2,0,0,0,0,0|2,0,0]=4 338 B7R0.1 C(CNCCN)CO TS32350 [2,0,0,0,0,0|2,0,0]=4 339 B7R0.1 C(CNCCO)CO TS04790 [2,0,0,0,0,0|2,0,0]=4 340 B7R0.1 C=CCCCCCBr TS59625 [2,0,0,0,0,0|1,0,1]=4 341 B7R0.1 C=CCCCCCCl TS36738 [2,0,0,0,0,0|1,0,1]=4 342 B7R0.1 C=CCCCCCO TS04461 [2,0,0,0,0,0|0,0,2]=4 343 B7R0.1 CCC=CCCC=O TS04313 [2,0,0,0,0,0|0,0,2]=4 344 B7R0.1 CCC=CCCCO TS04463 [2,0,0,0,0,0|0,0,2]=4 345 B7R0.1 CCCC#CCCO TS31945 [2,0,0,0,0,0|0,0,2]=4 346 B7R0.1 CCCC=CCCO TS04459 [2,0,0,0,0,0|0,0,2]=4 347 B7R0.1 CCCCC#CCO TS31930 [2,0,0,0,0,0|0,0,2]=4 348 B7R0.1 CCCCC=CC=O TS04311 [2,0,0,0,0,0|0,0,2]=4 349 B7R0.1 CCCCC=CCO TS32112 [2,0,0,0,0,0|0,0,2]=4 350 B7R0.1 CCCCCC=CC TS31964 [2,0,0,0,0,0|1,0,1]=4 351 B7R0.1 CCCCCCC#C TS31852 [2,0,0,0,0,0|0,0,2]=4 352 B7R0.1 CCCCCCC#N TS31893 [2,0,0,0,0,0|1,0,1]=4 353 B7R0.1 CCCCCCC=O TS32096 [2,0,0,0,0,0|0,0,0]=2 354 B7R0.1 CCCCCCCBr TS00035 [2,0,0,0,0,0|1,0,0]=3 355 B7R0.1 CCCCCCCCl TS36887 [2,0,0,0,0,0|1,0,0]=3 356 B7R0.1 CCCCCCCF TS32353 [2,0,0,0,0,0|1,0,0]=3 357 B7R0.1 CCCCCCCI TS52275 [2,0,0,0,0,0|1,0,0]=3 358 B7R0.1 CCCCCCCN TS04552 [2,0,0,0,0,0|1,0,0]=3 359 B7R0.1 CCCCCCCO TS32232 [2,0,0,0,0,0|0,0,0]=2 360 B7R0.1 CCCCCCCS TS05788 [2,0,0,0,0,0|0,1,0]=3 361 B7R0.1 CCCCCCNC TS04559 [2,0,0,0,0,0|1,0,1]=4 362 B7R0.1 CCCCCCOC TS32254 [2,0,0,0,0,0|1,0,1]=4 363 B7R0.1 CCCCCCSC TS05792 [2,0,0,0,0,0|1,0,1]=4 364 B7R0.1 CCCCCN=C=O TS04390 [2,0,0,0,0,0|1,0,1]=4 365 B7R0.1 CCCCCNCC TS04550 [2,0,0,0,0,0|1,0,1]=4 366 B7R0.1 CCCCCOCC TS32236 [2,0,0,0,0,0|1,0,1]=4 367 B7R0.1 CCCCCON=O TS04662 [2,0,0,0,0,0|2,0,0]=4 368 B7R0.1 CCCCCSCC TS36717 [2,0,0,0,0,0|1,0,1]=4 369 B7R0.1 CCCCNCCC TS04557 [2,0,0,0,0,0|1,0,1]=4 370 B7R0.1 CCCCNCCN TS04633 [2,0,0,0,0,0|2,0,0]=4 371 B7R0.1 CCCCNCCO TS32289 [2,0,0,0,0,0|1,0,0]=3 372 B7R0.1 CCCCNCCS TS36787 [2,0,0,0,0,0|1,1,0]=4 373 B7R0.1 CCCCOCC=C TS32094 [2,0,0,0,0,0|1,0,1]=4 374 B7R0.1 CCCCOCCBr TS48031 [2,0,0,0,0,0|2,0,0]=4 375 B7R0.1 CCCCOCCCl TS06142 [2,0,0,0,0,0|2,0,0]=4 376 B7R0.1 CCCCOCCO TS04738 [2,0,0,0,0,0|1,0,0]=3 377 B7R0.1 CCCCSCCC TS05790 [2,0,0,0,0,0|1,0,1]=4 378 B7R0.1 CCCCSCCO TS36874 [2,0,0,0,0,0|1,0,0]=3 379 B7R0.1 CCCNCCCN TS32259 [2,0,0,0,0,0|2,0,0]=4 380 B7R0.1 CCCNCCN=O TS04604 [2,0,0,0,0,0|2,0,0]=4 381 B7R0.1 CCCOCCCN TS32295 [2,0,0,0,0,0|2,0,0]=4 382 B7R0.1 CCNCCCCN TS36623 [2,0,0,0,0,0|2,0,0]=4 383 B7R0.1 CCNCCCCO TS32294 [2,0,0,0,0,0|1,0,0]=3 384 B7R0.1 CCOCCCCCl TS06141 [2,0,0,0,0,0|2,0,0]=4 385 B7R0.1 CNCCCCC=C TS93899 [2,0,0,0,0,0|1,0,1]=4 386 B7R0.4 B(CCCCC)(O)O TS01615 [2,0,0,0,0,0|1,0,1]=4 387 B7R0.4 C(CC(=O)O)CON TS18930 [2,0,0,0,0,0|2,0,0]=4 388 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [2,0,0,0,0,0|2,0,0]=4 389 B7R0.4 C(CCBr)CC(=O)O TS14721 [2,0,0,0,0,0|1,0,0]=3 390 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [2,0,0,0,0,0|2,0,0]=4 391 B7R0.4 C(CCCl)CC(=O)O TS06138 [2,0,0,0,0,0|1,0,0]=3 392 B7R0.4 C(CCN)CC(=O)O TS04661 [2,0,0,0,0,0|1,0,0]=3 393 B7R0.4 C(CCN)CC(=O)O TS41314 [2,0,0,0,0,0|1,0,0]=3 394 B7R0.4 C(CCl)OCC(=O)O TS37248 [2,0,0,0,0,0|2,0,0]=4 395 B7R0.4 C(CNCC(=O)O)N TS32336 [2,0,0,0,0,0|2,0,0]=4 396 B7R0.4 C=CCCCC(=O)O TS04449 [2,0,0,0,0,0|0,0,2]=4 397 B7R0.4 CC(=O)CCCCBr TS47671 [2,0,0,0,0,0|2,0,0]=4 398 B7R0.4 CC(=O)CCCCCl TS05947 [2,0,0,0,0,0|2,0,0]=4 399 B7R0.4 CCC=CCC(=O)O TS04425 [2,0,0,0,0,0|0,0,2]=4 400 B7R0.4 CCCC#CC(=O)O TS31912 [2,0,0,0,0,0|0,0,2]=4 401 B7R0.4 CCCC=CC(=O)O TS59547 [2,0,0,0,0,0|0,0,2]=4 402 B7R0.4 CCCCCC(=C)C TS04340 [2,0,0,0,0,0|2,0,0]=4 403 B7R0.4 CCCCCC(=O)C TS32098 [2,0,0,0,0,0|1,0,0]=3 404 B7R0.4 CCCCCC(=O)Cl TS05948 [2,0,0,0,0,0|1,0,0]=3 405 B7R0.4 CCCCCC(=O)N TS32152 [2,0,0,0,0,0|1,0,0]=3 406 B7R0.4 CCCCCC(=O)O TS32204 [2,0,0,0,0,0|0,0,0]=2 407 B7R0.4 CCCCCC(=O)[O-] TS37174 [2,0,0,0,0,0|0,0,1]=3 408 B7R0.4 CCCCCC(=O)[O-] TS58596 [2,0,0,0,0,0|0,0,1]=3 409 B7R0.4 CCCCCC(C)O TS32255 [2,0,0,0,0,0|1,0,1]=4 410 B7R0.4 CCCCC[C@@H](C)O TS04622 [2,0,0,0,0,0|1,0,1]=4 411 B7R0.4 CCCCC[C@H](C)O TS32248 [2,0,0,0,0,0|1,0,1]=4 412 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [2,0,0,0,0,0|1,0,1]=4 413 B7R0.4 CCCCNC(=O)C TS32171 [2,0,0,0,0,0|2,0,0]=4 414 B7R0.4 CCCCNC(=O)N TS04607 [2,0,0,0,0,0|2,0,0]=4 415 B7R0.4 CCCCOC(=O)C TS32218 [2,0,0,0,0,0|2,0,0]=4 416 B7R0.4 CCCCOC(=O)Cl TS16538 [2,0,0,0,0,0|2,0,0]=4 417 B7R0.4 CCCCOC(=O)N TS04660 [2,0,0,0,0,0|2,0,0]=4 418 B7R0.4 CCCNCC(=O)O TS04670 [2,0,0,0,0,0|1,0,0]=3 419 B7R0.4 CCCOCC(=O)O TS32314 [2,0,0,0,0,0|1,0,0]=3 420 B7R0.4 CCCSCC(=O)O TS05921 [2,0,0,0,0,0|1,0,0]=3 421 B7R0.4 CCOCCC(=O)C TS04589 [2,0,0,0,0,0|2,0,0]=4 422 B7R0.4 CCOCCC(=O)O TS32325 [2,0,0,0,0,0|1,0,0]=3 423 B7R0.4 CNCCCC(=O)O TS41308 [2,0,0,0,0,0|1,0,0]=3 424 B9R0.5 CCCCCC(C)CCC TS37671 [1,1,0,0,0,0|1,0,1]=4 425 B9R0.5 CCCCCC(CC=C)O TS06739 [1,1,0,0,0,0|1,0,0]=3 426 B9R0.5 CCCCCC(CCC)O TS40239 [1,1,0,0,0,0|1,0,1]=4 427 B9R0.18 CCCCC(C)CCCC TS06794 [1,1,0,0,0,0|1,0,1]=4 428 B9R0.18 CCCCC(CCCC)N TS06896 [1,1,0,0,0,0|1,0,1]=4 429 B9R0.18 CCCCC(CCCC)O TS40240 [1,1,0,0,0,0|1,0,1]=4 430 B9R0.45 C#CCCCCCCCO TS06488 [1,1,0,0,0,0|0,0,2]=4 431 B9R0.45 C(CCCCBr)CCCBr TS74186 [1,1,0,0,0,0|1,0,1]=4 432 B9R0.45 C(CCCCBr)CCCO TS59627 [1,1,0,0,0,0|0,0,1]=3 433 B9R0.45 C(CCCCCl)CCCCl TS48395 [1,1,0,0,0,0|1,0,1]=4 434 B9R0.45 C(CCCCCl)CCCO TS55696 [1,1,0,0,0,0|0,0,1]=3 435 B9R0.45 C(CCCCN)CCCN TS07039 [1,1,0,0,0,0|1,0,1]=4 436 B9R0.45 C(CCCCN)CCCN TS49233 [1,1,0,0,0,0|1,0,1]=4 437 B9R0.45 C(CCCCO)CCCN TS40336 [1,1,0,0,0,0|0,0,1]=3 438 B9R0.45 C(CCCCO)CCCO TS34596 [1,1,0,0,0,0|0,0,1]=3 439 B9R0.45 C(CCCCS)CCCS TS14294 [1,1,0,0,0,0|0,1,1]=4 440 B9R0.45 C=CCCCCCCC=C TS06323 [1,1,0,0,0,0|1,0,1]=4 441 B9R0.45 C=CCCCCCCCO TS37642 [1,1,0,0,0,0|1,0,0]=3 442 B9R0.45 CCC=CCCCCC=O TS06506 [1,1,0,0,0,0|0,0,1]=3 443 B9R0.45 CCC=CCCCCCO TS06747 [1,1,0,0,0,0|0,0,2]=4 444 B9R0.45 CCC=CCCOCC=O TS37602 [1,1,0,0,0,0|0,0,2]=4 445 B9R0.45 CCCCCC#CCCO TS06497 [1,1,0,0,0,0|0,0,2]=4 446 B9R0.45 CCCCCC=CCCO TS06745 [1,1,0,0,0,0|0,0,2]=4 447 B9R0.45 CCCCCCC#CCO TS06501 [1,1,0,0,0,0|0,0,2]=4 448 B9R0.45 CCCCCCC=CC=O TS37409 [1,1,0,0,0,0|0,0,1]=3 449 B9R0.45 CCCCCCC=CCC TS06528 [1,1,0,0,0,0|1,0,1]=4 450 B9R0.45 CCCCCCC=CCC TS06538 [1,1,0,0,0,0|1,0,1]=4 451 B9R0.45 CCCCCCC=CCO TS37637 [1,1,0,0,0,0|0,0,1]=3 452 B9R0.45 CCCCCCCC#CC TS06312 [1,1,0,0,0,0|1,0,1]=4 453 B9R0.45 CCCCCCCCC#C TS06311 [1,1,0,0,0,0|1,0,1]=4 454 B9R0.45 CCCCCCCCC=C TS06521 [1,1,0,0,0,0|1,0,0]=3 455 B9R0.45 CCCCCCCCC=O TS06760 [1,1,0,0,0,0|0,0,0]=2 456 B9R0.45 CCCCCCCCCBr TS00421 [1,1,0,0,0,0|1,0,1]=4 457 B9R0.45 CCCCCCCCCC TS37669 [1,1,0,0,0,0|1,0,1]=4 458 B9R0.45 CCCCCCCCCF TS40465 [1,1,0,0,0,0|1,0,1]=4 459 B9R0.45 CCCCCCCCCN TS06895 [1,1,0,0,0,0|1,0,1]=4 460 B9R0.45 CCCCCCCCCO TS07020 [1,1,0,0,0,0|0,0,1]=3 461 B9R0.45 CCCCCCCCCS TS11320 [1,1,0,0,0,0|0,1,1]=4 462 B9R0.45 CCCCCCCCNC TS06887 [1,1,0,0,0,0|1,0,1]=4 463 B9R0.45 CCCCCCCCSC TS11321 [1,1,0,0,0,0|0,1,1]=4 464 B9R0.45 CCCCCCCC[Mg]Br TS22286 [1,1,0,0,0,0|1,0,1]=4 465 B9R0.45 CCCCCCCN=C=O TS37514 [1,1,0,0,0,0|0,0,1]=3 466 B9R0.45 CCCCCCCN=C=S TS10905 [1,1,0,0,0,0|0,1,1]=4 467 B9R0.45 CCCCCCCNCC TS06892 [1,1,0,0,0,0|1,0,1]=4 468 B9R0.45 CCCCCCCSC#N TS10903 [1,1,0,0,0,0|1,0,1]=4 469 B9R0.45 CCCCCCNCCN TS07030 [1,1,0,0,0,0|1,0,1]=4 470 B9R0.45 CCCCCCNCCO TS40337 [1,1,0,0,0,0|0,0,1]=3 471 B9R0.45 CCCCCCOCC=C TS06762 [1,1,0,0,0,0|1,0,0]=3 472 B9R0.45 CCCCCCOCCO TS07250 [1,1,0,0,0,0|0,0,1]=3 473 B9R0.45 CCCCCCSCCCl TS14704 [1,1,0,0,0,0|1,0,1]=4 474 B9R0.45 CCCCCCSCCO TS42515 [1,1,0,0,0,0|0,0,1]=3 475 B9R0.45 CCCCCNCCC#N TS37425 [1,1,0,0,0,0|1,0,1]=4 476 B9R0.45 CCCCCNCCCC TS06893 [1,1,0,0,0,0|1,0,1]=4 477 B9R0.45 CCCCNCCCCO TS40341 [1,1,0,0,0,0|0,0,1]=3 478 B9R0.45 CNCCCCCCNC TS07026 [1,1,0,0,0,0|2,0,0]=4 479 B9R0.45 CSCCCCCCSC TS14288 [1,1,0,0,0,0|2,0,0]=4 480 B9R0.46 C(CCC(CO)O)CCO TS40640 [1,1,0,0,0,0|1,0,1]=4 481 B9R0.46 C=CCCCCC(CO)O TS06977 [1,1,0,0,0,0|2,0,0]=4 482 B9R0.46 CCC(C)CCCCC#C TS37234 [1,1,0,0,0,0|1,0,1]=4 483 B9R0.46 CCCCCCC(C)C=O TS02438 [1,1,0,0,0,0|0,0,0]=2 484 B9R0.46 CCCCCCC(C)CBr TS39157 [1,1,0,0,0,0|1,0,1]=4 485 B9R0.46 CCCCCCC(C)CC TS37670 [1,1,0,0,0,0|1,0,1]=4 486 B9R0.46 CCCCCCC(C=C)O TS06738 [1,1,0,0,0,0|1,0,0]=3 487 B9R0.46 CCCCCCC(CC)O TS40234 [1,1,0,0,0,0|1,0,1]=4 488 B9R0.46 CCCCCCC(CCl)Cl TS48396 [1,1,0,0,0,0|1,0,1]=4 489 B9R0.46 CCCCCCC(CO)O TS07249 [1,1,0,0,0,0|0,0,1]=3 490 B9R0.46 CCCCCC[C@@H](CO)O TS07255 [1,1,0,0,0,0|0,0,1]=3 491 B9R0.46 CCCCCC[C@H](CF)O TS07486 [1,1,0,0,0,0|1,0,1]=4 492 B9R0.46 CCCCCC[C@H](CO)O TS07254 [1,1,0,0,0,0|0,0,1]=3 493 B9R0.46 CC[C@H](C)CCCCCO TS40233 [1,1,0,0,0,0|0,0,1]=3 494 B9R0.46 COC(=O)CCCCC=O TS06941 [1,1,0,0,0,0|1,0,1]=4 495 B9R0.1 CCC(C)OCCC(=O)C TS06972 [1,1,0,0,0,0|2,0,0]=4 496 B9R0.1 COC(=O)CCCC(=O)O TS70778 [1,1,0,0,0,0|1,0,1]=4 497 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [1,1,0,0,0,0|1,0,1]=4 498 B9R0.4 CCCCC(C)CC(=O)O TS40195 [1,1,0,0,0,0|0,0,0]=2 499 B9R0.4 CCCCC(CC(=O)O)O TS40420 [1,1,0,0,0,0|0,0,0]=2 500 B9R0.4 CCCC[C@@H](C)CC(=O)O TS40197 [1,1,0,0,0,0|0,0,0]=2 501 B9R0.4 CCCC[C@H](C)CC(=O)O TS40208 [1,1,0,0,0,0|0,0,0]=2 502 B9R0.4 CSCC[C@@H](CC(=O)O)N TS37818 [1,1,0,0,0,0|1,0,0]=3 503 B9R0.38 CCCCCCC(C)(C)O TS40249 [1,1,0,0,0,0|1,0,1]=4 504 B9R0.38 CCCCCCN(=O)(C)C TS40338 [1,1,0,0,0,0|2,0,0]=4 505 B9R0.38 CCCCCCP(=O)(Cl)Cl TS38379 [1,1,0,0,0,0|2,0,0]=4 506 B9R0.38 CCCCCCP(=O)(O)O TS43019 [1,1,0,0,0,0|1,0,0]=3 507 B9R0.38 CCCCCCS(=O)(=O)Cl TS64995 [1,1,0,0,0,0|1,0,1]=4 508 B9R0.38 CCCCCCS(=O)(=O)[O-] TS50731 [1,1,0,0,0,0|1,0,1]=4 509 B9R0.47 C(CCBr)CC(C(=O)O)Br TS74394 [1,1,0,0,0,0|1,0,0]=3 510 B9R0.47 C(CCN)CC(C(=O)O)N TS39859 [1,1,0,0,0,0|1,0,0]=3 511 B9R0.47 C(CCN)CC(C(=O)O)N TS49566 [1,1,0,0,0,0|1,0,0]=3 512 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS01964 [1,1,0,0,0,0|1,0,0]=3 513 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS07239 [1,1,0,0,0,0|1,0,0]=3 514 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS16616 [1,1,0,0,0,0|1,0,0]=3 515 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS20155 [1,1,0,0,0,0|1,0,0]=3 516 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS34096 [1,1,0,0,0,0|1,0,0]=3 517 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS49563 [1,1,0,0,0,0|1,0,0]=3 518 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS54315 [1,1,0,0,0,0|1,0,0]=3 519 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS74520 [1,1,0,0,0,0|1,0,0]=3 520 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS92968 [1,1,0,0,0,0|1,0,0]=3 521 B9R0.47 C(CCN)C[C@H](C(=O)O)N TS07236 [1,1,0,0,0,0|1,0,0]=3 522 B9R0.47 C(CCO)CC(C(=O)O)N TS07321 [1,1,0,0,0,0|1,0,0]=3 523 B9R0.47 C(CCO)C[C@@H](C(=O)O)N TS40513 [1,1,0,0,0,0|1,0,0]=3 524 B9R0.47 C(COC[C@@H](C(=O)O)N)N TS15392 [1,1,0,0,0,0|2,0,0]=4 525 B9R0.47 C(CSC[C@@H](C(=O)O)N)N TS38025 [1,1,0,0,0,0|2,0,0]=4 526 B9R0.47 C(CSC[C@@H](C(=O)O)N)O TS42913 [1,1,0,0,0,0|2,0,0]=4 527 B9R0.47 C(CSC[C@H](C(=O)O)N)O TS42912 [1,1,0,0,0,0|2,0,0]=4 528 B9R0.47 C=CCCCC(C(=O)O)N TS06870 [1,1,0,0,0,0|0,0,2]=4 529 B9R0.47 C=CCCC[C@@H](C(=O)O)N TS06866 [1,1,0,0,0,0|0,0,2]=4 530 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [1,1,0,0,0,0|1,0,1]=4 531 B9R0.47 CCCCCC(C(=O)O)Br TS20690 [1,1,0,0,0,0|0,0,0]=2 532 B9R0.47 CCCCCC(C(=O)O)N TS07110 [1,1,0,0,0,0|0,0,0]=2 533 B9R0.47 CCCCCC(C)C(=O)O TS40214 [1,1,0,0,0,0|0,0,0]=2 534 B9R0.47 CCSCCC(C(=O)O)N TS39380 [1,1,0,0,0,0|1,0,0]=3 535 B9R0.47 CCSCC[C@@H](C(=O)O)N TS42612 [1,1,0,0,0,0|1,0,0]=3 536 B9R0.47 CCSCC[C@H](C(=O)O)N TS42611 [1,1,0,0,0,0|1,0,0]=3 537 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [1,1,0,0,0,0|1,0,1]=4 538 B9R0.48 CCCC(C)CCC(=O)C TS37638 [1,1,0,0,0,0|1,0,0]=3 539 B9R0.48 CCCC(C)COC(=O)C TS40203 [1,1,0,0,0,0|2,0,0]=4 540 B9R0.55 C(CCC(=O)O)CC(=O)O TS39878 [1,1,0,0,0,0|1,0,1]=4 541 B9R0.55 C(CCC(=O)O)CC(=O)O TS44512 [1,1,0,0,0,0|1,0,1]=4 542 B9R0.55 CC(=O)CCCCC(=O)O TS06938 [1,1,0,0,0,0|0,0,1]=3 543 B9R0.55 CC(=O)NCCCC(=O)O TS40285 [1,1,0,0,0,0|1,0,1]=4 544 B9R0.55 CC(C)CCCCC(=O)O TS65177 [1,1,0,0,0,0|0,0,0]=2 545 B9R0.55 CC(C)COCCC(=O)C TS06991 [1,1,0,0,0,0|2,0,0]=4 546 B9R0.55 CN(C)CCCCC(=O)O TS48163 [1,1,0,0,0,0|1,0,0]=3 547 B11R0.1 CCOC(=O)C[C@H](C)CC(=O)O TS45769 [0,2,0,0,0,0|1,0,1]=4 548 B11R0.1 CCOC(=O)C[C@H](CC(=O)O)O TS46044 [0,2,0,0,0,0|1,0,1]=4 549 B11R0.6 CC(=O)CC(=O)CCCC(=O)O TS45427 [0,2,0,0,0,0|0,0,2]=4 550 B11R0.6 CC(C)CCCC(C)CC(=O)O TS45515 [0,2,0,0,0,0|0,0,0]=2 551 B11R0.6 CC(CCC=C(C)C)CC(=O)O TS12855 [0,2,0,0,0,0|0,0,2]=4 552 B11R0.6 C[C@@H](CCC=C(C)C)CC(=O)O TS45168 [0,2,0,0,0,0|0,0,2]=4 553 B11R0.45 CCCC(CCOC(=O)C)SC TS51180 [0,2,0,0,0,0|2,0,0]=4 554 B11R0.141 CCNC(=O)CC[C@H](C(=O)O)N TS13503 [0,2,0,0,0,0|1,0,1]=4 555 B11R0.141 CCOC(=O)CC[C@@H](C(=O)O)N TS13652 [0,2,0,0,0,0|1,0,1]=4 556 B11R0.2 CCCCCCC(CC(=O)O)O TS45805 [0,2,0,0,0,0|0,0,0]=2 557 B11R0.2 CCCCCOC(=O)CC(=O)C TS13173 [0,2,0,0,0,0|1,0,1]=4 558 B11R0.30 C(CC(=O)O)CNCCC(=O)O TS13650 [0,2,0,0,0,0|1,0,1]=4 559 B11R0.30 C(CCC(=O)O)CCNC(=N)N TS45637 [0,2,0,0,0,0|1,0,1]=4 560 B11R0.30 C(CCCC(=O)Cl)CCC(=O)Cl TS43944 [0,2,0,0,0,0|1,0,1]=4 561 B11R0.30 C(CCCC(=O)O)CCC(=O)O TS39921 [0,2,0,0,0,0|0,0,1]=3 562 B11R0.30 CC(=O)NCCCCCC(=O)O TS13338 [0,2,0,0,0,0|0,0,1]=3 563 B11R0.30 CC(C)C=CCCCCC(=O)Cl TS16098 [0,2,0,0,0,0|1,0,1]=4 564 B11R0.30 CC(C)C=CCCCCC(=O)O TS45178 [0,2,0,0,0,0|0,0,1]=3 565 B11R0.30 CC(C)CCCCCCC(=O)O TS45506 [0,2,0,0,0,0|0,0,0]=2 566 B11R0.30 CC(C)CCCCCO[N+](=O)[O-] TS13703 [0,2,0,0,0,0|1,0,1]=4 567 B11R0.40 C(CCCC(CO)O)CCCO TS46147 [0,2,0,0,0,0|0,0,2]=4 568 B11R0.40 CCCCCC=CCC(=O)OC TS12844 [0,2,0,0,0,0|0,0,1]=3 569 B11R0.40 CCCCCCC#CC(=O)OC TS12565 [0,2,0,0,0,0|0,0,1]=3 570 B11R0.40 CCCCCCC=CC(=O)OC TS45171 [0,2,0,0,0,0|0,0,1]=3 571 B11R0.40 CCCCCCCCC(=O)CC TS12886 [0,2,0,0,0,0|1,0,0]=3 572 B11R0.40 CCCCCCCCC(=O)OC TS45510 [0,2,0,0,0,0|0,0,0]=2 573 B11R0.40 CCCCCCCCC(CC)O TS45539 [0,2,0,0,0,0|1,0,1]=4 574 B11R0.40 CCCCCCCCC(CO)O TS45836 [0,2,0,0,0,0|0,0,2]=4 575 B11R0.40 CCCCCCCC[C@@H](CO)O TS45841 [0,2,0,0,0,0|0,0,2]=4 576 B11R0.40 CCCCCCCC[C@H](CO)O TS45840 [0,2,0,0,0,0|0,0,2]=4 577 B11R0.40 CCCCOCCOC(=O)C=C TS13179 [0,2,0,0,0,0|2,0,0]=4 578 B11R0.42 C(CCNC=O)C[C@@H](C(=O)O)N TS45777 [0,2,0,0,0,0|1,0,1]=4 579 B11R0.42 CCCCCCCC(=O)N(C)C TS13053 [0,2,0,0,0,0|1,0,0]=3 580 B11R0.42 CCCCCCCC(C(=O)O)N TS13378 [0,2,0,0,0,0|0,0,0]=2 581 B11R0.42 CCCCCCCC(C(=O)O)O TS45806 [0,2,0,0,0,0|0,0,0]=2 582 B11R0.42 CCCCCCCC(C(C)C)O TS45538 [0,2,0,0,0,0|1,0,1]=4 583 B11R0.42 CCCCCCCC(C)C(=O)O TS45498 [0,2,0,0,0,0|0,0,0]=2 584 B11R0.42 CCCCCCC[C@@H](C(=O)O)N TS13377 [0,2,0,0,0,0|0,0,0]=2 585 B11R0.42 CCCCCCC[C@H](C(=O)O)N TS13376 [0,2,0,0,0,0|0,0,0]=2 586 B11R0.42 CCCCCCOC(=O)C(=C)C TS12846 [0,2,0,0,0,0|2,0,0]=4 587 B11R0.42 CCCCCCOC(=O)C(C)C TS45507 [0,2,0,0,0,0|2,0,0]=4 588 B11R0.42 CCCCSCCC(C(=O)O)N TS51353 [0,2,0,0,0,0|0,0,0]=2 589 B11R0.46 CCCCCC(C)CCC(=O)O TS13225 [0,2,0,0,0,0|0,0,0]=2 590 B11R0.46 CCCCCN(C)CCC(=O)O TS20826 [0,2,0,0,0,0|0,0,0]=2 591 B11R0.46 CCCCNC(=O)NCC(=O)O TS45774 [0,2,0,0,0,0|1,0,1]=4 592 B11R0.46 CCCCOC(=O)CCC(=O)C TS13190 [0,2,0,0,0,0|1,0,1]=4 593 B11R0.111 CC(C)CCCCCC(=O)OC TS13223 [0,2,0,0,0,0|0,0,0]=2 594 B11R0.148 B(C=CCCCCCCC)(O)O TS12749 [0,2,0,0,0,0|1,0,1]=4 595 B11R0.148 C(CCCCBr)CCCC(=O)O TS26010 [0,2,0,0,0,0|0,0,0]=2 596 B11R0.148 C(CCCCO)CCCC(=O)O TS45811 [0,2,0,0,0,0|0,0,0]=2 597 B11R0.148 C=CCCCCCCCC(=O)O TS12845 [0,2,0,0,0,0|0,0,0]=2 598 B11R0.148 CC(=O)OCCCCCCC=C TS12859 [0,2,0,0,0,0|1,0,1]=4 599 B11R0.148 CCCCC=CCCCC(=O)O TS45176 [0,2,0,0,0,0|0,0,0]=2 600 B11R0.148 CCCCCC=CCCC(=O)O TS45160 [0,2,0,0,0,0|0,0,0]=2 601 B11R0.148 CCCCCC=CCOC(=O)C TS45165 [0,2,0,0,0,0|1,0,1]=4 602 B11R0.148 CCCCCCCC=CC(=O)O TS12863 [0,2,0,0,0,0|0,0,0]=2 603 B11R0.148 CCCCCCCCCC(=C)C TS12605 [0,2,0,0,0,0|2,0,0]=4 604 B11R0.148 CCCCCCCCCC(=O)C TS45200 [0,2,0,0,0,0|1,0,0]=3 605 B11R0.148 CCCCCCCCCC(=O)N TS13057 [0,2,0,0,0,0|1,0,0]=3 606 B11R0.148 CCCCCCCCCC(=O)O TS45503 [0,2,0,0,0,0|0,0,0]=2 607 B11R0.148 CCCCCCCCCC(=O)[O-] TS69521 [0,2,0,0,0,0|0,0,1]=3 608 B11R0.148 CCCCCCCCCC(=O)[O-] TS84361 [0,2,0,0,0,0|0,0,1]=3 609 B11R0.148 CCCCCCCCCC(=O)[O-] TS92951 [0,2,0,0,0,0|0,0,1]=3 610 B11R0.148 CCCCCCCCNC(=S)N TS50807 [0,2,0,0,0,0|1,1,0]=4 611 B11R0.148 CCCCCCCCOC(=O)C TS45519 [0,2,0,0,0,0|1,0,0]=3 612 B11R0.148 CCCCCCCCOC(=O)Cl TS51574 [0,2,0,0,0,0|1,0,0]=3 613 B11R0.148 CCCCOCCOCC(=O)O TS46093 [0,2,0,0,0,0|0,0,0]=2 614 B11R0.148 CCCCOCCOCC(C)O TS46148 [0,2,0,0,0,0|1,0,1]=4 615 B11R0.148 CCOCCOCCOC(=O)C TS46094 [0,2,0,0,0,0|2,0,0]=4 616 B11R0.148 COCCOCCOCC(=O)O TS14166 [0,2,0,0,0,0|1,0,0]=3 617 B11R0.159 CCCCCCCCP(=O)(Cl)Cl TS25025 [0,2,0,0,0,0|2,0,0]=4 618 B11R0.159 CCCCCCCCP(=O)(O)O TS17833 [0,2,0,0,0,0|1,0,0]=3 619 B11R0.159 CCCCCCCCS(=O)(=O)Cl TS44278 [0,2,0,0,0,0|1,0,1]=4 620 B11R0.159 CCCCCCCCS(=O)(=O)O TS17934 [0,2,0,0,0,0|1,0,0]=3 621 B11R0.159 CCCCCCCCS(=O)(=O)[O-] TS22083 [0,2,0,0,0,0|1,0,1]=4 622 B11R0.176 C(CCC(=O)O)CC(CCS)S TS20641 [0,2,0,0,0,0|0,0,0]=2 623 B11R0.176 CCOC(=O)CCCCC(=O)O TS39880 [0,2,0,0,0,0|0,0,1]=3 624 B11R0.77 CCCCCC(C=C)OC(=O)C TS45166 [0,2,0,0,0,0|2,0,0]=4 625 B11R0.77 CCCCCC(CC)OC(=O)C TS13220 [0,2,0,0,0,0|2,0,0]=4 626 B11R0.107 CCC(C)CCC(C)CC(=O)O TS13222 [0,2,0,0,0,0|0,0,0]=2 627 B11R0.154 CCCCCC(CC(=O)OC)O TS45807 [0,2,0,0,0,0|0,0,0]=2 628 B11R0.324 CCCCCC(C)(C)CC(=O)O TS13221 [0,2,0,0,0,0|0,0,0]=2 629 B11R0.31 CC(C)(C)CCCCCC(=O)Cl TS51218 [0,2,0,0,0,0|1,0,0]=3 630 B11R0.31 CC(C)(C)CCCCCC(=O)O TS45511 [0,2,0,0,0,0|0,0,0]=2 631 B11R0.31 CC(C)(C)CCCCCC(=O)[O-] TS34077 [0,2,0,0,0,0|0,0,1]=3 632 B11R0.31 CC(C)(C)CCCCCC(=O)[O-] TS74970 [0,2,0,0,0,0|0,0,1]=3 633 B11R0.31 CC(C)(C)CCCCCC(=O)[O-] TS80448 [0,2,0,0,0,0|0,0,1]=3 634 B11R0.31 CC(C)(C)CCCCCC(=O)[O-] TS81936 [0,2,0,0,0,0|0,0,1]=3 635 B11R0.31 CC(C)(C)CCCCCC(=O)[O-] TS84582 [0,2,0,0,0,0|0,0,1]=3 636 B11R0.29 CC(=N)NCCC[C@@H](C(=O)O)N TS20820 [0,2,0,0,0,0|1,0,1]=4 637 B11R0.29 CC(C)CCSC[C@H](C(=O)O)N TS51352 [0,2,0,0,0,0|1,0,0]=3 638 B11R0.29 CN(C)CCCC[C@@H](C(=O)O)N TS21051 [0,2,0,0,0,0|1,0,0]=3 639 B11R0.106 COC(=O)CCCCC(=O)OC TS39849 [0,2,0,0,0,0|1,0,1]=4 640 B11R0.106 COC(=O)CCCCC(=O)OC TS82950 [0,2,0,0,0,0|1,0,1]=4 641 B11R0.109 COC(=O)CCC[C@@H](C(=O)O)N TS44071 [0,2,0,0,0,0|1,0,1]=4 642 B11R0.4 CCCC=CCCC(=O)OCC TS12853 [0,2,0,0,0,0|0,0,2]=4 643 B11R0.4 CCCCCC#CC(=O)OCC TS44904 [0,2,0,0,0,0|0,0,2]=4 644 B11R0.4 CCCCCC=CC(=O)OCC TS12851 [0,2,0,0,0,0|0,0,2]=4 645 B11R0.4 CCCCCCCC(=O)OCC TS45501 [0,2,0,0,0,0|0,0,0]=2 646 B11R0.4 CCCCCCCC(CCC)O TS45536 [0,2,0,0,0,0|1,0,1]=4 647 B11R0.4 CCCCCCOC(=O)CCC TS45526 [0,2,0,0,0,0|2,0,0]=4 648 B11R0.4 CCOC(=O)CCCCCCBr TS26009 [0,2,0,0,0,0|1,0,0]=3 649 B11R0.4 CCOC(=O)CCCCCCN TS20825 [0,2,0,0,0,0|1,0,0]=3 650 B11R0.4 CCOC(=O)CCCCCCN TS45672 [0,2,0,0,0,0|1,0,0]=3 651 B11R0.124 CCCCCCCC(OC)OC TS45843 [0,2,0,0,0,0|0,0,2]=4 652 B11R0.142 CCCCCCC(C(=O)OC)Br TS26013 [0,2,0,0,0,0|0,0,0]=2 653 B11R0.142 CCCCCCC(C)C(=O)OC TS45513 [0,2,0,0,0,0|0,0,0]=2 654 B11R0.142 CCCCNCC(C)C(=O)OC TS13375 [0,2,0,0,0,0|1,0,0]=3 655 B11R0.125 CC(C)(CCCCC=C)C(=O)O TS45153 [0,2,0,0,0,0|0,0,2]=4 656 B11R0.163 CCCCC(C)CC(C)C(=O)O TS45514 [0,2,0,0,0,0|0,0,0]=2 657 B11R0.164 CCCCC(CC)C=CC(=O)O TS12857 [0,2,0,0,0,0|0,0,2]=4 658 B11R0.164 CCCCC(CC)CCC(=O)O TS45523 [0,2,0,0,0,0|0,0,0]=2 659 B11R0.164 CCCCC(CC)CCC(C)O TS45544 [0,2,0,0,0,0|1,0,1]=4 660 B11R0.164 CCCCC(CC)COC(=O)C TS45508 [0,2,0,0,0,0|2,0,0]=4 661 B11R0.164 CCCCC(CC)COC(=O)Cl TS51575 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [1,0,0,1,0,0|2,0,0]=4 663 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [1,0,0,1,0,0|2,0,0]=4 664 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [1,0,0,1,0,0|2,0,0]=4 665 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [1,0,0,1,0,0|2,0,0]=4 666 B9R1.5 C1CC[C@@H]([C@H](CC1)O)O TS05544 [1,0,0,1,0,0|1,0,1]=4 667 B9R1.5 C1CC[C@H]([C@@H](CC1)O)O TS05561 [1,0,0,1,0,0|1,0,1]=4 668 B9R1.5 CN1CCCCCC1=O TS36239 [1,0,0,1,0,0|1,0,0]=3 669 B9R1.5 CN1CCCNCC1=O TS05356 [1,0,0,1,0,0|2,0,0]=4 670 B9R1.8 C#CCC1CCCCC1 TS32527 [1,0,0,1,0,0|1,0,1]=4 671 B9R1.8 C1CC(CNC1)CCO TS32945 [1,0,0,1,0,0|1,0,1]=4 672 B9R1.8 C1CCC(CC1)CC#N TS34561 [1,0,0,1,0,0|1,0,1]=4 673 B9R1.8 C1CCC(CC1)CCBr TS17234 [1,0,0,1,0,0|1,0,1]=4 674 B9R1.8 C1CCC(CC1)CCN TS11778 [1,0,0,1,0,0|1,0,1]=4 675 B9R1.8 C1CCC(CC1)CCN TS36254 [1,0,0,1,0,0|1,0,1]=4 676 B9R1.8 C1CCC(CC1)CNN TS11969 [1,0,0,1,0,0|2,0,0]=4 677 B9R1.8 C1CCC(CC1)CNN TS36365 [1,0,0,1,0,0|2,0,0]=4 678 B9R1.8 C1CCC(CC1)CON TS05475 [1,0,0,1,0,0|2,0,0]=4 679 B9R1.8 C1CCC(CC1)N=C=O TS22947 [1,0,0,1,0,0|1,0,1]=4 680 B9R1.8 C1CCC(CC1)NC=O TS05278 [1,0,0,1,0,0|1,0,0]=3 681 B9R1.8 C1CCC(CC1)OC=O TS05353 [1,0,0,1,0,0|1,0,0]=3 682 B9R1.8 C1CCN(CC1)CCO TS05482 [1,0,0,1,0,0|1,0,1]=4 683 B9R1.8 C1CCNC(C1)CCO TS02459 [1,0,0,1,0,0|1,0,1]=4 684 B9R1.8 C1CCOC(C1)CCN TS05479 [1,0,0,1,0,0|1,0,1]=4 685 B9R1.8 C1CNCCC1CCO TS71281 [1,0,0,1,0,0|1,0,1]=4 686 B9R1.8 C1COCCC1CC=O TS88204 [1,0,0,1,0,0|1,0,0]=3 687 B9R1.8 C1COCCC1CCO TS60058 [1,0,0,1,0,0|1,0,1]=4 688 B9R1.8 C=CCC1CCCCC1 TS05041 [1,0,0,1,0,0|1,0,0]=3 689 B9R1.8 C=CCC1CCCCC1 TS15012 [1,0,0,1,0,0|1,0,0]=3 690 B9R1.8 C=CCN1CCCCC1 TS05115 [1,0,0,1,0,0|2,0,0]=4 691 B9R1.8 C=COC1CCCCC1 TS05195 [1,0,0,1,0,0|2,0,0]=4 692 B9R1.8 CCCC1CCCCC1 TS36184 [1,0,0,1,0,0|1,0,1]=4 693 B9R1.8 CCCC1CCCCN1 TS02180 [1,0,0,1,0,0|1,0,1]=4 694 B9R1.8 CCCC1CCCCN1 TS11779 [1,0,0,1,0,0|1,0,1]=4 695 B9R1.8 CCCC1CCCCO1 TS05388 [1,0,0,1,0,0|0,0,1]=3 696 B9R1.8 CCOC1CCC=CO1 TS36292 [1,0,0,1,0,0|1,0,1]=4 697 B9R1.8 CNCC1CCCCO1 TS36422 [1,0,0,1,0,0|1,0,1]=4 698 B9R1.12 C1CCN(C1)CCCO TS36426 [1,0,0,1,0,0|1,0,1]=4 699 B9R1.12 C=CCNC1CCCC1 TS05116 [1,0,0,1,0,0|2,0,0]=4 700 B9R1.12 CCCCC1CCCC1 TS36178 [1,0,0,1,0,0|1,0,1]=4 701 B9R1.12 CCCCC1CCCC1 TS61460 [1,0,0,1,0,0|1,0,1]=4 702 B9R1.12 CCCCC1CCCC1 TS66426 [1,0,0,1,0,0|1,0,1]=4 703 B9R1.12 CCCCC1CCCC1 TS71915 [1,0,0,1,0,0|1,0,1]=4 704 B9R1.12 CCCCC1CCCC1 TS81233 [1,0,0,1,0,0|1,0,1]=4 705 B9R1.12 CCCCC1CCCC1 TS81832 [1,0,0,1,0,0|1,0,1]=4 706 B9R1.12 CCCCC1CCCC1 TS83585 [1,0,0,1,0,0|1,0,1]=4 707 B9R1.12 CCOCC1CCCO1 TS36503 [1,0,0,1,0,0|1,0,1]=4 708 B9R1.14 CC[C@@H]1CCC[C@H]1CC TS05207 [1,0,0,1,0,0|1,0,1]=4 709 B9R1.14 COC1CCCN1C=O TS36413 [1,0,0,1,0,0|2,0,0]=4 710 B9R1.15 C1CCC(=O)C(C1)C#N TS04966 [1,0,0,1,0,0|1,0,1]=4 711 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O TS59456 [1,0,0,1,0,0|1,0,1]=4 712 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N TS12117 [1,0,0,1,0,0|1,0,1]=4 713 B9R1.15 C1CC[C@H]([C@H](C1)CN)O TS12116 [1,0,0,1,0,0|1,0,1]=4 714 B9R1.15 C1CC[C@H]([C@H](C1)CO)N TS12118 [1,0,0,1,0,0|1,0,1]=4 715 B9R1.15 CC=C1CCCCC1=O TS36005 [1,0,0,1,0,0|0,0,2]=4 716 B9R1.15 CCC1C(=O)NCCN1 TS05358 [1,0,0,1,0,0|2,0,0]=4 717 B9R1.15 CC[C@@H]1CCCC[C@@H]1C TS05230 [1,0,0,1,0,0|1,0,1]=4 718 B9R1.15 CC[C@@H]1CCCC[C@H]1C TS05214 [1,0,0,1,0,0|1,0,1]=4 719 B9R1.15 CN1CCCCC1CO TS46982 [1,0,0,1,0,0|1,0,1]=4 720 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94624 [1,0,0,1,0,0|1,0,1]=4 721 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94625 [1,0,0,1,0,0|1,0,1]=4 722 B9R1.15 COC1CCCCC1=O TS05343 [1,0,0,1,0,0|1,0,0]=3 723 B9R1.15 COC1CCCNC1=O TS00160 [1,0,0,1,0,0|2,0,0]=4 724 B9R1.15 COC1COCCC1=O TS87427 [1,0,0,1,0,0|2,0,0]=4 725 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [1,0,0,1,0,0|1,0,0]=3 726 B9R1.15 CO[C@H]1CCCC[C@@H]1O TS05565 [1,0,0,1,0,0|1,0,1]=4 727 B9R1.15 CSC1CCCCC1=O TS40228 [1,0,0,1,0,0|1,0,0]=3 728 B9R1.33 C1CC(=O)N(C1)CCO TS36418 [1,0,0,1,0,0|2,0,0]=4 729 B9R1.33 CCCN1CCCC1=O TS05280 [1,0,0,1,0,0|1,0,0]=3 730 B9R1.33 CN1CCCC1CCO TS16652 [1,0,0,1,0,0|1,0,1]=4 731 B9R1.50 C1CCCC(CCC1)Br TS17235 [1,0,0,1,0,0|1,0,1]=4 732 B9R1.50 C1CCCNC(=O)CC1 TS05275 [1,0,0,1,0,0|1,0,0]=3 733 B9R1.50 CC1=CCCCCCC1 TS05043 [1,0,0,1,0,0|1,0,1]=4 734 B9R1.50 CC1CCCCCC=C1 TS05055 [1,0,0,1,0,0|1,0,0]=3 735 B9R1.50 CC1CCCCCCC1 TS05222 [1,0,0,1,0,0|1,0,1]=4 736 B9R1.83 C=CCCCCC1CO1 TS36159 [1,0,0,1,0,0|2,0,0]=4 737 B9R1.83 CCCCCCC1CO1 TS05397 [1,0,0,1,0,0|0,0,1]=3 738 B9R1.83 CCCCCC[C@@H]1CO1 TS05392 [1,0,0,1,0,0|0,0,1]=3 739 B9R1.83 CCCCOCC1CO1 TS36506 [1,0,0,1,0,0|1,0,1]=4 740 B9R1.89 C1CCCC(=NO)CC1 TS05273 [1,0,0,1,0,0|1,0,1]=4 741 B9R1.89 C1CCCC(CC1)C#N TS04981 [1,0,0,1,0,0|1,0,1]=4 742 B9R1.89 C1CCCC(CC1)C=O TS05193 [1,0,0,1,0,0|0,0,0]=2 743 B9R1.89 C1CCCC(CC1)CI TS26149 [1,0,0,1,0,0|1,0,1]=4 744 B9R1.89 C1CCCC(CC1)CN TS01403 [1,0,0,1,0,0|1,0,1]=4 745 B9R1.89 C1CCCC(CC1)CO TS05384 [1,0,0,1,0,0|0,0,1]=3 746 B9R1.89 C1CCCC(CC1)NN TS11968 [1,0,0,1,0,0|2,0,0]=4 747 B9R1.89 C1CCCN(CC1)N=O TS05357 [1,0,0,1,0,0|2,0,0]=4 748 B9R1.89 C1CNCCN(C1)C=O TS02107 [1,0,0,1,0,0|2,0,0]=4 749 B9R1.89 CC=C1CCCCCC1 TS05056 [1,0,0,1,0,0|1,0,1]=4 750 B9R1.2 CCN1CCCC(=O)C1 TS11774 [1,0,0,1,0,0|2,0,0]=4 751 B9R1.2 CCN1CCCC(=O)C1 TS36243 [1,0,0,1,0,0|2,0,0]=4 752 B9R1.6 B(C1CCCCC1)(O)O TS85497 [1,0,0,1,0,0|1,0,1]=4 753 B9R1.6 C1CC(CC=C1)C(=O)O TS02731 [1,0,0,1,0,0|0,0,2]=4 754 B9R1.6 C1CC(CNC1)C(=O)N TS05362 [1,0,0,1,0,0|2,0,0]=4 755 B9R1.6 C1CC(CNC1)C(=O)N TS11963 [1,0,0,1,0,0|2,0,0]=4 756 B9R1.6 C1CC(CNC1)C(=O)O TS05456 [1,0,0,1,0,0|1,0,0]=3 757 B9R1.6 C1CC(CNC1)C(=O)O TS94707 [1,0,0,1,0,0|1,0,0]=3 758 B9R1.6 C1CC(COC1)C(=O)O TS02098 [1,0,0,1,0,0|1,0,0]=3 759 B9R1.6 C1CC(CSC1)C(=O)O TS91315 [1,0,0,1,0,0|1,0,0]=3 760 B9R1.6 C1CC(NNC1)C(=O)O TS36476 [1,0,0,1,0,0|2,0,0]=4 761 B9R1.6 C1CCC(=CC1)C(=O)O TS05156 [1,0,0,1,0,0|0,0,2]=4 762 B9R1.6 C1CCC(CC1)C(=O)Cl TS07288 [1,0,0,1,0,0|1,0,0]=3 763 B9R1.6 C1CCC(CC1)C(=O)N TS00205 [1,0,0,1,0,0|1,0,0]=3 764 B9R1.6 C1CCC(CC1)C(=O)[O-] TS40838 [1,0,0,1,0,0|0,0,1]=3 765 B9R1.6 C1CCC(CC1)[N+](=O)[O-] TS56408 [1,0,0,1,0,0|1,0,1]=4 766 B9R1.6 C1CCN(CC1)C(=O)Cl TS07390 [1,0,0,1,0,0|2,0,0]=4 767 B9R1.6 C1CCN(CC1)C(=O)O TS05459 [1,0,0,1,0,0|1,0,0]=3 768 B9R1.6 C1CCNC(C1)C(=O)N TS59354 [1,0,0,1,0,0|2,0,0]=4 769 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [1,0,0,1,0,0|1,0,0]=3 770 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [1,0,0,1,0,0|1,0,0]=3 771 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [1,0,0,1,0,0|1,0,0]=3 772 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [1,0,0,1,0,0|1,0,0]=3 773 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [1,0,0,1,0,0|1,0,0]=3 774 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [1,0,0,1,0,0|1,0,0]=3 775 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [1,0,0,1,0,0|1,0,0]=3 776 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [1,0,0,1,0,0|1,0,0]=3 777 B9R1.6 C1CNC(CN1)C(=O)O TS02457 [1,0,0,1,0,0|2,0,0]=4 778 B9R1.6 C1CNCCC1C(=O)N TS59356 [1,0,0,1,0,0|2,0,0]=4 779 B9R1.6 C1CNCCC1C(=O)O TS42979 [1,0,0,1,0,0|1,0,0]=3 780 B9R1.6 C1CNCCC1C(=O)O TS71280 [1,0,0,1,0,0|1,0,0]=3 781 B9R1.6 C1CN[C@@H](CN1)C(=O)O TS08013 [1,0,0,1,0,0|2,0,0]=4 782 B9R1.6 C1CN[C@@H](CN1)C(=O)O TS60186 [1,0,0,1,0,0|2,0,0]=4 783 B9R1.6 C1CN[C@H](CN1)C(=O)O TS88452 [1,0,0,1,0,0|2,0,0]=4 784 B9R1.6 C1COC(CN1)C(=O)O TS56326 [1,0,0,1,0,0|2,0,0]=4 785 B9R1.6 C1COC(CO1)C(=O)O TS36638 [1,0,0,1,0,0|2,0,0]=4 786 B9R1.6 C1COCC(N1)C(=O)O TS86226 [1,0,0,1,0,0|2,0,0]=4 787 B9R1.6 C1COCCC1C(=O)Cl TS59428 [1,0,0,1,0,0|2,0,0]=4 788 B9R1.6 C1COCCC1C(=O)O TS05526 [1,0,0,1,0,0|1,0,0]=3 789 B9R1.6 C1COC[C@@H](N1)C(=O)O TS88818 [1,0,0,1,0,0|2,0,0]=4 790 B9R1.6 C1COC[C@H](N1)C(=O)O TS90682 [1,0,0,1,0,0|2,0,0]=4 791 B9R1.6 C1CO[C@@H](CN1)C(=O)O TS00324 [1,0,0,1,0,0|2,0,0]=4 792 B9R1.6 C1CSC(SC1)C(=O)O TS11925 [1,0,0,1,0,0|2,0,0]=4 793 B9R1.6 C1CSCC(N1)C(=O)O TS07364 [1,0,0,1,0,0|2,0,0]=4 794 B9R1.6 C1CSCC(N1)C(=O)O TS15194 [1,0,0,1,0,0|2,0,0]=4 795 B9R1.6 C1CSCCC1C(=O)O TS89293 [1,0,0,1,0,0|1,0,0]=3 796 B9R1.6 C1CSC[C@H](N1)C(=O)O TS07358 [1,0,0,1,0,0|2,0,0]=4 797 B9R1.6 C1C[C@@H](CC=C1)C(=O)O TS36128 [1,0,0,1,0,0|0,0,2]=4 798 B9R1.6 C1C[C@@H](CNC1)C(=O)N TS85892 [1,0,0,1,0,0|2,0,0]=4 799 B9R1.6 C1C[C@@H](CNC1)C(=O)N TS90971 [1,0,0,1,0,0|2,0,0]=4 800 B9R1.6 C1C[C@@H](CNC1)C(=O)O TS46667 [1,0,0,1,0,0|1,0,0]=3 801 B9R1.6 C1C[C@H](CC=C1)C(=O)O TS90359 [1,0,0,1,0,0|0,0,2]=4 802 B9R1.6 C1C[C@H](CNC1)C(=O)N TS89106 [1,0,0,1,0,0|2,0,0]=4 803 B9R1.6 C1C[C@H](CNC1)C(=O)N TS90970 [1,0,0,1,0,0|2,0,0]=4 804 B9R1.6 C1C[C@H](CNC1)C(=O)O TS00308 [1,0,0,1,0,0|1,0,0]=3 805 B9R1.6 C1C[C@H](CNC1)C(=O)O TS59489 [1,0,0,1,0,0|1,0,0]=3 806 B9R1.6 CC(=O)C1CCCCC1 TS05176 [1,0,0,1,0,0|1,0,0]=3 807 B9R1.6 CC(=O)C1CCCCN1 TS59502 [1,0,0,1,0,0|2,0,0]=4 808 B9R1.6 CC(=O)N1CCCCC1 TS05281 [1,0,0,1,0,0|2,0,0]=4 809 B9R1.6 CC(C1CCCCC1)O TS36346 [1,0,0,1,0,0|1,0,1]=4 810 B9R1.7 CCCC1CCC(=O)O1 TS36311 [1,0,0,1,0,0|0,0,0]=2 811 B9R1.7 COC[C@@H]1COC(=O)O1 TS36637 [1,0,0,1,0,0|2,0,0]=4 812 B9R1.7 COC[C@H]1CNC(=O)O1 TS05647 [1,0,0,1,0,0|2,0,0]=4 813 B9R1.7 COC[C@H]1COC(=O)O1 TS05704 [1,0,0,1,0,0|2,0,0]=4 814 B9R1.13 C1CCC(C1)CC(=O)Cl TS07289 [1,0,0,1,0,0|1,0,0]=3 815 B9R1.13 C1CCC(C1)CC(=O)O TS27085 [1,0,0,1,0,0|0,0,0]=2 816 B9R1.13 C1CCC(C1)OC(=O)Cl TS16795 [1,0,0,1,0,0|2,0,0]=4 817 B9R1.13 C1CNCC1CC(=O)O TS86561 [1,0,0,1,0,0|1,0,0]=3 818 B9R1.13 C1CNC[C@@H]1CC(=O)O TS91621 [1,0,0,1,0,0|1,0,0]=3 819 B9R1.13 C1CNC[C@H]1CC(=O)O TS88661 [1,0,0,1,0,0|1,0,0]=3 820 B9R1.13 C1C[C@@H](NC1)CC(=O)O TS91258 [1,0,0,1,0,0|1,0,0]=3 821 B9R1.13 C1C[C@H](NC1)CC(=O)O TS36411 [1,0,0,1,0,0|1,0,0]=3 822 B9R1.13 CC(=O)CC1CCCC1 TS05185 [1,0,0,1,0,0|1,0,0]=3 823 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O TS59460 [1,0,0,1,0,0|2,0,0]=4 824 B9R1.41 C1CN[C@H]([C@H]1O)C(=O)O TS05633 [1,0,0,1,0,0|2,0,0]=4 825 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS36408 [1,0,0,1,0,0|1,0,0]=3 826 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS85102 [1,0,0,1,0,0|1,0,0]=3 827 B9R1.41 C1C[C@H]([C@H](C1)O)C(=O)N TS36404 [1,0,0,1,0,0|2,0,0]=4 828 B9R1.41 CN1CCC[C@H]1C(=O)O TS01601 [1,0,0,1,0,0|1,0,0]=3 829 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O TS46518 [1,0,0,1,0,0|1,0,0]=3 830 B9R1.48 C1CCC(=O)OC(=O)C1 TS36278 [1,0,0,1,0,0|1,0,1]=4 831 B9R1.84 C1CC(C1)CC[N+](=O)[O-] TS36397 [1,0,0,1,0,0|1,0,1]=4 832 B9R1.148 CC1(CCCCCC1)O TS05376 [1,0,0,1,0,0|1,0,1]=4 833 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)O1 TS10952 [0,1,0,1,0,0|1,0,1]=4 834 B11R1.90 C1CC(=O)N(C1)CCC(=O)O TS10846 [0,1,0,1,0,0|1,0,1]=4 835 B11R1.172 C1CCN(C1)CCCC(=O)O TS10866 [0,1,0,1,0,0|0,0,0]=2 836 B11R1.24 CCCCC1CCCC(=O)O1 TS10721 [0,1,0,1,0,0|0,0,0]=2 837 B11R1.27 CCCCCC1OCC(O1)C TS11037 [0,1,0,1,0,0|1,0,1]=4 838 B11R1.53 C1CC[C@@H]([C@H](C1)CO)C(=O)N TS10861 [0,1,0,1,0,0|1,0,0]=3 839 B11R1.53 CCN1CCCCC1C(=O)O TS00438 [0,1,0,1,0,0|0,0,0]=2 840 B11R1.53 CCN1CCCCC1C(=O)O TS10863 [0,1,0,1,0,0|0,0,0]=2 841 B11R1.78 CCCCCCC1CC(=O)O1 TS41639 [0,1,0,1,0,0|0,0,0]=2 842 B11R1.86 CC1CCCCC1OC(=O)C TS41647 [0,1,0,1,0,0|1,0,0]=3 843 B11R1.91 C1CCC(CC1)C=CC(=O)O TS41400 [0,1,0,1,0,0|0,0,1]=3 844 B11R1.91 C1CCN(CC1)CCC(=O)N TS10729 [0,1,0,1,0,0|1,0,0]=3 845 B11R1.91 C1CCN(CC1)CCC(=O)O TS10871 [0,1,0,1,0,0|0,0,0]=2 846 B11R1.91 C1CCNC(C1)CCC(=O)O TS02885 [0,1,0,1,0,0|0,0,0]=2 847 B11R1.91 C1CNC(CN1)CCC(=O)O TS11001 [0,1,0,1,0,0|1,0,0]=3 848 B11R1.91 C1CNCCC1CCC(=O)O TS00525 [0,1,0,1,0,0|0,0,0]=2 849 B11R1.91 C1CNCCC1OCC(=O)O TS42025 [0,1,0,1,0,0|1,0,0]=3 850 B11R1.99 CCCCCCCCC1CO1 TS10750 [0,1,0,1,0,0|1,0,1]=4 851 B11R1.99 CCCCCCCC[C@@H]1CO1 TS41692 [0,1,0,1,0,0|1,0,1]=4 852 B11R1.99 CCCCCCOC[C@H]1CO1 TS11040 [0,1,0,1,0,0|1,0,1]=4 853 B11R1.101 C1CCCCC(=O)CCCC1 TS59759 [0,1,0,1,0,0|1,0,0]=3 854 B11R1.101 C1CCCCC(CCCC1)O TS10745 [0,1,0,1,0,0|1,0,1]=4 855 B11R1.193 C=CCN1CCCC1C(=O)O TS51378 [0,1,0,1,0,0|0,0,2]=4 856 B11R1.706 CC(=C1CCCCCCC1)C TS41203 [0,1,0,1,0,0|2,0,0]=4 857 B11R1.77 C1CCC(C1)C(CC(=O)O)N TS10869 [0,1,0,1,0,0|0,0,0]=2 858 B11R1.230 CCCCC1C(CC(=O)O1)C TS41641 [0,1,0,1,0,0|0,0,0]=2 859 B11R1.928 C1CCC(CC1)(CC(=O)O)O TS46967 [0,1,0,1,0,0|0,0,0]=2 860 B11R1.928 C1CCC(CC1)(C[N+](=O)[O-])O TS11119 [0,1,0,1,0,0|1,0,1]=4 861 B11R1.509 C1CCC(CC1)NS(=O)(=O)O TS47767 [0,1,0,1,0,0|2,0,0]=4 862 B11R1.509 CC(C)(CC1CCCCC1)O TS41693 [0,1,0,1,0,0|1,0,1]=4 863 B11R1.509 CP(=O)(O)OC1CCCCC1 TS14157 [0,1,0,1,0,0|2,0,0]=4 864 B11R1.20 C1CS(=O)CCN1CC(=O)O TS46288 [0,1,0,1,0,0|2,0,0]=4 865 B11R1.20 CC(=O)NC1CCC(CC1)O TS10867 [0,1,0,1,0,0|2,0,0]=4 866 B11R1.20 CC1CCC(CC1)OC(=O)C TS41644 [0,1,0,1,0,0|2,0,0]=4 867 B11R1.20 CN1CCC(CC1)CC(=O)O TS88091 [0,1,0,1,0,0|1,0,0]=3 868 B11R1.20 CN1CCN(CC1)CC(=O)O TS71228 [0,1,0,1,0,0|2,0,0]=4 869 B11R1.20 C[C@H]1CC[C@@H](CC1)CC(=O)O TS41634 [0,1,0,1,0,0|0,0,0]=2 870 B11R1.266 CCN1CCCC(C1)C(=O)O TS10862 [0,1,0,1,0,0|1,0,0]=3 871 B11R1.266 COC1CCNC(C1)C(=O)O TS42021 [0,1,0,1,0,0|2,0,0]=4 872 B11R1.1 CCCCC1CCC(=O)CC1 TS10476 [0,1,0,1,0,0|1,0,0]=3 873 B11R1.1 CCCCC1CCC(CC1)O TS41689 [0,1,0,1,0,0|1,0,1]=4 874 B11R1.1 CCCCN1CCC(=O)CC1 TS10602 [0,1,0,1,0,0|2,0,0]=4 875 B11R1.40 C1CCC(CC1)C=C(CO)Br TS22544 [0,1,0,1,0,0|1,0,1]=4 876 B11R1.40 C1CCC(CC1)C[C@@H](CO)N TS33129 [0,1,0,1,0,0|1,0,1]=4 877 B11R1.40 C1CCC(CC1)NC(=O)CCl TS46019 [0,1,0,1,0,0|2,0,0]=4 878 B11R1.40 C1CCC(CC1)NC(=O)CN TS39645 [0,1,0,1,0,0|2,0,0]=4 879 B11R1.40 C1CCC(CC1)NC(=O)CN TS41668 [0,1,0,1,0,0|2,0,0]=4 880 B11R1.40 C1CCC(CC1)NC(=O)NN TS10884 [0,1,0,1,0,0|2,0,0]=4 881 B11R1.40 C1CCC(CC1)OC(=O)CCl TS46197 [0,1,0,1,0,0|2,0,0]=4 882 B11R1.40 C=CC(=O)NC1CCCCC1 TS41301 [0,1,0,1,0,0|2,0,0]=4 883 B11R1.40 C=CC(=O)OC1CCCCC1 TS41402 [0,1,0,1,0,0|2,0,0]=4 884 B11R1.40 CCC(=O)OC1CCCCC1 TS41643 [0,1,0,1,0,0|2,0,0]=4 885 B11R1.40 COC(=O)CC1CCNCC1 TS16617 [0,1,0,1,0,0|1,0,0]=3 886 B11R1.40 COC(=O)CC1CCNCC1 TS17744 [0,1,0,1,0,0|1,0,0]=3 887 B11R1.40 COC(=O)CC1CNCCN1 TS53129 [0,1,0,1,0,0|2,0,0]=4 888 B11R1.40 COC(=O)CC1CNCCO1 TS42031 [0,1,0,1,0,0|2,0,0]=4 889 B11R1.40 COC(=O)CC1COCCN1 TS42032 [0,1,0,1,0,0|2,0,0]=4 890 B11R1.40 COC(=O)CN1CCOCC1 TS42034 [0,1,0,1,0,0|2,0,0]=4 891 B11R1.54 CCC1CCCCC1(CC)O TS10758 [0,1,0,1,0,0|1,0,1]=4 892 B11R1.59 CCN1CCCC1C(=O)NC TS41666 [0,1,0,1,0,0|2,0,0]=4 893 B11R1.59 CCN1CCCC1C(=O)OC TS41796 [0,1,0,1,0,0|1,0,0]=3 894 B11R1.222 CN1CCCCC1C(=O)OC TS41788 [0,1,0,1,0,0|1,0,0]=3 895 B11R1.222 COC(=O)C1CCCCC1=O TS10671 [0,1,0,1,0,0|1,0,1]=4 896 B11R1.222 C[C@H]1[C@@H](CCCN1)C(=O)OC TS10875 [0,1,0,1,0,0|1,0,0]=3 897 B11R1.222 C[C@H]1[C@H](CCCN1)C(=O)OC TS10864 [0,1,0,1,0,0|1,0,0]=3 898 B11R1.852 C1CCCN(CC1)C(=O)CCl TS46021 [0,1,0,1,0,0|2,0,0]=4 899 B11R1.852 COC(=O)C1CCCNCC1 TS90179 [0,1,0,1,0,0|1,0,0]=3 900 B11R1.35 C1CC=C(C1)CC(C(=O)O)N TS10586 [0,1,0,1,0,0|0,0,2]=4 901 B11R1.35 C1CCC(C1)CC(C(=O)O)N TS41790 [0,1,0,1,0,0|0,0,0]=2 902 B11R1.35 C=C(CN1CCCC1)C(=O)O TS41516 [0,1,0,1,0,0|1,0,1]=4 903 B11R1.36 C1CC(CC=C1)C(C(=O)O)N TS10587 [0,1,0,1,0,0|0,0,2]=4 904 B11R1.36 C1CC(CNC1)C(C(=O)O)N TS10996 [0,1,0,1,0,0|1,0,0]=3 905 B11R1.36 C1CCC(CC1)C(C(=O)O)N TS09168 [0,1,0,1,0,0|0,0,0]=2 906 B11R1.36 C1CCC(CC1)C(C(=O)O)O TS41905 [0,1,0,1,0,0|0,0,0]=2 907 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)O TS41892 [0,1,0,1,0,0|0,0,0]=2 908 B11R1.36 C1CCC(CC1)[C@H](C(=O)O)N TS17745 [0,1,0,1,0,0|0,0,0]=2 909 B11R1.36 C1CNCCC1[C@@H](C(=O)O)N TS11002 [0,1,0,1,0,0|1,0,0]=3 910 B11R1.36 C1COCCC1C(C(=O)O)N TS42029 [0,1,0,1,0,0|1,0,0]=3 911 B11R1.36 C1COCCC1C(C(=O)O)N TS85555 [0,1,0,1,0,0|1,0,0]=3 912 B11R1.36 C1COCCC1[C@@H](C(=O)O)N TS08121 [0,1,0,1,0,0|1,0,0]=3 913 B11R1.36 C1COCCC1[C@H](C(=O)O)N TS42026 [0,1,0,1,0,0|1,0,0]=3 914 B11R1.520 CC1CCCCC1(C(=O)O)N TS10860 [0,1,0,1,0,0|0,0,0]=2 915 B11R1.737 C1CCCC(CC1)(C(=O)O)N TS41787 [0,1,0,1,0,0|0,0,0]=2 916 B11R1.177 CC1([C@H](NCCS1)C(=O)O)C TS92499 [0,1,0,1,0,0|2,0,0]=4 917 B11R1.178 C1CC(C(C1)C(=O)O)C(=O)O TS10954 [0,1,0,1,0,0|1,0,1]=4 918 B11R1.178 C1C[C@H]([C@H](C1)C(=O)O)C(=O)O TS29489 [0,1,0,1,0,0|1,0,1]=4 919 B11R1.178 CC(=O)N1CCCC1C(=O)O TS13649 [0,1,0,1,0,0|1,0,1]=4 920 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O TS10838 [0,1,0,1,0,0|1,0,1]=4 921 B11R2.35 C1CC(=O)CN(C1)C2CC2 TS00432 [0,0,0,2,0,0|2,0,0]=4 922 B11R2.36 C1CC2CC(=O)CCN2C1 TS94460 [0,0,0,2,0,0|2,0,0]=4 923 B11R2.106 C1CC2C(=O)CCCN2C1 TS08529 [0,0,0,2,0,0|2,0,0]=4 924 B11R2.678 C1CC2CC(=O)CC(C1)N2 TS13765 [0,0,0,2,0,0|2,0,0]=4 925 B11R2.1478 C1CC2(C1)CNCC(=O)N2 TS92819 [0,0,0,2,0,0|2,0,0]=4 926 B11R2.1 C1CC(=O)N2C1CNCC2 TS06479 [0,0,0,2,0,0|2,0,0]=4 927 B11R2.1 C1CC(=O)N2[C@@H]1CNCC2 TS89658 [0,0,0,2,0,0|2,0,0]=4 928 B11R2.1 C1CC(=O)N2[C@H]1CNCC2 TS88149 [0,0,0,2,0,0|2,0,0]=4 929 B11R2.1 C1CCN2C(C1)CCC2=O TS06382 [0,0,0,2,0,0|1,0,0]=3 930 B11R2.1 C1CN2[C@@H](CN1)COC2=O TS86299 [0,0,0,2,0,0|2,0,0]=4 931 B11R2.1 C1CN2[C@H](CN1)COC2=O TS88919 [0,0,0,2,0,0|2,0,0]=4 932 B11R2.1 C1CNC[C@@H]2[C@H]1CNC2=O TS88658 [0,0,0,2,0,0|2,0,0]=4 933 B11R2.433 C1CN2CCC1CC(=O)C2 TS90438 [0,0,0,2,0,0|2,0,0]=4 934 B11R2.1824 C1C2CNCC1C2C(=O)O TS92205 [0,0,0,2,0,0|1,0,0]=3 935 B11R2.1852 C1CCC2C(C1)C2C(=O)O TS06465 [0,0,0,2,0,0|0,0,0]=2 936 B11R2.202 C1CC2C(C1)C(=O)OC2=O TS29490 [0,0,0,2,0,0|1,0,1]=4 937 B11R2.845 C1C2CC(C1C=C2)C(=O)O TS37181 [0,0,0,2,0,0|0,0,2]=4 938 B11R2.845 C1CC2CC1C(N2)C(=O)O TS91569 [0,0,0,2,0,0|1,0,0]=3 939 B11R2.845 C1CC2CC1CC2C(=O)Cl TS11095 [0,0,0,2,0,0|1,0,0]=3 940 B11R2.845 C1CC2CC1CC2C(=O)O TS37381 [0,0,0,2,0,0|0,0,0]=2 941 B11R2.845 C1C[C@@H]2C[C@H]1[C@H](N2)C(=O)O TS85640 [0,0,0,2,0,0|1,0,0]=3 942 B11R2.845 C1C[C@H]2C[C@@H]1[C@@H](N2)C(=O)O TS91988 [0,0,0,2,0,0|1,0,0]=3 943 B11R2.432 CN1[C@@H]2CC[C@H]1CC(=O)C2 TS59478 [0,0,0,2,0,0|2,0,0]=4 944 B11R2.141 C1CNCC12CC2C(=O)O TS89754 [0,0,0,2,0,0|1,0,0]=3