0 B6R0.4 C=CC=CC(=O)O TS03760 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 CC#CCC(C)C TS31389 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.4 CC(=CCC=C)C TS03719 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.4 CC(=CCCO)C TS03867 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.4 CC(=CCO[SiH3])C TS04642 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 CC(=O)C=COC TS03850 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.4 CC(=O)OCC=O TS31580 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.4 CC(C)C=CC=C TS31391 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.4 CC(C)C=CC=O TS31437 [0,0,0,0,0,0|0,0,0]=0 9 B6R0.4 CC(C)CCC#C TS03732 [0,0,0,0,0,0|1,0,3]=4 10 B6R0.4 CC(C)CCC=C TS03801 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.4 CC(C)CCC=O TS39767 [0,0,0,0,0,0|0,0,2]=2 12 B6R0.4 CC(C)CCCBr TS42858 [0,0,0,0,0,0|1,0,3]=4 13 B6R0.4 CC(C)CCCO TS03963 [0,0,0,0,0,0|0,0,4]=4 14 B6R0.4 CC(C)CCNC TS03922 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.4 CC(C)CN=C=S TS04543 [0,0,0,0,0,0|1,1,2]=4 16 B6R0.4 CC(C)COC=C TS31530 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.4 CC(C)COC=O TS03939 [0,0,0,0,0,0|1,0,1]=2 18 B6R0.4 CC(C)CON=O TS03992 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.4 CC(C)NCC#N TS03785 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.4 CC(C)NCCN TS03977 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.4 CC(C)NCCO TS04007 [0,0,0,0,0,0|1,0,3]=4 22 B6R0.4 CC(C)OCCN TS39675 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.4 CC(C)OCCO TS04040 [0,0,0,0,0,0|1,0,3]=4 24 B6R0.4 CC(C)SCC=C TS04640 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.4 CC(C)SCCO TS32430 [0,0,0,0,0,0|1,0,3]=4 26 B6R0.4 CC(CCC=C)Br TS11654 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.4 CC(CCC=C)O TS31524 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.4 CC=CCC(C)C TS03790 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.4 CCC#CC(C)C TS03722 [0,0,0,0,0,0|1,0,3]=4 30 B6R0.4 CCC=CC(=O)C TS31424 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.4 CCC=CC(C)C TS03789 [0,0,0,0,0,0|1,0,1]=2 32 B6R0.4 CCCCC(C)C TS03881 [0,0,0,0,0,0|1,0,3]=4 33 B6R0.4 CCCNC(C)C TS03926 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.4 CCCSC(C)C TS32368 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.4 CCOCC(C)C TS03959 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.4 CCSCC(C)C TS04752 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.4 CN(C)C=CC=O TS02738 [0,0,0,0,0,0|1,0,0]=1 38 B6R0.4 C[C@@H](CCC=C)O TS03860 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.1 C(=C[SiH3])C(Cl)Cl TS06559 [1,0,0,0,0,0|2,1,0]=4 40 B5R0.1 CC#CC(C)C TS71688 [1,0,0,0,0,0|0,0,3]=4 41 B5R0.1 CC(=CC=C)C TS03470 [1,0,0,0,0,0|0,0,1]=2 42 B5R0.1 CC(=CC=O)C TS03497 [1,0,0,0,0,0|0,0,1]=2 43 B5R0.1 CC(=CCBr)C TS00408 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 CC(=CCCl)C TS00047 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.1 CC(=CCN)C TS04881 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 CC(=CCN)C TS63606 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.1 CC(=CCN)C TS70656 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 CC(=CCO)C TS71763 [1,0,0,0,0,0|0,0,3]=4 49 B5R0.1 CC(=CCS)C TS03985 [1,0,0,0,0,0|0,1,2]=4 50 B5R0.1 CC(=C[Mg]Br)C TS42096 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CC(=C[SiH2]Cl)C TS04849 [1,0,0,0,0,0|1,1,1]=4 52 B5R0.1 CC(=O)OC=C TS03528 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CC(=O)OC=O TS71794 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(C)CC#C TS03469 [1,0,0,0,0,0|0,0,3]=4 55 B5R0.1 CC(C)CC#N TS71700 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 CC(C)CC=O TS71746 [1,0,0,0,0,0|0,0,1]=2 57 B5R0.1 CC(C)CCBr TS09985 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.1 CC(C)CCCl TS31743 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.1 CC(C)CCI TS18548 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.1 CC(C)CCN TS71773 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.1 CC(C)CCO TS71804 [1,0,0,0,0,0|0,0,3]=4 62 B5R0.1 CC(C)CCS TS31696 [1,0,0,0,0,0|0,1,2]=4 63 B5R0.1 CC(C)CC[Zn+] TS49167 [1,0,0,0,0,0|1,0,2]=4 64 B5R0.1 CC(C)CNC TS01600 [1,0,0,0,0,0|1,0,2]=4 65 B5R0.1 CC(C)CNN TS04103 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 CC(C)CON TS36090 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 CC(C)CSC TS31693 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.1 CC(C)N=C=O TS71736 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.1 CC(C)N=C=S TS03909 [1,0,0,0,0,0|1,1,1]=4 70 B5R0.1 CC(C)OC=C TS03534 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 CC(C)OC=O TS03580 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.1 CC(C)OCCl TS04160 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 CC(C)ON=O TS71823 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 CC(C)SC#N TS03914 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 CC(CC=C)O TS71743 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.1 CC(CC=O)O TS03574 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.1 CC=CC(=O)C TS03499 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 CC=CC(C)C TS71719 [1,0,0,0,0,0|0,0,1]=2 79 B5R0.1 CC=CC(C)O TS71747 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.1 CCC=C(C)C TS71718 [1,0,0,0,0,0|0,0,3]=4 81 B5R0.1 CCNC(C)C TS71777 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.1 CCOC(C)C TS03595 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.1 CCSC(C)C TS31689 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.1 CN(C)CC=C TS56352 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.1 C[C@H](CC=C)O TS03535 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.1 C[SiH](C)CC=C TS03888 [1,0,0,0,0,0|0,1,1]=3 87 B5R0.2 C#CC=CCO TS03460 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.2 C(C=CCBr)Br TS39560 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 C(C=CCCl)Cl TS00388 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 C(C=CCCl)Cl TS55820 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.2 C(C=CCCl)N TS06635 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.2 C(C=CCCl)O TS31740 [1,0,0,0,0,0|1,0,2]=4 93 B5R0.2 C(C=CCO)O TS33234 [1,0,0,0,0,0|1,0,2]=4 94 B5R0.2 C=CC=CC=C TS71670 [1,0,0,0,0,0|1,0,2]=4 95 B5R0.2 CC=CC=CC TS71681 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.2 CC=CC=CC TS71684 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.2 CC=CCCO TS71749 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.2 CCC#CC=C TS71669 [1,0,0,0,0,0|1,0,2]=4 99 B5R0.2 CCC=CC=C TS03467 [1,0,0,0,0,0|1,0,0]=2 100 B5R0.2 CCC=CC=O TS03498 [1,0,0,0,0,0|0,0,0]=1 101 B5R0.2 CCCC=NO TS03560 [1,0,0,0,0,0|1,0,2]=4 102 B5R0.2 CCCCC=C TS71713 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.2 CCCCC=O TS71764 [1,0,0,0,0,0|0,0,2]=3 104 B5R0.2 CCCC[Sn]=O TS17583 [1,0,0,0,0,0|1,0,2]=4 105 B5R0.2 CCCN=C=O TS03505 [1,0,0,0,0,0|1,0,2]=4 106 B5R0.2 CCCOC=C TS29507 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.2 CCCOC=O TS03584 [1,0,0,0,0,0|1,0,1]=3 108 B5R0.2 CCCON=O TS71824 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 CCOC=CBr TS40963 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.2 CCOC=CC TS71751 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.2 CCOCC=C TS71744 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 CCSCC=C TS03981 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.2 COC=CC#N TS71699 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.2 COC=CC=O TS71739 [1,0,0,0,0,0|1,0,0]=2 115 B7R0.2 CC(=CC(=O)OC)C TS08562 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.2 CC(=CN(C)C)C=O TS32017 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.2 CC(C)CC(=NO)C TS32168 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.2 CC(C)CC(=O)OC TS04588 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.2 CC(C)CC(=O)SC TS05775 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.2 CC(C)CC(C)C=C TS04359 [0,1,0,0,0,0|1,0,2]=4 121 B7R0.2 CC(C)NC(=NO)N TS04682 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.2 CC(C)NC(=O)C=C TS32016 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.2 CC(C)NC(=O)CCl TS06023 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.2 CC(C)NC(=S)NN TS36783 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.2 CC(C)OC(=O)C=C TS32061 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.2 CC(C)OC(=O)CCl TS37073 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.2 CC(C)OC(=O)CN TS41311 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.2 CC(C)OC(=O)CO TS32323 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.2 CC(C)OC(=O)CS TS05924 [0,1,0,0,0,0|1,1,1]=4 130 B7R0.2 CC(C)OC(=S)S[K] TS13576 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.2 CC(C)OC(=S)S[Na] TS11014 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.2 CCC(=C)CC(C)C TS04352 [0,1,0,0,0,0|1,0,2]=4 133 B7R0.2 CCC(=O)CC(C)C TS32113 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.3 CC=CCC(C)C=C TS31844 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.3 CCC(=CCC=C)C TS04221 [0,1,0,0,0,0|1,0,2]=4 136 B7R0.3 CCC(C)CC=CC TS31972 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.3 CCC(C)SCC=C TS05618 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.3 CCC(C=CC=O)O TS04431 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.3 CCC=CC(C)CC TS31968 [0,1,0,0,0,0|1,0,1]=3 140 B7R0.3 COC(=O)C=CC=C TS31908 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.3 COC(=O)C=CC=O TS04424 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.4 CC(=CCCC=C)C TS31846 [0,1,0,0,0,0|1,0,2]=4 143 B7R0.4 CC(=CCOC=O)C TS04439 [0,1,0,0,0,0|0,0,2]=3 144 B7R0.4 CC(=O)OC=CC=C TS31913 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.4 CC(C)CCCC=C TS31960 [0,1,0,0,0,0|1,0,2]=4 146 B7R0.4 CC(C)CCOC=O TS32212 [0,1,0,0,0,0|0,0,2]=3 147 B7R0.4 CC(C)CCON=O TS01922 [0,1,0,0,0,0|1,0,2]=4 148 B7R0.4 CC=CC=CC(=O)C TS31841 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.4 CC=CCCC(C)C TS31977 [0,1,0,0,0,0|1,0,1]=3 150 B7R0.4 CCC=CCC(C)C TS04361 [0,1,0,0,0,0|1,0,1]=3 151 B7R0.4 CCCC=CC(C)C TS04365 [0,1,0,0,0,0|1,0,1]=3 152 B7R0.4 CCOC=C[SiH](C)C TS05619 [0,1,0,0,0,0|1,1,1]=4 153 B7R0.4 CN(C)CCCC=O TS32154 [0,1,0,0,0,0|1,0,2]=4 154 B7R0.5 CC(C)C(=O)CC#N TS60063 [0,1,0,0,0,0|1,0,2]=4 155 B7R0.5 CC(C)C(C)CC=C TS04343 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.5 CC(C)C(CC=C)O TS32108 [0,1,0,0,0,0|1,0,2]=4 157 B7R0.5 CC=CC(C(C)C)O TS04483 [0,1,0,0,0,0|1,0,1]=3 158 B7R0.5 CCC=C(C)C(C)C TS31953 [0,1,0,0,0,0|1,0,1]=3 159 B7R0.5 CCC=C(C)C(C)O TS04482 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.5 CCCC(=C)C(C)C TS04341 [0,1,0,0,0,0|1,0,2]=4 161 B7R0.5 CCCC(=O)C(C)C TS32114 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.5 CCOC(=O)C(C)C TS32217 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.6 C(=CC(=O)Cl)C(=O)Cl TS10262 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.6 C(=CC(=O)N)C(=O)N TS32051 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.6 C(=CC(=O)N)C(=O)N TS32053 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.6 C(=CC(=O)O)C(=O)N TS32144 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.6 C(=CC(=O)O)C(=O)O TS32176 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.6 C(=CC(=O)[O-])C(=O)O TS37153 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS10402 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS37241 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS42103 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS46372 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS47787 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS51492 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS94691 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.6 CC(=CC=C(C)C)C TS47272 [0,1,0,0,0,0|1,0,1]=3 177 B7R0.6 CC(=CC=C(Cl)Cl)C TS09984 [0,1,0,0,0,0|1,0,1]=3 178 B7R0.6 CC(=CCC(=O)O)C TS04452 [0,1,0,0,0,0|0,0,2]=3 179 B7R0.6 CC(=NNC(=O)C)C TS32085 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.6 CC(=NNC(=O)N)C TS04537 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.6 CC(=O)C=CC(=O)O TS32041 [0,1,0,0,0,0|1,0,1]=3 182 B7R0.6 CC(C)C=CC(=O)C TS01150 [0,1,0,0,0,0|0,0,0]=1 183 B7R0.6 CC(C)C=CC(=O)O TS04440 [0,1,0,0,0,0|0,0,0]=1 184 B7R0.6 CC(C)C=CC(C)C TS31957 [0,1,0,0,0,0|1,0,1]=3 185 B7R0.6 CC(C)CCC(=C)C TS31967 [0,1,0,0,0,0|1,0,2]=4 186 B7R0.6 CC(C)CCC(=O)C TS32095 [0,1,0,0,0,0|0,0,2]=3 187 B7R0.6 CC(C)CCC(=O)Cl TS05954 [0,1,0,0,0,0|0,0,2]=3 188 B7R0.6 CC(C)CCC(=O)O TS32208 [0,1,0,0,0,0|0,0,2]=3 189 B7R0.6 CC(C)CNC(=O)N TS04600 [0,1,0,0,0,0|1,0,1]=3 190 B7R0.6 CC(C)CNC(=S)N TS05782 [0,1,0,0,0,0|1,1,1]=4 191 B7R0.6 CC(C)COC(=O)C TS04598 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.6 CC(C)COC(=O)Cl TS74510 [0,1,0,0,0,0|1,0,1]=3 193 B7R0.6 CC(C)COC(=O)N TS32285 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.6 CC(C)CO[N+](=O)[O-] TS32375 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.6 CC(C)OCC(=O)O TS04716 [0,1,0,0,0,0|1,0,1]=3 196 B7R0.6 CC(C=CC(C)O)O TS04595 [0,1,0,0,0,0|1,0,2]=4 197 B7R0.6 CC(CCC(=O)Cl)Cl TS10541 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.6 CC(COC(=O)C)O TS32324 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.6 CN(C)C=C[N+](=O)[O-] TS32192 [0,1,0,0,0,0|2,0,0]=3 200 B7R0.6 CN(C)C=NC(=S)N TS36612 [0,1,0,0,0,0|2,1,0]=4 201 B7R0.6 C[S+](C)CCC(=O)O TS12940 [0,1,0,0,0,0|1,0,2]=4 202 B7R0.6 C[S+](C)CCC(=O)O TS21843 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.6 C[S+](C)CCC(=O)[O-] TS39378 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.8 CC(C)(C)C=CC=C TS39979 [0,1,0,0,0,0|1,0,0]=2 205 B7R0.8 CC(C)(CCC=C)O TS32097 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.8 CC=CCC(C)(C)C TS04360 [0,1,0,0,0,0|1,0,1]=3 207 B7R0.8 CCC=CC(C)(C)C TS04367 [0,1,0,0,0,0|1,0,1]=3 208 B7R0.8 CCC=CC(C)(C)C TS04368 [0,1,0,0,0,0|1,0,1]=3 209 B7R0.8 C[Si](C)(C)C#CC=O TS36174 [0,1,0,0,0,0|0,1,2]=4 210 B7R0.8 C[Si](C)(C)C=CCO TS05620 [0,1,0,0,0,0|0,1,2]=4 211 B7R0.8 C[Si](C)(C)C=CCO TS05622 [0,1,0,0,0,0|0,1,2]=4 212 B7R1.2 C1=CC(=O)NC1=O TS56220 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.2 C1=CC(=O)OC1=O TS03751 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.2 C1C(CNC1=O)N TS87465 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.2 C1C(COC1=O)O TS31581 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.2 C1[C@@H](COC1=O)N TS37130 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.2 C1[C@@H](COC1=O)O TS33101 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [0,0,0,1,0,0|1,0,0]=2 221 B7R1.2 C1[C@H](C=C[C@H]1O)O TS31496 [0,0,0,1,0,0|1,0,2]=4 222 B7R1.2 C1[C@H](CNC1=O)O TS01973 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.2 C1[C@H](CNC1=O)S TS04686 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.2 C1[C@H](COC1=O)O TS46585 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,0,0,1,0,0|1,0,2]=4 226 B7R1.2 CC1=NNC(=O)C1 TS93059 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.2 CC1=NOC(=O)C1 TS15601 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.2 CC1COC(=O)O1 TS08062 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.2 CC1COC(=O)O1 TS93060 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,0,0,1,0,0|1,0,2]=4 231 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [0,0,0,1,0,0|2,0,1]=4 232 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.2 Cc1ccc([nH]1)C TS59928 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.2 Cc1ccc(o1)C TS31370 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.2 Cc1ccc(s1)Br TS55129 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.2 Cc1ccc(s1)C TS04332 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.2 Cc1ccc(s1)Cl TS00916 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.2 Cc1ccc(s1)I TS23773 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.2 Cc1ccn(n1)C TS39993 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.2 Cn1ccc(n1)Br TS16852 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.2 Cn1ccc(n1)I TS89582 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.2 Cn1ccc(n1)N TS00475 [0,0,0,1,0,0|3,0,0]=4 245 B7R1.2 Cn1ccc(n1)N TS72253 [0,0,0,1,0,0|3,0,0]=4 246 B7R1.3 C1CC(CC=C1)Br TS11358 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.3 C1CC(CC=C1)Cl TS04655 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.3 C1CC(CC=C1)O TS31422 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.3 C1CC=CC(C1)Br TS11359 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.3 C1CC=CC(C1)Cl TS04653 [0,0,0,1,0,0|2,0,1]=4 251 B7R1.3 C1CC=CC(C1)O TS59964 [0,0,0,1,0,0|2,0,1]=4 252 B7R1.3 CC1CC=CC=C1 TS03676 [0,0,0,1,0,0|1,0,0]=2 253 B7R1.3 C[n+]1ccccc1 TS05508 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.3 C[n+]1ccccc1 TS45717 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.3 Cc1ccccc1 TS71861 [0,0,0,1,0,0|1,0,2]=4 256 B7R1.3 Cc1ccccn1 TS71881 [0,0,0,1,0,0|2,0,1]=4 257 B7R1.3 Cc1ccccn1 TS93768 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.3 Cc1cccnc1 TS39719 [0,0,0,1,0,0|1,0,2]=4 259 B7R1.3 Cc1cccnn1 TS70675 [0,0,0,1,0,0|2,0,1]=4 260 B7R1.14 CC1(COC=N1)C TS03824 [0,0,0,1,0,0|2,0,1]=4 261 B4R0.1 C(=O)C(Cl)Cl TS36583 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.1 CC(=C)C=C TS00101 [2,0,0,0,0,0|0,0,2]=4 263 B4R0.1 CC(=C)C=O TS71445 [2,0,0,0,0,0|0,0,2]=4 264 B4R0.1 CC(=C=O)C TS16967 [2,0,0,0,0,0|0,0,2]=4 265 B4R0.1 CC(=CBr)C TS36907 [2,0,0,0,0,0|1,0,1]=4 266 B4R0.1 CC(=O)C=C TS71414 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.1 CC(=O)C=O TS71593 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.1 CC(C)C#C TS71006 [2,0,0,0,0,0|0,0,2]=4 269 B4R0.1 CC(C)C#N TS03177 [2,0,0,0,0,0|1,0,1]=4 270 B4R0.1 CC(C)C=O TS00105 [2,0,0,0,0,0|0,0,0]=2 271 B4R0.1 CC(C)CBr TS59896 [2,0,0,0,0,0|1,0,1]=4 272 B4R0.1 CC(C)CCl TS00045 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.1 CC(C)CI TS48514 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.1 CC(C)CN TS01504 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.1 CC(C)CN TS04173 [2,0,0,0,0,0|1,0,1]=4 276 B4R0.1 CC(C)CO TS03402 [2,0,0,0,0,0|0,0,2]=4 277 B4R0.1 CC(C)CS TS02444 [2,0,0,0,0,0|0,1,1]=4 278 B4R0.1 CC(C)C[Al+2] TS10535 [2,0,0,0,0,0|1,0,1]=4 279 B4R0.1 CC(C)C[Zn+] TS19475 [2,0,0,0,0,0|1,0,1]=4 280 B4R0.1 CC(C)NC TS56405 [2,0,0,0,0,0|1,0,1]=4 281 B4R0.1 CC(C)NN TS01925 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 CC(C)NO TS04257 [2,0,0,0,0,0|1,0,1]=4 283 B4R0.1 CC(C)NO TS71633 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.1 CC(C)ON TS93804 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.1 CC(C)SC TS71855 [2,0,0,0,0,0|1,0,1]=4 286 B4R0.1 CC(C)[Mg]Br TS07379 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.1 CC(C)[Mg]Cl TS31622 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.1 CC(C)[N+]#[C-] TS03159 [2,0,0,0,0,0|1,0,1]=4 289 B4R0.1 CC(C=C)Br TS36909 [2,0,0,0,0,0|1,0,0]=3 290 B4R0.1 CC(C=C)Cl TS03635 [2,0,0,0,0,0|1,0,0]=3 291 B4R0.1 CC(C=C)O TS71610 [2,0,0,0,0,0|1,0,0]=3 292 B4R0.1 CC=C(C)C TS03364 [2,0,0,0,0,0|0,0,2]=4 293 B4R0.1 CN(C)C=O TS01574 [2,0,0,0,0,0|1,0,0]=3 294 B4R0.1 CN(C)C=O TS03397 [2,0,0,0,0,0|1,0,0]=3 295 B4R0.1 CN(C)C=O TS31811 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.1 CN(C)C=O TS41262 [2,0,0,0,0,0|1,0,0]=3 297 B4R0.1 CN(C)N=O TS03395 [2,0,0,0,0,0|2,0,0]=4 298 B4R0.1 C[N+](=CBr)C TS22154 [2,0,0,0,0,0|2,0,0]=4 299 B4R0.1 C[N+](=CCl)C TS05301 [2,0,0,0,0,0|2,0,0]=4 300 B4R0.2 C(C=CBr)Br TS37833 [2,0,0,0,0,0|2,0,0]=4 301 B4R0.2 C(C=CCl)Cl TS04226 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.2 C(C=CCl)Cl TS04227 [2,0,0,0,0,0|2,0,0]=4 303 B4R0.2 C(C=CCl)Cl TS92961 [2,0,0,0,0,0|2,0,0]=4 304 B4R0.2 C(C=O)C=O TS71592 [2,0,0,0,0,0|1,0,1]=4 305 B4R0.2 C(CCl)C=O TS71867 [2,0,0,0,0,0|1,0,1]=4 306 B4R0.2 C=CCCBr TS03033 [2,0,0,0,0,0|1,0,1]=4 307 B4R0.2 C=CCCCl TS03638 [2,0,0,0,0,0|1,0,1]=4 308 B4R0.2 C=CCCN TS01596 [2,0,0,0,0,0|1,0,1]=4 309 B4R0.2 C=CCCN TS04120 [2,0,0,0,0,0|1,0,1]=4 310 B4R0.2 C=CCCO TS71598 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.2 C=CNC=O TS03372 [2,0,0,0,0,0|1,0,1]=4 312 B4R0.2 C=COC=O TS71590 [2,0,0,0,0,0|1,0,1]=4 313 B4R0.2 CC=CC#C TS66004 [2,0,0,0,0,0|1,0,1]=4 314 B4R0.2 CC=CC=C TS06116 [2,0,0,0,0,0|0,0,1]=3 315 B4R0.2 CC=CC=C TS71007 [2,0,0,0,0,0|0,0,1]=3 316 B4R0.2 CC=CC=O TS16977 [2,0,0,0,0,0|0,0,0]=2 317 B4R0.2 CC=CCCl TS03634 [2,0,0,0,0,0|1,0,1]=4 318 B4R0.2 CC=CCN TS01395 [2,0,0,0,0,0|1,0,1]=4 319 B4R0.2 CC=CCO TS71604 [2,0,0,0,0,0|0,0,2]=4 320 B4R0.2 CC=COC TS71611 [2,0,0,0,0,0|1,0,1]=4 321 B4R0.2 CC=C[Mg]Br TS40351 [2,0,0,0,0,0|2,0,0]=4 322 B4R0.2 CCC=C=C TS70908 [2,0,0,0,0,0|0,0,1]=3 323 B4R0.2 CCC=CBr TS33033 [2,0,0,0,0,0|1,0,0]=3 324 B4R0.2 CCC=CC TS03361 [2,0,0,0,0,0|0,0,1]=3 325 B4R0.2 CCC=CCl TS03636 [2,0,0,0,0,0|1,0,0]=3 326 B4R0.2 CCC=CCl TS03637 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.2 CCC=NS TS31707 [2,0,0,0,0,0|1,1,0]=4 328 B4R0.2 CCCC=O TS71609 [2,0,0,0,0,0|0,0,1]=3 329 B4R0.2 CCN=C=O TS01458 [2,0,0,0,0,0|1,0,1]=4 330 B4R0.2 CCNC=O TS03379 [2,0,0,0,0,0|1,0,0]=3 331 B4R0.2 CCOC=C TS71601 [2,0,0,0,0,0|1,0,0]=3 332 B4R0.2 CCOC=O TS03393 [2,0,0,0,0,0|1,0,0]=3 333 B4R0.2 CCON=O TS71627 [2,0,0,0,0,0|2,0,0]=4 334 B4R0.2 CCSC=C TS71813 [2,0,0,0,0,0|1,0,0]=3 335 B4R0.2 COCC=C TS94286 [2,0,0,0,0,0|1,0,1]=4 336 B4R0.2 COCC=O TS03388 [2,0,0,0,0,0|1,0,1]=4 337 B4R0.2 CSCC=C TS71811 [2,0,0,0,0,0|1,0,1]=4 338 B6R0.1 CC(CC=C)C=C TS31383 [1,1,0,0,0,0|0,0,2]=4 339 B6R0.1 CC(CC=O)SC TS32354 [1,1,0,0,0,0|0,0,1]=3 340 B6R0.1 CC=C(C)CC=C TS03736 [1,1,0,0,0,0|0,0,2]=4 341 B6R0.1 CC=CC(=CC)C TS31385 [1,1,0,0,0,0|0,0,2]=4 342 B6R0.1 CCC(C)C=CC TS03791 [1,1,0,0,0,0|0,0,1]=3 343 B6R0.1 CCC(C)CC=C TS03804 [1,1,0,0,0,0|0,0,1]=3 344 B6R0.1 CCC(C)CC=O TS31513 [1,1,0,0,0,0|0,0,1]=3 345 B6R0.1 CCC(C)ON=O TS31635 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.1 CCC(C=CC)O TS03868 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.1 CCC(CC=C)O TS31532 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.2 CC(=CC(=C)C)C TS03733 [1,1,0,0,0,0|0,0,1]=3 349 B6R0.2 CC(=CC(=O)C)C TS31432 [1,1,0,0,0,0|0,0,1]=3 350 B6R0.2 CC(=CC(=O)C)N TS03815 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.2 CC(=CC(=O)C)[O-] TS06421 [1,1,0,0,0,0|1,0,1]=4 352 B6R0.2 CC(=CC(=O)C)[O-] TS31723 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.2 CC(=CC(=O)Cl)C TS04766 [1,1,0,0,0,0|0,0,1]=3 354 B6R0.2 CC(=CC(=O)O)C TS03839 [1,1,0,0,0,0|0,0,1]=3 355 B6R0.2 CC(=O)CN(C)C TS31555 [1,1,0,0,0,0|1,0,1]=4 356 B6R0.2 CC(C)CC(=C)C TS31451 [1,1,0,0,0,0|0,0,1]=3 357 B6R0.2 CC(C)CC(=O)C TS31526 [1,1,0,0,0,0|0,0,1]=3 358 B6R0.2 CC(C)CC(=O)Cl TS32446 [1,1,0,0,0,0|0,0,1]=3 359 B6R0.2 CC(C)CC(=O)N TS31557 [1,1,0,0,0,0|0,0,1]=3 360 B6R0.2 CC(C)CC(=O)O TS03936 [1,1,0,0,0,0|0,0,1]=3 361 B6R0.2 CC(C)CC(=O)[O-] TS32589 [1,1,0,0,0,0|0,0,1]=3 362 B6R0.2 CC(C)NC(=O)N TS31602 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.2 CC(C)OC(=O)C TS01509 [1,1,0,0,0,0|1,0,0]=3 364 B6R0.2 CC(C)OC(=O)Cl TS59649 [1,1,0,0,0,0|1,0,0]=3 365 B6R0.2 CC(C)OC(=O)N TS03993 [1,1,0,0,0,0|1,0,0]=3 366 B6R0.2 CC(C)O[N+](=O)[O-] TS04064 [1,1,0,0,0,0|2,0,0]=4 367 B6R0.2 CC(C=C(C)C)O TS03862 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.2 CC(CC(=C)C)O TS31505 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.2 CC(CC(=O)O)Cl TS04943 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.2 CC(CC(=O)O)O TS31666 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.2 CC(CC(=O)[O-])O TS94900 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.2 CC(OC(=O)Cl)Cl TS46935 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.2 CN(C)CC(=O)O TS08905 [1,1,0,0,0,0|1,0,1]=4 374 B6R0.2 CN(C)CC(=O)O TS37315 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.2 CN(C)CC(=O)[O-] TS36048 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.2 CN(C)CC(=O)[O-] TS37510 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [1,1,0,0,0,0|1,0,1]=4 379 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.2 C[C@@H](CC(=O)[O-])O TS05129 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.2 C[C@H](CC(=O)O)N TS00214 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.2 C[C@H](CC(=O)[O-])O TS05130 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.3 CC(C)C(=N)OC TS37144 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.3 CC(C)C(=NO)N TS31597 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.3 CC(C)C(=O)CBr TS00029 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.3 CC(C)C(=O)NN TS31595 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.3 CC(C)C(=O)NN TS66305 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.3 CC(C)C(=O)NO TS03991 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.3 CC(C)C(=O)OC TS03944 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [1,1,0,0,0,0|1,1,0]=4 391 B6R0.3 CC(C)C(C)C=C TS03806 [1,1,0,0,0,0|0,0,1]=3 392 B6R0.3 CC(C)C(C=C)O TS31528 [1,1,0,0,0,0|0,0,1]=3 393 B6R0.3 CC=C(C)C(C)C TS03807 [1,1,0,0,0,0|0,0,1]=3 394 B6R0.3 CC=C(C)C(C)C TS31450 [1,1,0,0,0,0|0,0,1]=3 395 B6R0.3 CCC(=C)C(C)C TS03792 [1,1,0,0,0,0|0,0,2]=4 396 B6R0.3 CCC(=O)C(C)C TS31520 [1,1,0,0,0,0|0,0,2]=4 397 B6R0.3 CN(C)C(=O)C=C TS03821 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.5 CC(C)(C)CC=O TS65730 [1,1,0,0,0,0|0,0,1]=3 399 B6R0.5 CC(C)(C)N=C=O TS01706 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.5 CC(C)(C)NC=O TS03906 [1,1,0,0,0,0|1,0,0]=3 401 B6R0.5 CC(C)(C)OC=C TS31510 [1,1,0,0,0,0|1,0,0]=3 402 B6R0.5 CC(C)(C)OC=O TS03940 [1,1,0,0,0,0|1,0,0]=3 403 B6R0.5 CC(C)(C)ON=O TS00092 [1,1,0,0,0,0|2,0,0]=4 404 B6R0.5 CC(C)(CC=C)O TS31516 [1,1,0,0,0,0|0,0,1]=3 405 B6R0.5 CC=NC(C)(C)C TS03832 [1,1,0,0,0,0|1,0,1]=4 406 B6R0.5 C[Ge](C)(C)CC=C TS42007 [1,1,0,0,0,0|0,1,1]=4 407 B6R0.5 C[N+](C)(C)CC=C TS06028 [1,1,0,0,0,0|1,0,1]=4 408 B6R0.5 C[N+](C)(C)CC=C TS14509 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.5 C[N+](C)(C)CC=O TS31608 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.5 C[Si](C)(C)C=CBr TS14360 [1,1,0,0,0,0|1,1,0]=4 411 B6R0.5 C[Si](C)(C)CC=C TS32124 [1,1,0,0,0,0|0,1,1]=4 412 B6R0.5 C[Si](C)(C)OC=C TS94790 [1,1,0,0,0,0|1,1,0]=4 413 B6R0.5 C[Si](C)(CC=C)Cl TS36894 [1,1,0,0,0,0|0,1,1]=4 414 B6R0.5 C[Sn](C)(C)CC=C TS38731 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.6 C(=CC=O)C=CBr TS11348 [1,1,0,0,0,0|0,0,2]=4 416 B6R0.6 C(CCCl)CC=O TS32450 [1,1,0,0,0,0|0,0,2]=4 417 B6R0.6 C(CCO)CC=O TS03340 [1,1,0,0,0,0|0,0,2]=4 418 B6R0.6 C(COCC=O)O TS31664 [1,1,0,0,0,0|1,0,1]=4 419 B6R0.6 CC=CC=CC#N TS71880 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.6 CC=CC=CC=O TS31368 [1,1,0,0,0,0|0,0,1]=3 421 B6R0.6 CC=CC=CCO TS31427 [1,1,0,0,0,0|0,0,2]=4 422 B6R0.6 CC=CCCCO TS31509 [1,1,0,0,0,0|1,0,1]=4 423 B6R0.6 CC=CCCCO TS31521 [1,1,0,0,0,0|1,0,1]=4 424 B6R0.6 CCC=CCC=O TS31443 [1,1,0,0,0,0|0,0,0]=2 425 B6R0.6 CCC=CCCO TS31511 [1,1,0,0,0,0|0,0,2]=4 426 B6R0.6 CCC=CCCO TS31515 [1,1,0,0,0,0|0,0,2]=4 427 B6R0.6 CCCC=CC=O TS31421 [1,1,0,0,0,0|0,0,0]=2 428 B6R0.6 CCCC=CC=O TS31438 [1,1,0,0,0,0|0,0,0]=2 429 B6R0.6 CCCC=CC=O TS31444 [1,1,0,0,0,0|0,0,0]=2 430 B6R0.6 CCCC=CCO TS03865 [1,1,0,0,0,0|0,0,2]=4 431 B6R0.6 CCCCC=CBr TS11653 [1,1,0,0,0,0|1,0,1]=4 432 B6R0.6 CCCCC=CC TS03803 [1,1,0,0,0,0|1,0,1]=4 433 B6R0.6 CCCCCC=O TS39877 [1,1,0,0,0,0|0,0,2]=4 434 B6R0.6 CCCCNC=O TS03902 [1,1,0,0,0,0|0,0,2]=4 435 B6R0.6 CCCCOC=O TS03954 [1,1,0,0,0,0|0,0,2]=4 436 B6R0.6 CCCSC=CC TS04637 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.6 CCOC=CC#N TS03748 [1,1,0,0,0,0|1,0,1]=4 438 B8R0.16 CN(C)C=C(C=O)OC TS36415 [0,2,0,0,0,0|1,0,0]=3 439 B8R0.19 CCC(C)C=C(C)CC TS36183 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.23 CC(=O)CC(=O)N(C)C TS36402 [0,2,0,0,0,0|1,0,1]=4 441 B8R0.23 CC(C)C(CC(=O)O)N TS36592 [0,2,0,0,0,0|0,0,2]=4 442 B8R0.23 CC(C)C(OC(=O)Cl)Cl TS12955 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.23 CC(C)C=C(C)C(=O)O TS36308 [0,2,0,0,0,0|0,0,0]=2 444 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [0,2,0,0,0,0|0,0,1]=3 445 B8R0.23 CC(C)CC(=O)C(=O)O TS05517 [0,2,0,0,0,0|0,0,1]=3 446 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS41088 [0,2,0,0,0,0|0,0,1]=3 447 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS56034 [0,2,0,0,0,0|0,0,1]=3 448 B8R0.23 CC(C)CC(C(=O)N)N TS43163 [0,2,0,0,0,0|0,0,2]=4 449 B8R0.23 CC(C)CC(C(=O)O)Br TS51948 [0,2,0,0,0,0|0,0,2]=4 450 B8R0.23 CC(C)CC(C(=O)O)N TS36599 [0,2,0,0,0,0|0,0,2]=4 451 B8R0.23 CC(C)CC(C(=O)O)N TS36676 [0,2,0,0,0,0|0,0,2]=4 452 B8R0.23 CC(C)CC(C(=O)O)O TS05722 [0,2,0,0,0,0|0,0,2]=4 453 B8R0.23 CC(C)CC(C)C(=O)O TS36502 [0,2,0,0,0,0|0,0,2]=4 454 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS36522 [0,2,0,0,0,0|0,0,2]=4 455 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS43161 [0,2,0,0,0,0|0,0,2]=4 456 B8R0.23 CC(C)C[C@@H](C(=O)O)Br TS17994 [0,2,0,0,0,0|0,0,2]=4 457 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl TS09969 [0,2,0,0,0,0|0,0,2]=4 458 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS01527 [0,2,0,0,0,0|0,0,2]=4 459 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS18946 [0,2,0,0,0,0|0,0,2]=4 460 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS36675 [0,2,0,0,0,0|0,0,2]=4 461 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS93953 [0,2,0,0,0,0|0,0,2]=4 462 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS05731 [0,2,0,0,0,0|0,0,2]=4 463 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS94480 [0,2,0,0,0,0|0,0,2]=4 464 B8R0.23 CC(C)C[C@H](C(=O)N)N TS43166 [0,2,0,0,0,0|0,0,2]=4 465 B8R0.23 CC(C)C[C@H](C(=O)O)N TS59534 [0,2,0,0,0,0|0,0,2]=4 466 B8R0.23 CC(C)NC(=O)C(=C)C TS05277 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.23 CC(C)OC(=O)C(=C)C TS05342 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.23 CC(C)[C@@H](CC(=O)O)N TS36595 [0,2,0,0,0,0|0,0,2]=4 469 B8R0.23 CC(C)[C@H](CC(=O)O)N TS36600 [0,2,0,0,0,0|0,0,2]=4 470 B8R0.24 CC(C)(C)OC(=O)C=C TS36310 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.24 CCC(=CC(C)(C)C)C TS05221 [0,2,0,0,0,0|1,0,1]=4 472 B8R0.1 CCCC(C)COC=O TS36501 [0,2,0,0,0,0|1,0,1]=4 473 B8R0.1 CCOC(=O)C=CC=O TS36273 [0,2,0,0,0,0|1,0,1]=4 474 B8R0.3 CCC(C)C(=O)C=CC TS05192 [0,2,0,0,0,0|1,0,0]=3 475 B8R0.8 CC(C)C(=O)OCC=C TS36305 [0,2,0,0,0,0|1,0,1]=4 476 B8R0.9 CC(=O)C=CC(=O)OC TS36270 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.9 CC(C)C=CC(=O)OC TS36289 [0,2,0,0,0,0|0,0,0]=2 478 B8R0.9 CC(C)CCC(=O)OC TS36500 [0,2,0,0,0,0|0,0,2]=4 479 B8R0.9 CC(C)COC(=O)C=C TS05334 [0,2,0,0,0,0|1,0,1]=4 480 B8R0.9 CCC(=O)CCC(C)C TS05386 [0,2,0,0,0,0|0,0,2]=4 481 B8R0.9 CCC(=O)OCC(C)C TS05543 [0,2,0,0,0,0|1,0,1]=4 482 B8R0.9 CCC(C)CCC(=O)C TS05381 [0,2,0,0,0,0|0,0,2]=4 483 B8R0.9 CCC(C)CCC(=O)O TS36505 [0,2,0,0,0,0|0,0,2]=4 484 B8R0.9 CCC(C)COC(=O)C TS01135 [0,2,0,0,0,0|1,0,1]=4 485 B8R0.9 CN(C)C=CC(=O)OC TS36401 [0,2,0,0,0,0|1,0,0]=3 486 B8R0.9 CNC(=O)C=CC(=O)O TS05434 [0,2,0,0,0,0|1,0,1]=4 487 B8R0.9 COC(=O)C=CC(=O)[O-] TS36456 [0,2,0,0,0,0|1,0,1]=4 488 B8R0.11 COC(C=CC=O)OC TS05515 [0,2,0,0,0,0|0,0,0]=2 489 B8R0.11 COC=CC(OC)OC TS05721 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.21 CCCC=CC(C)(C)C TS05223 [0,2,0,0,0,0|1,0,1]=4 491 B8R0.21 C[Si](C)(C)OC=CC=C TS06780 [0,2,0,0,0,0|1,1,0]=4 492 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [0,2,0,0,0,0|0,0,1]=3 493 B8R0.28 CC(=CCCC(=O)C)C TS36151 [0,2,0,0,0,0|0,0,2]=4 494 B8R0.28 CC(=CCOC(=O)C)C TS05349 [0,2,0,0,0,0|0,0,2]=4 495 B8R0.28 CC(=O)CC=CC(=O)O TS36269 [0,2,0,0,0,0|1,0,1]=4 496 B8R0.28 CC(C)CC=CC(=O)C TS05196 [0,2,0,0,0,0|0,0,0]=2 497 B8R0.28 CC(C)CCCC(=O)O TS36507 [0,2,0,0,0,0|0,0,2]=4 498 B8R0.28 CC(C)CCNC(=O)C TS36434 [0,2,0,0,0,0|0,0,2]=4 499 B8R0.28 CC(C)CCOC(=O)C TS05553 [0,2,0,0,0,0|0,0,2]=4 500 B8R0.28 CC(C)OCCC(=O)C TS05569 [0,2,0,0,0,0|0,0,2]=4 501 B8R0.28 CN(C)CC=CC(=O)O TS01732 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.14 CC(C)(C)C(=CC#N)Cl TS40128 [0,2,0,0,0,0|1,0,1]=4 503 B8R0.14 CC(C)(C)C(=O)CC=O TS36293 [0,2,0,0,0,0|0,0,1]=3 504 B8R0.14 CC(C)(C)C(=O)OC=C TS05340 [0,2,0,0,0,0|2,0,0]=4 505 B8R0.29 B(C=CC(C)(C)C)(O)O TS05300 [0,2,0,0,0,0|1,0,1]=4 506 B8R0.29 C(=CC(F)(F)F)C(=O)N TS06342 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.29 C(=CC(F)(F)F)C(=O)O TS09548 [0,2,0,0,0,0|2,0,0]=4 508 B8R0.29 CC(=O)OOC(C)(C)C TS05713 [0,2,0,0,0,0|2,0,0]=4 509 B8R0.29 CC(C)(C)CCC(=O)O TS36497 [0,2,0,0,0,0|0,0,2]=4 510 B8R0.29 CC(C)(C)NCC(=O)O TS65250 [0,2,0,0,0,0|1,0,1]=4 511 B8R0.29 CC(C)(C)NCC(=O)[O-] TS65251 [0,2,0,0,0,0|1,0,1]=4 512 B8R0.29 CC(C)(C)OCC(=O)O TS36657 [0,2,0,0,0,0|1,0,1]=4 513 B8R0.29 CC(C)(CNC(=O)N)N TS05676 [0,2,0,0,0,0|1,0,1]=4 514 B6R1.2 C1=CC(C=C1)[Hf+3] TS64701 [1,0,0,1,0,0|1,0,1]=4 515 B6R1.2 C1=CC(C=C1)[Nb+4] TS74559 [1,0,0,1,0,0|1,0,1]=4 516 B6R1.2 C1=CC(C=C1)[Ti+3] TS22641 [1,0,0,1,0,0|1,0,1]=4 517 B6R1.2 C1=CC(C=C1)[Zr+3] TS29852 [1,0,0,1,0,0|1,0,1]=4 518 B6R1.2 C1C=CCC1N TS04803 [1,0,0,1,0,0|1,0,1]=4 519 B6R1.2 C1C=CCC1O TS71171 [1,0,0,1,0,0|1,0,1]=4 520 B6R1.2 C1CC(C=C1)Cl TS31621 [1,0,0,1,0,0|1,0,1]=4 521 B6R1.2 Cc1ccco1 TS03463 [1,0,0,1,0,0|1,0,1]=4 522 B6R1.2 Cc1cccs1 TS65607 [1,0,0,1,0,0|1,0,1]=4 523 B6R1.2 Cn1cccc1 TS03445 [1,0,0,1,0,0|1,0,1]=4 524 B6R1.2 Cn1cccn1 TS47002 [1,0,0,1,0,0|2,0,0]=4 525 B6R1.5 C1C(CC1=O)Br TS90589 [1,0,0,1,0,0|1,0,1]=4 526 B6R1.5 C1C(CC1=O)F TS92277 [1,0,0,1,0,0|1,0,1]=4 527 B6R1.5 C1C(CC1=O)N TS88191 [1,0,0,1,0,0|1,0,1]=4 528 B6R1.5 CC1CC(=O)N1 TS71735 [1,0,0,1,0,0|1,0,0]=3 529 B6R1.1 C1CC=CC=C1 TS49690 [1,0,0,1,0,0|1,0,0]=3 530 B6R1.1 C1CC=COC1 TS02542 [1,0,0,1,0,0|0,0,2]=4 531 B6R1.1 C1CCC=CC1 TS34559 [1,0,0,1,0,0|1,0,1]=4 532 B6R1.1 C1CNCC=C1 TS86919 [1,0,0,1,0,0|1,0,1]=4 533 B6R1.1 C1COC=CO1 TS03531 [1,0,0,1,0,0|1,0,1]=4 534 B6R1.6 C1CC(C1)C=O TS03489 [1,0,0,1,0,0|0,0,2]=4 535 B8R1.1 C1=CC(=O)O[C@@H]1CO TS32034 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.1 C1=CC(=O)O[C@H]1CO TS32043 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.1 C1C(CNC1=O)CN TS85675 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.1 C1C(CNC1=O)CO TS89668 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.1 C1[C@@H](C=C[C@@H]1N)CO TS32012 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.1 C1[C@@H](CNC1=O)CN TS92937 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.1 C1[C@H](CNC1=O)CN TS92288 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.1 CCC1CCC(=O)C1 TS31941 [0,1,0,1,0,0|0,0,2]=4 543 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.1 Cc1cc(no1)C=O TS08758 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.1 Cc1cc(sc1)C=O TS36137 [0,1,0,1,0,0|0,0,2]=4 547 B8R1.1 Cc1ccc(o1)C=O TS29447 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.1 Cc1ccc(s1)C=O TS01147 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.1 Cc1coc(n1)C=O TS90033 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.1 Cc1csc(n1)C=O TS86523 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.1 Cc1nc(cs1)C=O TS55442 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.1 Cc1ncc(o1)C=O TS02441 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.1 Cn1cc(cn1)C=O TS00477 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.1 Cn1cc(nc1)C=O TS31819 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.1 Cn1ccc(n1)C=O TS00048 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.4 CC1=CCC=C(C1)C TS04144 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.4 CC1CC(=O)CCN1 TS59976 [0,1,0,1,0,0|0,0,2]=4 558 B8R1.4 CC1CC(=O)CCO1 TS87534 [0,1,0,1,0,0|0,0,2]=4 559 B8R1.4 CC1CCCC(=C1)C TS48310 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.4 CC1CCOC(=O)C1 TS32063 [0,1,0,1,0,0|0,0,2]=4 561 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [0,1,0,1,0,0|0,0,2]=4 562 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [0,1,0,1,0,0|0,0,2]=4 563 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [0,1,0,1,0,0|0,0,2]=4 564 B8R1.4 Cc1cc[nH]c(=O)n1 TS87771 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.4 Cc1cccn(=O)c1 TS02882 [0,1,0,1,0,0|0,0,2]=4 566 B8R1.18 CC1=CC(=O)OC1O TS32042 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.18 CC1C(=O)NC(=O)N1 TS32050 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.18 CC1CC(=C)C(=O)O1 TS31903 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.18 CC1CC(=O)CC1C TS31939 [0,1,0,1,0,0|0,0,2]=4 571 B8R1.18 CC1CC(=O)N(N1)C TS32083 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.18 CC1CC(=O)OC1=O TS32036 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.18 CN1CC(=O)N=C1N TS04376 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.18 CN1CC(=O)N=C1N TS40796 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.18 CN1CC(=O)NC1=O TS32047 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C TS04316 [0,1,0,1,0,0|0,0,2]=4 577 B8R1.18 C[C@H]1C(=O)OC(=O)N1 TS04514 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.51 CC1(CC(=O)C=C1)C TS31840 [0,1,0,1,0,0|0,0,0]=2 579 B8R1.51 CC1(CC(=O)NC1)O TS04535 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.51 CC1(CCC(=O)N1)C TS32021 [0,1,0,1,0,0|0,0,2]=4 581 B8R1.51 CC1(CCC(=O)O1)C TS16955 [0,1,0,1,0,0|0,0,2]=4 582 B8R1.51 CC1(COC(=O)N1)C TS90306 [0,1,0,1,0,0|1,0,1]=4 583 B8R1.2 C1CC(CC=C1)CO TS31925 [0,1,0,1,0,0|1,0,1]=4 584 B8R1.2 C1CC(CC=C1)CO TS93417 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.2 C1CC(OC=C1)CO TS04428 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.2 CNC1CCC=CO1 TS32011 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.2 COC1CCC=CO1 TS04445 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.2 COC1CCCC=C1 TS31935 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.3 CC1CCC(=O)CC1 TS39765 [0,1,0,1,0,0|0,0,2]=4 590 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [0,1,0,1,0,0|0,0,2]=4 591 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.5 CC1CCCC=C1C TS31849 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.5 Cc1cccc[n+]1C TS25681 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.5 Cc1ccccc1C TS04099 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.5 Cc1cccnc1C TS07903 [0,1,0,1,0,0|1,0,1]=4 596 B8R1.41 CCC=CC1(CC1)N TS31891 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.50 CC1CCC(=O)N1C TS04391 [0,1,0,1,0,0|0,0,2]=4 598 B8R1.50 CN1C(=O)C=CC1=O TS04240 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.50 Cc1ccc(n1C)C TS31807 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.7 CC(C)C1=CC=CC1 TS04141 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.7 CC(C)C1=CCCC1 TS31848 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.7 CC(C)C1C=CC=C1 TS31786 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.7 CC(C)c1[nH]ccn1 TS04207 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.7 CC(C)n1cccn1 TS04211 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.7 CC(C)n1ccnc1 TS04209 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.7 CC(c1ccco1)N TS04253 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.7 CC(c1ccco1)O TS31898 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.7 CC(c1ccoc1)N TS31874 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.7 CC(c1cscn1)N TS77127 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.7 CN(C)c1cccs1 TS36249 [0,1,0,1,0,0|1,1,0]=4 612 B8R1.7 C[C@@H](c1cccs1)O TS05368 [0,1,0,1,0,0|1,1,0]=4 613 B8R1.7 C[C@H](c1ccco1)O TS31904 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.7 C[C@H](c1cccs1)O TS08060 [0,1,0,1,0,0|1,1,0]=4 615 B8R1.19 CC1(CCC=N1=O)C TS32646 [0,1,0,1,0,0|0,0,2]=4 616 B8R1.19 CC1(CCCC1=O)C TS31947 [0,1,0,1,0,0|0,0,2]=4 617 B8R1.19 CC1(CCOC1=O)C TS55730 [0,1,0,1,0,0|0,0,2]=4 618 B8R1.35 C1CC1CCC(=O)O TS04433 [0,1,0,1,0,0|0,0,2]=4 619 B8R1.72 CC1(CCC=CC1)C TS04217 [0,1,0,1,0,0|1,0,1]=4 620 B8R1.23 CC(C)C1CC(=O)N1 TS32020 [0,1,0,1,0,0|0,0,2]=4 621 B8R1.23 CC1CC(C1)C(=O)O TS88279 [0,1,0,1,0,0|0,0,2]=4 622 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O TS89006 [0,1,0,1,0,0|0,0,2]=4 623 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O TS89005 [0,1,0,1,0,0|0,0,2]=4 624 B8R1.77 CC1(CC1C(=O)O)C TS47118 [0,1,0,1,0,0|0,0,2]=4 625 B8R1.77 CC1(C[C@@H]1C(=O)N)C TS94076 [0,1,0,1,0,0|0,0,2]=4 626 B8R1.77 CC1(C[C@@H]1C(=O)O)C TS16627 [0,1,0,1,0,0|0,0,2]=4 627 B8R2.34 C1CC2CC1C=C2 TS03681 [0,0,0,2,0,0|1,0,1]=4