0 B9R0.35 CCC=C(C)C(=O)OCC TS37603 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.35 CCCC(=O)C(=O)OCC TS85095 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.35 CCCC(C(=O)CCC)O TS40202 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.35 CCCC(C(=O)OCC)Br TS20692 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.35 CCCC(C(=O)OCC)O TS40414 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.35 CCCC(C)C(=O)CCC TS06752 [0,0,0,0,0,0|1,0,1]=2 6 B9R0.35 CCCC(C)C(=O)OCC TS06992 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.35 CCCC(C)C(CCC)O TS07017 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.35 CCC[C@@H](C(=O)OCC)N TS48149 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.35 CCNC(=O)C(=O)NCC TS40173 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.35 CCOC(=O)C(=O)OCC TS01436 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.35 CCOC(=O)C(CCBr)Br TS64882 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.35 CCOC(C(=O)OCC)Cl TS12302 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.35 CCOC(C(=O)OCC)O TS07404 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.35 CCOC(C)C(=O)OCC TS40412 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.1 C(CS)C(=O)OCCO TS40886 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.1 CCC#CC(=O)OCC TS36115 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.1 CCCC(=O)OCC=C TS05341 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.1 CCCC(=O)OCCC TS05549 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.1 CCCC(=O)OCSC TS07493 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.1 CCCCC(=O)C=CC TS05182 [1,0,0,0,0,0|0,0,3]=4 21 B8R0.1 CCCCC(=O)CCC TS36329 [1,0,0,0,0,0|0,0,1]=2 22 B8R0.1 CCCCC(=O)OCC TS36495 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.1 CCCCC(C)CCC TS05416 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.1 CCCCC(CCC)Br TS51606 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.1 CCCCC(CCC)Cl TS07522 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.1 CCCCC(CCC)I TS26461 [1,0,0,0,0,0|1,0,2]=4 27 B8R0.1 CCCCC(CCC)O TS36547 [1,0,0,0,0,0|0,0,3]=4 28 B8R0.1 CCCOC(=O)C=CC TS05345 [1,0,0,0,0,0|1,0,2]=4 29 B8R0.1 CCCOC(=O)CC#N TS36217 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.1 CCOC(=O)C=CCBr TS51583 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.1 CCOC(=O)CCCBr TS16550 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.1 CCOC(=O)CCCCl TS93676 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.1 CCOC(=O)CCCN TS43285 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.1 CCOC(=O)CCC[Zn+] TS68422 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.1 CCOCC(=O)OCC TS05732 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.3 CCC(C(=O)OCC)Br TS51943 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.3 CCC(C(=O)OCC)N TS05659 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.3 CCC(C(=O)OCC)O TS05723 [1,0,0,0,0,0|1,0,2]=4 39 B8R0.3 CCC(C)C(=O)OCC TS36496 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.3 CCCC(=O)C(C)CC TS36333 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.3 CCCC(C(=O)OC)Br TS93475 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.3 CCCC(C)C(=O)OC TS05547 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.3 CCOC(=O)C(=C)CBr TS00209 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.3 CCOC(=O)C(=C)CCl TS40705 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.3 CCOC(=O)C(=C)CO TS08483 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.3 CCOC(=O)C(=CC)C TS05350 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [1,0,0,0,0,0|2,0,0]=3 49 B10R0.19 CCCCC(=O)C(=O)OCC TS55416 [0,1,0,0,0,0|1,0,0]=2 50 B10R0.19 CCCCC(=O)C(C)CCC TS10768 [0,1,0,0,0,0|1,0,1]=3 51 B10R0.19 CCCCC(C(=O)OCC)Br TS50262 [0,1,0,0,0,0|2,0,1]=4 52 B10R0.19 CCOC(=O)[C@@H](CCSC)N TS44421 [0,1,0,0,0,0|2,0,1]=4 53 B10R0.19 CCOC(=O)[C@H](CCSC)N TS44422 [0,1,0,0,0,0|2,0,1]=4 54 B10R0.32 CCOC(=O)C(=O)CC(=O)C TS59537 [0,1,0,0,0,0|1,0,1]=3 55 B10R0.32 CCOC(=O)[C@@H](CC(C)C)N TS53581 [0,1,0,0,0,0|2,0,1]=4 56 B10R0.33 CCCN(C(=O)OCC)N=O TS42148 [0,1,0,0,0,0|2,0,0]=3 57 B10R0.35 CCC(C(=O)C(=O)OCC)Br TS23596 [0,1,0,0,0,0|1,0,0]=2 58 B10R0.35 CCCC(C)C(=O)C(C)CC TS10759 [0,1,0,0,0,0|1,0,1]=3 59 B10R0.35 CC[C@H](C)[C@@H](C(=O)OCC)N TS11168 [0,1,0,0,0,0|2,0,1]=4 60 B10R0.129 CCCC(C)(C(=O)OCC)N TS11171 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.2 CCN1CCNC(=O)C1=O TS16309 [0,0,0,1,0,0|2,0,0]=3 62 B10R1.4 CCCC1CCCCC1=O TS06512 [0,0,0,1,0,0|1,0,1]=3 63 B10R1.4 CCOC1CCCCC1=O TS06706 [0,0,0,1,0,0|2,0,1]=4 64 B10R1.7 C1CCCC(=O)C(CC1)Cl TS11339 [0,0,0,1,0,0|1,0,1]=3 65 B10R1.11 C1CCN(C1)C(=O)CCN TS47649 [0,0,0,1,0,0|3,0,0]=4 66 B10R1.11 CCCC(=O)C1CCCC1 TS67806 [0,0,0,1,0,0|1,0,1]=3 67 B10R1.11 CCOC(=O)C1CCCO1 TS64896 [0,0,0,1,0,0|1,0,2]=4 68 B10R1.11 CCOC(=O)[C@H]1CCCN1 TS14482 [0,0,0,1,0,0|2,0,1]=4 69 B10R1.401 CCOC(=O)C1(CCC1)N TS06862 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.401 CCOC(=O)C1(CCC1)N TS47801 [0,0,0,1,0,0|2,0,1]=4 71 B10R0.2 CCCC(=CC(=O)OCC)C TS10724 [0,0,0,0,0,1|2,0,0]=3 72 B10R0.2 CCCC(=O)CC(=O)CCC TS41656 [0,0,0,0,0,1|0,0,0]=1 73 B10R0.2 CCCC(=O)CC(=O)OCC TS41904 [0,0,0,0,0,1|1,0,0]=2 74 B10R0.2 CCCC(=O)OC(=O)CCC TS41897 [0,0,0,0,0,1|0,0,0]=1 75 B10R0.2 CCCC(CC(=O)OCC)O TS11265 [0,0,0,0,0,1|1,0,2]=4 76 B10R0.2 CCNC(=CC(=O)OCC)C TS70559 [0,0,0,0,0,1|3,0,0]=4 77 B10R0.2 CCOC(=CC(=O)OCC)C TS41894 [0,0,0,0,0,1|3,0,0]=4 78 B10R0.2 CCOC(=CC(=O)OCC)C TS41908 [0,0,0,0,0,1|3,0,0]=4 79 B10R0.2 CCOC(=CC(=O)OCC)N TS18144 [0,0,0,0,0,1|3,0,0]=4 80 B10R0.2 CCOC(=N)CC(=O)OCC TS64888 [0,0,0,0,0,1|3,0,0]=4 81 B10R0.2 CCOC(=O)CC(=O)COC TS11218 [0,0,0,0,0,1|2,0,0]=3 82 B10R0.2 CCOC(=O)CC(=O)OCC TS42278 [0,0,0,0,0,1|2,0,0]=3 83 B10R0.2 CCOC(=O)CC(=O)OCC TS74525 [0,0,0,0,0,1|2,0,0]=3 84 B10R0.2 CCOC(=O)NC(=O)OCC TS42277 [0,0,0,0,0,1|2,0,0]=3 85 B10R0.2 CCOC(=O)OC(=O)OCC TS42398 [0,0,0,0,0,1|2,0,0]=3 86 B10R0.2 CNCC(=O)OC(=O)CNC TS06668 [0,0,0,0,0,1|2,0,0]=3 87 B7R0.1 CCCC#CCCC TS31857 [2,0,0,0,0,0|0,0,2]=4 88 B7R0.1 CCCC=CC=CC TS31845 [2,0,0,0,0,0|0,0,2]=4 89 B7R0.1 CCCC=CCC=C TS31855 [2,0,0,0,0,0|0,0,2]=4 90 B7R0.1 CCCC=CCCC TS31958 [2,0,0,0,0,0|0,0,0]=2 91 B7R0.1 CCCC=CCCO TS04459 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.1 CCCC=COCC TS04469 [2,0,0,0,0,0|1,0,0]=3 93 B7R0.1 CCCCC=CCC TS04348 [2,0,0,0,0,0|0,0,2]=4 94 B7R0.1 CCCCC=CCC TS31974 [2,0,0,0,0,0|0,0,2]=4 95 B7R0.1 CCCCNCCC TS04557 [2,0,0,0,0,0|1,0,1]=4 96 B7R0.1 CCCCSCCC TS05790 [2,0,0,0,0,0|1,0,1]=4 97 B7R0.1 CCCSSCCC TS40941 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.1 COCC=CCOC TS04586 [2,0,0,0,0,0|2,0,0]=4 99 B7R0.3 CCC(=O)NCCO TS32284 [2,0,0,0,0,0|2,0,0]=4 100 B7R0.3 CCC=CC(=O)OC TS56262 [2,0,0,0,0,0|1,0,1]=4 101 B7R0.3 CCCCC(=C)CC TS04366 [2,0,0,0,0,0|1,0,1]=4 102 B7R0.3 CCCCC(=O)CC TS04462 [2,0,0,0,0,0|0,0,1]=3 103 B7R0.3 CCCCC(=O)NC TS32169 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.3 CCCCC(=O)OC TS32226 [2,0,0,0,0,0|1,0,1]=4 105 B7R0.3 CCCOC(=O)CCl TS06137 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.3 CCCOC(=O)CN TS41315 [2,0,0,0,0,0|2,0,0]=4 107 B7R0.3 CCCOC(=O)OC TS32321 [2,0,0,0,0,0|2,0,0]=4 108 B7R0.3 CCCSC(=O)CC TS05773 [2,0,0,0,0,0|1,0,0]=3 109 B7R0.7 C(CCl)C(=O)CCCl TS46816 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.7 C(CO)C(=O)CCO TS04717 [2,0,0,0,0,0|2,0,0]=4 111 B7R0.7 CCCC(=CCC)C TS31954 [2,0,0,0,0,0|1,0,0]=3 112 B7R0.7 CCCC(=O)CCC TS32100 [2,0,0,0,0,0|0,0,0]=2 113 B7R0.7 CCCC(=O)OCC TS32219 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.7 CCCC(=O)OCCl TS55810 [2,0,0,0,0,0|2,0,0]=4 115 B7R0.7 CCCC(=S)OCC TS05779 [2,0,0,0,0,0|1,1,0]=4 116 B7R0.7 CCCC(=S)OCC TS07488 [2,0,0,0,0,0|1,1,0]=4 117 B7R0.7 CCCC(C)CCC TS04512 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.7 CCCC(CCC)Br TS14339 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.7 CCCC(CCC)Cl TS36889 [2,0,0,0,0,0|1,0,1]=4 120 B7R0.7 CCCC(CCC)N TS02992 [2,0,0,0,0,0|1,0,1]=4 121 B7R0.7 CCCC(CCC)O TS04625 [2,0,0,0,0,0|0,0,2]=4 122 B7R0.7 CCCC(CCC)[Zn+] TS62077 [2,0,0,0,0,0|1,0,1]=4 123 B7R0.7 CCCN(C)CCC TS04549 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.7 CCCS(=O)CCC TS36875 [2,0,0,0,0,0|1,0,0]=3 125 B7R0.7 CCNC(=O)NCC TS04609 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.7 CCNC(=O)OCC TS04671 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.7 CCOC(=O)C=CC TS04436 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.7 CCOC(=O)CCBr TS08511 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.7 CCOC(=O)CCCl TS66003 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.7 CCOC(=O)CCI TS56139 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.7 CCOC(=O)CCN TS01886 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.7 CCOC(=O)CCN TS04667 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.7 CCOC(=O)CCS TS05923 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.7 CCOC(=O)CNC TS01479 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.7 CCOC(=O)COC TS32327 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.7 CCOC(=O)CSC TS05917 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.7 CCOC(=O)OCC TS32315 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.7 CCSC(=O)SCC TS40933 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.5 CCCC(=C(C)C)C TS04362 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.5 CCCC(=O)C(=O)C TS32062 [2,0,0,0,0,0|0,0,0]=2 142 B7R0.5 CCCC(=O)C(=O)O TS32183 [2,0,0,0,0,0|1,0,0]=3 143 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [2,0,0,0,0,0|1,0,0]=3 144 B7R0.5 CCCC(=O)C(C)C TS32114 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.5 CCCC(=O)N(C)C TS32149 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.5 CCCC(C)C(=O)C TS04464 [2,0,0,0,0,0|1,0,1]=4 147 B7R0.5 CCNC(=O)C(=C)C TS04389 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.5 CCOC(=O)C(=C)C TS00098 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.5 CCOC(=O)C(=O)C TS01478 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.5 CCOC(=O)C(=O)N TS32272 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.10 C(C(=O)C(=O)CBr)Br TS27074 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.10 CCC(=C(C)CC)C TS04354 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.10 CCC(=C(C)CC)C TS31959 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.10 CCC(C(=O)CC)O TS32221 [2,0,0,0,0,0|0,0,2]=4 156 B7R0.10 CCC(C)C(=O)CC TS04477 [2,0,0,0,0,0|1,0,1]=4 157 B7R0.10 CNC(=O)C(=O)NC TS32195 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.10 COC(=O)C(=O)CBr TS14714 [2,0,0,0,0,0|2,0,0]=4 159 B7R0.10 COC(=O)C(=O)OC TS39853 [2,0,0,0,0,0|2,0,0]=4 160 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [1,1,0,0,0,0|0,0,2]=4 161 B9R0.4 CCCCC(=O)CC(C)C TS37639 [1,1,0,0,0,0|0,0,1]=3 162 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [1,1,0,0,0,0|1,0,1]=4 163 B9R0.4 CCCOC(=O)CC(C)C TS40218 [1,1,0,0,0,0|1,0,0]=3 164 B9R0.5 CCC=CCC(=O)OCC TS06708 [1,1,0,0,0,0|1,0,1]=4 165 B9R0.5 CCCC#CC(=O)OCC TS06461 [1,1,0,0,0,0|1,0,1]=4 166 B9R0.5 CCCC=CC(=O)OCC TS06717 [1,1,0,0,0,0|1,0,0]=3 167 B9R0.5 CCCCCC(=O)CCC TS06764 [1,1,0,0,0,0|0,0,1]=3 168 B9R0.5 CCCCCC(=O)OCC TS06974 [1,1,0,0,0,0|1,0,1]=4 169 B9R0.5 CCCCOC(=O)CCC TS40200 [1,1,0,0,0,0|0,0,1]=3 170 B9R0.5 CCCCOC(=O)CCCl TS11957 [1,1,0,0,0,0|1,0,1]=4 171 B9R0.5 CCCCOC(=O)CCS TS11614 [1,1,0,0,0,0|1,0,1]=4 172 B9R0.5 CCOC(=O)CCCCBr TS20688 [1,1,0,0,0,0|1,0,1]=4 173 B9R0.5 CCOC(=O)CCCC[Zn+] TS33641 [1,1,0,0,0,0|1,0,1]=4 174 B9R0.5 CCOC=CC(=O)OCC TS06939 [1,1,0,0,0,0|1,0,1]=4 175 B9R0.5 CCOCCC(=O)OCC TS00147 [1,1,0,0,0,0|1,0,1]=4 176 B9R0.8 CCCCC(=O)C(C)CC TS37636 [1,1,0,0,0,0|0,0,1]=3 177 B9R0.8 CCCOC(=O)C(C)CC TS40216 [1,1,0,0,0,0|1,0,0]=3 178 B9R0.18 C(CC(=O)CCCCl)CCl TS48380 [1,1,0,0,0,0|1,0,1]=4 179 B9R0.18 CCCCC(=O)CCCC TS39918 [1,1,0,0,0,0|0,0,1]=3 180 B9R0.18 CCCCC(=O)OCCC TS06971 [1,1,0,0,0,0|0,0,1]=3 181 B9R0.18 CCCCS(=O)CCCC TS42514 [1,1,0,0,0,0|1,0,1]=4 182 B9R0.18 CCCC[Sn](=O)CCCC TS27846 [1,1,0,0,0,0|1,0,1]=4 183 B9R0.18 CCCNC(=O)NCCC TS00377 [1,1,0,0,0,0|1,0,0]=3 184 B9R0.18 CCCNC(=S)NCCC TS42227 [1,1,0,0,0,0|1,1,0]=4 185 B9R0.18 CCCOC(=O)OCCC TS40429 [1,1,0,0,0,0|1,0,0]=3 186 B9R0.18 CCCOS(=O)OCCC TS12274 [1,1,0,0,0,0|2,0,0]=4 187 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [1,1,0,0,0,0|0,0,2]=4 188 B9R0.48 CCCC(=O)OCC(C)C TS06993 [1,1,0,0,0,0|1,0,0]=3 189 B9R0.48 CCOC(=O)CCC(C)C TS06969 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.48 CCOC(=O)CCC(C)Cl TS09014 [1,1,0,0,0,0|1,0,1]=4 191 B9R0.6 CCCC(C)C(=O)C(C)C TS06761 [1,1,0,0,0,0|1,0,1]=4 192 B9R0.6 CCOC(=O)C(=O)C(C)C TS06953 [1,1,0,0,0,0|1,0,0]=3 193 B9R0.6 CCOC(=O)C(=O)N(C)C TS40286 [1,1,0,0,0,0|2,0,0]=4 194 B9R0.23 CC(=O)CC(=O)C(=O)OC TS40145 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.27 CCC(C)C(=O)C(C)CC TS06741 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.37 CCCC(=O)C(CC)CC TS06749 [1,1,0,0,0,0|1,0,1]=4 197 B9R0.37 CCCC(=O)N(CC)CC TS40109 [1,1,0,0,0,0|2,0,0]=4 198 B11R0.1 CCOC(=O)CC(=O)CC(C)C TS01151 [0,1,0,0,0,1|1,0,0]=3 199 B11R0.5 CCCCC(=O)CC(=O)OCC TS13187 [0,1,0,0,0,1|1,0,0]=3 200 B11R0.5 CCOC(=O)CC(=O)CCOC TS59777 [0,1,0,0,0,1|1,0,0]=3 201 B11R0.177 CCCC(=O)C(C)C(=O)OCC TS13177 [0,1,0,0,0,1|1,0,0]=3 202 B11R0.177 CCOC(=O)C(=C)C(=O)OCC TS45425 [0,1,0,0,0,1|2,0,0]=4 203 B11R0.177 CCOC(=O)C(=O)C(=O)OCC TS22796 [0,1,0,0,0,1|2,0,0]=4 204 B11R0.177 CCOC(=O)C(C(=O)OCC)Br TS39844 [0,1,0,0,0,1|2,0,0]=4 205 B11R0.177 CCOC(=O)C(C(=O)OCC)Cl TS09044 [0,1,0,0,0,1|2,0,0]=4 206 B11R0.177 CCOC(=O)C(C(=O)OCC)F TS01432 [0,1,0,0,0,1|2,0,0]=4 207 B11R0.177 CCOC(=O)C(C(=O)OCC)N TS01344 [0,1,0,0,0,1|2,0,0]=4 208 B11R0.177 CCOC(=O)C(C(=O)OCC)N TS59937 [0,1,0,0,0,1|2,0,0]=4 209 B11R0.177 CCOC(=O)C(C)C(=O)COC TS45751 [0,1,0,0,0,1|2,0,0]=4 210 B11R0.177 CCOC(=O)C(C)C(=O)OCC TS01435 [0,1,0,0,0,1|2,0,0]=4 211 B11R0.11 C(CCl)NC(=O)C(=O)NCCCl TS21438 [0,2,0,0,0,0|2,0,0]=4 212 B11R0.11 C(CO)NC(=O)C(=O)NCCO TS13801 [0,2,0,0,0,0|2,0,0]=4 213 B11R0.11 CCCCC(C(=O)CCCC)O TS45505 [0,2,0,0,0,0|0,0,2]=4 214 B11R0.11 CCCOC(=O)C(=O)OCCC TS45763 [0,2,0,0,0,0|0,0,0]=2 215 B11R0.186 CCOC(=O)C(=O)OC(C)(C)C TS90880 [0,2,0,0,0,0|2,0,0]=4 216 B11R0.57 CCCC(C(=O)C)C(=O)OCC TS45474 [0,2,0,0,0,0|1,0,1]=4 217 B11R0.179 CCN(CC)C(=O)C(=O)OCC TS13333 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.2 CCN1CCCC(=O)C1 TS11774 [1,0,0,1,0,0|1,0,1]=4 219 B9R1.2 CCN1CCCC(=O)C1 TS36243 [1,0,0,1,0,0|1,0,1]=4 220 B9R1.2 COC1=CC(=O)CCC1 TS05158 [1,0,0,1,0,0|1,0,1]=4 221 B9R1.8 C1CCC(=CC1)CCN TS05119 [1,0,0,1,0,0|2,0,0]=4 222 B9R1.8 CCOC1=CCCCC1 TS05194 [1,0,0,1,0,0|2,0,0]=4 223 B9R1.12 CCCCC1=CCCC1 TS05061 [1,0,0,1,0,0|1,0,1]=4 224 B9R1.15 CCC1C(=O)NCCN1 TS05358 [1,0,0,1,0,0|2,0,0]=4 225 B9R1.15 COC1CCCCC1=O TS05343 [1,0,0,1,0,0|1,0,1]=4 226 B9R1.15 COC1CCCNC1=O TS00160 [1,0,0,1,0,0|2,0,0]=4 227 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.15 CSC1CCCCC1=O TS40228 [1,0,0,1,0,0|1,0,1]=4 229 B9R1.27 CCC1C(CNC1=O)C TS36242 [1,0,0,1,0,0|1,0,0]=3 230 B9R1.33 C1CC(=O)N(C1)CCO TS36418 [1,0,0,1,0,0|2,0,0]=4 231 B9R1.33 CCCN1CCCC1=O TS05280 [1,0,0,1,0,0|1,0,0]=3 232 B9R1.48 CC1CC(=O)NCCN1 TS86852 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.50 C1CCCNC(=O)CC1 TS05275 [1,0,0,1,0,0|1,0,0]=3 234 B9R1.50 CC1=CCCCCCC1 TS05043 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.69 CC1CCC(=O)CC1C TS36162 [1,0,0,1,0,0|0,0,1]=3 236 B9R1.69 C[C@@H]1CCC(=O)C[C@H]1C TS05202 [1,0,0,1,0,0|0,0,1]=3 237 B9R1.69 C[C@H]1CCC(=O)C[C@H]1C TS36152 [1,0,0,1,0,0|0,0,1]=3 238 B9R1.73 CCOC(=O)C1CCC1 TS59781 [1,0,0,1,0,0|1,0,1]=4 239 B9R1.100 CCCNC(=O)C1CC1 TS05284 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.183 CCOC(=O)C1CC1C TS32692 [1,0,0,1,0,0|1,0,1]=4 241 B9R1.3 CC1CCCC(=O)C1=O TS05153 [1,0,0,1,0,0|0,0,0]=2 242 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.5 CN1CCCCCC1=O TS36239 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.11 COC(=O)C1=CCCC1 TS85230 [1,0,0,1,0,0|2,0,0]=4 245 B9R1.37 CC1C(=O)CC(=O)C1=O TS05133 [1,0,0,1,0,0|1,0,1]=4 246 B9R1.132 CCC1=C(C(=O)CC1)O TS05152 [1,0,0,1,0,0|0,0,2]=4 247 B11R1.30 CCOC(=O)C=C1CCCO1 TS10672 [0,0,0,1,0,1|1,0,1]=4 248 B11R1.199 CCOC(=O)C1=C(CCC1)N TS41519 [0,0,0,1,0,1|2,0,0]=4 249 B11R1.199 CCOC(=O)C1CCCC1=O TS08497 [0,0,0,1,0,1|1,0,0]=3 250 B11R1.199 CCOC(=O)C1CCNC1=O TS08498 [0,0,0,1,0,1|2,0,0]=4 251 B11R1.199 CCOC(=O)C1CSCC1=O TS86560 [0,0,0,1,0,1|2,0,0]=4 252 B11R1.334 CCOC(=O)CC(=O)C1CC1 TS02735 [0,0,0,1,0,1|1,0,0]=3 253 B11R1.16 CCCC(=O)C1CCCCC1 TS41427 [0,1,0,1,0,0|1,0,1]=4 254 B11R1.16 CCCC(=O)N1CCOCC1 TS41791 [0,1,0,1,0,0|2,0,0]=4 255 B11R1.17 CCCC=C1CCCCC1=O TS41180 [0,1,0,1,0,0|1,0,0]=3 256 B11R2.106 C1CC2C(=O)CCCN2C1 TS08529 [0,0,0,2,0,0|1,0,1]=4 257 B11R2.367 C=C1C(=O)C2CCN1CC2 TS20810 [0,0,0,2,0,0|2,0,0]=4 258 B11R2.20 C1CCC2=C(C1)CCCC2 TS06122 [0,0,0,2,0,0|2,0,0]=4 259 B11R2.2 C1CCC(=C2CCCC2)C1 TS37059 [0,0,0,2,0,0|2,0,0]=4 260 B11R0.62 CCOC(=O)C#CC(=O)OCC TS16804 [0,0,0,0,0,2|2,0,0]=4 261 B11R0.62 CCOC(=O)C=CC(=O)OCC TS45436 [0,0,0,0,0,2|2,0,0]=4 262 B11R0.62 CCOC(=O)C=CC(=O)OCC TS45444 [0,0,0,0,0,2|2,0,0]=4 263 B11R0.62 CCOC(=O)CCC(=O)OCC TS45753 [0,0,0,0,0,2|2,0,0]=4 264 B11R0.62 CCOC(=O)N=NC(=O)OCC TS55866 [0,0,0,0,0,2|2,0,0]=4 265 B11R0.62 CCOC(=O)NNC(=O)OCC TS13798 [0,0,0,0,0,2|2,0,0]=4