0 B7R0.7 C(OC(=O)OCCl)Cl TS42012 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CC=CC(=O)N=C=S TS05260 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.7 CC=CC(=O)OC=C TS31901 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.7 CCCC(=CCC)C TS31954 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.7 CCCC(=O)CCC TS32100 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.7 CCCC(=O)OC=C TS04453 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.7 CCCC(=O)OCC TS32219 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.7 CCCC(=O)OCCl TS55810 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.7 CCCC(=S)OCC TS05779 [0,0,0,0,0,0|0,1,2]=3 9 B7R0.7 CCCC(=S)OCC TS07488 [0,0,0,0,0,0|0,1,2]=3 10 B7R0.7 CCCC(C)OCC TS32250 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.7 CCCC(C=CC)O TS04465 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.7 CCCS(=O)CCC TS36875 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.7 CCNC(=O)NCC TS04609 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.7 CCNC(=O)OCC TS04671 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.7 CCNC(=S)NCC TS05780 [0,0,0,0,0,0|2,1,1]=4 16 B7R0.7 CCOC(=C)OCC TS56207 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.7 CCOC(=NC#N)C TS64892 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.7 CCOC(=O)C#CC TS08727 [0,0,0,0,0,0|0,0,2]=2 19 B7R0.7 CCOC(=O)C=CC TS04436 [0,0,0,0,0,0|0,0,0]=0 20 B7R0.7 CCOC(=O)C=CI TS52258 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.7 CCOC(=O)C=[N+]=[N-] TS77133 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.7 CCOC(=O)CC#C TS31911 [0,0,0,0,0,0|0,0,3]=3 23 B7R0.7 CCOC(=O)CC#N TS32007 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.7 CCOC(=O)CC=C TS04444 [0,0,0,0,0,0|0,0,2]=2 25 B7R0.7 CCOC(=O)CCBr TS08511 [0,0,0,0,0,0|1,0,2]=3 26 B7R0.7 CCOC(=O)CCCl TS66003 [0,0,0,0,0,0|1,0,2]=3 27 B7R0.7 CCOC(=O)CCI TS56139 [0,0,0,0,0,0|1,0,2]=3 28 B7R0.7 CCOC(=O)CCN TS01886 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.7 CCOC(=O)CCN TS04667 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.7 CCOC(=O)CCS TS05923 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [0,0,0,0,0,0|1,0,2]=3 32 B7R0.7 CCOC(=O)CNC TS01479 [0,0,0,0,0,0|1,0,1]=2 33 B7R0.7 CCOC(=O)CNN TS56149 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.7 CCOC(=O)COC TS32327 [0,0,0,0,0,0|1,0,1]=2 35 B7R0.7 CCOC(=O)CSC TS05917 [0,0,0,0,0,0|1,0,1]=2 36 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [0,0,0,0,0,0|1,0,2]=3 37 B7R0.7 CCOC(=O)N=C=O TS08726 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.7 CCOC(=O)N=C=S TS08471 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.7 CCOC(=O)NOC TS32378 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.7 CCOC(=O)OCC TS32315 [0,0,0,0,0,0|1,0,1]=2 41 B7R0.7 CCOC(=O)OCCl TS37245 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.7 CCOC(C)OCC TS04742 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.7 CCOC(OCC)[SiH3] TS36880 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.7 CCOP(C)OCC TS36977 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.7 CCOP(OCC)Cl TS10785 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.7 CCOP([O-])OCC TS01437 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.7 CCOS(=O)OCC TS06288 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.7 CCSC(=O)SCC TS40933 [0,0,0,0,0,0|1,1,1]=3 49 B6R0.1 C(C(=O)OCO)N TS05233 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.1 C=CC(=O)NCO TS31539 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.1 C=CC(=O)OC=C TS03768 [1,0,0,0,0,0|0,0,2]=3 52 B6R0.1 C=COC(=O)CBr TS42840 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.1 C=COC(=O)CCl TS32444 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.1 C=COC(=O)CI TS44096 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.1 CC#CC(=O)OC TS03761 [1,0,0,0,0,0|0,0,2]=3 56 B6R0.1 CC=C(C)CCO TS03864 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.1 CC=CC(=CC)C TS31385 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.1 CC=CC(=O)OC TS56315 [1,0,0,0,0,0|0,0,0]=1 59 B6R0.1 CCC(=O)C=CC TS31436 [1,0,0,0,0,0|0,0,0]=1 60 B6R0.1 CCC(=O)CC#N TS31393 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.1 CCC(=O)CSC TS32357 [1,0,0,0,0,0|1,0,1]=3 62 B6R0.1 CCC(=O)NCC TS03904 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.1 CCC(=O)OC=C TS31498 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.1 CCC(=O)OCC TS03938 [1,0,0,0,0,0|0,0,1]=2 65 B6R0.1 CCC(=O)SCC TS32362 [1,0,0,0,0,0|0,1,1]=3 66 B6R0.1 CCC(C)C=CC TS03791 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.1 CCC(C=CC)O TS03868 [1,0,0,0,0,0|0,0,2]=3 68 B6R0.1 CCC=C(C)C=O TS03779 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.1 CCCC(=C)C=O TS31425 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.1 CCCC(=C)CC TS03794 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.1 CCCC(=CC)C TS31455 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.1 CCCC(=O)CC TS31522 [1,0,0,0,0,0|0,0,2]=3 73 B6R0.1 CCCC(=O)NN TS31598 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.1 CCCC(=O)OC TS03955 [1,0,0,0,0,0|0,0,2]=3 75 B6R0.1 CCCC(=S)OC TS32358 [1,0,0,0,0,0|0,1,2]=4 76 B6R0.1 CCCC(C)C=C TS03798 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.1 CCCC(C=C)O TS03859 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.1 CCNC(=O)C=C TS03826 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.1 CCNC(=O)CCl TS04876 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.1 CCNC(=O)OC TS31636 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.1 CCOC(=O)C#C TS03762 [1,0,0,0,0,0|0,0,2]=3 82 B6R0.1 CCOC(=O)C#N TS31469 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.1 CCOC(=O)C=C TS33216 [1,0,0,0,0,0|0,0,0]=1 84 B6R0.1 CCOC(=O)C=O TS56148 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.1 CCOC(=O)CBr TS56141 [1,0,0,0,0,0|1,0,1]=3 86 B6R0.1 CCOC(=O)CCl TS39825 [1,0,0,0,0,0|1,0,1]=3 87 B6R0.1 CCOC(=O)CF TS65215 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.1 CCOC(=O)CN TS31646 [1,0,0,0,0,0|1,0,1]=3 89 B6R0.1 CCOC(=O)CN TS33221 [1,0,0,0,0,0|1,0,1]=3 90 B6R0.1 CCOC(=O)CO TS56147 [1,0,0,0,0,0|1,0,1]=3 91 B6R0.1 CCOC(=O)CS TS01466 [1,0,0,0,0,0|1,0,1]=3 92 B6R0.1 CCOC(=O)NC TS31637 [1,0,0,0,0,0|1,0,0]=2 93 B6R0.1 CCOC(=O)NN TS59780 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.1 CCOC(=O)NO TS04067 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.1 CCOC(=O)OC TS31662 [1,0,0,0,0,0|1,0,0]=2 96 B6R0.1 CCOC(=S)S[K] TS01641 [1,0,0,0,0,0|2,1,0]=4 97 B6R0.1 CCOC(=S)S[Na] TS39945 [1,0,0,0,0,0|2,1,0]=4 98 B6R0.1 CNCC(=O)OC TS01682 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.1 COC(=O)C=CN TS31544 [1,0,0,0,0,0|1,0,0]=2 100 B6R0.1 COC(=O)CC#N TS31466 [1,0,0,0,0,0|1,0,2]=4 101 B6R0.1 COC(=O)CC=C TS31502 [1,0,0,0,0,0|0,0,2]=3 102 B6R0.1 COC(=O)CCBr TS56269 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.1 COC(=O)CCCl TS04939 [1,0,0,0,0,0|1,0,2]=4 104 B6R0.1 COC(=O)CCN TS08577 [1,0,0,0,0,0|1,0,2]=4 105 B6R0.1 COC(=O)CCO TS65233 [1,0,0,0,0,0|1,0,2]=4 106 B6R0.1 COC(=O)CCS TS04824 [1,0,0,0,0,0|1,0,2]=4 107 B6R0.1 COC(=O)CSC TS39398 [1,0,0,0,0,0|1,0,1]=3 108 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.1 COC(=O)N=C=O TS03897 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.1 COCC(=O)OC TS39892 [1,0,0,0,0,0|1,0,1]=3 111 B6R0.6 CC=CC=CC#N TS71880 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.6 CC=CC=CC=O TS31368 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.6 CC=CC=CCO TS31427 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.6 CC=CCCCO TS31509 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.6 CC=CCCCO TS31521 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.6 CCC#COCC TS31433 [1,0,0,0,0,0|0,0,3]=4 117 B6R0.6 CCC=CCC=O TS31443 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.6 CCC=CCCO TS31511 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.6 CCC=CCCO TS31515 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.6 CCCC=CC=O TS31421 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.6 CCCC=CC=O TS31438 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.6 CCCC=CC=O TS31444 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.6 CCCC=CCO TS03865 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.6 CCCCC=CBr TS11653 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.6 CCCCC=CC TS03803 [1,0,0,0,0,0|1,0,1]=3 126 B6R0.6 CCCCOCC TS03964 [1,0,0,0,0,0|0,0,3]=4 127 B6R0.6 CCCSC=CC TS04637 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.6 CCOC=CC#N TS03748 [1,0,0,0,0,0|1,0,1]=3 129 B6R0.6 CCOCCOC TS04027 [1,0,0,0,0,0|1,0,2]=4 130 B6R0.6 CCOCOCC TS74492 [1,0,0,0,0,0|1,0,2]=4 131 B8R0.1 C(CS)C(=O)OCCO TS40886 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.1 CC=CC(=O)OCC=C TS36127 [0,1,0,0,0,0|0,0,1]=2 133 B8R0.1 CCC#CC(=O)OCC TS36115 [0,1,0,0,0,0|0,0,2]=3 134 B8R0.1 CCCC(=O)OCC=C TS05341 [0,1,0,0,0,0|0,0,3]=4 135 B8R0.1 CCCC(=O)OCCC TS05549 [0,1,0,0,0,0|0,0,2]=3 136 B8R0.1 CCCC(=O)OCSC TS07493 [0,1,0,0,0,0|0,0,2]=3 137 B8R0.1 CCCCC(=O)C=CC TS05182 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.1 CCCCC(=O)CCC TS36329 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.1 CCCCC(=O)OC=C TS05348 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.1 CCCCC(=O)OCC TS36495 [0,1,0,0,0,0|0,0,2]=3 141 B8R0.1 CCCCC(C=CC)O TS05375 [0,1,0,0,0,0|1,0,2]=4 142 B8R0.1 CCCOC(=O)C=CC TS05345 [0,1,0,0,0,0|0,0,0]=1 143 B8R0.1 CCCOC(=O)CC#N TS36217 [0,1,0,0,0,0|1,0,2]=4 144 B8R0.1 CCOC(=O)C=CC#N TS05080 [0,1,0,0,0,0|0,0,1]=2 145 B8R0.1 CCOC(=O)C=CC=O TS36273 [0,1,0,0,0,0|0,0,1]=2 146 B8R0.1 CCOC(=O)C=CCBr TS51583 [0,1,0,0,0,0|0,0,0]=1 147 B8R0.1 CCOC(=O)CCC=C TS05344 [0,1,0,0,0,0|0,0,2]=3 148 B8R0.1 CCOC(=O)CCC=O TS94704 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.1 CCOC(=O)CCCBr TS16550 [0,1,0,0,0,0|0,0,2]=3 150 B8R0.1 CCOC(=O)CCCCl TS93676 [0,1,0,0,0,0|0,0,2]=3 151 B8R0.1 CCOC(=O)CCCN TS43285 [0,1,0,0,0,0|0,0,2]=3 152 B8R0.1 CCOC(=O)CCC[Zn+] TS68422 [0,1,0,0,0,0|0,0,2]=3 153 B8R0.1 CCOC(=O)CN=C=O TS05435 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.1 CCOC(=O)CN=C=S TS40312 [0,1,0,0,0,0|1,0,2]=4 155 B8R0.1 CCOC(=O)CN=[N+]=[N-] TS05441 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.1 CCOC(=O)CNC=O TS05641 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.1 CCOC(=O)OCC=C TS05516 [0,1,0,0,0,0|0,0,2]=3 158 B8R0.1 CCOCC(=O)OCC TS05732 [0,1,0,0,0,0|0,0,2]=3 159 B8R0.3 CCC(C(=O)OCC)Br TS51943 [0,1,0,0,0,0|0,0,2]=3 160 B8R0.3 CCC(C(=O)OCC)N TS05659 [0,1,0,0,0,0|0,0,2]=3 161 B8R0.3 CCC(C(=O)OCC)O TS05723 [0,1,0,0,0,0|0,0,2]=3 162 B8R0.3 CCC(C)C(=O)C=CC TS05192 [0,1,0,0,0,0|1,0,0]=2 163 B8R0.3 CCC(C)C(=O)OCC TS36496 [0,1,0,0,0,0|0,0,2]=3 164 B8R0.3 CCC=C(C)C(CC)O TS36335 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.3 CCCC(=O)C(C)CC TS36333 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.3 CCOC(=O)C(=C)C#N TS05068 [0,1,0,0,0,0|1,0,1]=3 167 B8R0.3 CCOC(=O)C(=C)CBr TS00209 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.3 CCOC(=O)C(=C)CCl TS40705 [0,1,0,0,0,0|1,0,1]=3 169 B8R0.3 CCOC(=O)C(=C)CO TS08483 [0,1,0,0,0,0|1,0,1]=3 170 B8R0.3 CCOC(=O)C(=CC)C TS05350 [0,1,0,0,0,0|0,0,0]=1 171 B8R0.3 CCOC(=O)C(=NO)Cl TS55909 [0,1,0,0,0,0|2,0,0]=3 172 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [0,1,0,0,0,0|1,0,1]=3 173 B8R0.3 CCOC(=O)C(C#C)O TS36268 [0,1,0,0,0,0|0,0,3]=4 174 B8R0.3 CCOC(=O)C(C)C#N TS55919 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.3 CCOC(=O)C(CBr)Br TS08484 [0,1,0,0,0,0|1,0,2]=4 176 B8R0.3 CCOC(=O)C(CCl)Cl TS12952 [0,1,0,0,0,0|1,0,2]=4 177 B8R0.3 CCOC(=O)N(C)N=O TS36643 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.3 CCOC(=O)[C@@H](CO)N TS45049 [0,1,0,0,0,0|1,0,2]=4 179 B8R0.3 CCOC(=O)[C@H](C)OC TS05726 [0,1,0,0,0,0|1,0,1]=3 180 B8R0.3 CCOC(=O)[C@H](CO)N TS45053 [0,1,0,0,0,0|1,0,2]=4 181 B8R0.3 CCOC(=O)[C@H](CS)N TS15539 [0,1,0,0,0,0|1,0,2]=4 182 B8R0.5 CC(C)OC(=O)CC#N TS36220 [0,1,0,0,0,0|1,0,2]=4 183 B8R0.5 CC(C)OC(=O)CCS TS05774 [0,1,0,0,0,0|1,0,2]=4 184 B8R0.5 CC(C)OC(=O)OCCl TS64904 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.5 CCCC(=CC(=O)O)C TS36312 [0,1,0,0,0,0|3,0,0]=4 186 B8R0.5 CCCC(=O)CC(C)C TS05373 [0,1,0,0,0,0|1,0,2]=4 187 B8R0.5 CCCC(=O)OC(C)C TS05550 [0,1,0,0,0,0|0,0,2]=3 188 B8R0.5 CCNC(=CC(=O)C)C TS05283 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.5 CCNC(=O)CC(=O)C TS05458 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.5 CCOC(=O)C=C(C)C TS32816 [0,1,0,0,0,0|0,0,0]=1 191 B8R0.5 CCOC(=O)CC(=O)C TS41089 [0,1,0,0,0,0|0,0,1]=2 192 B8R0.5 CCOC(=O)CC(=O)C TS59779 [0,1,0,0,0,0|0,0,1]=2 193 B8R0.5 CCOC(=O)CC(=O)N TS01462 [0,1,0,0,0,0|1,0,1]=3 194 B8R0.5 CCOC(=O)CC(=O)O TS39886 [0,1,0,0,0,0|1,0,1]=3 195 B8R0.5 CCOC(=O)CC(=S)N TS07360 [0,1,0,0,0,0|1,0,1]=3 196 B8R0.5 CCOC(=O)CC(C)Br TS51949 [0,1,0,0,0,0|0,0,2]=3 197 B8R0.5 CCOC(=O)CC(C)C TS05548 [0,1,0,0,0,0|0,0,2]=3 198 B8R0.5 CCOC(=O)CC(C)N TS32698 [0,1,0,0,0,0|0,0,2]=3 199 B8R0.5 CCOC(=O)CC(C)O TS36658 [0,1,0,0,0,0|0,0,2]=3 200 B8R0.5 CCOC(=O)CN(C)C TS05660 [0,1,0,0,0,0|1,0,1]=3 201 B8R0.5 CCOC(=O)C[C@@H](C)O TS05718 [0,1,0,0,0,0|0,0,2]=3 202 B8R0.5 CCOC(=O)C[N+](=O)[O-] TS01470 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.5 CCOC(=O)C[S+](C)C TS52804 [0,1,0,0,0,0|1,0,1]=3 204 B8R0.5 CCOC(=O)NC(=O)C TS05638 [0,1,0,0,0,0|1,0,0]=2 205 B8R0.5 CCOC(=O)NC(=O)N TS36645 [0,1,0,0,0,0|2,0,0]=3 206 B8R0.5 CCOC(=O)OC(C)Cl TS10246 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.30 CCOP(=O)(N)OCC TS10283 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.30 CCOP(=O)(OCC)Cl TS13251 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.30 CCOP(=O)([O-])OCC TS10381 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.30 CCOS(=O)(=O)OCC TS41385 [0,1,0,0,0,0|2,0,1]=4 211 B8R1.4 C1CC(=CC(=O)C1)Br TS13615 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.4 C1CC(=CC(=O)C1)N TS39297 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.4 C1CC(=O)CC(=O)C1 TS39841 [0,0,0,1,0,0|2,0,1]=4 214 B8R1.4 C1CC(=O)NC(=O)C1 TS04369 [0,0,0,1,0,0|3,0,0]=4 215 B8R1.4 C1CC(=O)OC(=O)C1 TS56168 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.4 C1CNC(=O)CC1=O TS00654 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.4 C1CNC(=O)NC1=O TS32045 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.4 C1CNC(=O)OC1=O TS04515 [0,0,0,1,0,0|3,0,0]=4 219 B8R1.4 CC1=CC(=O)CCC1 TS04198 [0,0,0,1,0,0|1,0,0]=2 220 B8R1.4 CC1=CC(CCC1)O TS31949 [0,0,0,1,0,0|1,0,2]=4 221 B8R1.4 CC1=CCCC(=O)O1 TS31918 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.4 CC1CCCC(=C1)C TS48310 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.4 CC1CCCC(=O)O1 TS04447 [0,0,0,1,0,0|0,0,2]=3 224 B8R1.4 CC1CCOC(=O)C1 TS32063 [0,0,0,1,0,0|0,0,2]=3 225 B8R1.4 CN1CCCC(=O)C1 TS46998 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [0,0,0,1,0,0|1,0,2]=4 227 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [0,0,0,1,0,0|0,0,2]=3 228 B8R1.4 C[C@@H]1COCC(=O)N1 TS04524 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.4 Cc1cc(=O)[nH]nc1 TS31816 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.8 CCCc1ccco1 TS31836 [0,0,0,1,0,0|1,0,2]=4 231 B8R1.8 CCCc1cccs1 TS36171 [0,0,0,1,0,0|1,1,1]=4 232 B8R1.8 CCCc1ccsc1 TS36172 [0,0,0,1,0,0|3,0,0]=4 233 B8R1.8 CCNc1cccs1 TS36245 [0,0,0,1,0,0|1,1,1]=4 234 B8R1.8 CCOc1nccs1 TS05470 [0,0,0,1,0,0|1,1,1]=4 235 B8R1.11 C=CN1CCCC1=O TS04250 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.11 CCC1=C(CCC1)C TS04224 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.11 CCC1CCCC1=O TS31928 [0,0,0,1,0,0|1,0,2]=4 238 B8R1.11 CCN1CCCC1=O TS32015 [0,0,0,1,0,0|1,0,2]=4 239 B8R1.11 CCn1c(ccn1)N TS86902 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.18 C1=C(C(=O)OC1=O)Br TS46214 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.18 C1=C(C(=O)OC1=O)Cl TS36728 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.18 CC1=CC(=O)OC1=O TS22789 [0,0,0,1,0,0|1,0,1]=3 243 B8R1.18 CC1=CC(=O)OC1O TS32042 [0,0,0,1,0,0|1,0,0]=2 244 B8R1.18 CC1C(=NC(O1)C)C TS32019 [0,0,0,1,0,0|2,0,1]=4 245 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.18 CC1C(=O)NC(=O)N1 TS32050 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.18 CC1CC(=O)CC1C TS31939 [0,0,0,1,0,0|1,0,2]=4 248 B8R1.18 CC1CC(=O)OC1=O TS32036 [0,0,0,1,0,0|3,0,0]=4 249 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C TS04316 [0,0,0,1,0,0|1,0,2]=4 250 B8R1.18 C[C@H]1C(=O)OC(=O)N1 TS04514 [0,0,0,1,0,0|3,0,0]=4 251 B8R1.18 Cc1c([nH]c(=O)[nH]1)C TS04294 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.18 Cc1c(oc(=O)o1)C TS60038 [0,0,0,1,0,0|1,0,1]=3 253 B8R1.18 Cc1c(oc(n1)C)C TS00589 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.18 Cc1cc(c(o1)C)S TS36314 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.18 Cc1cc(n(n1)C)C TS00358 [0,0,0,1,0,0|3,0,0]=4 256 B8R1.18 Cc1cc(nn1C)Br TS13617 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.18 Cc1cc(nn1C)N TS31883 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.18 Cc1cc(sc1C)C TS36170 [0,0,0,1,0,0|1,1,1]=4 259 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,0,0,1,0,0|1,0,0]=2 260 B8R1.22 C1CCC(=O)NCC1 TS04386 [0,0,0,1,0,0|1,0,2]=4 261 B8R1.22 C1CCC(=O)NCC1 TS49157 [0,0,0,1,0,0|1,0,2]=4 262 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,0,0,1,0,0|0,0,2]=3 263 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,0,0,1,0,0|1,0,2]=4 264 B8R1.22 C1CNCC(=O)NC1 TS32078 [0,0,0,1,0,0|2,0,1]=4 265 B8R1.22 C=C1OCCCCO1 TS04434 [0,0,0,1,0,0|2,0,1]=4 266 B8R1.22 CC1=CCCCCC1 TS04216 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.37 CCOC(=O)C1CC1 TS32071 [0,0,0,1,0,0|0,0,2]=3 268 B8R1.37 CCOC(=O)C1CO1 TS01910 [0,0,0,1,0,0|1,0,1]=3 269 B8R1.37 CCOC(=O)[C@H]1CO1 TS32189 [0,0,0,1,0,0|1,0,1]=3 270 B5R0.1 C(=CCl)C(=O)O TS31733 [2,0,0,0,0,0|1,0,0]=3 271 B5R0.1 C(=CCl)C(=O)O TS59459 [2,0,0,0,0,0|1,0,0]=3 272 B5R0.1 C(=CI)C(=O)O TS53940 [2,0,0,0,0,0|1,0,0]=3 273 B5R0.1 C(OC(=O)Cl)Cl TS36381 [2,0,0,0,0,0|2,0,0]=4 274 B5R0.1 C=CCC(=O)O TS03525 [2,0,0,0,0,0|0,0,2]=4 275 B5R0.1 CC#CC(=O)O TS55183 [2,0,0,0,0,0|0,0,2]=4 276 B5R0.1 CC(=CC=C)C TS03470 [2,0,0,0,0,0|1,0,1]=4 277 B5R0.1 CC(=CC=O)C TS03497 [2,0,0,0,0,0|2,0,0]=4 278 B5R0.1 CC(=O)C=NO TS03554 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.1 CC(=O)CCO TS39752 [2,0,0,0,0,0|2,0,0]=4 280 B5R0.1 CC(=O)CCS TS31678 [2,0,0,0,0,0|2,0,0]=4 281 B5R0.1 CC(=O)COC TS03573 [2,0,0,0,0,0|1,0,1]=4 282 B5R0.1 CC(=O)CSC TS31685 [2,0,0,0,0,0|1,0,1]=4 283 B5R0.1 CC(=O)NCO TS08902 [2,0,0,0,0,0|2,0,0]=4 284 B5R0.1 CC(=O)NSC TS31708 [2,0,0,0,0,0|2,0,0]=4 285 B5R0.1 CC(=O)OC=C TS03528 [2,0,0,0,0,0|0,0,2]=4 286 B5R0.1 CC(=O)OC=O TS71794 [2,0,0,0,0,0|1,0,1]=4 287 B5R0.1 CC(=O)OCBr TS16534 [2,0,0,0,0,0|1,0,0]=3 288 B5R0.1 CC(=O)OCCl TS55809 [2,0,0,0,0,0|1,0,0]=3 289 B5R0.1 CC(=O)O[Hg]C TS30965 [2,0,0,0,0,0|1,0,0]=3 290 B5R0.1 CC=CC(=O)C TS03499 [2,0,0,0,0,0|0,0,0]=2 291 B5R0.1 CC=CC(=O)Cl TS04051 [2,0,0,0,0,0|1,0,0]=3 292 B5R0.1 CC=CC(=O)N TS03508 [2,0,0,0,0,0|1,0,0]=3 293 B5R0.1 CC=CC(=O)O TS03526 [2,0,0,0,0,0|0,0,0]=2 294 B5R0.1 CC=CC(=O)[O-] TS05036 [2,0,0,0,0,0|0,0,1]=3 295 B5R0.1 CC=CC(C)C TS71719 [2,0,0,0,0,0|1,0,1]=4 296 B5R0.1 CC=CC(C)O TS71747 [2,0,0,0,0,0|0,0,2]=4 297 B5R0.1 CCC=C(C)C TS71718 [2,0,0,0,0,0|1,0,1]=4 298 B5R0.1 CCCC(=C)C TS71722 [2,0,0,0,0,0|2,0,0]=4 299 B5R0.1 CCCC(=O)Br TS40964 [2,0,0,0,0,0|2,0,0]=4 300 B5R0.1 CCCC(=O)C TS71754 [2,0,0,0,0,0|1,0,0]=3 301 B5R0.1 CCCC(=O)Cl TS16539 [2,0,0,0,0,0|2,0,0]=4 302 B5R0.1 CCCC(=O)N TS03561 [2,0,0,0,0,0|2,0,0]=4 303 B5R0.1 CCCC(=O)O TS03572 [2,0,0,0,0,0|0,0,2]=4 304 B5R0.1 CCCC(=O)O TS63934 [2,0,0,0,0,0|0,0,2]=4 305 B5R0.1 CCCC(=O)[O-] TS04184 [2,0,0,0,0,0|2,0,0]=4 306 B5R0.1 CCCC(=O)[O-] TS04232 [2,0,0,0,0,0|2,0,0]=4 307 B5R0.1 CCCC(=O)[O-] TS44539 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.1 CCNC(=O)C TS03563 [2,0,0,0,0,0|1,0,0]=3 309 B5R0.1 CCNC(=O)N TS03591 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.1 CCOC(=C)C TS71753 [2,0,0,0,0,0|1,0,0]=3 311 B5R0.1 CCOC(=O)C TS03585 [2,0,0,0,0,0|0,0,0]=2 312 B5R0.1 CCOC(=O)C TS03625 [2,0,0,0,0,0|0,0,0]=2 313 B5R0.1 CCOC(=O)C TS71827 [2,0,0,0,0,0|0,0,0]=2 314 B5R0.1 CCOC(=O)Cl TS56143 [2,0,0,0,0,0|1,0,0]=3 315 B5R0.1 CCOC(=O)N TS59479 [2,0,0,0,0,0|1,0,0]=3 316 B5R0.1 CCOC(=S)C TS31684 [2,0,0,0,0,0|0,1,0]=3 317 B5R0.1 CCOC(=S)Cl TS36034 [2,0,0,0,0,0|1,1,0]=4 318 B5R0.1 CCOC(C)C TS03595 [2,0,0,0,0,0|1,0,1]=4 319 B5R0.1 CCOC(C)Cl TS04164 [2,0,0,0,0,0|1,0,1]=4 320 B5R0.1 CCO[SiH](C)C TS04048 [2,0,0,0,0,0|1,1,0]=4 321 B5R0.1 CCSC(=S)C TS32440 [2,0,0,0,0,0|0,2,0]=4 322 B5R0.1 CNCC(=O)O TS34582 [2,0,0,0,0,0|1,0,1]=4 323 B5R0.1 CNCC(=O)O TS36080 [2,0,0,0,0,0|1,0,1]=4 324 B5R0.1 COCC(=O)O TS03620 [2,0,0,0,0,0|1,0,1]=4 325 B5R0.2 CC=CC=CC TS71681 [2,0,0,0,0,0|0,0,1]=3 326 B5R0.2 CC=CC=CC TS71684 [2,0,0,0,0,0|0,0,1]=3 327 B5R0.2 CC=CCCO TS71749 [2,0,0,0,0,0|1,0,1]=4 328 B5R0.2 CCC#CC=C TS71669 [2,0,0,0,0,0|1,0,1]=4 329 B5R0.2 CCC=CC=C TS03467 [2,0,0,0,0,0|0,0,1]=3 330 B5R0.2 CCC=CC=O TS03498 [2,0,0,0,0,0|1,0,0]=3 331 B5R0.2 CCCCC=C TS71713 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.2 CCCOC=C TS29507 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.2 CCCOCC TS71799 [2,0,0,0,0,0|0,0,2]=4 334 B5R0.2 CCOC=CBr TS40963 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.2 CCOC=CC TS71751 [2,0,0,0,0,0|0,0,0]=2 336 B5R0.2 CCOCC=C TS71744 [2,0,0,0,0,0|0,0,1]=3 337 B5R0.2 CCSCC=C TS03981 [2,0,0,0,0,0|0,1,1]=4 338 B5R0.2 COC=CC#N TS71699 [2,0,0,0,0,0|1,0,1]=4 339 B5R0.2 COC=CC=O TS71739 [2,0,0,0,0,0|1,0,0]=3 340 B5R0.3 C=CC(=O)CBr TS00417 [2,0,0,0,0,0|1,0,0]=3 341 B5R0.3 CC=C(C)C=C TS03466 [2,0,0,0,0,0|1,0,1]=4 342 B5R0.3 CC=C(C)C=C TS71680 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.3 CC=C(CO)Br TS40966 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.3 CCC(=C)C=C TS71686 [2,0,0,0,0,0|1,0,0]=3 345 B5R0.3 CCC(=C)CC TS71714 [2,0,0,0,0,0|1,0,1]=4 346 B5R0.3 CCC(=O)C=C TS03496 [2,0,0,0,0,0|0,0,0]=2 347 B5R0.3 CCC(=O)C=O TS03524 [2,0,0,0,0,0|1,0,0]=3 348 B5R0.3 CCC(=O)CBr TS00020 [2,0,0,0,0,0|1,0,1]=4 349 B5R0.3 CCC(=O)CC TS00240 [2,0,0,0,0,0|0,0,1]=3 350 B5R0.3 CCC(=O)CCl TS31736 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.3 CCC(=O)CO TS05538 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.3 CCC(=O)NC TS03562 [2,0,0,0,0,0|1,0,0]=3 353 B5R0.3 CCC(=O)NN TS03589 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.3 CCC(=O)OC TS03587 [2,0,0,0,0,0|0,0,1]=3 355 B5R0.3 CCC(=S)OC TS31680 [2,0,0,0,0,0|0,1,1]=4 356 B5R0.3 CCC(C=C)O TS71760 [2,0,0,0,0,0|0,0,2]=4 357 B5R0.3 CCS(=O)CC TS04104 [2,0,0,0,0,0|1,0,1]=4 358 B5R0.3 CC[Sn](=O)CC TS17584 [2,0,0,0,0,0|1,0,1]=4 359 B5R0.3 CNC(=O)CCl TS04119 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.3 CNC(=O)CN TS36033 [2,0,0,0,0,0|2,0,0]=4 361 B5R0.3 CNC(=O)NC TS08682 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.3 COC(=O)C#C TS01555 [2,0,0,0,0,0|0,0,2]=4 363 B5R0.3 COC(=O)C#N TS71728 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.3 COC(=O)C=C TS03529 [2,0,0,0,0,0|0,0,0]=2 365 B5R0.3 COC(=O)C=O TS65230 [2,0,0,0,0,0|1,0,0]=3 366 B5R0.3 COC(=O)CBr TS08895 [2,0,0,0,0,0|1,0,1]=4 367 B5R0.3 COC(=O)CCl TS39826 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.3 COC(=O)CF TS65235 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.3 COC(=O)CN TS36079 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.3 COC(=O)CN TS93910 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.3 COC(=O)CO TS03617 [2,0,0,0,0,0|1,0,1]=4 372 B5R0.3 COC(=O)CS TS39888 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.3 COC(=O)NN TS65196 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.3 COC(=O)OC TS33240 [2,0,0,0,0,0|1,0,0]=3 375 B5R0.3 COC(=O)SCl TS36190 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.3 COS(=O)OC TS31831 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.3 CSC(=O)SC TS04928 [2,0,0,0,0,0|1,1,0]=4 378 B7R0.2 CC(=CC(=O)C)NC TS04388 [1,1,0,0,0,0|2,0,0]=4 379 B7R0.2 CC(=CC(=O)C)O[Ir] TS78858 [1,1,0,0,0,0|2,0,0]=4 380 B7R0.2 CC(=CC(=O)C)O[Tl] TS74884 [1,1,0,0,0,0|2,0,0]=4 381 B7R0.2 CC(=CC(=O)OC)C TS08562 [1,1,0,0,0,0|0,0,0]=2 382 B7R0.2 CC(=CC(=O)OC)N TS08575 [1,1,0,0,0,0|0,0,0]=2 383 B7R0.2 CC(=O)CC(=O)NC TS04520 [1,1,0,0,0,0|1,0,1]=4 384 B7R0.2 CC(=O)CC(=O)OC TS32187 [1,1,0,0,0,0|0,0,1]=3 385 B7R0.2 CC(=O)NC(=O)CN TS32199 [1,1,0,0,0,0|2,0,0]=4 386 B7R0.2 CC(=O)NC(=O)NC TS32196 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.2 CC(C)CC(=O)OC TS04588 [1,1,0,0,0,0|0,0,2]=4 388 B7R0.2 CC(C)CC(=O)SC TS05775 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.2 CC(C)NC(=O)C=C TS32016 [1,1,0,0,0,0|1,0,0]=3 390 B7R0.2 CC(C)OC(=O)C=C TS32061 [1,1,0,0,0,0|0,0,0]=2 391 B7R0.2 CC(C)OC(=O)CCl TS37073 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.2 CC(C)OC(=O)CN TS41311 [1,1,0,0,0,0|1,0,1]=4 393 B7R0.2 CC(C)OC(=O)CO TS32323 [1,1,0,0,0,0|1,0,1]=4 394 B7R0.2 CC(C)OC(=O)CS TS05924 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.2 CC(CC(=O)OC)Br TS65942 [1,1,0,0,0,0|0,0,2]=4 396 B7R0.2 CCC(=O)CC(=O)C TS00653 [1,1,0,0,0,0|0,0,1]=3 397 B7R0.2 CCC(=O)CC(C)C TS32113 [1,1,0,0,0,0|0,0,2]=4 398 B7R0.2 CN(C)CC(=O)OC TS04665 [1,1,0,0,0,0|1,0,1]=4 399 B7R0.2 COC(=O)CC(=O)[O-] TS04695 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.2 COC(=O)NC(=O)N TS04702 [1,1,0,0,0,0|2,0,0]=4 401 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [1,1,0,0,0,0|0,0,2]=4 402 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [1,1,0,0,0,0|0,0,2]=4 403 B7R0.3 C(C=CC(=O)CCl)N TS64929 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.3 C=CC(=O)NCCN TS94605 [1,1,0,0,0,0|1,0,0]=3 405 B7R0.3 C=CC(=O)OCC#C TS04190 [1,1,0,0,0,0|0,0,1]=3 406 B7R0.3 C=CC(=O)OCCBr TS47659 [1,1,0,0,0,0|0,0,0]=2 407 B7R0.3 C=CC(=O)OCCCl TS05938 [1,1,0,0,0,0|0,0,0]=2 408 B7R0.3 C=CC(=O)OCCO TS56178 [1,1,0,0,0,0|0,0,0]=2 409 B7R0.3 C=CCNC(=O)C=C TS31871 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.3 C=CCOC(=O)C=C TS31905 [1,1,0,0,0,0|0,0,1]=3 411 B7R0.3 CCC#CC(=O)OC TS31922 [1,1,0,0,0,0|0,0,2]=4 412 B7R0.3 CCC(=CCC=C)C TS04221 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.3 CCC(=O)NCCO TS32284 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.3 CCC(=O)OCC#C TS31921 [1,1,0,0,0,0|0,0,2]=4 415 B7R0.3 CCC(=O)OCC=C TS04450 [1,1,0,0,0,0|0,0,2]=4 416 B7R0.3 CCC(C)CC=CC TS31972 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.3 CCC=CC(=O)OC TS56262 [1,1,0,0,0,0|0,0,0]=2 418 B7R0.3 CCC=CC(C)CC TS31968 [1,1,0,0,0,0|1,0,1]=4 419 B7R0.3 CCCCC(=CC)C TS04336 [1,1,0,0,0,0|2,0,0]=4 420 B7R0.3 CCCCC(=O)CC TS04462 [1,1,0,0,0,0|0,0,2]=4 421 B7R0.3 CCCCC(=O)NC TS32169 [1,1,0,0,0,0|2,0,0]=4 422 B7R0.3 CCCCC(=O)OC TS32226 [1,1,0,0,0,0|0,0,2]=4 423 B7R0.3 CCCOC(=O)C=C TS04429 [1,1,0,0,0,0|0,0,0]=2 424 B7R0.3 CCCOC(=O)CCl TS06137 [1,1,0,0,0,0|1,0,1]=4 425 B7R0.3 CCCOC(=O)CN TS41315 [1,1,0,0,0,0|1,0,1]=4 426 B7R0.3 CCCOC(=O)OC TS32321 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.3 CCCSC(=O)CC TS05773 [1,1,0,0,0,0|0,0,2]=4 428 B7R0.3 CCOC=C(C)C=O TS04427 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.3 COC(=O)C#CCO TS32037 [1,1,0,0,0,0|0,0,2]=4 430 B7R0.3 COC(=O)C=CC=C TS31908 [1,1,0,0,0,0|0,0,1]=3 431 B7R0.3 COC(=O)C=CC=O TS04424 [1,1,0,0,0,0|0,0,1]=3 432 B7R0.3 COC(=O)C=CCBr TS47660 [1,1,0,0,0,0|0,0,0]=2 433 B7R0.3 COC(=O)C=CCBr TS93086 [1,1,0,0,0,0|0,0,0]=2 434 B7R0.3 COC(=O)CCC=O TS02246 [1,1,0,0,0,0|1,0,1]=4 435 B7R0.3 COC(=O)CCCBr TS09599 [1,1,0,0,0,0|0,0,2]=4 436 B7R0.3 COC(=O)CCCCl TS06131 [1,1,0,0,0,0|0,0,2]=4 437 B7R0.3 COC(=O)CCCI TS52575 [1,1,0,0,0,0|0,0,2]=4 438 B7R0.3 COC(=O)CCCN TS41316 [1,1,0,0,0,0|0,0,2]=4 439 B7R0.3 COC(=O)CCSC TS05919 [1,1,0,0,0,0|0,0,2]=4 440 B7R0.3 COC(=O)CNC=O TS32271 [1,1,0,0,0,0|1,0,1]=4 441 B7R0.3 COC(=O)OCC=C TS94827 [1,1,0,0,0,0|0,0,2]=4 442 B7R0.3 COC=CC(=O)OC TS32188 [1,1,0,0,0,0|0,0,0]=2 443 B7R0.3 COCCC(=O)OC TS32322 [1,1,0,0,0,0|0,0,2]=4 444 B7R0.5 CC(=C)C(=O)NCO TS04529 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.5 CC(=C)C(=O)OC=C TS31917 [1,1,0,0,0,0|0,0,2]=4 446 B7R0.5 CC=CC(C(C)C)O TS04483 [1,1,0,0,0,0|0,0,2]=4 447 B7R0.5 CCC=C(C)C(C)C TS31953 [1,1,0,0,0,0|1,0,1]=4 448 B7R0.5 CCC=C(C)C(C)O TS04482 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.5 CCCC(=C(C)C)C TS04362 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,1,0,0,0,0|1,0,0]=3 451 B7R0.5 CCCC(=O)C(=O)O TS32183 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.5 CCCC(=O)C(C)C TS32114 [1,1,0,0,0,0|0,0,2]=4 454 B7R0.5 CCCC(=O)N(C)C TS32149 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.5 CCNC(=O)C(=C)C TS04389 [1,1,0,0,0,0|1,0,0]=3 456 B7R0.5 CCOC(=C(F)F)F TS05121 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.5 CCOC(=O)C(=C)Br TS47658 [1,1,0,0,0,0|0,0,0]=2 458 B7R0.5 CCOC(=O)C(=C)C TS00098 [1,1,0,0,0,0|0,0,0]=2 459 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,1,0,0,0,0|0,0,0]=2 460 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [1,1,0,0,0,0|1,0,0]=3 461 B7R0.5 CCOC(=O)C(=O)N TS32272 [1,1,0,0,0,0|1,0,0]=3 462 B7R0.5 CCOC(=O)C(Br)Br TS27397 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.5 CCOC(=O)C(C)Br TS55906 [1,1,0,0,0,0|0,0,1]=3 464 B7R0.5 CCOC(=O)C(C)C TS32217 [1,1,0,0,0,0|0,0,1]=3 465 B7R0.5 CCOC(=O)C(C)Cl TS55916 [1,1,0,0,0,0|0,0,1]=3 466 B7R0.5 CCOC(=O)C(C)F TS32420 [1,1,0,0,0,0|0,0,1]=3 467 B7R0.5 CCOC(=O)C(C)N TS55877 [1,1,0,0,0,0|0,0,1]=3 468 B7R0.5 CCOC(=O)C(C)O TS04714 [1,1,0,0,0,0|0,0,1]=3 469 B7R0.5 CCOC(=O)C(C)S TS05920 [1,1,0,0,0,0|0,0,1]=3 470 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [1,1,0,0,0,0|1,0,1]=4 471 B7R0.5 CCOC(=O)C(F)Br TS15410 [1,1,0,0,0,0|1,0,1]=4 472 B7R0.5 CCOC(=O)C(F)Cl TS37443 [1,1,0,0,0,0|1,0,1]=4 473 B7R0.5 CCOC(=O)C(F)F TS39847 [1,1,0,0,0,0|1,0,1]=4 474 B7R0.5 CCOC(=O)C(F)I TS53245 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.5 CCOC(=O)N(Cl)Cl TS10930 [1,1,0,0,0,0|2,0,0]=4 476 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [1,1,0,0,0,0|0,0,1]=3 477 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [1,1,0,0,0,0|0,0,1]=3 478 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [1,1,0,0,0,0|0,0,1]=3 479 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [1,1,0,0,0,0|0,0,1]=3 480 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [1,1,0,0,0,0|0,0,1]=3 481 B7R0.5 CCOC(=S)C(=O)N TS01481 [1,1,0,0,0,0|1,1,0]=4 482 B7R0.10 CC(C(=O)OC)OC TS32317 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.10 CC(C(=O)OC)SC TS05922 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.10 CC=C(C(=O)OC)Br TS47656 [1,1,0,0,0,0|0,0,0]=2 485 B7R0.10 CC=C(C)C(=O)OC TS32064 [1,1,0,0,0,0|0,0,0]=2 486 B7R0.10 CC=C(C)C(=O)OC TS32066 [1,1,0,0,0,0|0,0,0]=2 487 B7R0.10 CCC(=C(C)CC)C TS04354 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.10 CCC(=C(C)CC)C TS31959 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.10 CCC(C(=O)CC)O TS32221 [1,1,0,0,0,0|0,0,2]=4 490 B7R0.10 CCC(C(=O)OC)Br TS65236 [1,1,0,0,0,0|0,0,2]=4 491 B7R0.10 CCC(C(=O)OC)Cl TS06135 [1,1,0,0,0,0|0,0,2]=4 492 B7R0.10 CCC(C(=O)OC)N TS41307 [1,1,0,0,0,0|0,0,2]=4 493 B7R0.10 CCC(C)C(=CC)C TS04350 [1,1,0,0,0,0|1,0,1]=4 494 B7R0.10 CCC(C)C(=O)CC TS04477 [1,1,0,0,0,0|0,0,2]=4 495 B7R0.10 CCC(C)C(=O)OC TS04590 [1,1,0,0,0,0|0,0,2]=4 496 B7R0.10 CCC(C)C(=O)SC TS05776 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.10 CNC(=O)C(=O)NC TS32195 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.10 COC(=O)C(=C)C#N TS04236 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.10 COC(=O)C(=C)CBr TS47657 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.10 COC(=O)C(=O)CBr TS14714 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.10 COC(=O)C(=O)OC TS39853 [1,1,0,0,0,0|1,0,0]=3 502 B7R0.10 COC(=O)C(C=C)O TS32185 [1,1,0,0,0,0|0,0,2]=4 503 B7R0.10 COC(C(=O)OC)O TS01782 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [1,1,0,0,0,0|1,0,1]=4 505 B7R0.12 CCC=C(CC)CC TS04344 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.1 CCC=CC=CC=O TS04199 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.1 CCC=CC=CCO TS31934 [1,1,0,0,0,0|1,0,0]=3 508 B7R0.1 CCC=CCCCO TS04463 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.1 CCCC=CC=CC TS31845 [1,1,0,0,0,0|1,0,0]=3 510 B7R0.1 CCCC=CCC=C TS31855 [1,1,0,0,0,0|1,0,1]=4 511 B7R0.1 CCCC=CCCC TS31958 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.1 CCCC=CCCO TS04459 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.1 CCCC=COCC TS04469 [1,1,0,0,0,0|0,0,1]=3 514 B7R0.1 CCCCC=CC=C TS31850 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.1 CCCCC=CC=O TS04311 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.1 CCCCC=CCC TS04348 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.1 CCCCC=CCC TS31974 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.1 CCCCC=CCO TS32112 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.1 CCCCCC=CC TS31964 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.4 CC(=O)OC=CC=C TS31913 [1,1,0,0,0,0|0,0,2]=4 521 B7R0.4 CC=CC=CC(=O)C TS31841 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.4 CC=CCCC(C)C TS31977 [1,1,0,0,0,0|1,0,1]=4 523 B7R0.4 CCC=CCC(C)C TS04361 [1,1,0,0,0,0|1,0,1]=4 524 B7R0.4 CCCC=CC(=O)C TS31936 [1,1,0,0,0,0|1,0,0]=3 525 B7R0.4 CCCC=CC(=O)O TS59547 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.4 CCCC=CC(C)C TS04365 [1,1,0,0,0,0|1,0,1]=4 527 B7R0.4 CCCCC=C(C)C TS04347 [1,1,0,0,0,0|1,0,1]=4 528 B7R0.4 CCOC=CC(=O)Cl TS05940 [1,1,0,0,0,0|1,0,0]=3 529 B7R0.4 CCOC=CC(=O)O TS32181 [1,1,0,0,0,0|1,0,0]=3 530 B7R0.4 CCOC=C[SiH](C)C TS05619 [1,1,0,0,0,0|0,1,0]=3 531 B7R0.4 CCOCCC(=O)C TS04589 [1,1,0,0,0,0|0,0,2]=4 532 B9R0.4 CC(=O)CC(=O)OCC=C TS06662 [0,2,0,0,0,0|0,0,2]=4 533 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [0,2,0,0,0,0|1,0,1]=4 534 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [0,2,0,0,0,0|0,0,1]=3 535 B9R0.4 CCCOC(=O)CC(C)C TS40218 [0,2,0,0,0,0|0,0,2]=4 536 B9R0.5 CCC=CCC(=O)OCC TS06708 [0,2,0,0,0,0|0,0,0]=2 537 B9R0.5 CCCC#CC(=O)OCC TS06461 [0,2,0,0,0,0|0,0,2]=4 538 B9R0.5 CCCC=CC(=O)OCC TS06717 [0,2,0,0,0,0|0,0,0]=2 539 B9R0.5 CCCCCC(=O)OCC TS06974 [0,2,0,0,0,0|0,0,2]=4 540 B9R0.5 CCCCOC(=O)CCC TS40200 [0,2,0,0,0,0|0,0,2]=4 541 B9R0.5 CCOC(=O)C=CC=CC TS37387 [0,2,0,0,0,0|0,0,0]=2 542 B9R0.5 CCOC(=O)CCCCBr TS20688 [0,2,0,0,0,0|0,0,2]=4 543 B9R0.5 CCOC(=O)CCCC[Zn+] TS33641 [0,2,0,0,0,0|0,0,2]=4 544 B9R0.5 CCOC(=O)CNCCN TS49565 [0,2,0,0,0,0|0,0,2]=4 545 B9R0.5 CCOC=CC(=O)OCC TS06939 [0,2,0,0,0,0|0,0,0]=2 546 B9R0.5 CCOCCC(=O)OCC TS00147 [0,2,0,0,0,0|0,0,2]=4 547 B9R0.8 CC=C(C)C(=O)OCC=C TS06474 [0,2,0,0,0,0|0,0,1]=3 548 B9R0.8 CCCOC(=O)C(=CC)C TS06700 [0,2,0,0,0,0|0,0,0]=2 549 B9R0.8 CCCOC(=O)C(C)CC TS40216 [0,2,0,0,0,0|0,0,2]=4 550 B9R0.18 C(CCl)OC(=O)OCCCl TS15753 [0,2,0,0,0,0|1,0,1]=4 551 B9R0.18 CCCCC(=O)OCCC TS06971 [0,2,0,0,0,0|0,0,2]=4 552 B9R0.18 CCCOC(=O)OCCC TS40429 [0,2,0,0,0,0|0,0,2]=4 553 B9R0.34 CCC(=O)CC(=O)OCC TS01475 [0,2,0,0,0,0|0,0,1]=3 554 B9R0.34 CCC(C)OC(=O)C=CC TS37594 [0,2,0,0,0,0|0,0,0]=2 555 B9R0.34 CCCC(=O)CC(=O)OC TS08578 [0,2,0,0,0,0|1,0,1]=4 556 B9R0.34 CCOC(=O)C=C(C)C=O TS37563 [0,2,0,0,0,0|0,0,0]=2 557 B9R0.34 CCOC(=O)C=C(C)CBr TS20309 [0,2,0,0,0,0|0,0,0]=2 558 B9R0.34 CCOC(=O)C=C(C)NC TS02839 [0,2,0,0,0,0|0,0,0]=2 559 B9R0.34 CCOC(=O)CC(=O)CBr TS70980 [0,2,0,0,0,0|0,0,1]=3 560 B9R0.34 CCOC(=O)CC(=O)CCl TS42828 [0,2,0,0,0,0|0,0,1]=3 561 B9R0.34 CCOC(=O)CC(=O)NN TS40379 [0,2,0,0,0,0|1,0,1]=4 562 B9R0.34 CCOC(=O)CC(C)SC TS11613 [0,2,0,0,0,0|0,0,2]=4 563 B9R0.34 CCOC(=O)C[C@@H](CBr)O TS21056 [0,2,0,0,0,0|0,0,2]=4 564 B9R0.34 CCOC(=O)C[C@@H](CCl)O TS08648 [0,2,0,0,0,0|0,0,2]=4 565 B9R0.34 CCOC(=O)C[C@H](CBr)O TS21055 [0,2,0,0,0,0|0,0,2]=4 566 B9R0.34 CCOC(=O)C[C@H](CCl)O TS39748 [0,2,0,0,0,0|0,0,2]=4 567 B9R0.34 CCOC(=O)NC(=O)CCl TS42960 [0,2,0,0,0,0|1,0,0]=3 568 B9R0.35 CCC=C(C)C(=O)OCC TS37603 [0,2,0,0,0,0|0,0,0]=2 569 B9R0.35 CCCC(=O)C(=O)OCC TS85095 [0,2,0,0,0,0|0,0,1]=3 570 B9R0.35 CCCC(C(=O)OCC)Br TS20692 [0,2,0,0,0,0|0,0,2]=4 571 B9R0.35 CCCC(C(=O)OCC)O TS40414 [0,2,0,0,0,0|0,0,2]=4 572 B9R0.35 CCCC(C)C(=O)OCC TS06992 [0,2,0,0,0,0|0,0,2]=4 573 B9R0.35 CCC[C@@H](C(=O)OCC)N TS48149 [0,2,0,0,0,0|0,0,2]=4 574 B9R0.35 CCNC(=O)C(=O)NCC TS40173 [0,2,0,0,0,0|1,0,1]=4 575 B9R0.35 CCOC(=O)C(=O)OCC TS01436 [0,2,0,0,0,0|0,0,1]=3 576 B9R0.35 CCOC(=O)C(C)C=C=C TS06463 [0,2,0,0,0,0|0,0,2]=4 577 B9R0.35 CCOC(=O)C(C)C=CC TS37595 [0,2,0,0,0,0|0,0,0]=2 578 B9R0.35 CCOC(=O)C(C)SSC TS14672 [0,2,0,0,0,0|1,0,1]=4 579 B9R0.35 CCOC(=O)C(CCBr)Br TS64882 [0,2,0,0,0,0|0,0,2]=4 580 B9R0.35 CCOC(C(=O)OCC)Cl TS12302 [0,2,0,0,0,0|0,0,2]=4 581 B9R0.35 CCOC(C(=O)OCC)O TS07404 [0,2,0,0,0,0|0,0,2]=4 582 B9R0.35 CCOC(C)C(=O)OCC TS40412 [0,2,0,0,0,0|0,0,2]=4 583 B9R0.48 CC(C)COC(=O)CC=C TS06693 [0,2,0,0,0,0|0,0,2]=4 584 B9R0.48 CC=CC(=O)OCC(C)C TS37601 [0,2,0,0,0,0|0,0,0]=2 585 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [0,2,0,0,0,0|1,0,1]=4 586 B9R0.48 CCCC(=O)OCC(C)C TS06993 [0,2,0,0,0,0|0,0,2]=4 587 B9R0.48 CCNC(=O)C=CC(=O)O TS40065 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.48 CCOC(=O)C=CC(=O)O TS06928 [0,2,0,0,0,0|0,0,1]=3 589 B9R0.48 CCOC(=O)C=CC(=O)[O-] TS60902 [0,2,0,0,0,0|0,0,1]=3 590 B9R0.48 CCOC(=O)C=CN(C)C TS08503 [0,2,0,0,0,0|0,0,0]=2 591 B9R0.48 CCOC(=O)CCC(=O)C TS60125 [0,2,0,0,0,0|0,0,1]=3 592 B9R0.48 CCOC(=O)CCC(=O)N TS40295 [0,2,0,0,0,0|1,0,1]=4 593 B9R0.48 CCOC(=O)CCC(=O)[O-] TS40374 [0,2,0,0,0,0|1,0,1]=4 594 B9R0.48 CCOC(=O)CCC(C)C TS06969 [0,2,0,0,0,0|0,0,2]=4 595 B9R0.48 CCOC(=O)CCC(C)Cl TS09014 [0,2,0,0,0,0|0,0,2]=4 596 B9R0.48 CCOC(=O)CCN(C)C TS07109 [0,2,0,0,0,0|0,0,2]=4 597 B9R0.48 CCOC(=O)CNC(=O)C TS40290 [0,2,0,0,0,0|0,0,1]=3 598 B9R0.48 CCOC(=O)CNC(=O)N TS40380 [0,2,0,0,0,0|1,0,1]=4 599 B9R0.6 CCOC(=O)C(=O)C(C)C TS06953 [0,2,0,0,0,0|0,0,1]=3 600 B9R0.6 CCOC(=O)C(=O)N(C)C TS40286 [0,2,0,0,0,0|1,0,0]=3 601 B9R0.6 CCOC(=O)C(C(=O)C)Cl TS00067 [0,2,0,0,0,0|0,0,1]=3 602 B9R0.6 CCOC(=O)C(C(=O)C)F TS40607 [0,2,0,0,0,0|0,0,1]=3 603 B9R0.6 CCOC(=O)C(C(C)Br)Br TS74395 [0,2,0,0,0,0|0,0,2]=4 604 B9R0.6 CCOC(=O)C(C(C)C)Br TS55905 [0,2,0,0,0,0|0,0,2]=4 605 B9R0.6 CCOC(=O)C(C(C)C)N TS48167 [0,2,0,0,0,0|0,0,2]=4 606 B9R0.6 CCOC(=O)C(C)C(=O)C TS00094 [0,2,0,0,0,0|0,0,1]=3 607 B9R0.6 CCOC(=O)[C@@H](C(C)C)N TS48159 [0,2,0,0,0,0|0,0,2]=4 608 B9R0.6 CCOC(=O)[C@H](C(C)C)N TS48151 [0,2,0,0,0,0|0,0,2]=4 609 B9R0.6 CCOC(=O)[C@H]([C@@H](C)O)N TS48480 [0,2,0,0,0,0|0,0,2]=4 610 B9R0.23 CC(C)OC(=O)C(=C)C#N TS06366 [0,2,0,0,0,0|1,0,1]=4 611 B9R0.23 CC=C(C)C(=O)OC(C)C TS06716 [0,2,0,0,0,0|0,0,0]=2 612 B9R0.23 CCC(C)C(=O)OC(C)C TS40221 [0,2,0,0,0,0|0,0,2]=4 613 B9R0.37 CCC(CC)C(=O)OCC TS40212 [0,2,0,0,0,0|0,0,2]=4 614 B9R0.37 CCOC(=O)C(=NO)C#N TS32705 [0,2,0,0,0,0|1,0,1]=4 615 B9R0.37 CCOC(=O)C(C=O)C=O TS86342 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.44 CC(C)(C)OC(=O)CNC TS01707 [0,2,0,0,0,0|1,0,1]=4 617 B9R0.44 CC=CC(=O)OC(C)(C)C TS06699 [0,2,0,0,0,0|0,0,0]=2 618 B9R0.44 CC=CC(=O)O[Si](C)(C)C TS11051 [0,2,0,0,0,0|0,1,0]=3 619 B9R0.44 CCOC(=O)CC(C)(C)C TS06982 [0,2,0,0,0,0|0,0,2]=4 620 B9R0.44 CCOC(=O)CS(=O)(=O)C TS43088 [0,2,0,0,0,0|1,0,1]=4 621 B9R0.44 CCOC(=O)C[Si](C)(C)C TS11315 [0,2,0,0,0,0|0,1,1]=4 622 B9R0.53 CC(=CC(=O)C=C(C)C)C TS59935 [0,2,0,0,0,0|1,0,1]=4 623 B9R0.53 CC(C)CC(=O)CC(=O)C TS06714 [0,2,0,0,0,0|1,0,1]=4 624 B9R0.53 CC(C)CC(=O)OC(C)C TS40215 [0,2,0,0,0,0|0,0,2]=4 625 B9R0.53 CC(C)OC(=O)C=C(C)N TS01510 [0,2,0,0,0,0|0,0,0]=2 626 B9R0.53 CC(C)OC(=O)CC(=O)C TS06935 [0,2,0,0,0,0|0,0,1]=3 627 B9R0.53 CC(C)OC(=O)OC(C)C TS07212 [0,2,0,0,0,0|1,0,1]=4 628 B9R0.53 CC(C)OC(=O)OC(C)Cl TS12301 [0,2,0,0,0,0|1,0,1]=4 629 B9R0.53 CC(C)SC(=O)C=C(C)C TS11047 [0,2,0,0,0,0|0,1,0]=3 630 B9R0.15 CCCC(=CC=C)C(=O)O TS06475 [0,2,0,0,0,0|1,0,1]=4 631 B9R0.15 CCCC(=CCC)C(=O)O TS37607 [0,2,0,0,0,0|1,0,1]=4 632 B9R0.15 CCCC(C=CC)C(=O)O TS37604 [0,2,0,0,0,0|1,0,1]=4 633 B9R0.17 CCOC(C=CC)OCC TS06973 [0,2,0,0,0,0|0,0,2]=4 634 B7R1.1 C=CC1OCCO1 TS03848 [1,0,0,1,0,0|0,0,2]=4 635 B7R1.1 CC=C1CCCC1 TS03729 [1,0,0,1,0,0|2,0,0]=4 636 B7R1.1 CCC1=CCCC1 TS03731 [1,0,0,1,0,0|1,0,1]=4 637 B7R1.1 CCC1=NCCO1 TS03816 [1,0,0,1,0,0|1,0,1]=4 638 B7R1.1 CCC1CCC=C1 TS03720 [1,0,0,1,0,0|1,0,1]=4 639 B7R1.1 CCc1cc[nH]c1 TS03698 [1,0,0,1,0,0|2,0,0]=4 640 B7R1.1 CCc1ccc[nH]1 TS03700 [1,0,0,1,0,0|1,0,1]=4 641 B7R1.1 CCc1ccco1 TS31365 [1,0,0,1,0,0|0,0,2]=4 642 B7R1.1 CCc1cccs1 TS04335 [1,0,0,1,0,0|0,1,1]=4 643 B7R1.1 CCc1ccsc1 TS04333 [1,0,0,1,0,0|2,0,0]=4 644 B7R1.1 COc1ccco1 TS03757 [1,0,0,1,0,0|0,0,2]=4 645 B7R1.1 COc1cccs1 TS39279 [1,0,0,1,0,0|0,1,1]=4 646 B7R1.1 COc1ccsc1 TS70649 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.2 C1=CC(=O)OC1=O TS03751 [1,0,0,1,0,0|1,0,1]=4 648 B7R1.2 C1C(=O)C=C(N1)O TS31463 [1,0,0,1,0,0|2,0,0]=4 649 B7R1.2 C1C(=O)NC(=O)O1 TS31533 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [1,0,0,1,0,0|2,0,0]=4 651 B7R1.2 C1C(OC(=O)O1)F TS31724 [1,0,0,1,0,0|2,0,0]=4 652 B7R1.2 C1CC(=O)CC1=O TS46791 [1,0,0,1,0,0|1,0,1]=4 653 B7R1.2 C1CC(=O)NC1=O TS31467 [1,0,0,1,0,0|2,0,0]=4 654 B7R1.2 C1CC(=O)OC1=O TS31489 [1,0,0,1,0,0|2,0,0]=4 655 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [1,0,0,1,0,0|2,0,0]=4 656 B7R1.2 C=C1CCC(=O)O1 TS03758 [1,0,0,1,0,0|1,0,1]=4 657 B7R1.2 CC1=CC(=O)CC1 TS60019 [1,0,0,1,0,0|0,0,0]=2 658 B7R1.2 CC1=CC(=O)OC1 TS03763 [1,0,0,1,0,0|0,0,0]=2 659 B7R1.2 CC1=CCC(=O)O1 TS03764 [1,0,0,1,0,0|0,0,2]=4 660 B7R1.2 CC1=NOC(=O)C1 TS15601 [1,0,0,1,0,0|1,0,1]=4 661 B7R1.2 CC1COC(=O)O1 TS08062 [1,0,0,1,0,0|1,0,0]=3 662 B7R1.2 CC1COC(=O)O1 TS93060 [1,0,0,1,0,0|1,0,0]=3 663 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,0,0,1,0,0|0,0,1]=3 664 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [1,0,0,1,0,0|1,0,1]=4 665 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [1,0,0,1,0,0|1,0,1]=4 666 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [1,0,0,1,0,0|1,0,0]=3 667 B7R1.2 Cc1cc(on1)C TS08855 [1,0,0,1,0,0|2,0,0]=4 668 B7R1.2 Cc1cc(on1)N TS02058 [1,0,0,1,0,0|2,0,0]=4 669 B7R1.2 Cc1ccc(o1)C TS31370 [1,0,0,1,0,0|1,0,1]=4 670 B7R1.3 C1CC(=O)CNC1 TS02886 [1,0,0,1,0,0|1,0,1]=4 671 B7R1.3 C1CC(=O)CNC1 TS59353 [1,0,0,1,0,0|1,0,1]=4 672 B7R1.3 C1CC(=O)COC1 TS22954 [1,0,0,1,0,0|1,0,1]=4 673 B7R1.3 C1CC(=O)COC1 TS89862 [1,0,0,1,0,0|1,0,1]=4 674 B7R1.3 C1CC(=O)CSC1 TS90226 [1,0,0,1,0,0|1,0,1]=4 675 B7R1.3 C1CC=CC(=O)C1 TS39840 [1,0,0,1,0,0|0,0,0]=2 676 B7R1.3 C1CC=CC(C1)Br TS11359 [1,0,0,1,0,0|1,0,1]=4 677 B7R1.3 C1CC=CC(C1)Cl TS04653 [1,0,0,1,0,0|1,0,1]=4 678 B7R1.3 C1CC=CC(C1)O TS59964 [1,0,0,1,0,0|0,0,2]=4 679 B7R1.3 C1CCC(=CC1)Cl TS04654 [1,0,0,1,0,0|1,0,1]=4 680 B7R1.3 C1CCC(=O)CC1 TS31441 [1,0,0,1,0,0|0,0,2]=4 681 B7R1.3 C1CCNC(=O)C1 TS01420 [1,0,0,1,0,0|1,0,1]=4 682 B7R1.3 C1CCOC(=O)C1 TS01892 [1,0,0,1,0,0|0,0,1]=3 683 B7R1.3 C1CNC(=O)NC1 TS59429 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.3 C1COC(=O)C=C1 TS03767 [1,0,0,1,0,0|0,0,0]=2 685 B7R1.3 C1COC(=O)CO1 TS31576 [1,0,0,1,0,0|1,0,1]=4 686 B7R1.3 C1COC(=O)OC1 TS31584 [1,0,0,1,0,0|1,0,0]=3 687 B7R1.3 C1COS(=O)OC1 TS85276 [1,0,0,1,0,0|2,0,0]=4 688 B7R1.3 c1ccoc(=O)c1 TS03711 [1,0,0,1,0,0|0,0,2]=4 689 B7R1.4 C1COC(=O)C1Br TS65029 [1,0,0,1,0,0|1,0,1]=4 690 B7R1.4 C1COC(=O)C1O TS70622 [1,0,0,1,0,0|1,0,1]=4 691 B7R1.4 C1COC(=O)N1N TS03931 [1,0,0,1,0,0|2,0,0]=4 692 B7R1.4 C1COC(=O)N1N TS18967 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [1,0,0,1,0,0|1,0,1]=4 694 B7R1.4 C1COC(=O)[C@H]1N TS37131 [1,0,0,1,0,0|1,0,1]=4 695 B7R1.4 C=C1CCOC1=O TS46473 [1,0,0,1,0,0|0,0,0]=2 696 B7R1.4 CC1=C(CCC1)C TS03727 [1,0,0,1,0,0|2,0,0]=4 697 B7R1.4 CC1=C(CCO1)S TS04610 [1,0,0,1,0,0|2,0,0]=4 698 B7R1.4 CC1=C(CCO1)S TS11013 [1,0,0,1,0,0|2,0,0]=4 699 B7R1.4 CC1=CCCC1=O TS31367 [1,0,0,1,0,0|1,0,1]=4 700 B7R1.4 CC1=CCOC1=O TS03756 [1,0,0,1,0,0|0,0,1]=3 701 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,1,0,0|1,0,1]=4 702 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,1,0,0|1,0,1]=4 703 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,1,0,0|0,0,1]=3 704 B7R1.4 CN1CCCC1=O TS46986 [1,0,0,1,0,0|2,0,0]=4 705 B7R1.4 Cn1c(=O)ccs1 TS41073 [1,0,0,1,0,0|2,0,0]=4 706 B7R1.21 CC=CC1(CC1)N TS31406 [1,0,0,1,0,0|1,0,1]=4 707 B7R1.22 COC(=O)C1CC1 TS77154 [1,0,0,1,0,0|0,0,2]=4 708 B7R1.22 COC(=O)C1CN1 TS31541 [1,0,0,1,0,0|1,0,1]=4 709 B7R1.22 COC(=O)[C@@H]1CN1 TS31535 [1,0,0,1,0,0|1,0,1]=4 710 B7R1.22 COC(=O)[C@@H]1CO1 TS31582 [1,0,0,1,0,0|1,0,1]=4 711 B7R1.22 COC(=O)[C@H]1CN1 TS31537 [1,0,0,1,0,0|1,0,1]=4 712 B7R1.22 COC(=O)[C@H]1CO1 TS46617 [1,0,0,1,0,0|1,0,1]=4 713 B7R1.24 C1C=CCOCO1 TS03849 [1,0,0,1,0,0|1,0,1]=4 714 B7R1.24 C1CC=CC=CC1 TS03682 [1,0,0,1,0,0|1,0,0]=3 715 B7R1.24 C1CCC=CCC1 TS31384 [1,0,0,1,0,0|1,0,1]=4 716 B9R1.2 C1C=CC(=O)O[C@@H]1CCl TS07277 [0,1,0,1,0,0|0,0,0]=2 717 B9R1.2 COC1=CC(=O)CCC1 TS05158 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.7 CCOC1=CC(=O)CC1 TS36121 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.7 CCOc1[nH]c(nn1)C TS36231 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.7 CCOc1nc(cs1)Br TS43390 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.8 CCOC1=CCCCC1 TS05194 [0,1,0,1,0,0|1,0,1]=4 722 B9R1.8 CCOC1CCC=CO1 TS36292 [0,1,0,1,0,0|1,0,1]=4 723 B9R1.8 CCOc1ccccc1 TS04896 [0,1,0,1,0,0|1,0,1]=4 724 B9R1.8 CCOc1ccccn1 TS55309 [0,1,0,1,0,0|1,0,1]=4 725 B9R1.8 CCOc1ccncc1 TS04974 [0,1,0,1,0,0|1,0,1]=4 726 B9R1.8 CCOc1cnccn1 TS05010 [0,1,0,1,0,0|1,0,1]=4 727 B9R1.15 C1CCC(=O)C(=CO)C1 TS36117 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.15 CC=C1CCCCC1=O TS36005 [0,1,0,1,0,0|1,0,0]=3 729 B9R1.22 CCn1c(cc(n1)C)C TS77178 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.22 CCn1c(cc(n1)C)N TS36072 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.22 CCn1c(cc(n1)N)C TS36071 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.22 Cc1c(oc(=O)o1)CBr TS17596 [0,1,0,1,0,0|1,0,1]=4 733 B9R1.22 Cc1c(oc(=O)o1)CCl TS71084 [0,1,0,1,0,0|1,0,1]=4 734 B9R1.22 Cc1cc(c(o1)C)CN TS36058 [0,1,0,1,0,0|1,0,1]=4 735 B9R1.27 CCC1=C(CNC1=O)C TS16736 [0,1,0,1,0,0|1,0,1]=4 736 B9R1.27 CCN1C(=O)C=CC1=O TS05067 [0,1,0,1,0,0|1,0,1]=4 737 B9R1.27 CCc1c(c[nH]c1C)C TS32587 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.33 C1COC(=O)N1CCO TS05635 [0,1,0,1,0,0|1,0,1]=4 739 B9R1.48 C1CCC(=O)CC(=O)C1 TS36124 [0,1,0,1,0,0|1,0,1]=4 740 B9R1.48 C1CCC(=O)OC(=O)C1 TS36278 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.48 CC1=CC(=NCCN1)C TS52091 [0,1,0,1,0,0|2,0,0]=4 742 B9R1.73 CCOC(=O)C1CCC1 TS59781 [0,1,0,1,0,0|0,0,2]=4 743 B9R1.73 CCOC(=O)C1CNC1 TS42980 [0,1,0,1,0,0|0,0,2]=4 744 B9R1.75 CCOC(=O)C[C@@H]1CO1 TS05527 [0,1,0,1,0,0|0,0,2]=4 745 B9R1.183 CCOC(=O)C1CC1C TS32692 [0,1,0,1,0,0|0,0,2]=4 746 B9R1.183 CCOC(=O)[C@@H]1C[C@H]1F TS36653 [0,1,0,1,0,0|0,0,2]=4 747 B9R1.183 CCOC(=O)[C@@H]1[C@@H](O1)C TS05523 [0,1,0,1,0,0|0,0,2]=4 748 B9R1.3 C1CC(=C(C(=O)C1)Cl)O TS07278 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,1,0,1,0,0|1,0,1]=4 750 B9R1.37 CC1=C(C(=O)OC1=O)C TS22983 [0,1,0,1,0,0|1,0,1]=4 751 B9R1.37 CC1C(=C(C(=O)O1)O)C TS36275 [0,1,0,1,0,0|0,0,0]=2 752 B9R1.37 CC1C(=O)C(=C(O1)C)O TS36276 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.74 CCOC(=O)C1(CC1)C TS77135 [0,1,0,1,0,0|0,0,2]=4 754 B9R1.74 CCOC(=O)C1(CC1)N TS00390 [0,1,0,1,0,0|0,0,2]=4 755 B9R1.34 CC1CC(=CC(=O)C1)C TS36008 [0,1,0,1,0,0|1,0,0]=3 756 B9R1.34 CC1CC(=CC(=O)O1)O TS36271 [0,1,0,1,0,0|0,0,0]=2 757 B9R1.34 CC1CC(=O)CC(=O)C1 TS36118 [0,1,0,1,0,0|1,0,1]=4 758 B9R1.34 CC1CC(=O)NC(=O)N1 TS36285 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.34 CC1CC(=O)OC(=O)C1 TS36277 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.34 Cc1cc(=O)cc(o1)C TS08800 [0,1,0,1,0,0|1,0,1]=4 761 B9R1.34 Cc1cc(cc(=O)o1)O TS71159 [0,1,0,1,0,0|0,0,2]=4 762 B9R1.34 Cc1cc(oc(=O)c1)C TS32596 [0,1,0,1,0,0|0,0,1]=3 763 B9R1.38 CC1(C(=O)NC(=O)O1)C TS36393 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.38 CC1=CC(=CC1(C)[Zr+3])C TS75776 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.41 CC(=O)C1CCCC1=O TS36123 [0,1,0,1,0,0|1,0,1]=4 766 B9R1.41 CC(=O)C1CCOC1=O TS08258 [0,1,0,1,0,0|0,0,1]=3 767 B9R1.41 CC(=O)N1CCCC1=O TS36228 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.41 CC(=O)N1CCNC1=O TS64988 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.41 CC(=O)N1CCOC1=O TS05431 [0,1,0,1,0,0|1,0,0]=3 770 B9R1.66 CC1(CCOC(=O)C1)O TS05520 [0,1,0,1,0,0|0,0,2]=4 771 B9R1.66 C[C@]1(CCOC(=O)C1)O TS05519 [0,1,0,1,0,0|0,0,2]=4 772 B9R1.137 CC(=O)CC(=O)C1CC1 TS36126 [0,1,0,1,0,0|1,0,1]=4 773 B9R1.137 CC(C)OC(=O)C1CC1 TS36299 [0,1,0,1,0,0|0,0,2]=4 774 B9R1.23 Cc1cc(oc1C)C=O TS32597 [0,1,0,1,0,0|0,0,1]=3 775 B9R2.39 C1C2CNC1C(=O)O2 TS04374 [0,0,0,2,0,0|1,0,1]=4