0 B9R0.48 CC(C)COC(=O)CC#N TS37491 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.48 CC(C)COC(=O)CC=C TS06693 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.48 CC=CC(=O)OCC(C)C TS37601 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.48 CCCC(=O)OCC(C)C TS06993 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.48 CCOC(=O)C=CN(C)C TS08503 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.48 CCOC(=O)CCC(=O)C TS60125 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.48 CCOC(=O)CCC(=O)N TS40295 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.48 CCOC(=O)CCC(=O)[O-] TS40374 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.48 CCOC(=O)CCC(C)C TS06969 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.48 CCOC(=O)CCC(C)Cl TS09014 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.48 CCOC(=O)CCN(C)C TS07109 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.48 CCOC(=O)CC[N+](=O)[O-] TS40507 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.48 CCOC(=O)CNC(=O)C TS40290 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.48 CCOC(=O)CNC(=O)N TS40380 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.1 CCC#CC(=O)OCC TS36115 [1,0,0,0,0,0|0,0,2]=3 16 B8R0.1 CCCC(=O)OCCC TS05549 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.1 CCCC(=O)OCSC TS07493 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.1 CCCCC(=O)C=CC TS05182 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.1 CCCCC(=O)CCC TS36329 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.1 CCCCC(=O)OC=C TS05348 [1,0,0,0,0,0|0,0,2]=3 21 B8R0.1 CCCCC(=O)OCC TS36495 [1,0,0,0,0,0|0,0,0]=1 22 B8R0.1 CCCCC(C)CCC TS05416 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.1 CCCCC(CCC)Br TS51606 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.1 CCCCC(CCC)Cl TS07522 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.1 CCCCC(CCC)I TS26461 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.1 CCCCC(CCC)O TS36547 [1,0,0,0,0,0|1,0,2]=4 27 B8R0.1 CCCOC(=O)C=CC TS05345 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.1 CCOC(=O)C=CCBr TS51583 [1,0,0,0,0,0|1,0,2]=4 29 B8R0.1 CCOC(=O)CCC=C TS05344 [1,0,0,0,0,0|0,0,2]=3 30 B8R0.1 CCOC(=O)CCC=O TS94704 [1,0,0,0,0,0|1,0,1]=3 31 B8R0.1 CCOC(=O)CCCBr TS16550 [1,0,0,0,0,0|1,0,0]=2 32 B8R0.1 CCOC(=O)CCCCl TS93676 [1,0,0,0,0,0|1,0,0]=2 33 B8R0.1 CCOC(=O)CCCN TS43285 [1,0,0,0,0,0|1,0,0]=2 34 B8R0.1 CCOC(=O)CCC[Zn+] TS68422 [1,0,0,0,0,0|1,0,0]=2 35 B8R0.1 CCOC(=O)CN=C=O TS05435 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.1 CCOC(=O)CN=C=S TS40312 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.1 CCOC(=O)CN=[N+]=[N-] TS05441 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.1 CCOC(=O)CNC=O TS05641 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.1 CCOC(=O)OCC=C TS05516 [1,0,0,0,0,0|1,0,2]=4 40 B8R0.1 CCOCC(=O)OCC TS05732 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.1 CCOCC(C)OCC TS05764 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.7 CC(C)CCCCCBr TS51602 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.7 CC(C)CCCCCN TS05491 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.7 CCC#CCCC(C)C TS05053 [1,0,0,0,0,0|1,0,1]=3 45 B8R0.7 CCCCCCC(C)Br TS51603 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.7 CCCCCCC(C)C TS05423 [1,0,0,0,0,0|1,0,1]=3 47 B8R0.7 CCCCCCC(C)Cl TS07520 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.7 CCCCCCC(C)I TS26460 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.7 CCCCCCC(C)N TS05493 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.7 CCCCCCC(C)O TS05590 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.7 CCCCCCC(C)S TS40477 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.7 CCCCCC[C@@H](C)N TS05497 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.7 CCCCCC[C@@H](C)O TS05598 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.7 CCCCCC[C@H](C)N TS05488 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.7 CCCCCC[C@H](C)O TS46634 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.9 CC(=O)CCC(=O)OC TS05537 [1,0,0,0,0,0|1,0,1]=3 57 B8R0.9 CC(C)C=CC(=O)OC TS36289 [1,0,0,0,0,0|0,0,2]=3 58 B8R0.9 CC(C)CCC(=NO)C TS36423 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.9 CC(C)CCC(=O)OC TS36500 [1,0,0,0,0,0|0,0,0]=1 60 B8R0.9 CC(C)COC(=O)C=C TS05334 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.9 CCC(=O)CCC(C)C TS05386 [1,0,0,0,0,0|0,0,0]=1 62 B8R0.9 CCC(=O)OCC(C)C TS05543 [1,0,0,0,0,0|1,0,0]=2 63 B8R0.9 CCC(C)CCC(C)C TS05428 [1,0,0,0,0,0|1,0,1]=3 64 B8R0.9 CCC(C)CCC(C)O TS36529 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.9 CCC(CCC(C)C)O TS05596 [1,0,0,0,0,0|0,0,2]=3 66 B8R0.9 CN(C)C=CC(=O)OC TS36401 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.9 CN(C)CCC(=O)OC TS36601 [1,0,0,0,0,0|1,0,0]=2 68 B8R0.9 COC(=O)CCC(=O)Cl TS09960 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.9 COC(=O)CCC(=O)[O-] TS36636 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.9 COC(=O)CCS(=O)[O-] TS45726 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.9 COC(=O)COC(Cl)Cl TS13292 [1,0,0,0,0,0|3,0,0]=4 72 B10R0.26 CCOC(=O)CC(=O)C(C)Br TS50259 [0,1,0,0,0,0|1,0,1]=3 73 B10R0.26 CCOC(=O)CC(=O)C(C)C TS01457 [0,1,0,0,0,0|0,0,1]=2 74 B10R0.26 CCOC(=O)CC(=O)C(F)F TS55934 [0,1,0,0,0,0|2,0,1]=4 75 B10R0.32 CCOC(=O)C(=O)CC(=O)C TS59537 [0,1,0,0,0,0|1,0,2]=4 76 B10R0.32 CCOC(=O)[C@@H](CC(C)C)N TS53581 [0,1,0,0,0,0|0,0,0]=1 77 B10R0.57 CC=C(C)C(=O)OCC(C)C TS41633 [0,1,0,0,0,0|2,0,1]=4 78 B10R0.57 CC=C(C)C(=O)OCC(C)C TS41653 [0,1,0,0,0,0|2,0,1]=4 79 B10R0.57 CCC(C)C(=O)OCC(C)C TS11020 [0,1,0,0,0,0|2,0,0]=3 80 B10R0.78 CCCCC(=O)CCC(C)C TS10761 [0,1,0,0,0,0|1,0,0]=2 81 B10R0.78 CCCCC(=O)OCC(C)C TS11032 [0,1,0,0,0,0|2,0,0]=3 82 B10R0.78 CCCCC(CCC(C)C)O TS11063 [0,1,0,0,0,0|1,0,2]=4 83 B10R0.96 CC(C)CC(=O)OCC(C)C TS11026 [0,1,0,0,0,0|2,0,0]=3 84 B10R0.96 CC(C)CCC(CC(C)C)O TS11060 [0,1,0,0,0,0|1,0,2]=4 85 B10R0.96 CC(C)COC(=O)CC(=O)C TS41891 [0,1,0,0,0,0|2,0,1]=4 86 B10R0.96 CC(C)OC(=O)CCC(=O)O TS11228 [0,1,0,0,0,0|2,0,1]=4 87 B10R0.105 CCCC(C)(CCC(C)C)O TS11054 [0,1,0,0,0,0|1,0,2]=4 88 B10R0.108 CCCC(=O)OCC(CO)O TS11532 [0,1,0,0,0,0|3,0,0]=4 89 B10R0.108 CCOC(=O)CCC(=O)C=C TS10670 [0,1,0,0,0,0|1,0,2]=4 90 B10R0.108 CCOC(=O)CNC(=O)CCl TS47795 [0,1,0,0,0,0|2,0,1]=4 91 B10R0.108 CCOC(=O)CNC(=O)CN TS53774 [0,1,0,0,0,0|2,0,1]=4 92 B10R0.109 CCOC(=O)C#C[Si](C)(C)C TS45192 [0,1,0,0,0,0|0,1,2]=4 93 B10R0.109 CCOC(=O)CCC(F)(F)F TS12767 [0,1,0,0,0,0|2,0,0]=3 94 B10R0.109 CCOC(=O)CC[Si](C)(C)C TS13572 [0,1,0,0,0,0|0,1,0]=2 95 B10R0.109 CCOC(=O)CNC(C)(C)C TS09060 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.59 CC(C)[C@H]1C(=O)OC(=O)N1 TS06826 [0,0,0,1,0,0|2,0,1]=4 97 B10R1.63 CC1(CCC(=O)OC1=O)C TS37559 [0,0,0,1,0,0|1,0,1]=3 98 B10R1.64 CC(C)CC1CCCC1=O TS06505 [0,0,0,1,0,0|1,0,0]=2 99 B10R1.113 CC(C)N1CCCC(=O)C1 TS46973 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.138 CCCC(=O)OCC1CO1 TS33238 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.138 CCCC(=O)OC[C@@H]1CO1 TS64979 [0,0,0,1,0,0|3,0,0]=4 102 B10R1.138 CCCC(=O)OC[C@H]1CO1 TS32842 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.140 CCOC(=O)C1CC(=O)C1 TS37558 [0,0,0,1,0,0|1,0,1]=3 104 B10R1.140 CCOC(=O)C1CC(C1)O TS85679 [0,0,0,1,0,0|1,0,0]=2 105 B8R0.5 CC(C)OC(=O)CCS TS05774 [0,0,0,0,1,0|3,0,0]=4 106 B8R0.5 CC(C)OC(=O)OCCl TS64904 [0,0,0,0,1,0|2,0,0]=3 107 B8R0.5 CCCC(=O)CC(C)C TS05373 [0,0,0,0,1,0|1,0,0]=2 108 B8R0.5 CCCC(=O)OC(C)C TS05550 [0,0,0,0,1,0|2,0,0]=3 109 B8R0.5 CCCC(C)CC(C)C TS05407 [0,0,0,0,1,0|2,0,1]=4 110 B8R0.5 CCCC(CC(C)C)O TS36545 [0,0,0,0,1,0|1,0,2]=4 111 B8R0.5 CCNC(=O)CC(=O)C TS05458 [0,0,0,0,1,0|2,0,1]=4 112 B8R0.5 CCOC(=O)C=C(C)C TS32816 [0,0,0,0,1,0|0,0,2]=3 113 B8R0.5 CCOC(=O)CC(=O)C TS41089 [0,0,0,0,1,0|1,0,1]=3 114 B8R0.5 CCOC(=O)CC(=O)C TS59779 [0,0,0,0,1,0|1,0,1]=3 115 B8R0.5 CCOC(=O)CC(=O)N TS01462 [0,0,0,0,1,0|2,0,1]=4 116 B8R0.5 CCOC(=O)CC(=O)O TS39886 [0,0,0,0,1,0|2,0,1]=4 117 B8R0.5 CCOC(=O)CC(=S)N TS07360 [0,0,0,0,1,0|2,0,1]=4 118 B8R0.5 CCOC(=O)CC(C)Br TS51949 [0,0,0,0,1,0|1,0,0]=2 119 B8R0.5 CCOC(=O)CC(C)C TS05548 [0,0,0,0,1,0|0,0,0]=1 120 B8R0.5 CCOC(=O)CC(C)N TS32698 [0,0,0,0,1,0|1,0,0]=2 121 B8R0.5 CCOC(=O)CC(C)O TS36658 [0,0,0,0,1,0|1,0,0]=2 122 B8R0.5 CCOC(=O)CN(C)C TS05660 [0,0,0,0,1,0|1,0,0]=2 123 B8R0.5 CCOC(=O)C[C@@H](C)O TS05718 [0,0,0,0,1,0|1,0,0]=2 124 B8R0.5 CCOC(=O)C[N+](=O)[O-] TS01470 [0,0,0,0,1,0|3,0,0]=4 125 B8R0.5 CCOC(=O)C[S+](C)C TS52804 [0,0,0,0,1,0|1,0,0]=2 126 B8R0.5 CCOC(=O)NC(=O)C TS05638 [0,0,0,0,1,0|2,0,1]=4 127 B8R0.5 CCOC(=O)OC(C)Cl TS10246 [0,0,0,0,1,0|2,0,0]=3 128 B10R0.3 CCCC(=O)OCCC(C)C TS11021 [0,0,0,0,0,1|1,0,0]=2 129 B10R0.3 CCOC(=O)C=CCC(C)C TS10726 [0,0,0,0,0,1|0,0,1]=2 130 B10R0.3 CCOC(=O)CCCC(=C)C TS41658 [0,0,0,0,0,1|0,0,2]=3 131 B10R0.3 CCOC(=O)CCCC(=O)C TS41896 [0,0,0,0,0,1|1,0,1]=3 132 B10R0.3 CCOC(=O)CCCC(=O)Cl TS47626 [0,0,0,0,0,1|2,0,1]=4 133 B10R0.3 CCOC(=O)CCCC(=O)O TS11210 [0,0,0,0,0,1|2,0,1]=4 134 B10R0.3 CCOC(=O)CCNC(C)C TS93397 [0,0,0,0,0,1|0,0,0]=1 135 B10R0.3 CCOC(=O)CSCC(=O)C TS13880 [0,0,0,0,0,1|1,0,1]=3 136 B7R0.1 CCC=CCCCO TS04463 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.1 CCCC=CCCC TS31958 [2,0,0,0,0,0|1,0,1]=4 138 B7R0.1 CCCC=COCC TS04469 [2,0,0,0,0,0|0,0,1]=3 139 B7R0.1 CCCCC#CCC TS31859 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.1 CCCCC=CCC TS04348 [2,0,0,0,0,0|1,0,0]=3 141 B7R0.1 CCCCC=CCC TS31974 [2,0,0,0,0,0|1,0,0]=3 142 B7R0.1 CCCCC=CCO TS32112 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.1 CCCCCNCC TS04550 [2,0,0,0,0,0|1,0,1]=4 144 B7R0.1 CCCCCOCC TS32236 [2,0,0,0,0,0|0,0,1]=3 145 B7R0.1 CCCCCSCC TS36717 [2,0,0,0,0,0|0,1,1]=4 146 B7R0.1 CCCCNCCC TS04557 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.1 CCCCSCCC TS05790 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.1 CCCCSSCC TS40937 [2,0,0,0,0,0|1,1,0]=4 149 B7R0.1 CCOCCCCCl TS06141 [2,0,0,0,0,0|1,0,1]=4 150 B7R0.1 CCOCCOCC TS32341 [2,0,0,0,0,0|1,0,1]=4 151 B7R0.3 CCC#CC(=O)OC TS31922 [2,0,0,0,0,0|0,0,2]=4 152 B7R0.3 CCC(=O)NCCO TS32284 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.3 CCC=CC(=O)OC TS56262 [2,0,0,0,0,0|0,0,2]=4 154 B7R0.3 CCCCC(=C)CC TS04366 [2,0,0,0,0,0|1,0,0]=3 155 B7R0.3 CCCCC(=CC)C TS04336 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.3 CCCCC(=O)CC TS04462 [2,0,0,0,0,0|0,0,0]=2 157 B7R0.3 CCCCC(=O)NC TS32169 [2,0,0,0,0,0|1,0,0]=3 158 B7R0.3 CCCCC(=O)NN TS04606 [2,0,0,0,0,0|2,0,0]=4 159 B7R0.3 CCCCC(=O)OC TS32226 [2,0,0,0,0,0|0,0,0]=2 160 B7R0.3 CCCCC(C)CC TS32121 [2,0,0,0,0,0|1,0,1]=4 161 B7R0.3 CCCCC(CC)Br TS14340 [2,0,0,0,0,0|1,0,1]=4 162 B7R0.3 CCCCC(CC)N TS04554 [2,0,0,0,0,0|1,0,1]=4 163 B7R0.3 CCCCC(CC)O TS04628 [2,0,0,0,0,0|0,0,2]=4 164 B7R0.3 CCCOC(=O)CCl TS06137 [2,0,0,0,0,0|2,0,0]=4 165 B7R0.3 CCCOC(=O)CN TS41315 [2,0,0,0,0,0|2,0,0]=4 166 B7R0.3 CCCOC(=O)OC TS32321 [2,0,0,0,0,0|1,0,0]=3 167 B7R0.3 CCCSC(=O)CC TS05773 [2,0,0,0,0,0|1,0,0]=3 168 B7R0.3 COC(=O)CCC#N TS02730 [2,0,0,0,0,0|1,0,1]=4 169 B7R0.3 COC(=O)CCC=O TS02246 [2,0,0,0,0,0|1,0,1]=4 170 B7R0.3 COC(=O)CCCBr TS09599 [2,0,0,0,0,0|1,0,0]=3 171 B7R0.3 COC(=O)CCCCl TS06131 [2,0,0,0,0,0|1,0,0]=3 172 B7R0.3 COC(=O)CCCI TS52575 [2,0,0,0,0,0|1,0,0]=3 173 B7R0.3 COC(=O)CCCN TS41316 [2,0,0,0,0,0|1,0,0]=3 174 B7R0.3 COC(=O)CCSC TS05919 [2,0,0,0,0,0|1,0,0]=3 175 B7R0.3 COCCC(=O)OC TS32322 [2,0,0,0,0,0|1,0,0]=3 176 B7R0.7 CCCC(=CCC)C TS31954 [2,0,0,0,0,0|2,0,0]=4 177 B7R0.7 CCCC(=O)CCC TS32100 [2,0,0,0,0,0|1,0,0]=3 178 B7R0.7 CCCC(=O)OC=C TS04453 [2,0,0,0,0,0|0,0,2]=4 179 B7R0.7 CCCC(=O)OCC TS32219 [2,0,0,0,0,0|0,0,0]=2 180 B7R0.7 CCCC(=O)OCCl TS55810 [2,0,0,0,0,0|1,0,0]=3 181 B7R0.7 CCCC(=S)OCC TS05779 [2,0,0,0,0,0|0,1,0]=3 182 B7R0.7 CCCC(=S)OCC TS07488 [2,0,0,0,0,0|0,1,0]=3 183 B7R0.7 CCCC(C)OCC TS32250 [2,0,0,0,0,0|1,0,1]=4 184 B7R0.7 CCCS(=O)CCC TS36875 [2,0,0,0,0,0|2,0,0]=4 185 B7R0.7 CCNC(=O)NCC TS04609 [2,0,0,0,0,0|2,0,0]=4 186 B7R0.7 CCNC(=O)OCC TS04671 [2,0,0,0,0,0|1,0,0]=3 187 B7R0.7 CCOC(=C)OCC TS56207 [2,0,0,0,0,0|2,0,0]=4 188 B7R0.7 CCOC(=O)C#CC TS08727 [2,0,0,0,0,0|0,0,2]=4 189 B7R0.7 CCOC(=O)C=CC TS04436 [2,0,0,0,0,0|0,0,2]=4 190 B7R0.7 CCOC(=O)CC#C TS31911 [2,0,0,0,0,0|0,0,2]=4 191 B7R0.7 CCOC(=O)CC#N TS32007 [2,0,0,0,0,0|1,0,1]=4 192 B7R0.7 CCOC(=O)CC=C TS04444 [2,0,0,0,0,0|0,0,2]=4 193 B7R0.7 CCOC(=O)CCBr TS08511 [2,0,0,0,0,0|1,0,0]=3 194 B7R0.7 CCOC(=O)CCCl TS66003 [2,0,0,0,0,0|1,0,0]=3 195 B7R0.7 CCOC(=O)CCI TS56139 [2,0,0,0,0,0|1,0,0]=3 196 B7R0.7 CCOC(=O)CCN TS01886 [2,0,0,0,0,0|1,0,0]=3 197 B7R0.7 CCOC(=O)CCN TS04667 [2,0,0,0,0,0|1,0,0]=3 198 B7R0.7 CCOC(=O)CCS TS05923 [2,0,0,0,0,0|1,0,0]=3 199 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [2,0,0,0,0,0|1,0,0]=3 200 B7R0.7 CCOC(=O)CNC TS01479 [2,0,0,0,0,0|1,0,0]=3 201 B7R0.7 CCOC(=O)CNN TS56149 [2,0,0,0,0,0|2,0,0]=4 202 B7R0.7 CCOC(=O)COC TS32327 [2,0,0,0,0,0|1,0,0]=3 203 B7R0.7 CCOC(=O)CSC TS05917 [2,0,0,0,0,0|1,0,0]=3 204 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [2,0,0,0,0,0|1,0,1]=4 205 B7R0.7 CCOC(=O)NOC TS32378 [2,0,0,0,0,0|2,0,0]=4 206 B7R0.7 CCOC(=O)OCC TS32315 [2,0,0,0,0,0|1,0,0]=3 207 B7R0.7 CCOC(=O)OCCl TS37245 [2,0,0,0,0,0|2,0,0]=4 208 B7R0.7 CCOS(=O)OCC TS06288 [2,0,0,0,0,0|2,0,0]=4 209 B7R0.7 CCSC(=O)SCC TS40933 [2,0,0,0,0,0|1,1,0]=4 210 B7R0.4 CC#CCCC(C)C TS31843 [2,0,0,0,0,0|0,0,2]=4 211 B7R0.4 CC(C)CCCCBr TS14341 [2,0,0,0,0,0|1,0,1]=4 212 B7R0.4 CC(C)CCCCCl TS36890 [2,0,0,0,0,0|1,0,1]=4 213 B7R0.4 CC(C)CCOC=O TS32212 [2,0,0,0,0,0|1,0,1]=4 214 B7R0.4 CC(C)CCON=O TS01922 [2,0,0,0,0,0|2,0,0]=4 215 B7R0.4 CC(C)NCCOC TS32291 [2,0,0,0,0,0|1,0,1]=4 216 B7R0.4 CC=CCCC(C)C TS31977 [2,0,0,0,0,0|0,0,1]=3 217 B7R0.4 CCC#CCC(C)C TS04215 [2,0,0,0,0,0|0,0,2]=4 218 B7R0.4 CCC=CCC(C)C TS04361 [2,0,0,0,0,0|0,0,1]=3 219 B7R0.4 CCCC=CC(C)C TS04365 [2,0,0,0,0,0|1,0,1]=4 220 B7R0.4 CCCCCC(C)Br TS14342 [2,0,0,0,0,0|1,0,1]=4 221 B7R0.4 CCCCCC(C)C TS32120 [2,0,0,0,0,0|0,0,1]=3 222 B7R0.4 CCCCCC(C)Cl TS05959 [2,0,0,0,0,0|1,0,1]=4 223 B7R0.4 CCCCCC(C)N TS04560 [2,0,0,0,0,0|1,0,1]=4 224 B7R0.4 CCCCCC(C)O TS32255 [2,0,0,0,0,0|1,0,1]=4 225 B7R0.4 CCCCC[C@@H](C)N TS04556 [2,0,0,0,0,0|1,0,1]=4 226 B7R0.4 CCCCC[C@@H](C)O TS04622 [2,0,0,0,0,0|1,0,1]=4 227 B7R0.4 CCCCC[C@H](C)N TS04553 [2,0,0,0,0,0|1,0,1]=4 228 B7R0.4 CCCCC[C@H](C)O TS32248 [2,0,0,0,0,0|1,0,1]=4 229 B7R0.4 CCCCSC(C)C TS05791 [2,0,0,0,0,0|1,0,1]=4 230 B7R0.4 CCCSCC(C)C TS05789 [2,0,0,0,0,0|1,0,1]=4 231 B7R0.4 CCNCCN(C)C TS04631 [2,0,0,0,0,0|2,0,0]=4 232 B7R0.4 CCOC=C[SiH](C)C TS05619 [2,0,0,0,0,0|0,1,1]=4 233 B7R0.4 CCOCCC(=O)C TS04589 [2,0,0,0,0,0|1,0,1]=4 234 B7R0.4 CCO[SiH2]CN(C)C TS36788 [2,0,0,0,0,0|1,1,0]=4 235 B7R0.4 CCSCCC(C)C TS05793 [2,0,0,0,0,0|0,1,0]=3 236 B7R0.6 CC(=C)CCC(=O)C TS04310 [2,0,0,0,0,0|0,0,2]=4 237 B7R0.6 CC(=CCC(=O)O)C TS04452 [2,0,0,0,0,0|0,0,2]=4 238 B7R0.6 CC(=O)CCC(=O)C TS00680 [2,0,0,0,0,0|1,0,1]=4 239 B7R0.6 CC(=O)CCC(=O)O TS64917 [2,0,0,0,0,0|1,0,1]=4 240 B7R0.6 CC(C)C=CC(=O)C TS01150 [2,0,0,0,0,0|0,0,2]=4 241 B7R0.6 CC(C)C=CC(=O)O TS04440 [2,0,0,0,0,0|0,0,2]=4 242 B7R0.6 CC(C)CCC(=C)C TS31967 [2,0,0,0,0,0|1,0,0]=3 243 B7R0.6 CC(C)CCC(=O)C TS32095 [2,0,0,0,0,0|0,0,0]=2 244 B7R0.6 CC(C)CCC(=O)Cl TS05954 [2,0,0,0,0,0|1,0,0]=3 245 B7R0.6 CC(C)CCC(=O)O TS32208 [2,0,0,0,0,0|0,0,0]=2 246 B7R0.6 CC(C)CCC(C)C TS04511 [2,0,0,0,0,0|1,0,1]=4 247 B7R0.6 CC(C)CCC(C)N TS04558 [2,0,0,0,0,0|1,0,1]=4 248 B7R0.6 CC(C)CCC(C)O TS32237 [2,0,0,0,0,0|0,0,2]=4 249 B7R0.6 CC(C)CNC(=O)N TS04600 [2,0,0,0,0,0|2,0,0]=4 250 B7R0.6 CC(C)COC(=O)C TS04598 [2,0,0,0,0,0|1,0,0]=3 251 B7R0.6 CC(C)COC(=O)Cl TS74510 [2,0,0,0,0,0|2,0,0]=4 252 B7R0.6 CC(C)COC(=O)N TS32285 [2,0,0,0,0,0|2,0,0]=4 253 B7R0.6 CC(C)OCC(=O)O TS04716 [2,0,0,0,0,0|1,0,0]=3 254 B7R0.6 CC(CCC(=C)C)O TS32103 [2,0,0,0,0,0|2,0,0]=4 255 B7R0.6 CC(CCC(=O)Cl)Cl TS10541 [2,0,0,0,0,0|2,0,0]=4 256 B7R0.6 CC(COC(=O)C)O TS32324 [2,0,0,0,0,0|2,0,0]=4 257 B7R0.6 C[S+](C)CCC(=O)O TS12940 [2,0,0,0,0,0|1,0,0]=3 258 B7R0.6 C[S+](C)CCC(=O)O TS21843 [2,0,0,0,0,0|1,0,0]=3 259 B7R0.6 C[S+](C)CCC(=O)[O-] TS39378 [2,0,0,0,0,0|1,0,1]=4 260 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [1,1,0,0,0,0|1,0,1]=4 261 B9R0.4 CCCCC(=O)CC(C)C TS37639 [1,1,0,0,0,0|1,0,0]=3 262 B9R0.4 CCCOC(=O)CC(C)C TS40218 [1,1,0,0,0,0|2,0,0]=4 263 B9R0.5 CCC=CCC(=O)OCC TS06708 [1,1,0,0,0,0|0,0,1]=3 264 B9R0.5 CCCC#CC(=O)OCC TS06461 [1,1,0,0,0,0|0,0,1]=3 265 B9R0.5 CCCC=CC(=O)OCC TS06717 [1,1,0,0,0,0|0,0,1]=3 266 B9R0.5 CCCCCC(=O)CCC TS06764 [1,1,0,0,0,0|1,0,0]=3 267 B9R0.5 CCCCCC(=O)OC=C TS06709 [1,1,0,0,0,0|0,0,2]=4 268 B9R0.5 CCCCCC(=O)OCC TS06974 [1,1,0,0,0,0|0,0,0]=2 269 B9R0.5 CCCCOC(=O)CCC TS40200 [1,1,0,0,0,0|1,0,0]=3 270 B9R0.5 CCCCOC(=O)CCCl TS11957 [1,1,0,0,0,0|2,0,0]=4 271 B9R0.5 CCCCOC(=O)CCS TS11614 [1,1,0,0,0,0|2,0,0]=4 272 B9R0.5 CCOC(=O)CCCCBr TS20688 [1,1,0,0,0,0|0,0,0]=2 273 B9R0.5 CCOC(=O)CCCC[Zn+] TS33641 [1,1,0,0,0,0|0,0,0]=2 274 B9R0.5 CCOC(=O)CCN=C=O TS06833 [1,1,0,0,0,0|1,0,1]=4 275 B9R0.5 CCOC(=O)CNCCN TS49565 [1,1,0,0,0,0|1,0,0]=3 276 B9R0.5 CCOC=CC(=O)OCC TS06939 [1,1,0,0,0,0|0,0,2]=4 277 B9R0.5 CCOCCC(=O)OCC TS00147 [1,1,0,0,0,0|0,0,0]=2 278 B9R0.8 CCCCC(=O)C(C)CC TS37636 [1,1,0,0,0,0|1,0,0]=3 279 B9R0.8 CCCOC(=O)C(C)CC TS40216 [1,1,0,0,0,0|2,0,0]=4 280 B9R0.18 C(CC(=O)CCCCl)CCl TS48380 [1,1,0,0,0,0|2,0,0]=4 281 B9R0.18 C(CCl)OC(=O)OCCCl TS15753 [1,1,0,0,0,0|2,0,0]=4 282 B9R0.18 CCCCC(=O)CCCC TS39918 [1,1,0,0,0,0|1,0,0]=3 283 B9R0.18 CCCCC(=O)OCC=C TS37596 [1,1,0,0,0,0|0,0,1]=3 284 B9R0.18 CCCCC(=O)OCCC TS06971 [1,1,0,0,0,0|0,0,0]=2 285 B9R0.18 CCCCS(=O)CCCC TS42514 [1,1,0,0,0,0|2,0,0]=4 286 B9R0.18 CCCC[Sn](=O)CCCC TS27846 [1,1,0,0,0,0|2,0,0]=4 287 B9R0.18 CCCNC(=O)NCCC TS00377 [1,1,0,0,0,0|2,0,0]=4 288 B9R0.18 CCCOC(=O)OCCC TS40429 [1,1,0,0,0,0|1,0,0]=3 289 B9R0.18 CCCOS(=O)OCCC TS12274 [1,1,0,0,0,0|2,0,0]=4 290 B9R0.34 CCC(=O)CC(=O)OCC TS01475 [1,1,0,0,0,0|0,0,1]=3 291 B9R0.34 CCOC(=O)CC(=O)CBr TS70980 [1,1,0,0,0,0|1,0,1]=4 292 B9R0.34 CCOC(=O)CC(=O)CCl TS42828 [1,1,0,0,0,0|1,0,1]=4 293 B9R0.34 CCOC(=O)CC(C)SC TS11613 [1,1,0,0,0,0|1,0,0]=3 294 B9R0.34 CCOC(=O)C[C@@H](CBr)O TS21056 [1,1,0,0,0,0|1,0,0]=3 295 B9R0.34 CCOC(=O)C[C@@H](CCl)O TS08648 [1,1,0,0,0,0|1,0,0]=3 296 B9R0.34 CCOC(=O)C[C@H](CBr)O TS21055 [1,1,0,0,0,0|1,0,0]=3 297 B9R0.34 CCOC(=O)C[C@H](CCl)O TS39748 [1,1,0,0,0,0|1,0,0]=3 298 B9R0.35 CCC=C(C)C(=O)OCC TS37603 [1,1,0,0,0,0|0,0,2]=4 299 B9R0.35 CCCC(=O)C(=O)OCC TS85095 [1,1,0,0,0,0|0,0,1]=3 300 B9R0.35 CCCC(C(=O)CCC)O TS40202 [1,1,0,0,0,0|1,0,0]=3 301 B9R0.35 CCCC(C(=O)OCC)Br TS20692 [1,1,0,0,0,0|0,0,0]=2 302 B9R0.35 CCCC(C(=O)OCC)O TS40414 [1,1,0,0,0,0|0,0,0]=2 303 B9R0.35 CCCC(C)C(=O)CCC TS06752 [1,1,0,0,0,0|1,0,0]=3 304 B9R0.35 CCCC(C)C(=O)OCC TS06992 [1,1,0,0,0,0|0,0,0]=2 305 B9R0.35 CCC[C@@H](C(=O)OCC)N TS48149 [1,1,0,0,0,0|0,0,0]=2 306 B9R0.35 CCOC(=O)C(=O)OCC TS01436 [1,1,0,0,0,0|1,0,1]=4 307 B9R0.35 CCOC(=O)C(C)C=CC TS37595 [1,1,0,0,0,0|0,0,2]=4 308 B9R0.35 CCOC(=O)C(C)SSC TS14672 [1,1,0,0,0,0|2,0,0]=4 309 B9R0.35 CCOC(=O)C(CCBr)Br TS64882 [1,1,0,0,0,0|1,0,0]=3 310 B9R0.35 CCOC(C(=O)OCC)Cl TS12302 [1,1,0,0,0,0|1,0,0]=3 311 B9R0.35 CCOC(C(=O)OCC)O TS07404 [1,1,0,0,0,0|1,0,0]=3 312 B9R0.35 CCOC(C)C(=O)OCC TS40412 [1,1,0,0,0,0|1,0,0]=3 313 B9R0.1 CCC(=O)OCCC(C)C TS06990 [1,1,0,0,0,0|2,0,0]=4 314 B9R0.1 CCC(C)CCCC(C)C TS06782 [1,1,0,0,0,0|1,0,1]=4 315 B9R0.2 CC(C)CCCCCCBr TS39155 [1,1,0,0,0,0|1,0,1]=4 316 B9R0.2 CC(C)CCCCCCN TS06894 [1,1,0,0,0,0|1,0,1]=4 317 B9R0.2 CCCCCCCC(C)C TS37672 [1,1,0,0,0,0|1,0,1]=4 318 B9R0.38 CCCCCCC(C)(C)Cl TS11639 [1,1,0,0,0,0|1,0,1]=4 319 B9R0.38 CCCCCCC(C)(C)O TS40249 [1,1,0,0,0,0|1,0,1]=4 320 B9R0.38 CCCCCCC(C)(C)S TS11319 [1,1,0,0,0,0|1,0,1]=4 321 B9R0.38 CCOCCOC(C)(C)C TS07246 [1,1,0,0,0,0|1,0,1]=4 322 B9R0.46 CCCCCCC(C)CBr TS39157 [1,1,0,0,0,0|1,0,1]=4 323 B9R0.46 CCCCCCC(C)CC TS37670 [1,1,0,0,0,0|1,0,1]=4 324 B9R0.47 CCCCCC(C(C)C)O TS40248 [1,1,0,0,0,0|1,0,1]=4 325 B9R0.47 CCCCCC(C)C(C)C TS06796 [1,1,0,0,0,0|1,0,1]=4 326 B9R0.55 CC(C)CCCCC(C)C TS37668 [1,1,0,0,0,0|1,0,1]=4 327 B9R0.7 CC(C)C(=O)CCN(C)C TS06877 [1,1,0,0,0,0|1,0,0]=3 328 B9R0.7 CC(C)CCC(C(C)C)O TS07016 [1,1,0,0,0,0|0,0,2]=4 329 B9R0.7 CC(C)COC(=O)C(=C)C TS37616 [1,1,0,0,0,0|1,0,1]=4 330 B9R0.7 CC(C)COC(=O)C(C)C TS40217 [1,1,0,0,0,0|1,0,0]=3 331 B9R0.7 C[C@@H](C(=O)OCC(C)C)Cl TS11958 [1,1,0,0,0,0|1,0,0]=3 332 B9R0.7 C[C@H](C(=O)OCC(C)C)O TS40428 [1,1,0,0,0,0|1,0,0]=3 333 B9R0.21 COC(=O)CCC(F)(F)F TS10645 [1,1,0,0,0,0|2,0,0]=4 334 B9R0.21 COC(=O)CC[Si](C)(Cl)Cl TS19163 [1,1,0,0,0,0|1,1,0]=4 335 B9R0.23 CC(C)CC(C(=O)NN)N TS07112 [1,1,0,0,0,0|2,0,0]=4 336 B9R0.23 CC(C)CC(C(=O)OC)N TS48158 [1,1,0,0,0,0|0,0,0]=2 337 B9R0.23 CC(C)C[C@@H](C(=O)N[O-])N TS07238 [1,1,0,0,0,0|2,0,0]=4 338 B9R0.23 CC(C)C[C@@H](C(=O)OC)N TS48150 [1,1,0,0,0,0|0,0,0]=2 339 B9R0.23 CC(C)C[C@H](C(=O)OC)N TS48153 [1,1,0,0,0,0|0,0,0]=2 340 B9R0.23 CC(CN(C)C)C(=O)OC TS40316 [1,1,0,0,0,0|1,0,0]=3 341 B9R0.24 CCC(C)CCC(C)CC TS06791 [1,1,0,0,0,0|1,0,1]=4 342 B9R0.24 CCC(C)COC(=O)CC TS40204 [1,1,0,0,0,0|1,0,0]=3 343 B9R0.24 COC(=O)CCC(=O)CN TS59714 [1,1,0,0,0,0|1,0,1]=4 344 B9R0.24 COC(=O)CCC(=O)OC TS40376 [1,1,0,0,0,0|1,0,1]=4 345 B9R0.42 CC(C(=O)CC(=O)OC)Br TS43586 [1,1,0,0,0,0|1,0,1]=4 346 B9R0.42 CC(C)C(=O)CC(=O)OC TS06942 [1,1,0,0,0,0|0,0,1]=3 347 B9R0.42 CCC(=O)OC(C(C)C)Cl TS11955 [1,1,0,0,0,0|1,0,0]=3 348 B9R0.64 CCC(C)(CCC(C)C)O TS07021 [1,1,0,0,0,0|0,0,2]=4 349 B9R0.6 CCOC(=O)C(=O)C(C)C TS06953 [0,1,0,0,1,0|0,0,1]=3 350 B9R0.6 CCOC(=O)C(=O)N(C)C TS40286 [0,1,0,0,1,0|1,0,1]=4 351 B9R0.6 CCOC(=O)C(C(=O)C)Cl TS00067 [0,1,0,0,1,0|1,0,1]=4 352 B9R0.6 CCOC(=O)C(C(=O)C)F TS40607 [0,1,0,0,1,0|1,0,1]=4 353 B9R0.6 CCOC(=O)C(C(C)Br)Br TS74395 [0,1,0,0,1,0|1,0,0]=3 354 B9R0.6 CCOC(=O)C(C(C)C)Br TS55905 [0,1,0,0,1,0|0,0,0]=2 355 B9R0.6 CCOC(=O)C(C(C)C)N TS48167 [0,1,0,0,1,0|0,0,0]=2 356 B9R0.6 CCOC(=O)C(C)C(=O)C TS00094 [0,1,0,0,1,0|1,0,1]=4 357 B9R0.6 CCOC(=O)[C@@H](C(C)C)N TS48159 [0,1,0,0,1,0|0,0,0]=2 358 B9R0.6 CCOC(=O)[C@H](C(C)C)N TS48151 [0,1,0,0,1,0|0,0,0]=2 359 B9R0.6 CCOC(=O)[C@H]([C@@H](C)O)N TS48480 [0,1,0,0,1,0|1,0,0]=3 360 B9R0.44 CCOC(=O)CC(C)(C)C TS06982 [0,1,0,0,1,0|0,0,0]=2 361 B9R0.44 CCOC(=O)CC(F)(F)F TS10642 [0,1,0,0,1,0|2,0,0]=4 362 B9R0.44 CCOC(=O)CS(=O)(=O)C TS43088 [0,1,0,0,1,0|2,0,0]=4 363 B9R0.44 CCOC(=O)C[Si](C)(C)C TS11315 [0,1,0,0,1,0|0,1,0]=3 364 B9R0.53 CC(C)CC(=CC(C)C)C TS06519 [0,1,0,0,1,0|2,0,0]=4 365 B9R0.53 CC(C)CC(=O)CC(=O)C TS06714 [0,1,0,0,1,0|1,0,1]=4 366 B9R0.53 CC(C)CC(=O)CC(C)C TS06759 [0,1,0,0,1,0|1,0,0]=3 367 B9R0.53 CC(C)CC(=O)OC(C)C TS40215 [0,1,0,0,1,0|0,0,0]=2 368 B9R0.53 CC(C)CC(=S)OC(C)C TS42226 [0,1,0,0,1,0|0,1,0]=3 369 B9R0.53 CC(C)OC(=O)CC(=O)C TS06935 [0,1,0,0,1,0|1,0,1]=4 370 B9R0.53 CC(C)OC(=O)OC(C)C TS07212 [0,1,0,0,1,0|1,0,0]=3 371 B9R0.53 CC(C)OC(=O)OC(C)Cl TS12301 [0,1,0,0,1,0|1,0,0]=3 372 B9R0.53 CC(C)OS(=O)OC(C)C TS12272 [0,1,0,0,1,0|2,0,0]=4 373 B11R0.1 CCOC(=O)CC(=O)CC(C)C TS01151 [0,1,0,0,0,1|0,0,0]=2 374 B11R0.1 CCOC(=O)CC(C)OC(=O)C TS45764 [0,1,0,0,0,1|1,0,1]=4 375 B11R0.6 CC(C)CCOC(=O)CC(=O)C TS13174 [0,1,0,0,0,1|1,0,1]=4 376 B11R0.6 CC(C)CCOC(=O)CC(C)C TS45520 [0,1,0,0,0,1|1,0,0]=3 377 B11R0.59 CCOC(=O)C(C)ON=C(C)C TS13330 [0,1,0,0,0,1|1,0,1]=4 378 B11R0.145 CC=C(C)C(=O)OCCC(C)C TS45169 [0,1,0,0,0,1|1,0,1]=4 379 B11R0.145 CCC(C)C(=O)OCCC(C)C TS13215 [0,1,0,0,0,1|1,0,0]=3 380 B11R0.147 CCCCC(=O)OCCC(C)C TS13210 [0,1,0,0,0,1|1,0,0]=3 381 B11R0.180 CCCC(=O)OCC[N+](C)(C)C TS20828 [0,1,0,0,0,1|2,0,0]=4 382 B11R0.180 CCCC(=O)OCC[N+](C)(C)C TS63344 [0,1,0,0,0,1|2,0,0]=4 383 B11R0.180 CCCC(=O)OCC[N+](C)(C)C TS74677 [0,1,0,0,0,1|2,0,0]=4 384 B11R0.180 CCCC(=O)SCC[N+](C)(C)C TS76897 [0,1,0,0,0,1|2,0,0]=4 385 B11R0.54 CCOC(=O)CC(=O)C(C)(C)C TS45473 [0,2,0,0,0,0|0,0,1]=3 386 B11R0.54 CCOC(=O)CC(C(F)(F)F)N TS48705 [0,2,0,0,0,0|2,0,0]=4 387 B11R0.54 CCOC(=O)CC(C(F)(F)F)O TS15562 [0,2,0,0,0,0|2,0,0]=4 388 B11R0.54 CCOC(=O)CC(C)C(F)(F)F TS48538 [0,2,0,0,0,0|2,0,0]=4 389 B11R0.54 CCOC(=O)C[C@H](C(F)(F)F)O TS15560 [0,2,0,0,0,0|2,0,0]=4 390 B11R0.68 CC(C)C[C@@H](C(=O)OCC=C)N TS64381 [0,2,0,0,0,0|0,0,1]=3 391 B11R0.149 CC(C)CC(C(=O)OC(C)C)O TS45809 [0,2,0,0,0,0|0,0,0]=2 392 B11R0.186 CCOC(=O)C(=O)OC(C)(C)C TS90880 [0,2,0,0,0,0|1,0,1]=4 393 B11R0.186 CCOC(=O)C(C)CC(F)(F)F TS48537 [0,2,0,0,0,0|2,0,0]=4 394 B11R0.120 CCC(C)COC(=O)C(C)CC TS45518 [0,2,0,0,0,0|2,0,0]=4 395 B11R0.46 CCCCCC(=O)OCC(C)C TS45502 [0,2,0,0,0,0|2,0,0]=4 396 B11R0.46 CCCCOC(=O)CCC(=O)C TS13190 [0,2,0,0,0,0|1,0,1]=4 397 B11R0.85 CC(C)CCC(=O)CCC(C)C TS12883 [0,2,0,0,0,0|1,0,0]=3 398 B11R0.34 CC(CNC(=O)OC(C)(C)C)N TS94794 [0,2,0,0,0,0|2,0,0]=4 399 B11R0.34 CC(CNC(=O)OC(C)(C)C)O TS16816 [0,2,0,0,0,0|2,0,0]=4 400 B11R0.34 C[C@@H](CNC(=O)OC(C)(C)C)O TS13708 [0,2,0,0,0,0|2,0,0]=4 401 B11R0.34 C[C@H](CNC(=O)OC(C)(C)C)O TS13705 [0,2,0,0,0,0|2,0,0]=4 402 B11R0.107 CCC(C)COC(=O)CC(C)C TS45499 [0,2,0,0,0,0|2,0,0]=4 403 B11R0.9 CCOC(=O)CN=C(SC)SC TS20423 [0,2,0,0,0,0|1,0,1]=4 404 B11R0.62 CCOC(=O)CCC(=O)OCC TS45753 [0,2,0,0,0,0|1,0,1]=4 405 B9R1.2 C1CNC(=O)CC1CN TS90526 [1,0,0,1,0,0|2,0,0]=4 406 B9R1.2 C1CNC(=O)CC1CO TS87561 [1,0,0,1,0,0|2,0,0]=4 407 B9R1.2 CCN1CCCC(=O)C1 TS11774 [1,0,0,1,0,0|2,0,0]=4 408 B9R1.2 CCN1CCCC(=O)C1 TS36243 [1,0,0,1,0,0|2,0,0]=4 409 B9R1.8 CCOC1=CCCCC1 TS05194 [1,0,0,1,0,0|1,0,0]=3 410 B9R1.12 CCCCC1=CCCC1 TS05061 [1,0,0,1,0,0|2,0,0]=4 411 B9R1.15 CC=C1CCCCC1=O TS36005 [1,0,0,1,0,0|1,0,1]=4 412 B9R1.15 COC1CCCCC1=O TS05343 [1,0,0,1,0,0|2,0,0]=4 413 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [1,0,0,1,0,0|2,0,0]=4 414 B9R1.15 CSC1CCCCC1=O TS40228 [1,0,0,1,0,0|2,0,0]=4 415 B9R1.27 CCC1C(CNC1=O)C TS36242 [1,0,0,1,0,0|2,0,0]=4 416 B9R1.33 C1COC(=O)N1CCO TS05635 [1,0,0,1,0,0|2,0,0]=4 417 B9R1.33 CCCN1CCCC1=O TS05280 [1,0,0,1,0,0|2,0,0]=4 418 B9R1.48 C1CCC(=O)OC(=O)C1 TS36278 [1,0,0,1,0,0|1,0,1]=4 419 B9R1.49 CN1CCC(=O)NCC1 TS05363 [1,0,0,1,0,0|2,0,0]=4 420 B9R1.50 C1CCCNC(=O)CC1 TS05275 [1,0,0,1,0,0|1,0,0]=3 421 B9R1.50 CC1=CCCCCCC1 TS05043 [1,0,0,1,0,0|2,0,0]=4 422 B9R1.69 CC1CCC(=O)CC1C TS36162 [1,0,0,1,0,0|1,0,0]=3 423 B9R1.69 C[C@@H]1CCC(=O)C[C@H]1C TS05202 [1,0,0,1,0,0|1,0,0]=3 424 B9R1.69 C[C@H]1CCC(=O)C[C@H]1C TS36152 [1,0,0,1,0,0|1,0,0]=3 425 B9R1.73 CCOC(=O)C1CCC1 TS59781 [1,0,0,1,0,0|0,0,0]=2 426 B9R1.73 CCOC(=O)C1CNC1 TS42980 [1,0,0,1,0,0|1,0,0]=3 427 B9R1.75 CCOC(=O)C[C@@H]1CO1 TS05527 [1,0,0,1,0,0|1,0,0]=3 428 B9R1.100 CCCNC(=O)C1CC1 TS05284 [1,0,0,1,0,0|2,0,0]=4 429 B9R1.183 CCOC(=O)C1CC1C TS32692 [1,0,0,1,0,0|0,0,0]=2 430 B9R1.183 CCOC(=O)[C@@H]1C[C@H]1F TS36653 [1,0,0,1,0,0|1,0,0]=3 431 B9R1.183 CCOC(=O)[C@@H]1[C@@H](O1)C TS05523 [1,0,0,1,0,0|1,0,0]=3 432 B9R1.13 CC(C)CC1CCCC1 TS05219 [1,0,0,1,0,0|1,0,1]=4 433 B9R1.13 CC(C)CC1CCCC1 TS81235 [1,0,0,1,0,0|1,0,1]=4 434 B9R1.40 CC1CCCCC1(C)C TS05231 [1,0,0,1,0,0|1,0,1]=4 435 B9R1.1 CCC1CCC(CC1)C TS05205 [1,0,0,1,0,0|1,0,1]=4 436 B9R1.1 CC[C@H]1CC[C@@H](CC1)C TS05211 [1,0,0,1,0,0|1,0,1]=4 437 B9R1.1 CC[C@H]1CC[C@H](CC1)C TS05225 [1,0,0,1,0,0|1,0,1]=4 438 B9R1.10 C1CC(CCC1=O)(F)F TS05869 [1,0,0,1,0,0|2,0,0]=4 439 B9R1.10 CC1(CCC(=O)C=C1)C TS02215 [1,0,0,1,0,0|0,0,2]=4 440 B9R1.10 CC1(CCC(=O)CC1)C TS60034 [1,0,0,1,0,0|0,0,0]=2 441 B9R1.10 CC1(CCC(CC1)O)C TS16344 [1,0,0,1,0,0|0,0,2]=4 442 B9R1.10 CC1(COC(=O)OC1)C TS05528 [1,0,0,1,0,0|1,0,0]=3 443 B9R1.10 CC1(OCC(=O)CO1)C TS34634 [1,0,0,1,0,0|2,0,0]=4 444 B9R1.10 CC1CCC(CC1)(C)C TS05232 [1,0,0,1,0,0|1,0,1]=4 445 B9R1.10 C[N+]1(CCC(=O)CC1)C TS67677 [1,0,0,1,0,0|1,0,0]=3 446 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TS46612 [1,0,0,1,0,0|1,0,0]=3 447 B9R1.35 CC(C)[C@H]1COC(=O)N1 TS08657 [1,0,0,1,0,0|1,0,0]=3 448 B9R1.35 CC(C)[C@H]1COC(=S)N1 TS40330 [1,0,0,1,0,0|1,1,0]=4 449 B9R1.82 COC(=O)C1CC(=C)C1 TS88785 [1,0,0,1,0,0|0,0,2]=4 450 B9R1.82 COC(=O)C1CC(=O)C1 TS91060 [1,0,0,1,0,0|1,0,1]=4 451 B9R1.82 COC(=O)C1CC(C1)Cl TS87869 [1,0,0,1,0,0|1,0,0]=3 452 B9R1.82 COC(=O)C1CC(C1)O TS78287 [1,0,0,1,0,0|1,0,0]=3 453 B9R1.82 COC(=O)C1CC(C1)O TS91487 [1,0,0,1,0,0|1,0,0]=3 454 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N TS91360 [1,0,0,1,0,0|1,0,0]=3 455 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O TS85937 [1,0,0,1,0,0|1,0,0]=3 456 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N TS86335 [1,0,0,1,0,0|1,0,0]=3 457 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O TS87196 [1,0,0,1,0,0|1,0,0]=3 458 B9R1.133 CCC1=NC(CO1)(C)C TS05276 [1,0,0,1,0,0|2,0,0]=4 459 B9R1.138 CC1(COC(=O)C1O)C TS36471 [1,0,0,1,0,0|2,0,0]=4 460 B9R1.138 CC1(COC(=O)[C@@H]1O)C TS05534 [1,0,0,1,0,0|2,0,0]=4 461 B9R1.138 CC1(COC(=O)[C@H]1O)C TS46639 [1,0,0,1,0,0|2,0,0]=4 462 B9R1.34 CC1CC(=CC(=O)C1)C TS36008 [0,0,0,1,1,0|1,0,1]=4 463 B9R1.34 CC1CC(=O)CC(O1)C TS05346 [0,0,0,1,1,0|2,0,0]=4 464 B9R1.34 CC1CC(=O)OC(=O)C1 TS36277 [0,0,0,1,1,0|1,0,1]=4 465 B9R1.34 CC1CC(CC(=O)C1)C TS22764 [0,0,0,1,1,0|1,0,0]=3 466 B9R1.34 C[C@@H]1C[C@@H](CC(=O)C1)C TS36153 [0,0,0,1,1,0|1,0,0]=3 467 B9R1.38 CC1(CC(=O)OC1=C)C TS36116 [0,0,0,1,1,0|0,0,2]=4 468 B9R1.38 CC1(CC(=O)OC1=O)C TS36281 [0,0,0,1,1,0|1,0,1]=4 469 B9R1.66 CC1(CC(=O)CCO1)C TS08789 [0,0,0,1,1,0|2,0,0]=4 470 B9R1.66 CC1(CCCC(=O)C1)C TS05189 [0,0,0,1,1,0|1,0,0]=3 471 B9R1.66 CC1(CCOC(=O)C1)O TS05520 [0,0,0,1,1,0|1,0,0]=3 472 B9R1.66 C[C@]1(CCOC(=O)C1)O TS05519 [0,0,0,1,1,0|1,0,0]=3 473 B9R1.137 CC(C)OC(=O)C1CC1 TS36299 [0,0,0,1,1,0|2,0,0]=4 474 B11R1.15 CCOC(=O)C1CC(=O)NC1 TS59778 [0,0,0,1,0,1|1,0,1]=4 475 B11R1.15 CCOC(=O)N1CCC(=O)C1 TS77122 [0,0,0,1,0,1|1,0,1]=4 476 B11R1.15 CCOC(=O)[C@@H]1COC(=N1)C TS10835 [0,0,0,1,0,1|1,0,1]=4 477 B11R1.15 CCOC(=O)[C@@H]1C[C@H](CN1)O TS18141 [0,0,0,1,0,1|1,0,0]=3 478 B11R1.15 CCOC(=O)[C@H]1C[C@H](CN1)O TS42027 [0,0,0,1,0,1|1,0,0]=3 479 B11R1.90 CC(=CCC1CCCC1=O)C TS10223 [0,0,0,1,0,1|1,0,1]=4 480 B11R1.90 CC(C)CCC1CCOC1=O TS10716 [0,0,0,1,0,1|0,0,0]=2 481 B11R1.201 CCOC(=O)CC1CC(C1)O TS92773 [0,0,0,1,0,1|1,0,0]=3 482 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](C1)O TS92943 [0,0,0,1,0,1|1,0,0]=3 483 B11R1.201 CCOC(=O)C[C@H]1C[C@H](C1)O TS92188 [0,0,0,1,0,1|1,0,0]=3 484 B11R1.645 CC(C)CC1C(=O)OC(=O)N1 TS10840 [0,0,0,1,0,1|1,0,1]=4 485 B11R1.645 CC(C)C[C@H]1C(=O)OC(=O)N1 TS10834 [0,0,0,1,0,1|1,0,1]=4 486 B11R1.334 CCOC(=O)CC(=O)C1CC1 TS02735 [0,1,0,1,0,0|0,0,1]=3 487 B11R1.86 CN(C)CC1CCCCC1=O TS17388 [0,1,0,1,0,0|2,0,0]=4 488 B11R1.833 CCOC(=O)C1(CC(=O)C1)C TS92127 [0,1,0,1,0,0|1,0,1]=4 489 B11R1.833 CCOC(=O)[C@]1(C[C@@H](C1)N)C TS92211 [0,1,0,1,0,0|1,0,0]=3 490 B11R1.833 CCOC(=O)[C@]1(C[C@@H](C1)O)C TS92623 [0,1,0,1,0,0|1,0,0]=3 491 B11R1.833 CCOC(=O)[C@]1(C[C@H](C1)N)C TS91893 [0,1,0,1,0,0|1,0,0]=3 492 B11R1.833 CCOC(=O)[C@]1(C[C@H](C1)O)C TS91815 [0,1,0,1,0,0|1,0,0]=3 493 B11R1.21 CC1=CCC(CC1=O)C(C)C TS10213 [0,1,0,1,0,0|1,0,1]=4 494 B11R1.21 CC1CCC(CC1=O)C(C)C TS10483 [0,1,0,1,0,0|1,0,0]=3 495 B11R1.21 CC1CC[C@H](CC1=O)C(C)C TS10502 [0,1,0,1,0,0|1,0,0]=3 496 B11R2.613 CC1([C@@H]2[C@H]1C(=O)OC2=O)C TS33242 [0,0,0,2,0,0|1,0,1]=4 497 B11R2.35 C1CC(=O)CN(C1)C2CC2 TS00432 [0,0,0,2,0,0|2,0,0]=4 498 B7R0.2 CC(=CC(=O)OC)C TS08562 [1,0,0,0,1,0|0,0,2]=4 499 B7R0.2 CC(=O)CC(=O)OC TS32187 [1,0,0,0,1,0|1,0,1]=4 500 B7R0.2 CC(C)CC(=O)OC TS04588 [1,0,0,0,1,0|0,0,0]=2 501 B7R0.2 CC(C)CC(=O)SC TS05775 [1,0,0,0,1,0|0,1,0]=3 502 B7R0.2 CC(C)NC(=O)CCl TS06023 [1,0,0,0,1,0|2,0,0]=4 503 B7R0.2 CC(C)OC(=O)CCl TS37073 [1,0,0,0,1,0|2,0,0]=4 504 B7R0.2 CC(C)OC(=O)CN TS41311 [1,0,0,0,1,0|2,0,0]=4 505 B7R0.2 CC(C)OC(=O)CO TS32323 [1,0,0,0,1,0|2,0,0]=4 506 B7R0.2 CC(C)OC(=O)CS TS05924 [1,0,0,0,1,0|2,0,0]=4 507 B7R0.2 CC(CC(=O)OC)Br TS65942 [1,0,0,0,1,0|1,0,0]=3 508 B7R0.2 CCC(=C)CC(C)C TS04352 [1,0,0,0,1,0|1,0,0]=3 509 B7R0.2 CCC(=O)CC(=O)C TS00653 [1,0,0,0,1,0|1,0,1]=4 510 B7R0.2 CCC(=O)CC(C)C TS32113 [1,0,0,0,1,0|0,0,0]=2 511 B7R0.2 CCC(C)CC(C)C TS04502 [1,0,0,0,1,0|1,0,1]=4 512 B7R0.2 CCC(CC(C)C)O TS32246 [1,0,0,0,1,0|0,0,2]=4 513 B7R0.2 CN(C)CC(=O)OC TS04665 [1,0,0,0,1,0|1,0,0]=3 514 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [1,0,0,0,1,0|1,0,0]=3 515 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [1,0,0,0,1,0|1,0,0]=3 516 B7R0.5 CCC=C(C)C(C)C TS31953 [0,0,0,0,2,0|2,0,0]=4 517 B7R0.5 CCCC(=C)C(C)C TS04341 [0,0,0,0,2,0|2,0,0]=4 518 B7R0.5 CCCC(=O)C(C)C TS32114 [0,0,0,0,2,0|1,0,0]=3 519 B7R0.5 CCCC(=O)N(C)C TS32149 [0,0,0,0,2,0|2,0,0]=4 520 B7R0.5 CCOC(=O)C(=C)C TS00098 [0,0,0,0,2,0|0,0,2]=4 521 B7R0.5 CCOC(=O)C(=O)C TS01478 [0,0,0,0,2,0|1,0,1]=4 522 B7R0.5 CCOC(=O)C(Br)Br TS27397 [0,0,0,0,2,0|2,0,0]=4 523 B7R0.5 CCOC(=O)C(C)Br TS55906 [0,0,0,0,2,0|1,0,0]=3 524 B7R0.5 CCOC(=O)C(C)C TS32217 [0,0,0,0,2,0|0,0,0]=2 525 B7R0.5 CCOC(=O)C(C)Cl TS55916 [0,0,0,0,2,0|1,0,0]=3 526 B7R0.5 CCOC(=O)C(C)F TS32420 [0,0,0,0,2,0|1,0,0]=3 527 B7R0.5 CCOC(=O)C(C)N TS55877 [0,0,0,0,2,0|1,0,0]=3 528 B7R0.5 CCOC(=O)C(C)O TS04714 [0,0,0,0,2,0|1,0,0]=3 529 B7R0.5 CCOC(=O)C(C)S TS05920 [0,0,0,0,2,0|1,0,0]=3 530 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [0,0,0,0,2,0|2,0,0]=4 531 B7R0.5 CCOC(=O)C(F)Br TS15410 [0,0,0,0,2,0|2,0,0]=4 532 B7R0.5 CCOC(=O)C(F)Cl TS37443 [0,0,0,0,2,0|2,0,0]=4 533 B7R0.5 CCOC(=O)C(F)F TS39847 [0,0,0,0,2,0|2,0,0]=4 534 B7R0.5 CCOC(=O)C(F)I TS53245 [0,0,0,0,2,0|2,0,0]=4 535 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [0,0,0,0,2,0|1,0,0]=3 536 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [0,0,0,0,2,0|1,0,0]=3 537 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [0,0,0,0,2,0|1,0,0]=3 538 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [0,0,0,0,2,0|1,0,0]=3 539 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [0,0,0,0,2,0|1,0,0]=3 540 B11R0.176 CCOC(=O)CCCOC(=O)C TS45771 [0,0,0,0,0,2|1,0,1]=4 541 B11R0.176 CCSC(=O)NCCCN(C)C TS52447 [0,0,0,0,0,2|1,1,0]=4