0 B6R1.2 C1C(=O)NCN1 TS32972 [0,0,0,0,0,0|2,1,1]=4 1 B6R1.2 C1C(CO[NH2+]1)O TS36081 [0,0,0,0,0,0|2,1,0]=3 2 B6R1.2 C1C=CCC1=O TS03462 [0,0,0,0,0,0|0,1,3]=4 3 B6R1.2 C1C=CCC1N TS04803 [0,0,0,0,0,0|1,0,2]=3 4 B6R1.2 C1C=CCC1O TS71171 [0,0,0,0,0,0|0,1,2]=3 5 B6R1.2 C1CC(=N)SC1 TS03910 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 C1CC(=NC1)N TS04838 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 C1CC(=O)C=C1 TS00977 [0,0,0,0,0,0|0,1,3]=4 8 B6R1.2 C1CC(=O)NC1 TS39938 [0,0,0,0,0,0|1,1,1]=3 9 B6R1.2 C1CC(=O)NC1 TS63365 [0,0,0,0,0,0|1,1,1]=3 10 B6R1.2 C1CC(=O)SC1 TS31607 [0,0,0,0,0,0|1,1,1]=3 11 B6R1.2 C1CC(=S)NC1 TS03912 [0,0,0,0,0,0|1,0,2]=3 12 B6R1.2 C1CC(C=C1)Cl TS31621 [0,0,0,0,0,0|1,0,2]=3 13 B6R1.2 C1CC(OC1)N TS03559 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 C1CC=C(C1)Cl TS31619 [0,0,0,0,0,0|1,0,2]=3 15 B6R1.2 C1CCC(=O)C1 TS03493 [0,0,0,0,0,0|0,1,1]=2 16 B6R1.2 C1CCC(C1)Br TS55827 [0,0,0,0,0,0|1,0,0]=1 17 B6R1.2 C1CCC(C1)Br TS68904 [0,0,0,0,0,0|1,0,0]=1 18 B6R1.2 C1CCC(C1)Cl TS04055 [0,0,0,0,0,0|1,0,0]=1 19 B6R1.2 C1CCC(C1)I TS18162 [0,0,0,0,0,0|1,0,0]=1 20 B6R1.2 C1CCC(C1)N TS34563 [0,0,0,0,0,0|1,0,0]=1 21 B6R1.2 C1CCC(C1)O TS71762 [0,0,0,0,0,0|0,1,0]=1 22 B6R1.2 C1CCC(C1)S TS03980 [0,0,0,0,0,0|0,0,0]=0 23 B6R1.2 C1CCC(C1)[SiH3] TS03890 [0,0,0,0,0,0|1,0,0]=1 24 B6R1.2 C1CCC(C1)[Zn+] TS44590 [0,0,0,0,0,0|1,0,0]=1 25 B6R1.2 C1CCN(C1)N TS03537 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 C1CCN(C1)N TS32538 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 C1CCS(=O)C1 TS31677 [0,0,0,0,0,0|1,1,0]=2 28 B6R1.2 C1CNC(=O)N1 TS93146 [0,0,0,0,0,0|2,1,1]=4 29 B6R1.2 C1CNC(=S)N1 TS31609 [0,0,0,0,0,0|2,0,2]=4 30 B6R1.2 C1CNCC1=O TS88446 [0,0,0,0,0,0|1,1,1]=3 31 B6R1.2 C1CNCC1F TS36083 [0,0,0,0,0,0|2,0,0]=2 32 B6R1.2 C1CNCC1F TS46663 [0,0,0,0,0,0|2,0,0]=2 33 B6R1.2 C1CNCC1N TS32537 [0,0,0,0,0,0|2,0,0]=2 34 B6R1.2 C1CNCC1O TS02802 [0,0,0,0,0,0|1,1,0]=2 35 B6R1.2 C1CNC[C@@H]1F TS00303 [0,0,0,0,0,0|2,0,0]=2 36 B6R1.2 C1CNC[C@@H]1F TS03597 [0,0,0,0,0,0|2,0,0]=2 37 B6R1.2 C1CNC[C@@H]1N TS03541 [0,0,0,0,0,0|2,0,0]=2 38 B6R1.2 C1CNC[C@@H]1N TS42016 [0,0,0,0,0,0|2,0,0]=2 39 B6R1.2 C1CNC[C@@H]1O TS87275 [0,0,0,0,0,0|1,1,0]=2 40 B6R1.2 C1CNC[C@@H]1O TS87623 [0,0,0,0,0,0|1,1,0]=2 41 B6R1.2 C1CNC[C@H]1F TS08083 [0,0,0,0,0,0|2,0,0]=2 42 B6R1.2 C1CNC[C@H]1F TS88030 [0,0,0,0,0,0|2,0,0]=2 43 B6R1.2 C1CNC[C@H]1N TS39939 [0,0,0,0,0,0|2,0,0]=2 44 B6R1.2 C1CNC[C@H]1N TS42017 [0,0,0,0,0,0|2,0,0]=2 45 B6R1.2 C1CNC[C@H]1O TS46618 [0,0,0,0,0,0|1,1,0]=2 46 B6R1.2 C1CNC[C@H]1O TS46665 [0,0,0,0,0,0|1,1,0]=2 47 B6R1.2 C1CNC[C@H]1O TS91049 [0,0,0,0,0,0|1,1,0]=2 48 B6R1.2 C1CNC[C@H]1O TS94423 [0,0,0,0,0,0|1,1,0]=2 49 B6R1.2 C1CNNC1=O TS04946 [0,0,0,0,0,0|2,1,1]=4 50 B6R1.2 C1COC(=O)N1 TS03552 [0,0,0,0,0,0|2,1,1]=4 51 B6R1.2 C1COC(=O)O1 TS71793 [0,0,0,0,0,0|2,1,1]=4 52 B6R1.2 C1COC(=S)N1 TS03998 [0,0,0,0,0,0|2,0,2]=4 53 B6R1.2 C1COCC1=O TS01440 [0,0,0,0,0,0|1,1,1]=3 54 B6R1.2 C1COCC1Br TS88092 [0,0,0,0,0,0|2,0,0]=2 55 B6R1.2 C1COCC1Cl TS31737 [0,0,0,0,0,0|2,0,0]=2 56 B6R1.2 C1COCC1I TS86694 [0,0,0,0,0,0|2,0,0]=2 57 B6R1.2 C1COCC1N TS89945 [0,0,0,0,0,0|2,0,0]=2 58 B6R1.2 C1COCC1O TS06712 [0,0,0,0,0,0|1,1,0]=2 59 B6R1.2 C1COCC1O TS59434 [0,0,0,0,0,0|1,1,0]=2 60 B6R1.2 C1COCC1O TS89114 [0,0,0,0,0,0|1,1,0]=2 61 B6R1.2 C1COC[C@@H]1I TS91739 [0,0,0,0,0,0|2,0,0]=2 62 B6R1.2 C1COC[C@@H]1N TS04989 [0,0,0,0,0,0|2,0,0]=2 63 B6R1.2 C1COC[C@@H]1N TS85171 [0,0,0,0,0,0|2,0,0]=2 64 B6R1.2 C1COC[C@@H]1O TS01967 [0,0,0,0,0,0|1,1,0]=2 65 B6R1.2 C1COC[C@H]1I TS88696 [0,0,0,0,0,0|2,0,0]=2 66 B6R1.2 C1COC[C@H]1N TS46680 [0,0,0,0,0,0|2,0,0]=2 67 B6R1.2 C1COC[C@H]1O TS59862 [0,0,0,0,0,0|1,1,0]=2 68 B6R1.2 C1COP(O1)Cl TS36189 [0,0,0,0,0,0|4,0,0]=4 69 B6R1.2 C1COS(=O)O1 TS08730 [0,0,0,0,0,0|3,1,0]=4 70 B6R1.2 C1CSC(=N1)N TS06330 [0,0,0,0,0,0|3,0,1]=4 71 B6R1.2 C1CSC(=N1)S TS04797 [0,0,0,0,0,0|2,0,1]=3 72 B6R1.2 C1CSC(=O)N1 TS03996 [0,0,0,0,0,0|2,1,1]=4 73 B6R1.2 C1CSC(=S)S1 TS37062 [0,0,0,0,0,0|2,0,2]=4 74 B6R1.2 C1CSCC1=O TS81072 [0,0,0,0,0,0|1,1,1]=3 75 B6R1.2 C1CSCC1Cl TS32541 [0,0,0,0,0,0|2,0,0]=2 76 B6R1.2 C1CSCC1N TS04016 [0,0,0,0,0,0|2,0,0]=2 77 B6R1.2 C1CSCC1O TS31682 [0,0,0,0,0,0|1,1,0]=2 78 B6R1.2 CC1=CCCC1 TS71683 [0,0,0,0,0,0|1,0,2]=3 79 B6R1.2 CC1=CCCO1 TS03492 [0,0,0,0,0,0|2,0,2]=4 80 B6R1.2 CC1=NCCC1 TS32917 [0,0,0,0,0,0|2,0,1]=3 81 B6R1.2 CC1=NCCO1 TS71733 [0,0,0,0,0,0|3,0,1]=4 82 B6R1.2 CC1=NCCS1 TS03913 [0,0,0,0,0,0|3,0,1]=4 83 B6R1.2 CC1CCCC1 TS22155 [0,0,0,0,0,0|1,0,0]=1 84 B6R1.2 CC1CCCC1 TS22325 [0,0,0,0,0,0|1,0,0]=1 85 B6R1.2 CC1CCCC1 TS31194 [0,0,0,0,0,0|1,0,0]=1 86 B6R1.2 CC1CCCC1 TS69413 [0,0,0,0,0,0|1,0,0]=1 87 B6R1.2 CC1CCCC1 TS77214 [0,0,0,0,0,0|1,0,0]=1 88 B6R1.2 CC1CCCC1 TS77590 [0,0,0,0,0,0|1,0,0]=1 89 B6R1.2 CC1CCCN1 TS03512 [0,0,0,0,0,0|2,0,0]=2 90 B6R1.2 CC1CCCO1 TS71748 [0,0,0,0,0,0|2,0,0]=2 91 B6R1.2 CC1CCCS1 TS03982 [0,0,0,0,0,0|2,0,0]=2 92 B6R1.2 CC1CCNC1 TS04878 [0,0,0,0,0,0|2,0,0]=2 93 B6R1.2 CC1CCOC1 TS71755 [0,0,0,0,0,0|2,0,0]=2 94 B6R1.2 CC1CCSC1 TS03984 [0,0,0,0,0,0|2,0,0]=2 95 B6R1.2 CC1COCO1 TS03579 [0,0,0,0,0,0|3,0,0]=3 96 B6R1.2 CC1OCCO1 TS03576 [0,0,0,0,0,0|3,0,0]=3 97 B6R1.2 CC1SCCS1 TS32438 [0,0,0,0,0,0|3,0,0]=3 98 B6R1.2 CN1CCCC1 TS85196 [0,0,0,0,0,0|2,0,0]=2 99 B6R1.2 C[C@@H]1CCNC1 TS46531 [0,0,0,0,0,0|2,0,0]=2 100 B6R1.2 C[C@H]1CCCN1 TS08127 [0,0,0,0,0,0|2,0,0]=2 101 B6R1.2 C[C@H]1CCCN1 TS59864 [0,0,0,0,0,0|2,0,0]=2 102 B6R1.2 C[C@H]1CCNC1 TS04879 [0,0,0,0,0,0|2,0,0]=2 103 B5R1.1 C1C=CCN1 TS03158 [1,0,0,0,0,0|1,0,2]=4 104 B5R1.1 C1C=CCO1 TS47265 [1,0,0,0,0,0|1,0,2]=4 105 B5R1.1 C1C=CC[SiH2]1 TS71724 [1,0,0,0,0,0|0,1,2]=4 106 B5R1.1 C1CC=CC1 TS70869 [1,0,0,0,0,0|0,0,2]=3 107 B5R1.1 C1CCCC1 TS79215 [1,0,0,0,0,0|0,0,0]=1 108 B5R1.1 C1CCCC1 TS83096 [1,0,0,0,0,0|0,0,0]=1 109 B5R1.1 C1CCNC1 TS59825 [1,0,0,0,0,0|1,0,0]=2 110 B5R1.1 C1CCOC1 TS24765 [1,0,0,0,0,0|1,0,0]=2 111 B5R1.1 C1CCOC1 TS39373 [1,0,0,0,0,0|1,0,0]=2 112 B5R1.1 C1CCOC1 TS44432 [1,0,0,0,0,0|1,0,0]=2 113 B5R1.1 C1CCOC1 TS48211 [1,0,0,0,0,0|1,0,0]=2 114 B5R1.1 C1CCOC1 TS60631 [1,0,0,0,0,0|1,0,0]=2 115 B5R1.1 C1CCOC1 TS63866 [1,0,0,0,0,0|1,0,0]=2 116 B5R1.1 C1CCOC1 TS71600 [1,0,0,0,0,0|1,0,0]=2 117 B5R1.1 C1CCOC1 TS80255 [1,0,0,0,0,0|1,0,0]=2 118 B5R1.1 C1CCSC1 TS71810 [1,0,0,0,0,0|1,0,0]=2 119 B5R1.1 C1CNN=C1 TS03359 [1,0,0,0,0,0|2,0,1]=4 120 B5R1.1 C1COC=C1 TS07898 [1,0,0,0,0,0|1,0,2]=4 121 B5R1.1 C1COC=N1 TS03370 [1,0,0,0,0,0|2,0,1]=4 122 B5R1.1 C1COCO1 TS03392 [1,0,0,0,0,0|2,0,0]=3 123 B7R1.1 C#CC1CCCC1 TS03680 [0,1,0,0,0,0|1,0,0]=2 124 B7R1.1 C#CC1CCCC1 TS43724 [0,1,0,0,0,0|1,0,0]=2 125 B7R1.1 C#CC1CCOC1 TS90205 [0,1,0,0,0,0|2,0,0]=3 126 B7R1.1 C1C(OCO1)CO TS31671 [0,1,0,0,0,0|2,1,0]=4 127 B7R1.1 C1C=CCC1CI TS43382 [0,1,0,0,0,0|1,0,2]=4 128 B7R1.1 C1C=CCC1CO TS03780 [0,1,0,0,0,0|0,1,2]=4 129 B7R1.1 C1CC(=NO)NC1 TS03851 [0,1,0,0,0,0|1,1,1]=4 130 B7R1.1 C1CC(NC1)C#N TS31381 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.1 C1CC(NC1)CN TS08246 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.1 C1CC(OC1)C=O TS16819 [0,1,0,0,0,0|1,1,0]=3 133 B7R1.1 C1CC(OC1)CBr TS42845 [0,1,0,0,0,0|2,0,0]=3 134 B7R1.1 C1CC(OC1)CCl TS32449 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.1 C1CC(OC1)CN TS39685 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.1 C1CC(OC1)CO TS59435 [0,1,0,0,0,0|1,1,0]=3 137 B7R1.1 C1CC=C(C1)C#N TS71878 [0,1,0,0,0,0|1,0,2]=4 138 B7R1.1 C1CC=C(C1)CBr TS90531 [0,1,0,0,0,0|1,0,2]=4 139 B7R1.1 C1CCC(C1)C#N TS03699 [0,1,0,0,0,0|1,0,0]=2 140 B7R1.1 C1CCC(C1)C=O TS55823 [0,1,0,0,0,0|0,1,0]=2 141 B7R1.1 C1CCC(C1)CBr TS16535 [0,1,0,0,0,0|1,0,0]=2 142 B7R1.1 C1CCC(C1)CO TS31527 [0,1,0,0,0,0|0,1,0]=2 143 B7R1.1 C1CCC(C1)CO TS44787 [0,1,0,0,0,0|0,1,0]=2 144 B7R1.1 C1CCC(C1)NN TS55828 [0,1,0,0,0,0|1,0,0]=2 145 B7R1.1 C1CCC(C1)[Mg]Br TS45683 [0,1,0,0,0,0|1,0,0]=2 146 B7R1.1 C1CCN(C1)C#N TS31374 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.1 C1CCN(C1)C=O TS03825 [0,1,0,0,0,0|1,1,0]=3 148 B7R1.1 C1CCN(C1)CI TS43938 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.1 C1CCN(C1)N=O TS03853 [0,1,0,0,0,0|1,1,0]=3 150 B7R1.1 C1CNCC1C#N TS22733 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.1 C1CNCC1C#N TS86150 [0,1,0,0,0,0|2,0,0]=3 152 B7R1.1 C1CNCC1CO TS01674 [0,1,0,0,0,0|1,1,0]=3 153 B7R1.1 C1CNCC1CO TS90843 [0,1,0,0,0,0|1,1,0]=3 154 B7R1.1 C1CNC[C@@H]1C#N TS89338 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.1 C1CNC[C@@H]1CO TS86165 [0,1,0,0,0,0|1,1,0]=3 156 B7R1.1 C1CNC[C@@H]1CO TS87755 [0,1,0,0,0,0|1,1,0]=3 157 B7R1.1 C1CNC[C@H]1C#N TS85734 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.1 C1CNC[C@H]1CO TS90835 [0,1,0,0,0,0|1,1,0]=3 159 B7R1.1 C1CNC[C@H]1CO TS91204 [0,1,0,0,0,0|1,1,0]=3 160 B7R1.1 C1COC(O1)CBr TS12331 [0,1,0,0,0,0|3,0,0]=4 161 B7R1.1 C1COC(O1)CCl TS04942 [0,1,0,0,0,0|3,0,0]=4 162 B7R1.1 C1COCC1C#N TS31394 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.1 C1COCC1C=O TS85084 [0,1,0,0,0,0|1,1,0]=3 164 B7R1.1 C1COCC1CBr TS42850 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.1 C1COCC1CCl TS32453 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.1 C1COCC1CI TS21229 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.1 C1COCC1CN TS37140 [0,1,0,0,0,0|2,0,0]=3 168 B7R1.1 C1COCC1CO TS90635 [0,1,0,0,0,0|1,1,0]=3 169 B7R1.1 C1COCC1NN TS13628 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.1 C1COC[C@@H]1C#N TS87940 [0,1,0,0,0,0|2,0,0]=3 171 B7R1.1 C1COC[C@@H]1CN TS86866 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.1 C1COC[C@@H]1CO TS90533 [0,1,0,0,0,0|1,1,0]=3 173 B7R1.1 C1COC[C@H]1C#N TS85881 [0,1,0,0,0,0|2,0,0]=3 174 B7R1.1 C1COC[C@H]1CN TS87555 [0,1,0,0,0,0|2,0,0]=3 175 B7R1.1 C1COC[C@H]1CO TS91740 [0,1,0,0,0,0|1,1,0]=3 176 B7R1.1 C1C[C@@H](NC1)C#N TS36734 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.1 C1C[C@@H](NC1)C#N TS90491 [0,1,0,0,0,0|2,0,0]=3 178 B7R1.1 C1C[C@@H](NC1)CO TS55885 [0,1,0,0,0,0|1,1,0]=3 179 B7R1.1 C1C[C@@H](OC1)CN TS08645 [0,1,0,0,0,0|2,0,0]=3 180 B7R1.1 C1C[C@H](NC1)C#N TS46676 [0,1,0,0,0,0|2,0,0]=3 181 B7R1.1 C1C[C@H](NC1)C#N TS90329 [0,1,0,0,0,0|2,0,0]=3 182 B7R1.1 C1C[C@H](NC1)CF TS37317 [0,1,0,0,0,0|2,0,0]=3 183 B7R1.1 C1C[C@H](NC1)CF TS86985 [0,1,0,0,0,0|2,0,0]=3 184 B7R1.1 C1C[C@H](NC1)CN TS03869 [0,1,0,0,0,0|2,0,0]=3 185 B7R1.1 C1C[C@H](NC1)CN TS86369 [0,1,0,0,0,0|2,0,0]=3 186 B7R1.1 C1C[C@H](NC1)CO TS46675 [0,1,0,0,0,0|1,1,0]=3 187 B7R1.1 C1C[C@H](NC1)CO TS90617 [0,1,0,0,0,0|1,1,0]=3 188 B7R1.1 C1C[C@H](OC1)CN TS07684 [0,1,0,0,0,0|2,0,0]=3 189 B7R1.1 C1C[C@H](OC1)CO TS03948 [0,1,0,0,0,0|1,1,0]=3 190 B7R1.1 C1[C@H](NCS1)C#N TS09979 [0,1,0,0,0,0|3,0,0]=4 191 B7R1.1 C=CC1CCCC1 TS44110 [0,1,0,0,0,0|1,0,0]=2 192 B7R1.1 C=CC1OCCO1 TS03848 [0,1,0,0,0,0|3,0,0]=4 193 B7R1.1 CC=C1CCCC1 TS03729 [0,1,0,0,0,0|1,0,1]=3 194 B7R1.1 CCC1=CCCC1 TS03731 [0,1,0,0,0,0|1,0,2]=4 195 B7R1.1 CCC1CCC=C1 TS03720 [0,1,0,0,0,0|1,0,2]=4 196 B7R1.1 CCC1CCCC1 TS21020 [0,1,0,0,0,0|1,0,0]=2 197 B7R1.1 CCC1CCCC1 TS21612 [0,1,0,0,0,0|1,0,0]=2 198 B7R1.1 CCC1CCCC1 TS35071 [0,1,0,0,0,0|1,0,0]=2 199 B7R1.1 CCC1CCCC1 TS57108 [0,1,0,0,0,0|1,0,0]=2 200 B7R1.1 CCC1CCCC1 TS57519 [0,1,0,0,0,0|1,0,0]=2 201 B7R1.1 CCC1CCCC1 TS62096 [0,1,0,0,0,0|1,0,0]=2 202 B7R1.1 CCC1CCCC1 TS70230 [0,1,0,0,0,0|1,0,0]=2 203 B7R1.1 CCC1CCCC1 TS70344 [0,1,0,0,0,0|1,0,0]=2 204 B7R1.1 CCC1CCCC1 TS75798 [0,1,0,0,0,0|1,0,0]=2 205 B7R1.1 CCC1CCCC1 TS78923 [0,1,0,0,0,0|1,0,0]=2 206 B7R1.1 CCC1CCCC1 TS80049 [0,1,0,0,0,0|1,0,0]=2 207 B7R1.1 CCC1OCCO1 TS03937 [0,1,0,0,0,0|3,0,0]=4 208 B7R1.1 CCN1CCCC1 TS03828 [0,1,0,0,0,0|2,0,0]=3 209 B7R1.1 CNC1CCNC1 TS03875 [0,1,0,0,0,0|2,0,0]=3 210 B7R1.1 CNC1CCOC1 TS87367 [0,1,0,0,0,0|2,0,0]=3 211 B7R1.1 CN[C@@H]1CCNC1 TS03876 [0,1,0,0,0,0|2,0,0]=3 212 B7R1.1 CN[C@@H]1CCOC1 TS90607 [0,1,0,0,0,0|2,0,0]=3 213 B7R1.1 CN[C@H]1CCOC1 TS85956 [0,1,0,0,0,0|2,0,0]=3 214 B7R1.1 COC1=NCCC1 TS03819 [0,1,0,0,0,0|1,1,1]=4 215 B7R1.1 COC1CCCC1 TS03863 [0,1,0,0,0,0|0,1,0]=2 216 B7R1.1 COC1CCNC1 TS02829 [0,1,0,0,0,0|1,1,0]=3 217 B7R1.1 COC1CCNC1 TS90836 [0,1,0,0,0,0|1,1,0]=3 218 B7R1.1 COC1OCCO1 TS31667 [0,1,0,0,0,0|2,1,0]=4 219 B7R1.1 CO[C@@H]1CCNC1 TS88166 [0,1,0,0,0,0|1,1,0]=3 220 B7R1.1 CO[C@@H]1CCNC1 TS89625 [0,1,0,0,0,0|1,1,0]=3 221 B7R1.1 CO[C@H]1CCNC1 TS85697 [0,1,0,0,0,0|1,1,0]=3 222 B7R1.1 CSC1=NCCN1 TS04613 [0,1,0,0,0,0|2,0,1]=4 223 B7R1.1 CSC1=NCCN1 TS61969 [0,1,0,0,0,0|2,0,1]=4 224 B7R1.1 CSC1=NCCS1 TS00519 [0,1,0,0,0,0|2,0,1]=4 225 B7R1.1 CSC1CCCC1 TS04638 [0,1,0,0,0,0|0,0,0]=1 226 B7R1.1 [C-]#[N+]C1CCCC1 TS03697 [0,1,0,0,0,0|1,0,0]=2 227 B7R1.2 C1C(CNC1=O)N TS87465 [0,1,0,0,0,0|1,1,1]=4 228 B7R1.2 C1C(COC1=O)O TS31581 [0,1,0,0,0,0|1,1,1]=4 229 B7R1.2 C1CC(=O)CC1=O TS46791 [0,1,0,0,0,0|0,1,2]=4 230 B7R1.2 C1CC(CC1N)N TS03878 [0,1,0,0,0,0|1,0,0]=2 231 B7R1.2 C1CC(CC1N)O TS86416 [0,1,0,0,0,0|0,1,0]=2 232 B7R1.2 C1C[C@@H](C[C@@H]1N)O TS85957 [0,1,0,0,0,0|0,1,0]=2 233 B7R1.2 C1C[C@@H](C[C@H]1N)O TS87237 [0,1,0,0,0,0|0,1,0]=2 234 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [0,1,0,0,0,0|1,1,1]=4 235 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [0,1,0,0,0,0|1,0,1]=3 236 B7R1.2 C1[C@@H](COC1=O)N TS37130 [0,1,0,0,0,0|1,1,1]=4 237 B7R1.2 C1[C@@H](COC1=O)O TS33101 [0,1,0,0,0,0|1,1,1]=4 238 B7R1.2 C1[C@H](C=C[C@H]1O)O TS31496 [0,1,0,0,0,0|0,1,2]=4 239 B7R1.2 C1[C@H](CNC1=O)O TS01973 [0,1,0,0,0,0|1,1,1]=4 240 B7R1.2 C1[C@H](CNC1=O)S TS04686 [0,1,0,0,0,0|1,0,1]=3 241 B7R1.2 C1[C@H](COC1=O)O TS46585 [0,1,0,0,0,0|1,1,1]=4 242 B7R1.2 CC1CCC(N1)C TS94712 [0,1,0,0,0,0|2,0,0]=3 243 B7R1.2 CC1CCC(O1)C TS47281 [0,1,0,0,0,0|2,0,0]=3 244 B7R1.2 CC1COC(O1)C TS03942 [0,1,0,0,0,0|3,0,0]=4 245 B7R1.2 CN1CCC(C1)N TS03871 [0,1,0,0,0,0|2,0,0]=3 246 B7R1.2 CN1CCC(C1)O TS31556 [0,1,0,0,0,0|1,1,0]=3 247 B7R1.2 CN1CC[C@@H](C1)N TS86663 [0,1,0,0,0,0|2,0,0]=3 248 B7R1.2 CN1CC[C@@H](C1)O TS03901 [0,1,0,0,0,0|1,1,0]=3 249 B7R1.2 CN1CC[C@H](C1)O TS03903 [0,1,0,0,0,0|1,1,0]=3 250 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,1,0,0,0,0|1,1,1]=4 251 B7R1.2 C[C@@H]1CC[C@@H](C1)C TS03800 [0,1,0,0,0,0|1,0,0]=2 252 B7R1.2 C[C@H]1CC[C@@H](C1)C TS31449 [0,1,0,0,0,0|1,0,0]=2 253 B7R1.4 C1CC(=C(C1)Br)Br TS52252 [0,1,0,0,0,0|1,0,2]=4 254 B7R1.4 C1CC(C(=O)C1)Br TS55161 [0,1,0,0,0,0|0,1,1]=3 255 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [0,1,0,0,0,0|0,1,1]=3 256 B7R1.4 C1CC(C(C1)Cl)Cl TS06337 [0,1,0,0,0,0|1,0,0]=2 257 B7R1.4 C1CC(C(C1)O)N TS03905 [0,1,0,0,0,0|0,1,0]=2 258 B7R1.4 C1CNC(=O)C1N TS94857 [0,1,0,0,0,0|1,1,1]=4 259 B7R1.4 C1CNC(=O)C1O TS02803 [0,1,0,0,0,0|1,1,1]=4 260 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [0,1,0,0,0,0|1,1,1]=4 261 B7R1.4 C1COC(=O)C1Br TS65029 [0,1,0,0,0,0|1,1,1]=4 262 B7R1.4 C1COC(=O)C1O TS70622 [0,1,0,0,0,0|1,1,1]=4 263 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [0,1,0,0,0,0|1,1,1]=4 264 B7R1.4 C1COC(=O)[C@H]1N TS37131 [0,1,0,0,0,0|1,1,1]=4 265 B7R1.4 C1COC(C1Br)Br TS52914 [0,1,0,0,0,0|2,0,0]=3 266 B7R1.4 C1COC(C1Cl)Cl TS37466 [0,1,0,0,0,0|2,0,0]=3 267 B7R1.4 C1CSC(=O)C1N TS41321 [0,1,0,0,0,0|1,1,1]=4 268 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [0,1,0,0,0,0|1,1,1]=4 269 B7R1.4 C1C[C@@H]([C@H](C1)O)N TS59451 [0,1,0,0,0,0|0,1,0]=2 270 B7R1.4 C1C[C@@H]([C@H](C1)O)O TS03951 [0,1,0,0,0,0|0,1,0]=2 271 B7R1.4 C1C[C@H]([C@@H](C1)Cl)Cl TS06338 [0,1,0,0,0,0|1,0,0]=2 272 B7R1.4 C1C[C@H]([C@@H](C1)O)N TS94575 [0,1,0,0,0,0|0,1,0]=2 273 B7R1.4 C1C[C@H]([C@@H](C1)O)O TS03935 [0,1,0,0,0,0|0,1,0]=2 274 B7R1.4 C1C[C@H]([C@H](C1)O)N TS55819 [0,1,0,0,0,0|0,1,0]=2 275 B7R1.4 C1C[C@H]([C@H](C1)O)O TS03956 [0,1,0,0,0,0|0,1,0]=2 276 B7R1.4 C1[C@@H]([C@H](CN1)F)F TS92386 [0,1,0,0,0,0|2,0,0]=3 277 B7R1.4 C1[C@@H]([C@H](CN1)O)O TS87014 [0,1,0,0,0,0|1,1,0]=3 278 B7R1.4 C1[C@@H]([C@H](CO1)N)N TS92585 [0,1,0,0,0,0|2,0,0]=3 279 B7R1.4 C1[C@@H]([C@H](CO1)N)N TS92586 [0,1,0,0,0,0|2,0,0]=3 280 B7R1.4 C1[C@@H]([C@H](CO1)O)O TS31674 [0,1,0,0,0,0|1,1,0]=3 281 B7R1.4 C1[C@H]([C@@H](CN1)F)O TS92108 [0,1,0,0,0,0|1,1,0]=3 282 B7R1.4 C1[C@H]([C@@H](CN1)O)O TS89590 [0,1,0,0,0,0|1,1,0]=3 283 B7R1.4 C1[C@H]([C@@H](CO1)N)N TS87919 [0,1,0,0,0,0|2,0,0]=3 284 B7R1.4 C1[C@H]([C@H](CN1)F)F TS92089 [0,1,0,0,0,0|2,0,0]=3 285 B7R1.4 C1[C@H]([C@H](CN1)O)O TS91803 [0,1,0,0,0,0|1,1,0]=3 286 B7R1.4 C1[C@H]([C@H](CO1)N)N TS87566 [0,1,0,0,0,0|2,0,0]=3 287 B7R1.4 CC1=C(CCC1)C TS03727 [0,1,0,0,0,0|1,0,2]=4 288 B7R1.4 CC1=C(CCO1)S TS04610 [0,1,0,0,0,0|1,0,2]=4 289 B7R1.4 CC1=C(CCO1)S TS11013 [0,1,0,0,0,0|1,0,2]=4 290 B7R1.4 CC1C(=O)CCO1 TS31501 [0,1,0,0,0,0|1,1,1]=4 291 B7R1.4 CC1C(=O)CCS1 TS04612 [0,1,0,0,0,0|1,1,1]=4 292 B7R1.4 CC1C(CCO1)S TS32361 [0,1,0,0,0,0|1,0,0]=2 293 B7R1.4 CC1CCC=C1C TS31386 [0,1,0,0,0,0|1,0,2]=4 294 B7R1.4 CC1CCNC1=O TS70662 [0,1,0,0,0,0|1,1,1]=4 295 B7R1.4 CC1CCOC1=O TS59696 [0,1,0,0,0,0|1,1,1]=4 296 B7R1.4 CN1CCCC1=O TS46986 [0,1,0,0,0,0|1,1,1]=4 297 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [0,1,0,0,0,0|1,0,0]=2 298 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [0,1,0,0,0,0|1,0,0]=2 299 B7R1.14 C1CCC(C1)(F)F TS04079 [0,1,0,0,0,0|1,0,0]=2 300 B7R1.14 C1CCS(=O)(=O)C1 TS00274 [0,1,0,0,0,0|1,1,0]=3 301 B7R1.14 C1CC[Si](C1)(Cl)Cl TS10548 [0,1,0,0,0,0|1,1,0]=3 302 B7R1.14 C1CNCC1(F)F TS06901 [0,1,0,0,0,0|2,0,0]=3 303 B7R1.14 C1CNS(=O)(=O)C1 TS89279 [0,1,0,0,0,0|2,1,0]=4 304 B7R1.14 C1COS(=O)(=O)C1 TS07867 [0,1,0,0,0,0|2,1,0]=4 305 B7R1.14 CC1(CCCC1)C TS31456 [0,1,0,0,0,0|1,0,0]=2 306 B7R1.14 CC1(CCCN1)C TS89244 [0,1,0,0,0,0|2,0,0]=3 307 B7R1.14 CC1(CCNC1)C TS86689 [0,1,0,0,0,0|2,0,0]=3 308 B7R1.14 CC1(CCNC1)O TS87844 [0,1,0,0,0,0|1,1,0]=3 309 B7R1.14 CC1(CCOC1)N TS86382 [0,1,0,0,0,0|2,0,0]=3 310 B7R1.14 CC1(COCN1)C TS31558 [0,1,0,0,0,0|3,0,0]=4 311 B7R1.14 CC1(NCCS1)C TS47123 [0,1,0,0,0,0|3,0,0]=4 312 B7R1.14 CC1(OCCO1)C TS03946 [0,1,0,0,0,0|3,0,0]=4 313 B7R1.14 C[N+]1(CCCC1)C TS52453 [0,1,0,0,0,0|2,0,0]=3 314 B7R1.14 C[Si]1(CCCC1)C TS32125 [0,1,0,0,0,0|1,1,0]=3 315 B5R0.1 B(CCC)(O)O TS59317 [0,0,1,0,0,0|2,1,0]=4 316 B5R0.1 CC#CC(C)C TS71688 [0,0,1,0,0,0|1,0,2]=4 317 B5R0.1 CC#C[C@H](C)O TS03495 [0,0,1,0,0,0|0,1,2]=4 318 B5R0.1 CC(=C)CCO TS71766 [0,0,1,0,0,0|2,0,1]=4 319 B5R0.1 CC(=O)CCO TS39752 [0,0,1,0,0,0|1,1,1]=4 320 B5R0.1 CC(=O)CCS TS31678 [0,0,1,0,0,0|1,1,1]=4 321 B5R0.1 CC(=O)COC TS03573 [0,0,1,0,0,0|1,1,1]=4 322 B5R0.1 CC(=O)CSC TS31685 [0,0,1,0,0,0|1,1,1]=4 323 B5R0.1 CC(C)CC#C TS03469 [0,0,1,0,0,0|1,0,2]=4 324 B5R0.1 CC(C)CC#N TS71700 [0,0,1,0,0,0|2,0,1]=4 325 B5R0.1 CC(C)CC=O TS71746 [0,0,1,0,0,0|2,0,1]=4 326 B5R0.1 CC(C)CCBr TS09985 [0,0,1,0,0,0|2,0,0]=3 327 B5R0.1 CC(C)CCCl TS31743 [0,0,1,0,0,0|2,0,0]=3 328 B5R0.1 CC(C)CCI TS18548 [0,0,1,0,0,0|2,0,0]=3 329 B5R0.1 CC(C)CCN TS71773 [0,0,1,0,0,0|2,0,0]=3 330 B5R0.1 CC(C)CCO TS71804 [0,0,1,0,0,0|2,0,0]=3 331 B5R0.1 CC(C)CCS TS31696 [0,0,1,0,0,0|2,0,0]=3 332 B5R0.1 CC(C)CC[Zn+] TS49167 [0,0,1,0,0,0|2,0,0]=3 333 B5R0.1 CC(C)CNC TS01600 [0,0,1,0,0,0|2,0,0]=3 334 B5R0.1 CC(C)CNN TS04103 [0,0,1,0,0,0|3,0,0]=4 335 B5R0.1 CC(C)CON TS36090 [0,0,1,0,0,0|3,0,0]=4 336 B5R0.1 CC(C)CSC TS31693 [0,0,1,0,0,0|2,0,0]=3 337 B5R0.1 CC(C)OCCl TS04160 [0,0,1,0,0,0|3,0,0]=4 338 B5R0.1 CC(CC#C)O TS03487 [0,0,1,0,0,0|0,1,2]=4 339 B5R0.1 CC(CC#N)Br TS40583 [0,0,1,0,0,0|2,0,1]=4 340 B5R0.1 CC(CC=C)O TS71743 [0,0,1,0,0,0|0,1,2]=4 341 B5R0.1 CC(CC=O)O TS03574 [0,0,1,0,0,0|1,1,1]=4 342 B5R0.1 CC(CCBr)Br TS21967 [0,0,1,0,0,0|2,0,0]=3 343 B5R0.1 CC(CCN)O TS02231 [0,0,1,0,0,0|1,1,0]=3 344 B5R0.1 CC(CCO)N TS60329 [0,0,1,0,0,0|2,0,0]=3 345 B5R0.1 CC(CCO)O TS71832 [0,0,1,0,0,0|1,1,0]=3 346 B5R0.1 CC(CCS)S TS04931 [0,0,1,0,0,0|1,0,0]=2 347 B5R0.1 CC(COC)N TS03608 [0,0,1,0,0,0|2,0,0]=3 348 B5R0.1 CC(COC)O TS71841 [0,0,1,0,0,0|1,1,0]=3 349 B5R0.1 CC=CC(C)C TS71719 [0,0,1,0,0,0|1,0,2]=4 350 B5R0.1 CC=CC(C)O TS71747 [0,0,1,0,0,0|0,1,2]=4 351 B5R0.1 CCC=C(C)C TS71718 [0,0,1,0,0,0|1,0,2]=4 352 B5R0.1 CCCC(=C)C TS71722 [0,0,1,0,0,0|1,0,1]=3 353 B5R0.1 CCCC(=N)N TS03542 [0,0,1,0,0,0|2,0,1]=4 354 B5R0.1 CCCC(=N)N TS04952 [0,0,1,0,0,0|2,0,1]=4 355 B5R0.1 CCCC(=O)Br TS40964 [0,0,1,0,0,0|1,1,1]=4 356 B5R0.1 CCCC(=O)C TS71754 [0,0,1,0,0,0|0,1,1]=3 357 B5R0.1 CCCC(=O)Cl TS16539 [0,0,1,0,0,0|1,1,1]=4 358 B5R0.1 CCCC(=O)N TS03561 [0,0,1,0,0,0|1,1,1]=4 359 B5R0.1 CCCC(=O)O TS03572 [0,0,1,0,0,0|1,1,1]=4 360 B5R0.1 CCCC(=O)O TS63934 [0,0,1,0,0,0|1,1,1]=4 361 B5R0.1 CCCC(=O)[O-] TS04184 [0,0,1,0,0,0|1,1,1]=4 362 B5R0.1 CCCC(=O)[O-] TS04232 [0,0,1,0,0,0|1,1,1]=4 363 B5R0.1 CCCC(=O)[O-] TS44539 [0,0,1,0,0,0|1,1,1]=4 364 B5R0.1 CCCC(=S)Cl TS37257 [0,0,1,0,0,0|1,0,2]=4 365 B5R0.1 CCCC(=S)O TS04825 [0,0,1,0,0,0|1,0,2]=4 366 B5R0.1 CCCC(C)Br TS09989 [0,0,1,0,0,0|1,0,0]=2 367 B5R0.1 CCCC(C)Cl TS31741 [0,0,1,0,0,0|1,0,0]=2 368 B5R0.1 CCCC(C)I TS18550 [0,0,1,0,0,0|1,0,0]=2 369 B5R0.1 CCCC(C)O TS03596 [0,0,1,0,0,0|0,1,0]=2 370 B5R0.1 CCCC(C)S TS31692 [0,0,1,0,0,0|0,0,0]=1 371 B5R0.1 CCCC(C)[Zn+] TS49166 [0,0,1,0,0,0|1,0,0]=2 372 B5R0.1 CCCC(Cl)Cl TS36206 [0,0,1,0,0,0|2,0,0]=3 373 B5R0.1 CCCN(C)C TS71775 [0,0,1,0,0,0|2,0,0]=3 374 B5R0.1 CCCP(Cl)Cl TS07061 [0,0,1,0,0,0|3,0,0]=4 375 B5R0.1 CCC[C@@H](C)O TS71801 [0,0,1,0,0,0|0,1,0]=2 376 B5R0.1 CCC[C@H](C)O TS71800 [0,0,1,0,0,0|0,1,0]=2 377 B5R0.1 CCC[N+](=O)[O-] TS71821 [0,0,1,0,0,0|2,1,0]=4 378 B5R0.1 CCNC(=O)C TS03563 [0,0,1,0,0,0|1,1,1]=4 379 B5R0.1 CCNC(C)C TS71777 [0,0,1,0,0,0|2,0,0]=3 380 B5R0.1 CCOC(=C)C TS71753 [0,0,1,0,0,0|2,0,1]=4 381 B5R0.1 CCOC(=O)C TS03585 [0,0,1,0,0,0|1,1,1]=4 382 B5R0.1 CCOC(=O)C TS03625 [0,0,1,0,0,0|1,1,1]=4 383 B5R0.1 CCOC(=O)C TS71827 [0,0,1,0,0,0|1,1,1]=4 384 B5R0.1 CCOC(=S)C TS31684 [0,0,1,0,0,0|1,0,2]=4 385 B5R0.1 CCOC(C)C TS03595 [0,0,1,0,0,0|2,0,0]=3 386 B5R0.1 CCOC(C)Cl TS04164 [0,0,1,0,0,0|2,0,0]=3 387 B5R0.1 CCO[SiH](C)C TS04048 [0,0,1,0,0,0|2,1,0]=4 388 B5R0.1 CCSC(=S)C TS32440 [0,0,1,0,0,0|1,0,2]=4 389 B5R0.1 CCSC(C)C TS31689 [0,0,1,0,0,0|2,0,0]=3 390 B5R0.1 CN(C)CCBr TS25321 [0,0,1,0,0,0|3,0,0]=4 391 B5R0.1 CN(C)CCN TS00990 [0,0,1,0,0,0|3,0,0]=4 392 B5R0.1 CN(C)CCO TS03600 [0,0,1,0,0,0|3,0,0]=4 393 B5R0.1 CN(C)CCS TS31711 [0,0,1,0,0,0|3,0,0]=4 394 B5R0.1 CN(C)CCS TS37538 [0,0,1,0,0,0|3,0,0]=4 395 B5R0.1 CN(C)CCS TS37540 [0,0,1,0,0,0|3,0,0]=4 396 B5R0.1 CSCS(=O)C TS05065 [0,0,1,0,0,0|2,1,0]=4 397 B5R0.1 C[C@@H](CC#N)O TS71734 [0,0,1,0,0,0|1,1,1]=4 398 B5R0.1 C[C@@H](CCO)O TS71843 [0,0,1,0,0,0|1,1,0]=3 399 B5R0.1 C[C@@H](COC)N TS03602 [0,0,1,0,0,0|2,0,0]=3 400 B5R0.1 C[C@@H](COC)O TS71834 [0,0,1,0,0,0|1,1,0]=3 401 B5R0.1 C[C@H](CC#N)O TS03507 [0,0,1,0,0,0|1,1,1]=4 402 B5R0.1 C[C@H](CC=C)O TS03535 [0,0,1,0,0,0|0,1,2]=4 403 B5R0.1 C[C@H](CCO)N TS93947 [0,0,1,0,0,0|2,0,0]=3 404 B5R0.1 C[C@H](CCO)O TS71835 [0,0,1,0,0,0|1,1,0]=3 405 B5R0.1 C[C@H](COC)O TS00301 [0,0,1,0,0,0|1,1,0]=3 406 B5R0.2 C#CCCCCl TS60430 [0,0,1,0,0,0|1,0,2]=4 407 B5R0.2 C#CCCCO TS71278 [0,0,1,0,0,0|0,1,2]=4 408 B5R0.2 C(CBr)OCCl TS45688 [0,0,1,0,0,0|3,0,0]=4 409 B5R0.2 C(CC#N)CCl TS33156 [0,0,1,0,0,0|2,0,1]=4 410 B5R0.2 C(CC#N)CI TS17989 [0,0,1,0,0,0|2,0,1]=4 411 B5R0.2 C(CC#N)C[Zn+] TS21545 [0,0,1,0,0,0|2,0,1]=4 412 B5R0.2 C(CCBr)CBr TS07886 [0,0,1,0,0,0|2,0,0]=3 413 B5R0.2 C(CCBr)CCl TS45376 [0,0,1,0,0,0|2,0,0]=3 414 B5R0.2 C(CCBr)CF TS10539 [0,0,1,0,0,0|2,0,0]=3 415 B5R0.2 C(CCBr)CO TS39737 [0,0,1,0,0,0|1,1,0]=3 416 B5R0.2 C(CCCl)CCl TS36204 [0,0,1,0,0,0|2,0,0]=3 417 B5R0.2 C(CCCl)CO TS33155 [0,0,1,0,0,0|1,1,0]=3 418 B5R0.2 C(CCF)CF TS03666 [0,0,1,0,0,0|2,0,0]=3 419 B5R0.2 C(CCF)CO TS03655 [0,0,1,0,0,0|1,1,0]=3 420 B5R0.2 C(CCI)CCl TS49510 [0,0,1,0,0,0|2,0,0]=3 421 B5R0.2 C(CCI)CI TS76368 [0,0,1,0,0,0|2,0,0]=3 422 B5R0.2 C(CCO)CN TS03609 [0,0,1,0,0,0|1,1,0]=3 423 B5R0.2 C(CCO)CO TS00383 [0,0,1,0,0,0|1,1,0]=3 424 B5R0.2 C(CCS)CO TS04107 [0,0,1,0,0,0|1,0,0]=2 425 B5R0.2 C(CCS)CS TS04933 [0,0,1,0,0,0|1,0,0]=2 426 B5R0.2 C(CC[Zn+])CCl TS25983 [0,0,1,0,0,0|2,0,0]=3 427 B5R0.2 C(CCl)OCCl TS36384 [0,0,1,0,0,0|3,0,0]=4 428 B5R0.2 C(CO)NCO TS03642 [0,0,1,0,0,0|2,1,0]=4 429 B5R0.2 C(CON)CS TS93047 [0,0,1,0,0,0|2,0,0]=3 430 B5R0.2 C=CCCCBr TS71399 [0,0,1,0,0,0|1,0,2]=4 431 B5R0.2 C=CCCCCl TS04057 [0,0,1,0,0,0|1,0,2]=4 432 B5R0.2 C=CCCCN TS03513 [0,0,1,0,0,0|1,0,2]=4 433 B5R0.2 C=CCCCN TS04880 [0,0,1,0,0,0|1,0,2]=4 434 B5R0.2 C=CCCCO TS33172 [0,0,1,0,0,0|0,1,2]=4 435 B5R0.2 C=CCCC[Zn+] TS44589 [0,0,1,0,0,0|1,0,2]=4 436 B5R0.2 CC=CCCO TS71749 [0,0,1,0,0,0|0,1,2]=4 437 B5R0.2 CCC#CCC TS71689 [0,0,1,0,0,0|1,0,2]=4 438 B5R0.2 CCC#CCCl TS31620 [0,0,1,0,0,0|1,0,2]=4 439 B5R0.2 CCC#CCO TS65626 [0,0,1,0,0,0|0,1,2]=4 440 B5R0.2 CCCC#CC TS71682 [0,0,1,0,0,0|1,0,2]=4 441 B5R0.2 CCCC#CI TS51737 [0,0,1,0,0,0|1,0,2]=4 442 B5R0.2 CCCC=NO TS03560 [0,0,1,0,0,0|1,1,1]=4 443 B5R0.2 CCCCC#C TS71687 [0,0,1,0,0,0|1,0,1]=3 444 B5R0.2 CCCCC#N TS71704 [0,0,1,0,0,0|1,0,1]=3 445 B5R0.2 CCCCC=C TS71713 [0,0,1,0,0,0|1,0,1]=3 446 B5R0.2 CCCCC=O TS71764 [0,0,1,0,0,0|0,1,1]=3 447 B5R0.2 CCCCCBr TS00039 [0,0,1,0,0,0|1,0,0]=2 448 B5R0.2 CCCCCCl TS31742 [0,0,1,0,0,0|1,0,0]=2 449 B5R0.2 CCCCCF TS71848 [0,0,1,0,0,0|1,0,0]=2 450 B5R0.2 CCCCCI TS18547 [0,0,1,0,0,0|1,0,0]=2 451 B5R0.2 CCCCCN TS71782 [0,0,1,0,0,0|1,0,0]=2 452 B5R0.2 CCCCCO TS46186 [0,0,1,0,0,0|0,1,0]=2 453 B5R0.2 CCCCCO TS71798 [0,0,1,0,0,0|0,1,0]=2 454 B5R0.2 CCCCCS TS31699 [0,0,1,0,0,0|0,0,0]=1 455 B5R0.2 CCCCC[Si] TS03986 [0,0,1,0,0,0|1,0,0]=2 456 B5R0.2 CCCCC[Zn+] TS49168 [0,0,1,0,0,0|1,0,0]=2 457 B5R0.2 CCCCNC TS71774 [0,0,1,0,0,0|2,0,0]=3 458 B5R0.2 CCCCNN TS14187 [0,0,1,0,0,0|2,0,0]=3 459 B5R0.2 CCCCNN TS36035 [0,0,1,0,0,0|2,0,0]=3 460 B5R0.2 CCCCON TS36085 [0,0,1,0,0,0|2,0,0]=3 461 B5R0.2 CCCCON TS93805 [0,0,1,0,0,0|2,0,0]=3 462 B5R0.2 CCCCSC TS31691 [0,0,1,0,0,0|2,0,0]=3 463 B5R0.2 CCCC[Mg]Br TS11455 [0,0,1,0,0,0|2,0,0]=3 464 B5R0.2 CCCC[Mg]Cl TS32260 [0,0,1,0,0,0|2,0,0]=3 465 B5R0.2 CCCC[N+]#[C-] TS71702 [0,0,1,0,0,0|2,0,0]=3 466 B5R0.2 CCCC[Sn]=O TS17583 [0,0,1,0,0,0|1,1,0]=3 467 B5R0.2 CCCN=C=O TS03505 [0,0,1,0,0,0|1,1,1]=4 468 B5R0.2 CCCN=C=S TS03915 [0,0,1,0,0,0|1,0,2]=4 469 B5R0.2 CCCNCC TS71783 [0,0,1,0,0,0|2,0,0]=3 470 B5R0.2 CCCOC=C TS29507 [0,0,1,0,0,0|2,0,1]=4 471 B5R0.2 CCCOC=O TS03584 [0,0,1,0,0,0|1,1,1]=4 472 B5R0.2 CCCOCC TS71799 [0,0,1,0,0,0|2,0,0]=3 473 B5R0.2 CCCOCCl TS04165 [0,0,1,0,0,0|2,0,0]=3 474 B5R0.2 CCCON=O TS71824 [0,0,1,0,0,0|2,1,0]=4 475 B5R0.2 CCCSC#N TS03911 [0,0,1,0,0,0|2,0,1]=4 476 B5R0.2 CCCSCC TS31700 [0,0,1,0,0,0|2,0,0]=3 477 B5R0.2 CCCSSC TS04934 [0,0,1,0,0,0|3,0,0]=4 478 B5R0.2 CCN=NCC TS03539 [0,0,1,0,0,0|3,0,0]=4 479 B5R0.2 CCNCCN TS71809 [0,0,1,0,0,0|2,0,0]=3 480 B5R0.2 CCNCCO TS00085 [0,0,1,0,0,0|1,1,0]=3 481 B5R0.2 CCNNCC TS11360 [0,0,1,0,0,0|3,0,0]=4 482 B5R0.2 CCNNCC TS71806 [0,0,1,0,0,0|3,0,0]=4 483 B5R0.2 CCOCC=C TS71744 [0,0,1,0,0,0|2,0,1]=4 484 B5R0.2 CCOCCBr TS10269 [0,0,1,0,0,0|2,0,0]=3 485 B5R0.2 CCOCCCl TS04162 [0,0,1,0,0,0|2,0,0]=3 486 B5R0.2 CCOCCO TS71837 [0,0,1,0,0,0|1,1,0]=3 487 B5R0.2 CCSCC=C TS03981 [0,0,1,0,0,0|2,0,1]=4 488 B5R0.2 CCSCCBr TS44968 [0,0,1,0,0,0|2,0,0]=3 489 B5R0.2 CCSCCCl TS36036 [0,0,1,0,0,0|2,0,0]=3 490 B5R0.2 CCSCCN TS31712 [0,0,1,0,0,0|2,0,0]=3 491 B5R0.2 CCSCCN TS37539 [0,0,1,0,0,0|2,0,0]=3 492 B5R0.2 CCSCCO TS59769 [0,0,1,0,0,0|1,1,0]=3 493 B5R0.2 CCSSCC TS59782 [0,0,1,0,0,0|3,0,0]=4 494 B5R0.2 CC[Se][Se]CC TS44786 [0,0,1,0,0,0|3,0,0]=4 495 B5R0.2 CNCCC#N TS03502 [0,0,1,0,0,0|2,0,1]=4 496 B5R0.2 CNCCCCl TS40140 [0,0,1,0,0,0|2,0,0]=3 497 B5R0.2 CNCCCN TS71808 [0,0,1,0,0,0|2,0,0]=3 498 B5R0.2 CNCCNC TS56355 [0,0,1,0,0,0|3,0,0]=4 499 B5R0.2 CNCCOC TS03607 [0,0,1,0,0,0|3,0,0]=4 500 B5R0.2 COCCC#N TS46471 [0,0,1,0,0,0|2,0,1]=4 501 B5R0.2 COCCCBr TS10272 [0,0,1,0,0,0|2,0,0]=3 502 B5R0.2 COCCCCl TS04163 [0,0,1,0,0,0|2,0,0]=3 503 B5R0.2 COCCCN TS03603 [0,0,1,0,0,0|2,0,0]=3 504 B5R0.2 COCCCO TS70643 [0,0,1,0,0,0|1,1,0]=3 505 B5R0.2 COCCOC TS07877 [0,0,1,0,0,0|3,0,0]=4 506 B5R0.2 COCC[Hg]Cl TS58532 [0,0,1,0,0,0|3,0,0]=4 507 B5R0.2 CSCCCN TS65714 [0,0,1,0,0,0|2,0,0]=3 508 B5R0.2 CSCCCO TS04105 [0,0,1,0,0,0|1,1,0]=3 509 B5R0.2 C[SiH2]CC[SiH2]C TS04760 [0,0,1,0,0,0|1,2,0]=4 510 B5R0.3 C(C(CBr)Br)Br TS54387 [0,0,1,0,0,0|3,0,0]=4 511 B5R0.3 C(C(CBr)Br)Cl TS25944 [0,0,1,0,0,0|3,0,0]=4 512 B5R0.3 C(C(CBr)Br)O TS22312 [0,0,1,0,0,0|3,0,0]=4 513 B5R0.3 C(C(CBr)O)Br TS22311 [0,0,1,0,0,0|2,1,0]=4 514 B5R0.3 C(C(CBr)O)F TS10809 [0,0,1,0,0,0|2,1,0]=4 515 B5R0.3 C(C(CBr)O)O TS10534 [0,0,1,0,0,0|2,1,0]=4 516 B5R0.3 C(C(CCl)Cl)Cl TS07383 [0,0,1,0,0,0|3,0,0]=4 517 B5R0.3 C(C(CCl)Cl)O TS36383 [0,0,1,0,0,0|3,0,0]=4 518 B5R0.3 C(C(CCl)O)Cl TS07880 [0,0,1,0,0,0|2,1,0]=4 519 B5R0.3 C(C(CCl)O)F TS31988 [0,0,1,0,0,0|2,1,0]=4 520 B5R0.3 C(C(CCl)O)O TS08669 [0,0,1,0,0,0|2,1,0]=4 521 B5R0.3 C(C(CF)Cl)F TS32129 [0,0,1,0,0,0|3,0,0]=4 522 B5R0.3 C(C(CF)O)F TS03710 [0,0,1,0,0,0|2,1,0]=4 523 B5R0.3 C(C(CN)O)N TS46792 [0,0,1,0,0,0|2,1,0]=4 524 B5R0.3 C(C(CO)N)O TS65262 [0,0,1,0,0,0|3,0,0]=4 525 B5R0.3 C(C(CO)N)O TS65263 [0,0,1,0,0,0|3,0,0]=4 526 B5R0.3 C(C(CO)N)O TS74211 [0,0,1,0,0,0|3,0,0]=4 527 B5R0.3 C(C(CO)O)N TS39698 [0,0,1,0,0,0|2,1,0]=4 528 B5R0.3 C(C(CO)O)O TS03653 [0,0,1,0,0,0|2,1,0]=4 529 B5R0.3 C(C(CO)O)O TS64624 [0,0,1,0,0,0|2,1,0]=4 530 B5R0.3 C(C(CO)O)O TS93602 [0,0,1,0,0,0|2,1,0]=4 531 B5R0.3 C(C(CS)O)O TS31781 [0,0,1,0,0,0|2,1,0]=4 532 B5R0.3 C(C(CS)S)O TS47162 [0,0,1,0,0,0|2,0,0]=3 533 B5R0.3 C([C@@H](CBr)O)O TS10532 [0,0,1,0,0,0|2,1,0]=4 534 B5R0.3 C([C@@H](CCl)O)N TS93716 [0,0,1,0,0,0|2,1,0]=4 535 B5R0.3 C([C@@H](CCl)O)O TS59492 [0,0,1,0,0,0|2,1,0]=4 536 B5R0.3 C([C@@H](CO)O)N TS05290 [0,0,1,0,0,0|2,1,0]=4 537 B5R0.3 C([C@@H](CO)O)N TS08134 [0,0,1,0,0,0|2,1,0]=4 538 B5R0.3 C([C@H](CBr)O)O TS10533 [0,0,1,0,0,0|2,1,0]=4 539 B5R0.3 C([C@H](CO)O)N TS08079 [0,0,1,0,0,0|2,1,0]=4 540 B5R0.3 CC(CCl)CBr TS00026 [0,0,1,0,0,0|3,0,0]=4 541 B5R0.3 CC(CO)CO TS71833 [0,0,1,0,0,0|3,0,0]=4 542 B5R0.3 CC(OC)OC TS71840 [0,0,1,0,0,0|3,0,0]=4 543 B5R0.3 CC([Se]C)[Se]C TS44785 [0,0,1,0,0,0|3,0,0]=4 544 B5R0.3 CCC(=C)CC TS71714 [0,0,1,0,0,0|1,0,1]=3 545 B5R0.3 CCC(=O)CBr TS00020 [0,0,1,0,0,0|1,1,1]=4 546 B5R0.3 CCC(=O)CC TS00240 [0,0,1,0,0,0|0,1,1]=3 547 B5R0.3 CCC(=O)CCl TS31736 [0,0,1,0,0,0|1,1,1]=4 548 B5R0.3 CCC(=O)CO TS05538 [0,0,1,0,0,0|1,1,1]=4 549 B5R0.3 CCC(=O)NC TS03562 [0,0,1,0,0,0|1,1,1]=4 550 B5R0.3 CCC(=O)OC TS03587 [0,0,1,0,0,0|1,1,1]=4 551 B5R0.3 CCC(=S)OC TS31680 [0,0,1,0,0,0|1,0,2]=4 552 B5R0.3 CCC(C#C)O TS03494 [0,0,1,0,0,0|0,1,2]=4 553 B5R0.3 CCC(C#N)O TS03503 [0,0,1,0,0,0|1,1,1]=4 554 B5R0.3 CCC(C)C#C TS03468 [0,0,1,0,0,0|1,0,2]=4 555 B5R0.3 CCC(C)C=O TS03536 [0,0,1,0,0,0|2,0,1]=4 556 B5R0.3 CCC(C)CBr TS09987 [0,0,1,0,0,0|2,0,0]=3 557 B5R0.3 CCC(C)CC TS03546 [0,0,1,0,0,0|1,0,0]=2 558 B5R0.3 CCC(C)CCl TS31746 [0,0,1,0,0,0|2,0,0]=3 559 B5R0.3 CCC(C)CI TS18546 [0,0,1,0,0,0|2,0,0]=3 560 B5R0.3 CCC(C)CN TS71788 [0,0,1,0,0,0|2,0,0]=3 561 B5R0.3 CCC(C)CO TS03593 [0,0,1,0,0,0|2,0,0]=3 562 B5R0.3 CCC(C)CS TS31698 [0,0,1,0,0,0|2,0,0]=3 563 B5R0.3 CCC(C)NC TS04995 [0,0,1,0,0,0|2,0,0]=3 564 B5R0.3 CCC(C)NC TS71785 [0,0,1,0,0,0|2,0,0]=3 565 B5R0.3 CCC(C)OC TS71803 [0,0,1,0,0,0|2,0,0]=3 566 B5R0.3 CCC(C)ON TS36089 [0,0,1,0,0,0|3,0,0]=4 567 B5R0.3 CCC(C)SC TS31697 [0,0,1,0,0,0|2,0,0]=3 568 B5R0.3 CCC(C)[Mg]Br TS11456 [0,0,1,0,0,0|3,0,0]=4 569 B5R0.3 CCC(C)[Mg]Cl TS32262 [0,0,1,0,0,0|3,0,0]=4 570 B5R0.3 CCC(C=C)O TS71760 [0,0,1,0,0,0|0,1,2]=4 571 B5R0.3 CCC(CBr)Br TS21966 [0,0,1,0,0,0|2,0,0]=3 572 B5R0.3 CCC(CBr)Cl TS13062 [0,0,1,0,0,0|2,0,0]=3 573 B5R0.3 CCC(CBr)O TS10270 [0,0,1,0,0,0|1,1,0]=3 574 B5R0.3 CCC(CC)Br TS09988 [0,0,1,0,0,0|1,0,0]=2 575 B5R0.3 CCC(CC)Cl TS31745 [0,0,1,0,0,0|1,0,0]=2 576 B5R0.3 CCC(CC)F TS71849 [0,0,1,0,0,0|1,0,0]=2 577 B5R0.3 CCC(CC)I TS18549 [0,0,1,0,0,0|1,0,0]=2 578 B5R0.3 CCC(CC)N TS00440 [0,0,1,0,0,0|1,0,0]=2 579 B5R0.3 CCC(CC)O TS00239 [0,0,1,0,0,0|0,1,0]=2 580 B5R0.3 CCC(CC)[Zn+] TS49169 [0,0,1,0,0,0|1,0,0]=2 581 B5R0.3 CCC(CCl)Cl TS36203 [0,0,1,0,0,0|2,0,0]=3 582 B5R0.3 CCC(CN)N TS71807 [0,0,1,0,0,0|2,0,0]=3 583 B5R0.3 CCC(CN)O TS03604 [0,0,1,0,0,0|1,1,0]=3 584 B5R0.3 CCC(CO)N TS03601 [0,0,1,0,0,0|2,0,0]=3 585 B5R0.3 CCC(CS)S TS04932 [0,0,1,0,0,0|1,0,0]=2 586 B5R0.3 CCN(C)CC TS71781 [0,0,1,0,0,0|2,0,0]=3 587 B5R0.3 CCN(CC)O TS03599 [0,0,1,0,0,0|1,1,0]=3 588 B5R0.3 CCP(CC)Cl TS36025 [0,0,1,0,0,0|2,0,0]=3 589 B5R0.3 CCS(=O)CC TS04104 [0,0,1,0,0,0|1,1,0]=3 590 B5R0.3 CC[Al](CC)Cl TS27650 [0,0,1,0,0,0|2,0,0]=3 591 B5R0.3 CC[C@@H](CO)O TS71836 [0,0,1,0,0,0|1,1,0]=3 592 B5R0.3 CC[C@H](C)C#N TS71705 [0,0,1,0,0,0|2,0,1]=4 593 B5R0.3 CC[C@H](C)CBr TS39655 [0,0,1,0,0,0|2,0,0]=3 594 B5R0.3 CC[C@H](C)CCl TS31744 [0,0,1,0,0,0|2,0,0]=3 595 B5R0.3 CC[C@H](CO)N TS03605 [0,0,1,0,0,0|2,0,0]=3 596 B5R0.3 CC[C@H](CO)O TS71838 [0,0,1,0,0,0|1,1,0]=3 597 B5R0.3 CC[SiH](C)CC TS03988 [0,0,1,0,0,0|1,1,0]=3 598 B5R0.3 CC[Sn](=O)CC TS17584 [0,0,1,0,0,0|1,1,0]=3 599 B5R0.3 C[C@@H](CO)CBr TS10268 [0,0,1,0,0,0|3,0,0]=4 600 B5R0.3 C[C@H](CO)CBr TS10271 [0,0,1,0,0,0|3,0,0]=4 601 B7R2.13 C1C2C(O2)CO1 TS65746 [0,0,0,1,0,0|1,1,0]=3 602 B7R2.13 C1C2C1CNC2 TS86763 [0,0,0,1,0,0|2,0,0]=3 603 B7R2.13 C1CC2C(C1)O2 TS55825 [0,0,0,1,0,0|0,1,0]=2 604 B7R2.13 C1CNC2C1C2 TS90381 [0,0,0,1,0,0|2,0,0]=3 605 B5R1.2 C1C(=O)CN1 TS03373 [0,0,0,0,1,0|1,1,1]=4 606 B5R1.2 C1C(=O)CN1 TS46446 [0,0,0,0,1,0|1,1,1]=4 607 B5R1.2 C1C(=O)CO1 TS70694 [0,0,0,0,1,0|1,1,1]=4 608 B5R1.2 C1C(=O)CS1 TS90454 [0,0,0,0,1,0|1,1,1]=4 609 B5R1.2 C1C(CN1)N TS88575 [0,0,0,0,1,0|2,0,0]=3 610 B5R1.2 C1C(CN1)N TS92985 [0,0,0,0,1,0|2,0,0]=3 611 B5R1.2 C1C(CN1)O TS00225 [0,0,0,0,1,0|1,1,0]=3 612 B5R1.2 C1C(CN1)O TS65705 [0,0,0,0,1,0|1,1,0]=3 613 B5R1.2 C1C(CN1)S TS87598 [0,0,0,0,1,0|1,0,0]=2 614 B5R1.2 C1C(CO1)Br TS65955 [0,0,0,0,1,0|2,0,0]=3 615 B5R1.2 C1C(CO1)Cl TS91374 [0,0,0,0,1,0|2,0,0]=3 616 B5R1.2 C1C(CO1)I TS70631 [0,0,0,0,1,0|2,0,0]=3 617 B5R1.2 C1C(CO1)N TS90822 [0,0,0,0,1,0|2,0,0]=3 618 B5R1.2 C1C(CO1)O TS02791 [0,0,0,0,1,0|1,1,0]=3 619 B5R1.2 C1C(CO1)S TS90997 [0,0,0,0,1,0|1,0,0]=2 620 B5R1.2 C1C(CS1)N TS85859 [0,0,0,0,1,0|2,0,0]=3 621 B5R1.2 C1CC(=O)C1 TS01399 [0,0,0,0,1,0|0,1,1]=3 622 B5R1.2 C1CC(C1)Br TS36910 [0,0,0,0,1,0|1,0,0]=2 623 B5R1.2 C1CC(C1)Cl TS03632 [0,0,0,0,1,0|1,0,0]=2 624 B5R1.2 C1CC(C1)N TS03375 [0,0,0,0,1,0|1,0,0]=2 625 B5R1.2 C1CC(C1)N TS04122 [0,0,0,0,1,0|1,0,0]=2 626 B5R1.2 C1CC(C1)O TS59758 [0,0,0,0,1,0|0,1,0]=2 627 B5R1.2 C1CNC1=O TS55052 [0,0,0,0,1,0|1,1,1]=4 628 B5R1.2 C1COC1=O TS71591 [0,0,0,0,1,0|1,1,1]=4 629 B5R1.2 CC1CCN1 TS71588 [0,0,0,0,1,0|2,0,0]=3 630 B7R1.3 B1(OCCCO1)[O-] TS27073 [0,0,0,0,0,1|2,1,0]=4 631 B7R1.3 B=[O+2]1CCSCC1 TS32312 [0,0,0,0,0,1|2,0,0]=3 632 B7R1.3 C1C(COCO1)O TS31668 [0,0,0,0,0,1|1,1,0]=3 633 B7R1.3 C1CC(=O)CNC1 TS02886 [0,0,0,0,0,1|0,1,1]=3 634 B7R1.3 C1CC(=O)CNC1 TS59353 [0,0,0,0,0,1|0,1,1]=3 635 B7R1.3 C1CC(=O)COC1 TS22954 [0,0,0,0,0,1|0,1,1]=3 636 B7R1.3 C1CC(=O)COC1 TS89862 [0,0,0,0,0,1|0,1,1]=3 637 B7R1.3 C1CC(=O)CSC1 TS90226 [0,0,0,0,0,1|0,1,1]=3 638 B7R1.3 C1CC(CC=C1)Br TS11358 [0,0,0,0,0,1|1,0,1]=3 639 B7R1.3 C1CC(CC=C1)Cl TS04655 [0,0,0,0,0,1|1,0,1]=3 640 B7R1.3 C1CC(CC=C1)O TS31422 [0,0,0,0,0,1|0,1,1]=3 641 B7R1.3 C1CC(CNC1)Br TS09491 [0,0,0,0,0,1|1,0,0]=2 642 B7R1.3 C1CC(CNC1)Br TS42661 [0,0,0,0,0,1|1,0,0]=2 643 B7R1.3 C1CC(CNC1)Cl TS41570 [0,0,0,0,0,1|1,0,0]=2 644 B7R1.3 C1CC(CNC1)F TS37316 [0,0,0,0,0,1|1,0,0]=2 645 B7R1.3 C1CC(CNC1)N TS02666 [0,0,0,0,0,1|1,0,0]=2 646 B7R1.3 C1CC(CNC1)O TS02796 [0,0,0,0,0,1|0,1,0]=2 647 B7R1.3 C1CC(CNC1)O TS16254 [0,0,0,0,0,1|0,1,0]=2 648 B7R1.3 C1CC(CNC1)O TS28091 [0,0,0,0,0,1|0,1,0]=2 649 B7R1.3 C1CC(CNC1)S TS91720 [0,0,0,0,0,1|0,0,0]=1 650 B7R1.3 C1CC(COC1)Br TS42847 [0,0,0,0,0,1|1,0,0]=2 651 B7R1.3 C1CC(COC1)I TS44102 [0,0,0,0,0,1|1,0,0]=2 652 B7R1.3 C1CC(COC1)N TS39962 [0,0,0,0,0,1|1,0,0]=2 653 B7R1.3 C1CC(COC1)N TS90719 [0,0,0,0,0,1|1,0,0]=2 654 B7R1.3 C1CC(COC1)O TS59831 [0,0,0,0,0,1|0,1,0]=2 655 B7R1.3 C1CC=CC(=O)C1 TS39840 [0,0,0,0,0,1|0,1,2]=4 656 B7R1.3 C1CC=CC(C1)Br TS11359 [0,0,0,0,0,1|1,0,1]=3 657 B7R1.3 C1CC=CC(C1)Cl TS04653 [0,0,0,0,0,1|1,0,1]=3 658 B7R1.3 C1CC=CC(C1)O TS59964 [0,0,0,0,0,1|0,1,1]=3 659 B7R1.3 C1CCC(=CC1)Cl TS04654 [0,0,0,0,0,1|1,0,1]=3 660 B7R1.3 C1CCC(=O)CC1 TS31441 [0,0,0,0,0,1|0,1,1]=3 661 B7R1.3 C1CCC(CC1)Br TS33231 [0,0,0,0,0,1|1,0,0]=2 662 B7R1.3 C1CCC(CC1)Cl TS39830 [0,0,0,0,0,1|1,0,0]=2 663 B7R1.3 C1CCC(CC1)F TS31606 [0,0,0,0,0,1|1,0,0]=2 664 B7R1.3 C1CCC(CC1)I TS43723 [0,0,0,0,0,1|1,0,0]=2 665 B7R1.3 C1CCC(CC1)N TS03833 [0,0,0,0,0,1|1,0,0]=2 666 B7R1.3 C1CCC(CC1)N TS06026 [0,0,0,0,0,1|1,0,0]=2 667 B7R1.3 C1CCC(CC1)N TS14508 [0,0,0,0,0,1|1,0,0]=2 668 B7R1.3 C1CCC(CC1)N TS18426 [0,0,0,0,0,1|1,0,0]=2 669 B7R1.3 C1CCC(CC1)O TS31506 [0,0,0,0,0,1|0,1,0]=2 670 B7R1.3 C1CCC(CC1)P TS04576 [0,0,0,0,0,1|1,0,0]=2 671 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [0,0,0,0,0,1|1,0,0]=2 672 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [0,0,0,0,0,1|1,0,0]=2 673 B7R1.3 C1CCN(CC1)N TS03873 [0,0,0,0,0,1|2,0,0]=3 674 B7R1.3 C1CCN(CC1)N TS06144 [0,0,0,0,0,1|2,0,0]=3 675 B7R1.3 C1CCN(CC1)O TS31559 [0,0,0,0,0,1|1,1,0]=3 676 B7R1.3 C1CCNC(=N)C1 TS05957 [0,0,0,0,0,1|1,0,1]=3 677 B7R1.3 C1CCNC(=O)C1 TS01420 [0,0,0,0,0,1|0,1,1]=3 678 B7R1.3 C1CCNC(C1)Br TS42662 [0,0,0,0,0,1|1,0,0]=2 679 B7R1.3 C1CCNC(C1)Cl TS04802 [0,0,0,0,0,1|1,0,0]=2 680 B7R1.3 C1CCNC(C1)N TS03877 [0,0,0,0,0,1|1,0,0]=2 681 B7R1.3 C1CCNC(C1)O TS03900 [0,0,0,0,0,1|0,1,0]=2 682 B7R1.3 C1CCOC(=O)C1 TS01892 [0,0,0,0,0,1|0,1,1]=3 683 B7R1.3 C1CCOC(C1)O TS31590 [0,0,0,0,0,1|0,1,0]=2 684 B7R1.3 C1CN(CCN1)N TS03908 [0,0,0,0,0,1|2,0,0]=3 685 B7R1.3 C1CNC(=NC1)S TS04615 [0,0,0,0,0,1|1,0,1]=3 686 B7R1.3 C1CNC(=O)CN1 TS59349 [0,0,0,0,0,1|1,1,1]=4 687 B7R1.3 C1CNC(=O)NC1 TS59429 [0,0,0,0,0,1|1,1,1]=4 688 B7R1.3 C1CNCCC1=O TS02248 [0,0,0,0,0,1|0,1,1]=3 689 B7R1.3 C1CNCCC1=O TS71284 [0,0,0,0,0,1|0,1,1]=3 690 B7R1.3 C1CNCCC1Br TS71009 [0,0,0,0,0,1|1,0,0]=2 691 B7R1.3 C1CNCCC1Cl TS09688 [0,0,0,0,0,1|1,0,0]=2 692 B7R1.3 C1CNCCC1F TS03995 [0,0,0,0,0,1|1,0,0]=2 693 B7R1.3 C1CNCCC1F TS09127 [0,0,0,0,0,1|1,0,0]=2 694 B7R1.3 C1CNCCC1N TS08873 [0,0,0,0,0,1|1,0,0]=2 695 B7R1.3 C1CNCCC1N TS70915 [0,0,0,0,0,1|1,0,0]=2 696 B7R1.3 C1CNCCC1O TS37141 [0,0,0,0,0,1|0,1,0]=2 697 B7R1.3 C1CNCCC1O TS71282 [0,0,0,0,0,1|0,1,0]=2 698 B7R1.3 C1CNCCC1S TS89665 [0,0,0,0,0,1|0,0,0]=1 699 B7R1.3 C1COC(=O)CO1 TS31576 [0,0,0,0,0,1|1,1,1]=4 700 B7R1.3 C1COC(=O)OC1 TS31584 [0,0,0,0,0,1|1,1,1]=4 701 B7R1.3 C1COCC(=O)N1 TS01573 [0,0,0,0,0,1|1,1,1]=4 702 B7R1.3 C1COCCC1=O TS59431 [0,0,0,0,0,1|0,1,1]=3 703 B7R1.3 C1COCCC1Br TS09616 [0,0,0,0,0,1|1,0,0]=2 704 B7R1.3 C1COCCC1Cl TS32447 [0,0,0,0,0,1|1,0,0]=2 705 B7R1.3 C1COCCC1I TS09723 [0,0,0,0,0,1|1,0,0]=2 706 B7R1.3 C1COCCC1N TS11397 [0,0,0,0,0,1|1,0,0]=2 707 B7R1.3 C1COCCC1N TS70925 [0,0,0,0,0,1|1,0,0]=2 708 B7R1.3 C1COCCC1N TS70926 [0,0,0,0,0,1|1,0,0]=2 709 B7R1.3 C1COCCC1O TS59433 [0,0,0,0,0,1|0,1,0]=2 710 B7R1.3 C1COCCC1O TS85905 [0,0,0,0,0,1|0,1,0]=2 711 B7R1.3 C1COCCN1N TS31603 [0,0,0,0,0,1|2,0,0]=3 712 B7R1.3 C1COCCN1N TS37255 [0,0,0,0,0,1|2,0,0]=3 713 B7R1.3 C1COS(=O)OC1 TS85276 [0,0,0,0,0,1|2,1,0]=4 714 B7R1.3 C1CSCCC1=O TS59432 [0,0,0,0,0,1|0,1,1]=3 715 B7R1.3 C1CSCCC1N TS59442 [0,0,0,0,0,1|1,0,0]=2 716 B7R1.3 C1CSCCC1O TS59441 [0,0,0,0,0,1|0,1,0]=2 717 B7R1.3 C1C[C@@H](CNC1)F TS89045 [0,0,0,0,0,1|1,0,0]=2 718 B7R1.3 C1C[C@@H](CNC1)N TS03872 [0,0,0,0,0,1|1,0,0]=2 719 B7R1.3 C1C[C@@H](CNC1)O TS46664 [0,0,0,0,0,1|0,1,0]=2 720 B7R1.3 C1C[C@H](CNC1)F TS92720 [0,0,0,0,0,1|1,0,0]=2 721 B7R1.3 C1C[C@H](CNC1)N TS93699 [0,0,0,0,0,1|1,0,0]=2 722 B7R1.3 C1C[C@H](CNC1)O TS88232 [0,0,0,0,0,1|0,1,0]=2 723 B7R1.3 C1C[C@H](CNC1)O TS89282 [0,0,0,0,0,1|0,1,0]=2 724 B7R1.3 CC1CCCCC1 TS02317 [0,0,0,0,0,1|1,0,0]=2 725 B7R1.3 CC1CCCCO1 TS31512 [0,0,0,0,0,1|1,0,0]=2 726 B7R1.3 CC1CCCNC1 TS70672 [0,0,0,0,0,1|1,0,0]=2 727 B7R1.3 CC1CCNCC1 TS03831 [0,0,0,0,0,1|1,0,0]=2 728 B7R1.3 CC1CCOCO1 TS03947 [0,0,0,0,0,1|2,0,0]=3 729 B7R1.3 CC1CNCCO1 TS02170 [0,0,0,0,0,1|2,0,0]=3 730 B7R1.3 CC1SCCCS1 TS16705 [0,0,0,0,0,1|2,0,0]=3 731 B7R1.3 CN1CCCCC1 TS03834 [0,0,0,0,0,1|2,0,0]=3 732 B7R1.3 CN1CCNCC1 TS00495 [0,0,0,0,0,1|2,0,0]=3 733 B7R1.3 CN1CCNCC1 TS45581 [0,0,0,0,0,1|2,0,0]=3 734 B7R1.3 CN1CCOCC1 TS37142 [0,0,0,0,0,1|2,0,0]=3 735 B7R1.3 CN1CCOCC1 TS39917 [0,0,0,0,0,1|2,0,0]=3 736 B7R1.3 C[C@@H]1CCCCN1 TS03835 [0,0,0,0,0,1|1,0,0]=2 737 B7R1.3 C[C@@H]1CNCCN1 TS08073 [0,0,0,0,0,1|2,0,0]=3 738 B7R1.3 C[C@@H]1CNCCO1 TS03899 [0,0,0,0,0,1|2,0,0]=3 739 B7R1.3 C[C@@H]1CNCCO1 TS08072 [0,0,0,0,0,1|2,0,0]=3 740 B7R1.3 C[C@@H]1COCCN1 TS01972 [0,0,0,0,0,1|2,0,0]=3 741 B7R1.3 C[C@H]1CNCCN1 TS06145 [0,0,0,0,0,1|2,0,0]=3 742 B7R1.3 C[C@H]1CNCCN1 TS22969 [0,0,0,0,0,1|2,0,0]=3 743 B7R1.3 C[C@H]1CNCCN1 TS45580 [0,0,0,0,0,1|2,0,0]=3 744 B7R1.3 C[C@H]1CNCCO1 TS89643 [0,0,0,0,0,1|2,0,0]=3 745 B7R1.3 C[C@H]1COCCN1 TS46666 [0,0,0,0,0,1|2,0,0]=3 746 B4R0.1 CC(C)CBr TS59896 [1,0,1,0,0,0|2,0,0]=4 747 B4R0.1 CC(C)CCl TS00045 [1,0,1,0,0,0|2,0,0]=4 748 B4R0.1 CC(C)CI TS48514 [1,0,1,0,0,0|2,0,0]=4 749 B4R0.1 CC(C)CN TS01504 [1,0,1,0,0,0|2,0,0]=4 750 B4R0.1 CC(C)CN TS04173 [1,0,1,0,0,0|2,0,0]=4 751 B4R0.1 CC(C)CO TS03402 [1,0,1,0,0,0|2,0,0]=4 752 B4R0.1 CC(C)CS TS02444 [1,0,1,0,0,0|2,0,0]=4 753 B4R0.1 CC(C)C[Al+2] TS10535 [1,0,1,0,0,0|2,0,0]=4 754 B4R0.1 CC(C)C[Zn+] TS19475 [1,0,1,0,0,0|2,0,0]=4 755 B4R0.1 CC(C)NC TS56405 [1,0,1,0,0,0|2,0,0]=4 756 B4R0.1 CC(C)SC TS71855 [1,0,1,0,0,0|2,0,0]=4 757 B4R0.1 CC(CBr)Cl TS41830 [1,0,1,0,0,0|2,0,0]=4 758 B4R0.1 CC(CBr)O TS06336 [1,0,1,0,0,0|1,1,0]=4 759 B4R0.1 CC(CCl)Cl TS31995 [1,0,1,0,0,0|2,0,0]=4 760 B4R0.1 CC(CCl)O TS03686 [1,0,1,0,0,0|1,1,0]=4 761 B4R0.1 CC(CF)O TS03431 [1,0,1,0,0,0|1,1,0]=4 762 B4R0.1 CC(CN)N TS16685 [1,0,1,0,0,0|2,0,0]=4 763 B4R0.1 CC(CN)O TS71630 [1,0,1,0,0,0|1,1,0]=4 764 B4R0.1 CC(CO)F TS03432 [1,0,1,0,0,0|2,0,0]=4 765 B4R0.1 CC(CO)N TS04255 [1,0,1,0,0,0|2,0,0]=4 766 B4R0.1 CC(CO)O TS22730 [1,0,1,0,0,0|1,1,0]=4 767 B4R0.1 CC(CS)O TS71863 [1,0,1,0,0,0|1,1,0]=4 768 B4R0.1 CC(CS)S TS04156 [1,0,1,0,0,0|1,0,0]=3 769 B4R0.1 CC(C[NH3+])O TS45584 [1,0,1,0,0,0|1,1,0]=4 770 B4R0.1 CC(S)SC TS04152 [1,0,1,0,0,0|1,0,0]=3 771 B4R0.1 CCC(=C)C TS03363 [1,0,1,0,0,0|1,0,1]=4 772 B4R0.1 CCC(=O)C TS71608 [1,0,1,0,0,0|0,1,1]=4 773 B4R0.1 CCC(C)Br TS39654 [1,0,1,0,0,0|1,0,0]=3 774 B4R0.1 CCC(C)Cl TS71870 [1,0,1,0,0,0|1,0,0]=3 775 B4R0.1 CCC(C)I TS93849 [1,0,1,0,0,0|1,0,0]=3 776 B4R0.1 CCC(C)N TS03382 [1,0,1,0,0,0|1,0,0]=3 777 B4R0.1 CCC(C)O TS03403 [1,0,1,0,0,0|0,1,0]=3 778 B4R0.1 CCC(C)S TS71856 [1,0,1,0,0,0|0,0,0]=2 779 B4R0.1 CCC(C)[Zn+] TS19473 [1,0,1,0,0,0|1,0,0]=3 780 B4R0.1 CCN(C)C TS03385 [1,0,1,0,0,0|2,0,0]=4 781 B4R0.1 CC[C@@H](C)N TS04171 [1,0,1,0,0,0|1,0,0]=3 782 B4R0.1 CC[C@@H](C)O TS03406 [1,0,1,0,0,0|0,1,0]=3 783 B4R0.1 CC[C@H](C)O TS03405 [1,0,1,0,0,0|0,1,0]=3 784 B4R0.1 CC[SiH](C)C TS71815 [1,0,1,0,0,0|1,1,0]=4 785 B4R0.1 C[C@@H](CCl)O TS08924 [1,0,1,0,0,0|1,1,0]=4 786 B4R0.1 C[C@@H](CN)N TS45459 [1,0,1,0,0,0|2,0,0]=4 787 B4R0.1 C[C@@H](CN)N TS59565 [1,0,1,0,0,0|2,0,0]=4 788 B4R0.1 C[C@@H](CN)O TS71634 [1,0,1,0,0,0|1,1,0]=4 789 B4R0.1 C[C@@H](CO)Cl TS31359 [1,0,1,0,0,0|2,0,0]=4 790 B4R0.1 C[C@@H](CO)N TS55878 [1,0,1,0,0,0|2,0,0]=4 791 B4R0.1 C[C@@H](CO)O TS46640 [1,0,1,0,0,0|1,1,0]=4 792 B4R0.1 C[C@H](CCl)O TS46601 [1,0,1,0,0,0|1,1,0]=4 793 B4R0.1 C[C@H](CN)N TS31866 [1,0,1,0,0,0|2,0,0]=4 794 B4R0.1 C[C@H](CN)N TS45458 [1,0,1,0,0,0|2,0,0]=4 795 B4R0.1 C[C@H](CN)O TS71631 [1,0,1,0,0,0|1,1,0]=4 796 B4R0.1 C[C@H](CO)Cl TS03688 [1,0,1,0,0,0|2,0,0]=4 797 B4R0.1 C[C@H](CO)N TS01415 [1,0,1,0,0,0|2,0,0]=4 798 B4R0.1 C[C@H](CO)O TS59482 [1,0,1,0,0,0|1,1,0]=4 799 B4R0.2 C(CBr)CBr TS46797 [1,0,1,0,0,0|2,0,0]=4 800 B4R0.2 C(CBr)CI TS27842 [1,0,1,0,0,0|2,0,0]=4 801 B4R0.2 C(CCl)CBr TS46925 [1,0,1,0,0,0|2,0,0]=4 802 B4R0.2 C(CCl)CCl TS31994 [1,0,1,0,0,0|2,0,0]=4 803 B4R0.2 C(CF)CBr TS37464 [1,0,1,0,0,0|2,0,0]=4 804 B4R0.2 C(CF)CF TS71664 [1,0,1,0,0,0|2,0,0]=4 805 B4R0.2 C(CI)CI TS93960 [1,0,1,0,0,0|2,0,0]=4 806 B4R0.2 C(CN)CBr TS09494 [1,0,1,0,0,0|2,0,0]=4 807 B4R0.2 C(CN)CCl TS00183 [1,0,1,0,0,0|2,0,0]=4 808 B4R0.2 C(CN)CF TS04405 [1,0,1,0,0,0|2,0,0]=4 809 B4R0.2 C(CN)CN TS07879 [1,0,1,0,0,0|2,0,0]=4 810 B4R0.2 C(CN)CN TS34480 [1,0,1,0,0,0|2,0,0]=4 811 B4R0.2 C(CN)CN TS40489 [1,0,1,0,0,0|2,0,0]=4 812 B4R0.2 C(CN)CO TS04258 [1,0,1,0,0,0|1,1,0]=4 813 B4R0.2 C(CN)CO TS08858 [1,0,1,0,0,0|1,1,0]=4 814 B4R0.2 C(CO)CBr TS59604 [1,0,1,0,0,0|1,1,0]=4 815 B4R0.2 C(CO)CCl TS02021 [1,0,1,0,0,0|1,1,0]=4 816 B4R0.2 C(CO)CF TS00151 [1,0,1,0,0,0|1,1,0]=4 817 B4R0.2 C(CO)CI TS70633 [1,0,1,0,0,0|1,1,0]=4 818 B4R0.2 C(CO)CO TS00379 [1,0,1,0,0,0|1,1,0]=4 819 B4R0.2 C(CP)CP TS04129 [1,0,1,0,0,0|2,0,0]=4 820 B4R0.2 C(CS)C#N TS71771 [1,0,1,0,0,0|1,0,1]=4 821 B4R0.2 C(CS)CCl TS31868 [1,0,1,0,0,0|1,0,0]=3 822 B4R0.2 C(CS)CS TS04153 [1,0,1,0,0,0|1,0,0]=3 823 B4R0.2 CCC#CC TS03009 [1,0,1,0,0,0|0,0,2]=4 824 B4R0.2 CCC=CC TS03361 [1,0,1,0,0,0|0,0,2]=4 825 B4R0.2 CCC=NS TS31707 [1,0,1,0,0,0|1,0,1]=4 826 B4R0.2 CCCC#C TS70989 [1,0,1,0,0,0|0,0,2]=4 827 B4R0.2 CCCC#N TS03176 [1,0,1,0,0,0|1,0,1]=4 828 B4R0.2 CCCC=O TS71609 [1,0,1,0,0,0|0,1,1]=4 829 B4R0.2 CCCCBr TS37077 [1,0,1,0,0,0|1,0,0]=3 830 B4R0.2 CCCCBr TS93069 [1,0,1,0,0,0|1,0,0]=3 831 B4R0.2 CCCCC TS71613 [1,0,1,0,0,0|0,0,0]=2 832 B4R0.2 CCCCCl TS39594 [1,0,1,0,0,0|1,0,0]=3 833 B4R0.2 CCCCF TS71643 [1,0,1,0,0,0|1,0,0]=3 834 B4R0.2 CCCCI TS48513 [1,0,1,0,0,0|1,0,0]=3 835 B4R0.2 CCCCN TS03383 [1,0,1,0,0,0|1,0,0]=3 836 B4R0.2 CCCCN TS04172 [1,0,1,0,0,0|1,0,0]=3 837 B4R0.2 CCCCO TS03407 [1,0,1,0,0,0|0,1,0]=3 838 B4R0.2 CCCCS TS71854 [1,0,1,0,0,0|0,0,0]=2 839 B4R0.2 CCCC[O-] TS31364 [1,0,1,0,0,0|0,1,0]=3 840 B4R0.2 CCCC[O-] TS64270 [1,0,1,0,0,0|0,1,0]=3 841 B4R0.2 CCCC[O-] TS66591 [1,0,1,0,0,0|0,1,0]=3 842 B4R0.2 CCCC[O-] TS67287 [1,0,1,0,0,0|0,1,0]=3 843 B4R0.2 CCCC[O-] TS82799 [1,0,1,0,0,0|0,1,0]=3 844 B4R0.2 CCCC[O-] TS83727 [1,0,1,0,0,0|0,1,0]=3 845 B4R0.2 CCCC[S-] TS31943 [1,0,1,0,0,0|0,0,1]=3 846 B4R0.2 CCCC[Si] TS71817 [1,0,1,0,0,0|0,1,0]=3 847 B4R0.2 CCCC[Zn+] TS19474 [1,0,1,0,0,0|1,0,0]=3 848 B4R0.2 CCCNC TS03381 [1,0,1,0,0,0|1,0,0]=3 849 B4R0.2 CCCOC TS03404 [1,0,1,0,0,0|1,0,0]=3 850 B4R0.2 CCCO[NH3+] TS04256 [1,0,1,0,0,0|2,0,0]=4 851 B4R0.2 CCCSC TS71857 [1,0,1,0,0,0|1,0,0]=3 852 B4R0.2 CCC[Mg]Br TS07380 [1,0,1,0,0,0|2,0,0]=4 853 B4R0.2 CCC[Mg]Cl TS31623 [1,0,1,0,0,0|2,0,0]=4 854 B4R0.2 CCC[Zn]Br TS50817 [1,0,1,0,0,0|2,0,0]=4 855 B4R0.2 CCNCC TS03384 [1,0,1,0,0,0|1,0,0]=3 856 B4R0.2 CCNCC TS04169 [1,0,1,0,0,0|1,0,0]=3 857 B4R0.2 CCNCC TS05835 [1,0,1,0,0,0|1,0,0]=3 858 B4R0.2 CCNCC TS10368 [1,0,1,0,0,0|1,0,0]=3 859 B4R0.2 CCNCC TS12959 [1,0,1,0,0,0|1,0,0]=3 860 B4R0.2 CCOCC TS03401 [1,0,1,0,0,0|1,0,0]=3 861 B4R0.2 CCOCC TS42371 [1,0,1,0,0,0|1,0,0]=3 862 B4R0.2 CCOCC TS43884 [1,0,1,0,0,0|1,0,0]=3 863 B4R0.2 CCOCC TS68115 [1,0,1,0,0,0|1,0,0]=3 864 B4R0.2 CCOCC TS79120 [1,0,1,0,0,0|1,0,0]=3 865 B4R0.2 CCOCCl TS39832 [1,0,1,0,0,0|2,0,0]=4 866 B4R0.2 CCPCC TS71830 [1,0,1,0,0,0|1,0,0]=3 867 B4R0.2 CCSCC TS71853 [1,0,1,0,0,0|1,0,0]=3 868 B4R0.2 CCSSC TS04155 [1,0,1,0,0,0|2,0,0]=4 869 B4R0.2 CC[Al+]CC TS32445 [1,0,1,0,0,0|1,0,0]=3 870 B4R0.2 CC[Al+]CC TS36486 [1,0,1,0,0,0|1,0,0]=3 871 B4R0.2 CC[Cd]CC TS45221 [1,0,1,0,0,0|1,0,0]=3 872 B4R0.2 CC[Ga+]CC TS42641 [1,0,1,0,0,0|1,0,0]=3 873 B4R0.2 CC[GeH2]CC TS36741 [1,0,1,0,0,0|0,1,0]=3 874 B4R0.2 CC[Hg]CC TS68206 [1,0,1,0,0,0|1,0,0]=3 875 B4R0.2 CC[Mg]CC TS71690 [1,0,1,0,0,0|1,0,0]=3 876 B4R0.2 CC[N-]CC TS71656 [1,0,1,0,0,0|1,0,0]=3 877 B4R0.2 CC[Se]CC TS37078 [1,0,1,0,0,0|1,0,0]=3 878 B4R0.2 CC[SiH2]CC TS71816 [1,0,1,0,0,0|0,1,0]=3 879 B4R0.2 CC[Te]CC TS15549 [1,0,1,0,0,0|1,0,0]=3 880 B4R0.2 CC[Zn]CC TS04983 [1,0,1,0,0,0|1,0,0]=3 881 B4R0.2 CNCCN TS03408 [1,0,1,0,0,0|2,0,0]=4 882 B4R0.2 CNCCO TS00099 [1,0,1,0,0,0|1,1,0]=4 883 B4R0.2 COCCBr TS65036 [1,0,1,0,0,0|2,0,0]=4 884 B4R0.2 COCCBr TS93982 [1,0,1,0,0,0|2,0,0]=4 885 B4R0.2 COCCCl TS03687 [1,0,1,0,0,0|2,0,0]=4 886 B4R0.2 COCCN TS71632 [1,0,1,0,0,0|2,0,0]=4 887 B4R0.2 COCCO TS71642 [1,0,1,0,0,0|1,1,0]=4 888 B4R0.2 COCC[O-] TS03754 [1,0,1,0,0,0|1,1,0]=4 889 B4R0.2 COCC[O-] TS44727 [1,0,1,0,0,0|1,1,0]=4 890 B4R0.2 COCC[O-] TS45853 [1,0,1,0,0,0|1,1,0]=4 891 B4R0.2 COCOC TS08721 [1,0,1,0,0,0|2,0,0]=4 892 B4R0.2 CSCCCl TS31867 [1,0,1,0,0,0|2,0,0]=4 893 B4R0.2 CSCCCl TS93571 [1,0,1,0,0,0|2,0,0]=4 894 B4R0.2 CSCCN TS03646 [1,0,1,0,0,0|2,0,0]=4 895 B4R0.2 CSCCO TS71862 [1,0,1,0,0,0|1,1,0]=4 896 B4R0.2 CSCSC TS04154 [1,0,1,0,0,0|2,0,0]=4 897 B4R0.2 [2H]OCCC TS65595 [1,0,1,0,0,0|2,0,0]=4 898 B4R0.2 [Li]CCCC TS39912 [1,0,1,0,0,0|1,0,0]=3 899 B6R0.1 C(CBr)C(CBr)Br TS35747 [0,1,1,0,0,0|2,0,0]=4 900 B6R0.1 C(CBr)C(CCl)Cl TS38906 [0,1,1,0,0,0|2,0,0]=4 901 B6R0.1 C(CCl)C(CCl)O TS06819 [0,1,1,0,0,0|1,1,0]=4 902 B6R0.1 C(CO)C(CO)O TS04081 [0,1,1,0,0,0|1,1,0]=4 903 B6R0.1 C(CO)C(CO)O TS94708 [0,1,1,0,0,0|1,1,0]=4 904 B6R0.1 C(CO)[C@@H](CO)O TS94709 [0,1,1,0,0,0|1,1,0]=4 905 B6R0.1 C(CO)[C@H](CCl)O TS36026 [0,1,1,0,0,0|1,1,0]=4 906 B6R0.1 C(CO)[C@H](CO)O TS04082 [0,1,1,0,0,0|1,1,0]=4 907 B6R0.1 CC(CC=O)SC TS32354 [0,1,1,0,0,0|1,0,1]=4 908 B6R0.1 CC(CCO)C=C TS31514 [0,1,1,0,0,0|2,0,0]=4 909 B6R0.1 CC(CCO)OC TS04039 [0,1,1,0,0,0|1,1,0]=4 910 B6R0.1 CC(COC)OC TS94098 [0,1,1,0,0,0|1,1,0]=4 911 B6R0.1 CCC(C)CCBr TS42853 [0,1,1,0,0,0|2,0,0]=4 912 B6R0.1 CCC(C)CCO TS31615 [0,1,1,0,0,0|2,0,0]=4 913 B6R0.1 CCC(C)SCC TS04755 [0,1,1,0,0,0|2,0,0]=4 914 B6R0.1 CCC(CCN)N TS03976 [0,1,1,0,0,0|2,0,0]=4 915 B6R0.1 CCC(COC)N TS04013 [0,1,1,0,0,0|2,0,0]=4 916 B6R0.1 CCC(COC)O TS04038 [0,1,1,0,0,0|1,1,0]=4 917 B6R0.1 CCCC(=C)CC TS03794 [0,1,1,0,0,0|1,0,1]=4 918 B6R0.1 CCCC(=CC)C TS31455 [0,1,1,0,0,0|1,0,1]=4 919 B6R0.1 CCCC(=O)CC TS31522 [0,1,1,0,0,0|0,1,1]=4 920 B6R0.1 CCCC(=O)OC TS03955 [0,1,1,0,0,0|0,1,1]=4 921 B6R0.1 CCCC(=S)OC TS32358 [0,1,1,0,0,0|0,0,2]=4 922 B6R0.1 CCCC(C#C)O TS31446 [0,1,1,0,0,0|0,1,1]=4 923 B6R0.1 CCCC(C)C#C TS31387 [0,1,1,0,0,0|1,0,0]=3 924 B6R0.1 CCCC(C)C=C TS03798 [0,1,1,0,0,0|1,0,0]=3 925 B6R0.1 CCCC(C)C=O TS01565 [0,1,1,0,0,0|0,1,0]=3 926 B6R0.1 CCCC(C)CBr TS42857 [0,1,1,0,0,0|1,0,0]=3 927 B6R0.1 CCCC(C)CC TS03886 [0,1,1,0,0,0|1,0,0]=3 928 B6R0.1 CCCC(C)CO TS39282 [0,1,1,0,0,0|0,1,0]=3 929 B6R0.1 CCCC(C)NC TS03920 [0,1,1,0,0,0|1,0,0]=3 930 B6R0.1 CCCC(C=C)O TS03859 [0,1,1,0,0,0|0,1,1]=4 931 B6R0.1 CCCC(CBr)Br TS52925 [0,1,1,0,0,0|1,0,0]=3 932 B6R0.1 CCCC(CC)Br TS42856 [0,1,1,0,0,0|1,0,0]=3 933 B6R0.1 CCCC(CC)Cl TS04841 [0,1,1,0,0,0|1,0,0]=3 934 B6R0.1 CCCC(CC)I TS44109 [0,1,1,0,0,0|1,0,0]=3 935 B6R0.1 CCCC(CC)N TS31564 [0,1,1,0,0,0|1,0,0]=3 936 B6R0.1 CCCC(CC)O TS31611 [0,1,1,0,0,0|0,1,0]=3 937 B6R0.1 CCCC(CC)S TS40939 [0,1,1,0,0,0|0,0,0]=2 938 B6R0.1 CCCC(CC)[Zn+] TS24971 [0,1,1,0,0,0|1,0,0]=3 939 B6R0.1 CCCC(CCl)Cl TS06553 [0,1,1,0,0,0|1,0,0]=3 940 B6R0.1 CCCC(CO)O TS04026 [0,1,1,0,0,0|0,1,0]=3 941 B6R0.1 CCCN(C)N=O TS31599 [0,1,1,0,0,0|1,1,0]=4 942 B6R0.1 CCC[C@@H](CO)N TS04002 [0,1,1,0,0,0|1,0,0]=3 943 B6R0.1 CCC[C@@H](CO)O TS04042 [0,1,1,0,0,0|0,1,0]=3 944 B6R0.1 CCC[C@H](CO)N TS04000 [0,1,1,0,0,0|1,0,0]=3 945 B6R0.1 CCOC(CBr)Br TS25152 [0,1,1,0,0,0|2,0,0]=4 946 B6R0.1 CCOC(CCl)Cl TS06818 [0,1,1,0,0,0|2,0,0]=4 947 B6R0.1 CC[C@H](C)CCBr TS42859 [0,1,1,0,0,0|2,0,0]=4 948 B6R0.1 CC[C@H](C)CCO TS31612 [0,1,1,0,0,0|2,0,0]=4 949 B6R0.1 CNCC(CO)O TS04078 [0,1,1,0,0,0|1,1,0]=4 950 B6R0.1 COCC(CCl)O TS36028 [0,1,1,0,0,0|1,1,0]=4 951 B6R0.1 COCC(CF)O TS31763 [0,1,1,0,0,0|1,1,0]=4 952 B6R0.1 COCC(CO)O TS04080 [0,1,1,0,0,0|1,1,0]=4 953 B6R0.1 CSCC(CO)O TS32525 [0,1,1,0,0,0|1,1,0]=4 954 B6R0.1 C[C@@H](CCO)CO TS04034 [0,1,1,0,0,0|1,1,0]=4 955 B6R0.1 C[C@H](CCO)CO TS04033 [0,1,1,0,0,0|1,1,0]=4 956 B6R0.2 CC(C)CC(=C)C TS31451 [0,1,1,0,0,0|1,0,1]=4 957 B6R0.2 CC(C)CC(=O)C TS31526 [0,1,1,0,0,0|0,1,1]=4 958 B6R0.2 CC(C)CC(C)Br TS42854 [0,1,1,0,0,0|1,0,0]=3 959 B6R0.2 CC(C)CC(C)C TS03884 [0,1,1,0,0,0|1,0,0]=3 960 B6R0.2 CC(C)CC(C)Cl TS04844 [0,1,1,0,0,0|1,0,0]=3 961 B6R0.2 CC(C)CC(C)N TS31566 [0,1,1,0,0,0|1,0,0]=3 962 B6R0.2 CC(C)CC(C)N TS94386 [0,1,1,0,0,0|1,0,0]=3 963 B6R0.2 CC(C)CC(C)O TS31610 [0,1,1,0,0,0|0,1,0]=3 964 B6R0.2 CC(C)CN(C)C TS03921 [0,1,1,0,0,0|2,0,0]=4 965 B6R0.2 CC(C)NC(C)C TS37146 [0,1,1,0,0,0|2,0,0]=4 966 B6R0.2 CC(C)NC(C)C TS37509 [0,1,1,0,0,0|2,0,0]=4 967 B6R0.2 CC(C)NC(C)C TS39848 [0,1,1,0,0,0|2,0,0]=4 968 B6R0.2 CC(C)NC(C)C TS52959 [0,1,1,0,0,0|2,0,0]=4 969 B6R0.2 CC(C)OC(C)C TS39676 [0,1,1,0,0,0|2,0,0]=4 970 B6R0.2 CC(C)PC(C)C TS04732 [0,1,1,0,0,0|2,0,0]=4 971 B6R0.2 CC(C)SC(C)C TS04751 [0,1,1,0,0,0|2,0,0]=4 972 B6R0.2 CC(C)[Hg]C(C)C TS35001 [0,1,1,0,0,0|2,0,0]=4 973 B6R0.2 CC(C)[N-]C(C)C TS74519 [0,1,1,0,0,0|2,0,0]=4 974 B6R0.2 CC(C)[SiH2]C(C)C TS04646 [0,1,1,0,0,0|1,1,0]=4 975 B6R0.2 CC(CC(=C)C)O TS31505 [0,1,1,0,0,0|0,1,1]=4 976 B6R0.2 CC(CC(C)Cl)Cl TS06556 [0,1,1,0,0,0|1,0,0]=3 977 B6R0.2 CC(CC(C)O)O TS04029 [0,1,1,0,0,0|0,1,0]=3 978 B6R0.2 CC(CN(C)C)Cl TS41840 [0,1,1,0,0,0|2,0,0]=4 979 B6R0.2 CC(CN(C)C)O TS04008 [0,1,1,0,0,0|1,1,0]=4 980 B6R0.2 C[C@@H](CN(C)C)O TS04004 [0,1,1,0,0,0|1,1,0]=4 981 B6R0.2 C[C@@H](C[C@H](C)O)O TS04035 [0,1,1,0,0,0|0,1,0]=3 982 B6R0.2 C[C@H](C[C@@H](C)O)O TS04043 [0,1,1,0,0,0|0,1,0]=3 983 B6R0.3 CC(C(CBr)Br)Br TS35748 [0,1,1,0,0,0|2,0,0]=4 984 B6R0.3 CC(C(CO)O)O TS04083 [0,1,1,0,0,0|1,1,0]=4 985 B6R0.3 CC(C)C(CBr)Br TS52924 [0,1,1,0,0,0|2,0,0]=4 986 B6R0.3 CC(C)C(CO)S TS32435 [0,1,1,0,0,0|2,0,0]=4 987 B6R0.3 CC(C)[C@@H](CO)N TS56215 [0,1,1,0,0,0|2,0,0]=4 988 B6R0.3 CC(C)[C@H](CO)N TS08466 [0,1,1,0,0,0|2,0,0]=4 989 B6R0.3 CCC(=C)C(C)C TS03792 [0,1,1,0,0,0|1,0,1]=4 990 B6R0.3 CCC(=O)C(C)C TS31520 [0,1,1,0,0,0|1,0,1]=4 991 B6R0.3 CCC(C(=C)C)O TS31517 [0,1,1,0,0,0|1,0,1]=4 992 B6R0.3 CCC(C(=O)C)S TS32355 [0,1,1,0,0,0|0,1,1]=4 993 B6R0.3 CCC(C(C)Br)Br TS52927 [0,1,1,0,0,0|1,0,0]=3 994 B6R0.3 CCC(C(C)C)O TS03969 [0,1,1,0,0,0|1,0,0]=3 995 B6R0.3 CCC(C(C)Cl)Cl TS06555 [0,1,1,0,0,0|1,0,0]=3 996 B6R0.3 CCC(C)C(=O)C TS31518 [0,1,1,0,0,0|0,1,1]=4 997 B6R0.3 CCC(C)C(C)C TS03882 [0,1,1,0,0,0|1,0,0]=3 998 B6R0.3 CCC(C)C(C)O TS03961 [0,1,1,0,0,0|0,1,0]=3 999 B6R0.3 CCC(C)N(C)C TS03924 [0,1,1,0,0,0|2,0,0]=4 1000 B6R0.3 C[C@@H]([C@H](CO)N)O TS33038 [0,1,1,0,0,0|1,1,0]=4 1001 B6R0.3 C[C@H]([C@@H](CO)N)O TS07680 [0,1,1,0,0,0|1,1,0]=4 1002 B6R0.4 CC#CCC(C)C TS31389 [0,1,1,0,0,0|1,0,1]=4 1003 B6R0.4 CC(=C)CCCO TS31523 [0,1,1,0,0,0|1,0,1]=4 1004 B6R0.4 CC(=O)CCCCl TS03260 [0,1,1,0,0,0|0,1,1]=4 1005 B6R0.4 CC(=O)CCCO TS39779 [0,1,1,0,0,0|0,1,1]=4 1006 B6R0.4 CC(=O)CCSC TS32359 [0,1,1,0,0,0|0,1,1]=4 1007 B6R0.4 CC(C)CCC#C TS03732 [0,1,1,0,0,0|1,0,1]=4 1008 B6R0.4 CC(C)CCC=C TS03801 [0,1,1,0,0,0|1,0,1]=4 1009 B6R0.4 CC(C)CCC=O TS39767 [0,1,1,0,0,0|1,0,1]=4 1010 B6R0.4 CC(C)CCCBr TS42858 [0,1,1,0,0,0|1,0,0]=3 1011 B6R0.4 CC(C)CCCO TS03963 [0,1,1,0,0,0|1,0,0]=3 1012 B6R0.4 CC(C)CCNC TS03922 [0,1,1,0,0,0|1,0,0]=3 1013 B6R0.4 CC(C)NCCN TS03977 [0,1,1,0,0,0|2,0,0]=4 1014 B6R0.4 CC(C)NCCO TS04007 [0,1,1,0,0,0|2,0,0]=4 1015 B6R0.4 CC(C)OCCN TS39675 [0,1,1,0,0,0|2,0,0]=4 1016 B6R0.4 CC(C)OCCO TS04040 [0,1,1,0,0,0|2,0,0]=4 1017 B6R0.4 CC(C)SCCO TS32430 [0,1,1,0,0,0|2,0,0]=4 1018 B6R0.4 CC(CCC=C)Br TS11654 [0,1,1,0,0,0|1,0,1]=4 1019 B6R0.4 CC(CCC=C)O TS31524 [0,1,1,0,0,0|0,1,1]=4 1020 B6R0.4 CC(CCCBr)Br TS52922 [0,1,1,0,0,0|1,0,0]=3 1021 B6R0.4 CC(CCCO)O TS04032 [0,1,1,0,0,0|0,1,0]=3 1022 B6R0.4 CC=CCC(C)C TS03790 [0,1,1,0,0,0|1,0,1]=4 1023 B6R0.4 CCC#CC(C)C TS03722 [0,1,1,0,0,0|1,0,1]=4 1024 B6R0.4 CCC#CC(C)O TS31430 [0,1,1,0,0,0|0,1,1]=4 1025 B6R0.4 CCC=CC(C)C TS03789 [0,1,1,0,0,0|1,0,1]=4 1026 B6R0.4 CCCCC(=C)C TS31452 [0,1,1,0,0,0|1,0,1]=4 1027 B6R0.4 CCCCC(=O)C TS31529 [0,1,1,0,0,0|0,1,1]=4 1028 B6R0.4 CCCCC(C)Br TS42855 [0,1,1,0,0,0|1,0,0]=3 1029 B6R0.4 CCCCC(C)C TS03881 [0,1,1,0,0,0|1,0,0]=3 1030 B6R0.4 CCCCC(C)Cl TS04843 [0,1,1,0,0,0|1,0,0]=3 1031 B6R0.4 CCCCC(C)I TS44108 [0,1,1,0,0,0|1,0,0]=3 1032 B6R0.4 CCCCC(C)N TS31565 [0,1,1,0,0,0|1,0,0]=3 1033 B6R0.4 CCCCC(C)O TS31617 [0,1,1,0,0,0|0,1,0]=3 1034 B6R0.4 CCCCN(C)C TS03927 [0,1,1,0,0,0|2,0,0]=4 1035 B6R0.4 CCCC[C@@H](C)N TS03923 [0,1,1,0,0,0|1,0,0]=3 1036 B6R0.4 CCCC[C@@H](C)O TS03965 [0,1,1,0,0,0|0,1,0]=3 1037 B6R0.4 CCCC[C@H](C)N TS03919 [0,1,1,0,0,0|1,0,0]=3 1038 B6R0.4 CCCC[C@H](C)O TS31613 [0,1,1,0,0,0|0,1,0]=3 1039 B6R0.4 CCCC[Si](C)C TS04645 [0,1,1,0,0,0|1,1,0]=4 1040 B6R0.4 CCCNC(C)C TS03926 [0,1,1,0,0,0|1,0,0]=3 1041 B6R0.4 CCCOC(=O)C TS03949 [0,1,1,0,0,0|0,1,1]=4 1042 B6R0.4 CCCSC(=O)C TS32364 [0,1,1,0,0,0|0,1,1]=4 1043 B6R0.4 CCCSC(C)C TS32368 [0,1,1,0,0,0|1,0,0]=3 1044 B6R0.4 CCC[SiH2]C(Cl)Cl TS41736 [0,1,1,0,0,0|2,0,0]=4 1045 B6R0.4 CCNCC(=C)C TS03829 [0,1,1,0,0,0|1,0,1]=4 1046 B6R0.4 CCOCC(C)C TS03959 [0,1,1,0,0,0|1,0,0]=3 1047 B6R0.4 CCSCC(=O)C TS32360 [0,1,1,0,0,0|0,1,1]=4 1048 B6R0.4 CCSCC(C)C TS04752 [0,1,1,0,0,0|1,0,0]=3 1049 B6R0.4 CN(C)CCCN TS39904 [0,1,1,0,0,0|2,0,0]=4 1050 B6R0.4 CN(C)CCCO TS03999 [0,1,1,0,0,0|2,0,0]=4 1051 B6R0.4 CNCCN(C)C TS39408 [0,1,1,0,0,0|2,0,0]=4 1052 B6R0.4 C[C@@H](CCC=C)O TS03860 [0,1,1,0,0,0|0,1,1]=4 1053 B6R0.5 CC(C)(C)CCBr TS46921 [0,1,1,0,0,0|2,0,0]=4 1054 B6R0.5 CC(C)(C)CCCl TS04845 [0,1,1,0,0,0|2,0,0]=4 1055 B6R0.5 CC(C)(C)CCI TS44107 [0,1,1,0,0,0|2,0,0]=4 1056 B6R0.5 CC(C)(C)CCN TS03928 [0,1,1,0,0,0|2,0,0]=4 1057 B6R0.5 CC(C)(C)CCO TS03966 [0,1,1,0,0,0|2,0,0]=4 1058 B6R0.5 CC(C)(CCBr)Br TS52926 [0,1,1,0,0,0|2,0,0]=4 1059 B6R0.5 CC(C)(CCCl)Cl TS06551 [0,1,1,0,0,0|2,0,0]=4 1060 B6R0.5 CC(C)(CCO)O TS04031 [0,1,1,0,0,0|1,1,0]=4 1061 B6R0.5 CC(C)(CCO)S TS32431 [0,1,1,0,0,0|1,0,0]=3 1062 B6R0.5 CC(C)(COC)O TS04041 [0,1,1,0,0,0|1,1,0]=4 1063 B6R0.5 CCCC(C)(C)Br TS42852 [0,1,1,0,0,0|1,0,0]=3 1064 B6R0.5 CCCC(C)(C)C TS03883 [0,1,1,0,0,0|1,0,0]=3 1065 B6R0.5 CCCC(C)(C)Cl TS04846 [0,1,1,0,0,0|1,0,0]=3 1066 B6R0.5 CCCC(C)(C)O TS31616 [0,1,1,0,0,0|0,1,0]=3 1067 B6R0.5 CCCC(C)(C)S TS04754 [0,1,1,0,0,0|0,0,0]=2 1068 B6R0.5 CCCC(F)(F)F TS04281 [0,1,1,0,0,0|2,0,0]=4 1069 B6R0.5 CCC[Si](C)(C)Cl TS06146 [0,1,1,0,0,0|1,1,0]=4 1070 B6R0.5 CCNC(C)(C)C TS03917 [0,1,1,0,0,0|2,0,0]=4 1071 B6R0.5 CCOC(C)(C)C TS03970 [0,1,1,0,0,0|2,0,0]=4 1072 B6R0.5 CCSC(C)(C)C TS04748 [0,1,1,0,0,0|2,0,0]=4 1073 B6R0.6 C#CCCCCCl TS04652 [0,1,1,0,0,0|1,0,1]=4 1074 B6R0.6 C#CCCCCO TS31426 [0,1,1,0,0,0|0,1,1]=4 1075 B6R0.6 C(CBr)OCCBr TS08788 [0,1,1,0,0,0|2,0,0]=4 1076 B6R0.6 C(CCBr)CC#N TS11479 [0,1,1,0,0,0|1,0,1]=4 1077 B6R0.6 C(CCBr)CCBr TS07888 [0,1,1,0,0,0|1,0,0]=3 1078 B6R0.6 C(CCCl)CC#N TS08706 [0,1,1,0,0,0|1,0,1]=4 1079 B6R0.6 C(CCCl)CC=O TS32450 [0,1,1,0,0,0|0,1,1]=4 1080 B6R0.6 C(CCCl)CCBr TS48788 [0,1,1,0,0,0|1,0,0]=3 1081 B6R0.6 C(CCCl)CCCl TS06550 [0,1,1,0,0,0|1,0,0]=3 1082 B6R0.6 C(CCCl)CCI TS53384 [0,1,1,0,0,0|1,0,0]=3 1083 B6R0.6 C(CCCl)CC[Zn+] TS28126 [0,1,1,0,0,0|1,0,0]=3 1084 B6R0.6 C(CCI)CCI TS77462 [0,1,1,0,0,0|1,0,0]=3 1085 B6R0.6 C(CCN)CCN TS03978 [0,1,1,0,0,0|1,0,0]=3 1086 B6R0.6 C(CCN)CCN TS45899 [0,1,1,0,0,0|1,0,0]=3 1087 B6R0.6 C(CCN)CCO TS04006 [0,1,1,0,0,0|0,1,0]=3 1088 B6R0.6 C(CCO)CC=O TS03340 [0,1,1,0,0,0|0,1,1]=4 1089 B6R0.6 C(CCO)CCBr TS09812 [0,1,1,0,0,0|0,1,0]=3 1090 B6R0.6 C(CCO)CCCl TS71520 [0,1,1,0,0,0|0,1,0]=3 1091 B6R0.6 C(CCO)CCO TS46820 [0,1,1,0,0,0|0,1,0]=3 1092 B6R0.6 C(CCS)CCS TS37065 [0,1,1,0,0,0|0,0,0]=2 1093 B6R0.6 C(CC[Zn+])CC#N TS24406 [0,1,1,0,0,0|1,0,1]=4 1094 B6R0.6 C(CCl)NCCCl TS55773 [0,1,1,0,0,0|2,0,0]=4 1095 B6R0.6 C(CCl)OCCCl TS00044 [0,1,1,0,0,0|2,0,0]=4 1096 B6R0.6 C(CI)OCCI TS63369 [0,1,1,0,0,0|2,0,0]=4 1097 B6R0.6 C(CNCCN)N TS04014 [0,1,1,0,0,0|2,0,0]=4 1098 B6R0.6 C(CNCCO)N TS00063 [0,1,1,0,0,0|1,1,0]=4 1099 B6R0.6 C(CO)NCCO TS04076 [0,1,1,0,0,0|1,1,0]=4 1100 B6R0.6 C(CO)NCCO TS37530 [0,1,1,0,0,0|1,1,0]=4 1101 B6R0.6 C(CO)NCCO TS76269 [0,1,1,0,0,0|1,1,0]=4 1102 B6R0.6 C(COCCCl)O TS36027 [0,1,1,0,0,0|1,1,0]=4 1103 B6R0.6 C(COCCN)N TS04047 [0,1,1,0,0,0|2,0,0]=4 1104 B6R0.6 C(COCCN)N TS47125 [0,1,1,0,0,0|2,0,0]=4 1105 B6R0.6 C(COCCO)N TS04075 [0,1,1,0,0,0|1,1,0]=4 1106 B6R0.6 C(COCCO)O TS01431 [0,1,1,0,0,0|1,1,0]=4 1107 B6R0.6 C(COCCS)O TS32524 [0,1,1,0,0,0|1,0,0]=3 1108 B6R0.6 C(CS)OCCS TS37236 [0,1,1,0,0,0|1,0,0]=3 1109 B6R0.6 C(CSCCN)N TS32436 [0,1,1,0,0,0|2,0,0]=4 1110 B6R0.6 C(CSCCO)N TS04873 [0,1,1,0,0,0|1,1,0]=4 1111 B6R0.6 C(CSCCO)O TS32771 [0,1,1,0,0,0|1,1,0]=4 1112 B6R0.6 C(CSCCS)S TS10516 [0,1,1,0,0,0|1,0,0]=3 1113 B6R0.6 C=CCCCCBr TS33003 [0,1,1,0,0,0|1,0,1]=4 1114 B6R0.6 C=CCCCCCl TS04773 [0,1,1,0,0,0|1,0,1]=4 1115 B6R0.6 C=CCCCCN TS03830 [0,1,1,0,0,0|1,0,1]=4 1116 B6R0.6 C=CCCCCO TS71562 [0,1,1,0,0,0|0,1,1]=4 1117 B6R0.6 CC=CCCCO TS31509 [0,1,1,0,0,0|0,1,1]=4 1118 B6R0.6 CC=CCCCO TS31521 [0,1,1,0,0,0|0,1,1]=4 1119 B6R0.6 CCC=CCCO TS31511 [0,1,1,0,0,0|0,1,1]=4 1120 B6R0.6 CCC=CCCO TS31515 [0,1,1,0,0,0|0,1,1]=4 1121 B6R0.6 CCCC#CCC TS03730 [0,1,1,0,0,0|1,0,1]=4 1122 B6R0.6 CCCC=CCO TS03865 [0,1,1,0,0,0|0,1,1]=4 1123 B6R0.6 CCCCC#CC TS03724 [0,1,1,0,0,0|1,0,1]=4 1124 B6R0.6 CCCCC=CBr TS11653 [0,1,1,0,0,0|1,0,1]=4 1125 B6R0.6 CCCCC=CC TS03803 [0,1,1,0,0,0|1,0,1]=4 1126 B6R0.6 CCCCCC#C TS03726 [0,1,1,0,0,0|1,0,0]=3 1127 B6R0.6 CCCCCC#N TS31405 [0,1,1,0,0,0|1,0,0]=3 1128 B6R0.6 CCCCCC=C TS31453 [0,1,1,0,0,0|1,0,0]=3 1129 B6R0.6 CCCCCC=O TS39877 [0,1,1,0,0,0|0,1,0]=3 1130 B6R0.6 CCCCCCBr TS00036 [0,1,1,0,0,0|1,0,0]=3 1131 B6R0.6 CCCCCCC TS03885 [0,1,1,0,0,0|1,0,0]=3 1132 B6R0.6 CCCCCCCl TS04842 [0,1,1,0,0,0|1,0,0]=3 1133 B6R0.6 CCCCCCF TS31676 [0,1,1,0,0,0|1,0,0]=3 1134 B6R0.6 CCCCCCI TS93973 [0,1,1,0,0,0|1,0,0]=3 1135 B6R0.6 CCCCCCN TS31561 [0,1,1,0,0,0|1,0,0]=3 1136 B6R0.6 CCCCCCN TS37145 [0,1,1,0,0,0|1,0,0]=3 1137 B6R0.6 CCCCCCO TS39881 [0,1,1,0,0,0|0,1,0]=3 1138 B6R0.6 CCCCCCS TS04753 [0,1,1,0,0,0|0,0,0]=2 1139 B6R0.6 CCCCCC[SiH3] TS04643 [0,1,1,0,0,0|1,0,0]=3 1140 B6R0.6 CCCCCC[Zn+] TS24970 [0,1,1,0,0,0|1,0,0]=3 1141 B6R0.6 CCCCCNC TS03916 [0,1,1,0,0,0|1,0,0]=3 1142 B6R0.6 CCCCCNN TS06331 [0,1,1,0,0,0|1,0,0]=3 1143 B6R0.6 CCCCCSC TS04750 [0,1,1,0,0,0|0,0,0]=2 1144 B6R0.6 CCCCC[Mg]Cl TS36578 [0,1,1,0,0,0|1,0,0]=3 1145 B6R0.6 CCCCN=C=O TS93082 [0,1,1,0,0,0|0,1,1]=4 1146 B6R0.6 CCCCN=C=S TS04546 [0,1,1,0,0,0|0,0,2]=4 1147 B6R0.6 CCCCNC=O TS03902 [0,1,1,0,0,0|0,1,1]=4 1148 B6R0.6 CCCCNCC TS03925 [0,1,1,0,0,0|1,0,0]=3 1149 B6R0.6 CCCCOC=C TS33237 [0,1,1,0,0,0|1,0,1]=4 1150 B6R0.6 CCCCOC=O TS03954 [0,1,1,0,0,0|0,1,1]=4 1151 B6R0.6 CCCCOCC TS03964 [0,1,1,0,0,0|1,0,0]=3 1152 B6R0.6 CCCCOCCl TS04949 [0,1,1,0,0,0|1,0,0]=3 1153 B6R0.6 CCCCON=O TS31645 [0,1,1,0,0,0|1,1,0]=4 1154 B6R0.6 CCCCSC#N TS04545 [0,1,1,0,0,0|1,0,1]=4 1155 B6R0.6 CCCCSCC TS04749 [0,1,1,0,0,0|1,0,0]=3 1156 B6R0.6 CCCCS[SnH]=O TS23939 [0,1,1,0,0,0|1,1,0]=4 1157 B6R0.6 CCCNCCC TS39857 [0,1,1,0,0,0|1,0,0]=3 1158 B6R0.6 CCCNCCN TS03973 [0,1,1,0,0,0|1,0,0]=3 1159 B6R0.6 CCCNCCO TS04001 [0,1,1,0,0,0|0,1,0]=3 1160 B6R0.6 CCCOCCC TS03967 [0,1,1,0,0,0|1,0,0]=3 1161 B6R0.6 CCCOCCC TS49356 [0,1,1,0,0,0|1,0,0]=3 1162 B6R0.6 CCCOCCCl TS04951 [0,1,1,0,0,0|1,0,0]=3 1163 B6R0.6 CCCOCCN TS04012 [0,1,1,0,0,0|1,0,0]=3 1164 B6R0.6 CCCSCC=C TS04636 [0,1,1,0,0,0|1,0,1]=4 1165 B6R0.6 CCCSCCC TS04756 [0,1,1,0,0,0|1,0,0]=3 1166 B6R0.6 CCCSCCO TS32433 [0,1,1,0,0,0|0,1,0]=3 1167 B6R0.6 CCCSSCC TS37066 [0,1,1,0,0,0|2,0,0]=4 1168 B6R0.6 CCCSSSC TS10513 [0,1,1,0,0,0|2,0,0]=4 1169 B6R0.6 CCC[Hg]CCC TS35002 [0,1,1,0,0,0|1,0,0]=3 1170 B6R0.6 CCNCCC#N TS03784 [0,1,1,0,0,0|1,0,1]=4 1171 B6R0.6 CCNCCCN TS03975 [0,1,1,0,0,0|1,0,0]=3 1172 B6R0.6 CCNCCNC TS03972 [0,1,1,0,0,0|2,0,0]=4 1173 B6R0.6 CCOCCC#N TS03822 [0,1,1,0,0,0|1,0,1]=4 1174 B6R0.6 CCOCCCBr TS12340 [0,1,1,0,0,0|1,0,0]=3 1175 B6R0.6 CCOCCCCl TS04950 [0,1,1,0,0,0|1,0,0]=3 1176 B6R0.6 CCOCCCN TS04010 [0,1,1,0,0,0|1,0,0]=3 1177 B6R0.6 CCOCCCO TS04028 [0,1,1,0,0,0|0,1,0]=3 1178 B6R0.6 CCOCCOC TS04027 [0,1,1,0,0,0|1,1,0]=4 1179 B6R0.6 CCOCOCC TS74492 [0,1,1,0,0,0|2,0,0]=4 1180 B6R0.6 CCSCCCO TS32432 [0,1,1,0,0,0|0,1,0]=3 1181 B6R0.6 CNCCCNC TS56351 [0,1,1,0,0,0|2,0,0]=4 1182 B6R0.6 COCCCCBr TS03145 [0,1,1,0,0,0|1,0,0]=3 1183 B6R0.6 COCCCCCl TS39592 [0,1,1,0,0,0|1,0,0]=3 1184 B6R0.6 COCCCCO TS07977 [0,1,1,0,0,0|0,1,0]=3 1185 B6R0.6 COCCOCCl TS39595 [0,1,1,0,0,0|2,0,0]=4 1186 B6R0.6 COCOCCBr TS44958 [0,1,1,0,0,0|2,0,0]=4 1187 B6R0.6 CSCCCCO TS32429 [0,1,1,0,0,0|0,1,0]=3 1188 B6R0.6 CSCCCSC TS37067 [0,1,1,0,0,0|1,0,0]=3 1189 B6R0.6 [Li]CCCCCC TS03654 [0,1,1,0,0,0|1,0,0]=3 1190 B6R0.8 CCC(C)(C)CC TS03879 [0,1,1,0,0,0|1,0,0]=3 1191 B6R0.8 CCC(C)(C)CO TS31614 [0,1,1,0,0,0|2,0,0]=4 1192 B6R0.8 CCC(C)(CC)Br TS60333 [0,1,1,0,0,0|1,0,0]=3 1193 B6R0.8 CCC(C)(CC)O TS03968 [0,1,1,0,0,0|0,1,0]=3 1194 B6R0.8 CCP(=O)(CC)Cl TS37444 [0,1,1,0,0,0|1,1,0]=4 1195 B6R0.8 CCS(=O)(=O)CC TS32523 [0,1,1,0,0,0|1,1,0]=4 1196 B6R0.8 CC[Ge](CC)(Cl)Cl TS38163 [0,1,1,0,0,0|1,1,0]=4 1197 B6R0.8 CC[N+](C)(C)CC TS04796 [0,1,1,0,0,0|2,0,0]=4 1198 B6R0.8 CC[Si](CC)(Cl)Cl TS10828 [0,1,1,0,0,0|1,1,0]=4 1199 B6R0.8 CC[Sn](CC)(Cl)Cl TS27673 [0,1,1,0,0,0|2,0,0]=4 1200 B6R0.9 B(CC)(CC)CC TS31417 [0,1,1,0,0,0|2,0,0]=4 1201 B6R0.9 B(CC)(CC)OC TS31480 [0,1,1,0,0,0|1,1,0]=4 1202 B6R0.9 CCC(CC)C=C TS03805 [0,1,1,0,0,0|1,0,0]=3 1203 B6R0.9 CCC(CC)CBr TS11973 [0,1,1,0,0,0|1,0,0]=3 1204 B6R0.9 CCC(CC)CCl TS04847 [0,1,1,0,0,0|1,0,0]=3 1205 B6R0.9 CCC(CC)CN TS55314 [0,1,1,0,0,0|1,0,0]=3 1206 B6R0.9 CCC(CC)CO TS03962 [0,1,1,0,0,0|0,1,0]=3 1207 B6R0.9 CCC(CO)CO TS04037 [0,1,1,0,0,0|1,1,0]=4 1208 B6R0.9 CCC(OC)OC TS04030 [0,1,1,0,0,0|1,1,0]=4 1209 B6R0.9 CCN(CC)C=O TS39410 [0,1,1,0,0,0|1,1,0]=4 1210 B6R0.9 CCN(CC)CC TS00288 [0,1,1,0,0,0|2,0,0]=4 1211 B6R0.9 CCN(CC)CC TS00289 [0,1,1,0,0,0|2,0,0]=4 1212 B6R0.9 CCN(CC)CC TS42336 [0,1,1,0,0,0|2,0,0]=4 1213 B6R0.9 CCN(CC)CC TS48183 [0,1,1,0,0,0|2,0,0]=4 1214 B6R0.9 CCN(CC)CC TS70162 [0,1,1,0,0,0|2,0,0]=4 1215 B6R0.9 CCN(CC)CC TS94058 [0,1,1,0,0,0|2,0,0]=4 1216 B6R0.9 CCN(CC)CO TS04009 [0,1,1,0,0,0|1,1,0]=4 1217 B6R0.9 CCN(CC)N=O TS31604 [0,1,1,0,0,0|1,1,0]=4 1218 B6R0.9 CCP(CC)CC TS04731 [0,1,1,0,0,0|2,0,0]=4 1219 B6R0.9 CCP(CC)CC TS27543 [0,1,1,0,0,0|2,0,0]=4 1220 B6R0.9 CCP(CC)CC TS79051 [0,1,1,0,0,0|2,0,0]=4 1221 B6R0.9 CCP(CC)CC TS83252 [0,1,1,0,0,0|2,0,0]=4 1222 B6R0.9 CC[Al](CC)CC TS32086 [0,1,1,0,0,0|2,0,0]=4 1223 B6R0.9 CC[As](CC)CC TS11491 [0,1,1,0,0,0|2,0,0]=4 1224 B6R0.9 CC[Ga](CC)CC TS10805 [0,1,1,0,0,0|2,0,0]=4 1225 B6R0.9 CC[GeH](CC)CC TS11342 [0,1,1,0,0,0|1,1,0]=4 1226 B6R0.9 CC[In](CC)CC TS19303 [0,1,1,0,0,0|2,0,0]=4 1227 B6R0.9 CC[O+](CC)CC TS01629 [0,1,1,0,0,0|2,0,0]=4 1228 B6R0.9 CC[O+](CC)CC TS27702 [0,1,1,0,0,0|2,0,0]=4 1229 B6R0.9 CC[S+](CC)CC TS20090 [0,1,1,0,0,0|2,0,0]=4 1230 B6R0.9 CC[Sb](CC)CC TS43572 [0,1,1,0,0,0|2,0,0]=4 1231 B6R0.9 CC[SiH](CC)CC TS00290 [0,1,1,0,0,0|1,1,0]=4 1232 B6R0.9 CSC(SC)SC TS10515 [0,1,1,0,0,0|2,0,0]=4 1233 B6R1.4 CC1C(CN1)O TS92907 [0,1,0,0,1,0|1,1,0]=4 1234 B6R1.5 C1C(CC1=O)Br TS90589 [0,1,0,0,1,0|0,1,1]=4 1235 B6R1.5 C1C(CC1=O)F TS92277 [0,1,0,0,1,0|0,1,1]=4 1236 B6R1.5 C1C(CC1=O)N TS88191 [0,1,0,0,1,0|0,1,1]=4 1237 B6R1.5 C1C(CC1F)N TS88693 [0,1,0,0,1,0|1,0,0]=3 1238 B6R1.5 C1C(CC1F)N TS90804 [0,1,0,0,1,0|1,0,0]=3 1239 B6R1.5 C1C(CC1F)N TS91981 [0,1,0,0,1,0|1,0,0]=3 1240 B6R1.5 C1C(CC1F)N TS92456 [0,1,0,0,1,0|1,0,0]=3 1241 B6R1.5 C1C(CC1N)N TS85662 [0,1,0,0,1,0|1,0,0]=3 1242 B6R1.5 C1C(CC1O)N TS87393 [0,1,0,0,1,0|0,1,0]=3 1243 B6R1.5 C1[C@@H](C[C@@H]1N)N TS92858 [0,1,0,0,1,0|1,0,0]=3 1244 B6R1.5 C1[C@@H](C[C@@H]1N)O TS01386 [0,1,0,0,1,0|0,1,0]=3 1245 B6R1.5 C1[C@@H](C[C@@H]1N)O TS85827 [0,1,0,0,1,0|0,1,0]=3 1246 B6R1.5 C1[C@@H](C[C@@H]1O)F TS92355 [0,1,0,0,1,0|0,1,0]=3 1247 B6R1.5 C1[C@@H](C[C@H]1N)N TS92784 [0,1,0,0,1,0|1,0,0]=3 1248 B6R1.5 C1[C@@H](C[C@H]1N)O TS59458 [0,1,0,0,1,0|0,1,0]=3 1249 B6R1.5 C1[C@@H](C[C@H]1N)O TS86662 [0,1,0,0,1,0|0,1,0]=3 1250 B6R1.5 C1[C@@H](C[C@H]1N)O TS87898 [0,1,0,0,1,0|0,1,0]=3 1251 B6R1.5 C1[C@@H](C[C@H]1O)F TS89804 [0,1,0,0,1,0|0,1,0]=3 1252 B6R1.5 CN1CC(C1)N TS07739 [0,1,0,0,1,0|2,0,0]=4 1253 B6R1.5 CN1CC(C1)N TS88962 [0,1,0,0,1,0|2,0,0]=4 1254 B6R1.5 CN1CC(C1)O TS90519 [0,1,0,0,1,0|1,1,0]=4 1255 B6R1.6 C1C(CN1)C#N TS04769 [0,1,0,0,1,0|2,0,0]=4 1256 B6R1.6 C1C(CN1)CO TS91597 [0,1,0,0,1,0|1,1,0]=4 1257 B6R1.6 C1C(CO1)CI TS85854 [0,1,0,0,1,0|2,0,0]=4 1258 B6R1.6 C1C(CO1)CN TS89704 [0,1,0,0,1,0|2,0,0]=4 1259 B6R1.6 C1C(CO1)CO TS90138 [0,1,0,0,1,0|1,1,0]=4 1260 B6R1.6 C1C(CS1)CN TS87824 [0,1,0,0,1,0|2,0,0]=4 1261 B6R1.6 C1CC(C1)C#N TS03443 [0,1,0,0,1,0|1,0,0]=3 1262 B6R1.6 C1CC(C1)C=O TS03489 [0,1,0,0,1,0|0,1,0]=3 1263 B6R1.6 C1CC(C1)CBr TS07532 [0,1,0,0,1,0|1,0,0]=3 1264 B6R1.6 C1CC(C1)CN TS89840 [0,1,0,0,1,0|1,0,0]=3 1265 B6R1.6 C1CC(C1)CO TS71752 [0,1,0,0,1,0|0,1,0]=3 1266 B6R1.6 C1CC(C1)NN TS01400 [0,1,0,0,1,0|1,0,0]=3 1267 B6R1.6 C1CC(C1)NN TS03544 [0,1,0,0,1,0|1,0,0]=3 1268 B6R1.6 C1CNC1CN TS01756 [0,1,0,0,1,0|2,0,0]=4 1269 B6R1.6 C1CNC1CO TS88277 [0,1,0,0,1,0|1,1,0]=4 1270 B6R1.6 C1CN[C@H]1CO TS86313 [0,1,0,0,1,0|1,1,0]=4 1271 B6R1.6 C1COC1CBr TS40968 [0,1,0,0,1,0|2,0,0]=4 1272 B6R1.6 C1COC1CI TS91254 [0,1,0,0,1,0|2,0,0]=4 1273 B6R1.6 C1COC1CN TS86216 [0,1,0,0,1,0|2,0,0]=4 1274 B6R1.6 C1COC1CO TS88229 [0,1,0,0,1,0|1,1,0]=4 1275 B6R1.6 CCC1CCC1 TS71715 [0,1,0,0,1,0|1,0,0]=3 1276 B6R1.6 CNC1CNC1 TS03543 [0,1,0,0,1,0|2,0,0]=4 1277 B6R1.6 CNC1COC1 TS89249 [0,1,0,0,1,0|2,0,0]=4 1278 B6R1.6 COC1CNC1 TS02818 [0,1,0,0,1,0|1,1,0]=4 1279 B6R1.6 COC1CSC1 TS31679 [0,1,0,0,1,0|1,1,0]=4 1280 B6R1.10 C1C(CN1)(F)F TS32924 [0,1,0,0,1,0|2,0,0]=4 1281 B6R1.10 C1CS(=O)(=O)C1 TS04092 [0,1,0,0,1,0|1,1,0]=4 1282 B6R1.10 C1C[Si](C1)(Cl)Cl TS06558 [0,1,0,0,1,0|1,1,0]=4 1283 B6R1.10 CC1(CCC1)N TS03516 [0,1,0,0,1,0|1,0,0]=3 1284 B6R1.10 CC1(CNC1)C TS92077 [0,1,0,0,1,0|2,0,0]=4 1285 B6R1.10 CC1(CNC1)F TS91843 [0,1,0,0,1,0|2,0,0]=4 1286 B6R1.10 CC1(CNC1)N TS87747 [0,1,0,0,1,0|2,0,0]=4 1287 B6R1.10 CC1(CNC1)O TS89652 [0,1,0,0,1,0|1,1,0]=4 1288 B6R1.10 CC1(COC1)N TS03565 [0,1,0,0,1,0|2,0,0]=4 1289 B6R1.10 CC1(COC1)O TS86475 [0,1,0,0,1,0|1,1,0]=4 1290 B6R1.10 C[Si]1(CCC1)C TS03887 [0,1,0,0,1,0|1,1,0]=4 1291 B6R1.10 C[Si]1(CCC1)Cl TS04848 [0,1,0,0,1,0|1,1,0]=4 1292 B8R1.2 C#CC1CCCNC1 TS89660 [0,1,0,0,0,1|1,0,0]=3 1293 B8R1.2 C#CC1CCCOC1 TS85837 [0,1,0,0,0,1|1,0,0]=3 1294 B8R1.2 C#CC1CCNCC1 TS87859 [0,1,0,0,0,1|1,0,0]=3 1295 B8R1.2 C#CC1CCOCC1 TS89052 [0,1,0,0,0,1|1,0,0]=3 1296 B8R1.2 C#CC1CCSCC1 TS92849 [0,1,0,0,0,1|1,0,0]=3 1297 B8R1.2 C1CC(CC=C1)C#N TS04114 [0,1,0,0,0,1|1,0,1]=4 1298 B8R1.2 C1CC(CC=C1)C=O TS60200 [0,1,0,0,0,1|0,1,1]=4 1299 B8R1.2 C1CC(CC=C1)CO TS31925 [0,1,0,0,0,1|0,1,1]=4 1300 B8R1.2 C1CC(CC=C1)CO TS93417 [0,1,0,0,0,1|0,1,1]=4 1301 B8R1.2 C1CC(CNC1)C#N TS00184 [0,1,0,0,0,1|1,0,0]=3 1302 B8R1.2 C1CC(CNC1)C#N TS07292 [0,1,0,0,0,1|1,0,0]=3 1303 B8R1.2 C1CC(CNC1)CO TS88392 [0,1,0,0,0,1|0,1,0]=3 1304 B8R1.2 C1CC(COC1)C=O TS16821 [0,1,0,0,0,1|0,1,0]=3 1305 B8R1.2 C1CC(COC1)CBr TS86643 [0,1,0,0,0,1|1,0,0]=3 1306 B8R1.2 C1CC(COC1)CN TS46681 [0,1,0,0,0,1|1,0,0]=3 1307 B8R1.2 C1CC(COC1)CO TS86137 [0,1,0,0,0,1|0,1,0]=3 1308 B8R1.2 C1CCC(=CC1)C#N TS04115 [0,1,0,0,0,1|1,0,1]=4 1309 B8R1.2 C1CCC(=CC1)C=O TS31838 [0,1,0,0,0,1|0,1,1]=4 1310 B8R1.2 C1CCC(=CC1)CBr TS90142 [0,1,0,0,0,1|1,0,1]=4 1311 B8R1.2 C1CCC(=NO)CC1 TS04394 [0,1,0,0,0,1|0,1,1]=4 1312 B8R1.2 C1CCC(CC1)C#N TS31808 [0,1,0,0,0,1|1,0,0]=3 1313 B8R1.2 C1CCC(CC1)C#N TS40668 [0,1,0,0,0,1|1,0,0]=3 1314 B8R1.2 C1CCC(CC1)C=O TS01404 [0,1,0,0,0,1|0,1,0]=3 1315 B8R1.2 C1CCC(CC1)CBr TS46572 [0,1,0,0,0,1|1,0,0]=3 1316 B8R1.2 C1CCC(CC1)CCl TS36740 [0,1,0,0,0,1|1,0,0]=3 1317 B8R1.2 C1CCC(CC1)CN TS04402 [0,1,0,0,0,1|1,0,0]=3 1318 B8R1.2 C1CCC(CC1)CO TS04473 [0,1,0,0,0,1|0,1,0]=3 1319 B8R1.2 C1CCC(CC1)CS TS05617 [0,1,0,0,0,1|0,0,0]=2 1320 B8R1.2 C1CCC(CC1)NO TS10098 [0,1,0,0,0,1|0,1,0]=3 1321 B8R1.2 C1CCC(CC1)[Mg]Br TS50598 [0,1,0,0,0,1|1,0,0]=3 1322 B8R1.2 C1CCC(CC1)[Mg]Cl TS06810 [0,1,0,0,0,1|1,0,0]=3 1323 B8R1.2 C1CCN(CC1)C#N TS04210 [0,1,0,0,0,1|2,0,0]=4 1324 B8R1.2 C1CCN(CC1)C=O TS56398 [0,1,0,0,0,1|1,1,0]=4 1325 B8R1.2 C1CCN(CC1)CCl TS05849 [0,1,0,0,0,1|2,0,0]=4 1326 B8R1.2 C1CCN(CC1)CO TS32161 [0,1,0,0,0,1|1,1,0]=4 1327 B8R1.2 C1CCN(CC1)N=O TS01612 [0,1,0,0,0,1|1,1,0]=4 1328 B8R1.2 C1CCNC(C1)C#N TS85344 [0,1,0,0,0,1|1,0,0]=3 1329 B8R1.2 C1CCNC(C1)C=O TS04396 [0,1,0,0,0,1|0,1,0]=3 1330 B8R1.2 C1CCNC(C1)CN TS02462 [0,1,0,0,0,1|1,0,0]=3 1331 B8R1.2 C1CCNC(C1)CO TS02460 [0,1,0,0,0,1|0,1,0]=3 1332 B8R1.2 C1CCOC(C1)CCl TS05953 [0,1,0,0,0,1|1,0,0]=3 1333 B8R1.2 C1CCOC(C1)CN TS59436 [0,1,0,0,0,1|1,0,0]=3 1334 B8R1.2 C1CCOC(C1)CN TS59437 [0,1,0,0,0,1|1,0,0]=3 1335 B8R1.2 C1CCOC(C1)CO TS59577 [0,1,0,0,0,1|0,1,0]=3 1336 B8R1.2 C1CCOC(C1)ON TS59328 [0,1,0,0,0,1|0,1,0]=3 1337 B8R1.2 C1CN(CCN1)C=O TS00443 [0,1,0,0,0,1|1,1,0]=4 1338 B8R1.2 C1CN(CCN1)CO TS04601 [0,1,0,0,0,1|1,1,0]=4 1339 B8R1.2 C1CNC(CN1)C#N TS59351 [0,1,0,0,0,1|2,0,0]=4 1340 B8R1.2 C1CNCCC1C#N TS03067 [0,1,0,0,0,1|1,0,0]=3 1341 B8R1.2 C1CNCCC1C#N TS07290 [0,1,0,0,0,1|1,0,0]=3 1342 B8R1.2 C1CNCCC1C=O TS59355 [0,1,0,0,0,1|0,1,0]=3 1343 B8R1.2 C1CNCCC1CF TS86720 [0,1,0,0,0,1|1,0,0]=3 1344 B8R1.2 C1CNCCC1CN TS16890 [0,1,0,0,0,1|1,0,0]=3 1345 B8R1.2 C1CNCCC1CO TS85529 [0,1,0,0,0,1|0,1,0]=3 1346 B8R1.2 C1CN[C@@H](CN1)CO TS50857 [0,1,0,0,0,1|1,1,0]=4 1347 B8R1.2 C1COC(CN1)C#N TS59804 [0,1,0,0,0,1|2,0,0]=4 1348 B8R1.2 C1COC(CN1)CN TS86947 [0,1,0,0,0,1|2,0,0]=4 1349 B8R1.2 C1COC(CN1)CO TS55399 [0,1,0,0,0,1|1,1,0]=4 1350 B8R1.2 C1COC(CO1)CI TS52574 [0,1,0,0,0,1|2,0,0]=4 1351 B8R1.2 C1COC(CO1)CN TS08685 [0,1,0,0,0,1|2,0,0]=4 1352 B8R1.2 C1COCC(N1)CO TS02790 [0,1,0,0,0,1|1,1,0]=4 1353 B8R1.2 C1COCC(N1)CO TS41317 [0,1,0,0,0,1|1,1,0]=4 1354 B8R1.2 C1COCCC1C#N TS16666 [0,1,0,0,0,1|1,0,0]=3 1355 B8R1.2 C1COCCC1C=O TS59439 [0,1,0,0,0,1|0,1,0]=3 1356 B8R1.2 C1COCCC1CBr TS16902 [0,1,0,0,0,1|1,0,0]=3 1357 B8R1.2 C1COCCC1CI TS24100 [0,1,0,0,0,1|1,0,0]=3 1358 B8R1.2 C1COCCC1CN TS03003 [0,1,0,0,0,1|1,0,0]=3 1359 B8R1.2 C1COCCC1CN TS07685 [0,1,0,0,0,1|1,0,0]=3 1360 B8R1.2 C1COCCC1CO TS59440 [0,1,0,0,0,1|0,1,0]=3 1361 B8R1.2 C1COCCC1NN TS41226 [0,1,0,0,0,1|1,0,0]=3 1362 B8R1.2 C1COCCC1NN TS87156 [0,1,0,0,0,1|1,0,0]=3 1363 B8R1.2 C1COCCN1C#N TS04286 [0,1,0,0,0,1|2,0,0]=4 1364 B8R1.2 C1COCCN1C=O TS34591 [0,1,0,0,0,1|1,1,0]=4 1365 B8R1.2 C1COCCN1CCl TS06024 [0,1,0,0,0,1|2,0,0]=4 1366 B8R1.2 C1COCCN1CI TS24306 [0,1,0,0,0,1|2,0,0]=4 1367 B8R1.2 C1COCCN1N=O TS04571 [0,1,0,0,0,1|1,1,0]=4 1368 B8R1.2 C1COC[C@@H](N1)CO TS41310 [0,1,0,0,0,1|1,1,0]=4 1369 B8R1.2 C1COC[C@H](N1)CO TS32280 [0,1,0,0,0,1|1,1,0]=4 1370 B8R1.2 C1CO[C@@H](CN1)CO TS32281 [0,1,0,0,0,1|1,1,0]=4 1371 B8R1.2 C1CO[C@H](CN1)CO TS46590 [0,1,0,0,0,1|1,1,0]=4 1372 B8R1.2 C1CSC(CS1)C#N TS40348 [0,1,0,0,0,1|2,0,0]=4 1373 B8R1.2 C1CSCCC1C#N TS90376 [0,1,0,0,0,1|1,0,0]=3 1374 B8R1.2 C1CSCCC1CN TS91963 [0,1,0,0,0,1|1,0,0]=3 1375 B8R1.2 C1CSCCC1CO TS90016 [0,1,0,0,0,1|0,1,0]=3 1376 B8R1.2 C1C[C@@H](CNC1)C#N TS92391 [0,1,0,0,0,1|1,0,0]=3 1377 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [0,1,0,0,0,1|0,1,0]=3 1378 B8R1.2 C1C[C@H](CNC1)C#N TS92378 [0,1,0,0,0,1|1,0,0]=3 1379 B8R1.2 C1C[C@H](CNC1)CO TS46591 [0,1,0,0,0,1|0,1,0]=3 1380 B8R1.2 CCC1=CCCCC1 TS31842 [0,1,0,0,0,1|1,0,1]=4 1381 B8R1.2 CCC1CCCCC1 TS04342 [0,1,0,0,0,1|1,0,0]=3 1382 B8R1.2 CCC1CCCCN1 TS04398 [0,1,0,0,0,1|1,0,0]=3 1383 B8R1.2 CCC1CNCCN1 TS55315 [0,1,0,0,0,1|2,0,0]=4 1384 B8R1.2 CCN1CCCCC1 TS00439 [0,1,0,0,0,1|2,0,0]=4 1385 B8R1.2 CCN1CCCCC1 TS32031 [0,1,0,0,0,1|2,0,0]=4 1386 B8R1.2 CCN1CCNCC1 TS04487 [0,1,0,0,0,1|2,0,0]=4 1387 B8R1.2 CCN1CCOCC1 TS32166 [0,1,0,0,0,1|2,0,0]=4 1388 B8R1.2 CC[C@@H]1CNCCN1 TS04491 [0,1,0,0,0,1|2,0,0]=4 1389 B8R1.2 CC[C@@H]1CNCCN1 TS49029 [0,1,0,0,0,1|2,0,0]=4 1390 B8R1.2 CNC1CCCCC1 TS08095 [0,1,0,0,0,1|1,0,0]=3 1391 B8R1.2 CNC1CCCNC1 TS77173 [0,1,0,0,0,1|1,0,0]=3 1392 B8R1.2 CNC1CCOCC1 TS01608 [0,1,0,0,0,1|1,0,0]=3 1393 B8R1.2 CNC1CCOCC1 TS41077 [0,1,0,0,0,1|1,0,0]=3 1394 B8R1.2 COC1=CCCCC1 TS04308 [0,1,0,0,0,1|0,1,1]=4 1395 B8R1.2 COC1=NCCCC1 TS04387 [0,1,0,0,0,1|0,1,1]=4 1396 B8R1.2 COC1CCCC=C1 TS31935 [0,1,0,0,0,1|0,1,1]=4 1397 B8R1.2 COC1CCCCC1 TS32092 [0,1,0,0,0,1|0,1,0]=3 1398 B8R1.2 COC1CCCNC1 TS86602 [0,1,0,0,0,1|0,1,0]=3 1399 B8R1.2 COC1CCNCC1 TS03162 [0,1,0,0,0,1|0,1,0]=3 1400 B8R1.2 COC1CCNCC1 TS10095 [0,1,0,0,0,1|0,1,0]=3 1401 B8R1.2 CO[C@@H]1CCCNC1 TS90956 [0,1,0,0,0,1|0,1,0]=3 1402 B8R1.2 CO[C@@H]1CCCNC1 TS90967 [0,1,0,0,0,1|0,1,0]=3 1403 B8R1.2 CO[C@H]1CCCNC1 TS86418 [0,1,0,0,0,1|0,1,0]=3 1404 B8R1.2 CO[C@H]1CCCNC1 TS90968 [0,1,0,0,0,1|0,1,0]=3 1405 B8R1.2 CSC1=NCCCN1 TS68095 [0,1,0,0,0,1|1,0,1]=4 1406 B8R1.2 CSC1=NCCCS1 TS40582 [0,1,0,0,0,1|1,0,1]=4 1407 B8R1.2 CSC1CCCCC1 TS05616 [0,1,0,0,0,1|0,0,0]=2 1408 B8R1.2 CSC1CCNCC1 TS88660 [0,1,0,0,0,1|0,0,0]=2 1409 B8R1.2 [C-]#[N+]C1CCCCC1 TS34562 [0,1,0,0,0,1|1,0,0]=3 1410 B8R1.3 B=[O+2]1CCN(CC1)C TS32140 [0,1,0,0,0,1|2,0,0]=4 1411 B8R1.3 C1C(OCC(O1)O)O TS02136 [0,1,0,0,0,1|1,1,0]=4 1412 B8R1.3 C1C(SCC(S1)O)O TS41188 [0,1,0,0,0,1|1,1,0]=4 1413 B8R1.3 C1C(SCC(S1)O)O TS93769 [0,1,0,0,0,1|1,1,0]=4 1414 B8R1.3 C1CC(=O)CCC1=O TS39842 [0,1,0,0,0,1|0,1,1]=4 1415 B8R1.3 C1CC(=O)CCC1O TS94873 [0,1,0,0,0,1|0,1,0]=3 1416 B8R1.3 C1CC(=O)NCC1N TS88548 [0,1,0,0,0,1|0,1,1]=4 1417 B8R1.3 C1CC(CCC1Br)Br TS26770 [0,1,0,0,0,1|1,0,0]=3 1418 B8R1.3 C1CC(CCC1Cl)Cl TS10276 [0,1,0,0,0,1|1,0,0]=3 1419 B8R1.3 C1CC(CCC1N)N TS04489 [0,1,0,0,0,1|1,0,0]=3 1420 B8R1.3 C1CC(CCC1N)O TS02991 [0,1,0,0,0,1|0,1,0]=3 1421 B8R1.3 C1CC(CCC1N)O TS93903 [0,1,0,0,0,1|0,1,0]=3 1422 B8R1.3 C1CC(CCC1O)Cl TS05955 [0,1,0,0,0,1|0,1,0]=3 1423 B8R1.3 C1CC(CCC1O)O TS32227 [0,1,0,0,0,1|0,1,0]=3 1424 B8R1.3 C1CC(NCC1Cl)N TS05956 [0,1,0,0,0,1|1,0,0]=3 1425 B8R1.3 C1C[C@@H](C=C[C@H]1O)O TS32069 [0,1,0,0,0,1|0,1,1]=4 1426 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N TS93779 [0,1,0,0,0,1|0,1,0]=3 1427 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O TS89848 [0,1,0,0,0,1|0,1,0]=3 1428 B8R1.3 C1[C@@H](CC[C@H](C1)Cl)Cl TS10278 [0,1,0,0,0,1|1,0,0]=3 1429 B8R1.3 C1[C@@H](CC[C@H](C1)N)N TS59454 [0,1,0,0,0,1|1,0,0]=3 1430 B8R1.3 C1[C@@H](CC[C@H](C1)O)O TS32222 [0,1,0,0,0,1|0,1,0]=3 1431 B8R1.3 C=C1CCC(=C)CC1 TS04140 [0,1,0,0,0,1|1,0,1]=4 1432 B8R1.3 CC1CCC(=O)CC1 TS39765 [0,1,0,0,0,1|1,0,0]=3 1433 B8R1.3 CC1CCC(CC1)Br TS46222 [0,1,0,0,0,1|1,0,0]=3 1434 B8R1.3 CC1CCC(CC1)Cl TS36737 [0,1,0,0,0,1|1,0,0]=3 1435 B8R1.3 CC1CCC(CC1)O TS32101 [0,1,0,0,0,1|0,1,0]=3 1436 B8R1.3 CC1CCN(CC1)N TS04493 [0,1,0,0,0,1|1,0,0]=3 1437 B8R1.3 CC1CNC(CN1)C TS04496 [0,1,0,0,0,1|2,0,0]=4 1438 B8R1.3 CN1CCC(=O)CC1 TS00486 [0,1,0,0,0,1|0,1,1]=4 1439 B8R1.3 CN1CCC(CC1)N TS91071 [0,1,0,0,0,1|1,0,0]=3 1440 B8R1.3 CN1CCC(CC1)O TS00485 [0,1,0,0,0,1|0,1,0]=3 1441 B8R1.3 CN1CCC(CC1)O TS87606 [0,1,0,0,0,1|0,1,0]=3 1442 B8R1.3 CN1CCN(CC1)C TS04488 [0,1,0,0,0,1|2,0,0]=4 1443 B8R1.3 CN1CCN(CC1)N TS04541 [0,1,0,0,0,1|2,0,0]=4 1444 B8R1.3 C[C@@H]1CN[C@H](CN1)C TS32116 [0,1,0,0,0,1|2,0,0]=4 1445 B8R1.3 C[C@H]1CC[C@@H](CC1)C TS31961 [0,1,0,0,0,1|1,0,0]=3 1446 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS40806 [0,1,0,0,0,1|1,0,0]=3 1447 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS94786 [0,1,0,0,0,1|1,0,0]=3 1448 B8R1.3 C[C@H]1CC[C@@H](CC1)O TS32104 [0,1,0,0,0,1|0,1,0]=3 1449 B8R1.3 C[C@H]1CC[C@@H](NC1)C TS04401 [0,1,0,0,0,1|1,0,0]=3 1450 B8R1.3 C[C@H]1CC[C@H](CC1)C TS04337 [0,1,0,0,0,1|1,0,0]=3 1451 B8R1.3 C[C@H]1CC[C@H](CC1)N TS40803 [0,1,0,0,0,1|1,0,0]=3 1452 B8R1.3 C[C@H]1CC[C@H](CC1)O TS32107 [0,1,0,0,0,1|0,1,0]=3 1453 B8R1.3 C[C@H]1CN[C@H](CN1)C TS55821 [0,1,0,0,0,1|2,0,0]=4 1454 B8R1.4 C1C(CNCC1Br)Br TS26943 [0,1,0,0,0,1|1,0,0]=3 1455 B8R1.4 C1CC(=O)CC(=O)C1 TS39841 [0,1,0,0,0,1|0,1,1]=4 1456 B8R1.4 C1CC(CC(C1)O)N TS65882 [0,1,0,0,0,1|0,1,0]=3 1457 B8R1.4 C1CC(CC(C1)O)O TS32206 [0,1,0,0,0,1|0,1,0]=3 1458 B8R1.4 C1CC(NC(C1)Br)Br TS26942 [0,1,0,0,0,1|1,0,0]=3 1459 B8R1.4 C1CNC(=O)CC1N TS02971 [0,1,0,0,0,1|0,1,1]=4 1460 B8R1.4 C1CNC(=O)CC1O TS03134 [0,1,0,0,0,1|0,1,1]=4 1461 B8R1.4 C1CNC(=O)C[C@@H]1O TS04536 [0,1,0,0,0,1|0,1,1]=4 1462 B8R1.4 CC1=CC(CCC1)O TS31949 [0,1,0,0,0,1|0,1,1]=4 1463 B8R1.4 CC1CC(=O)CCN1 TS59976 [0,1,0,0,0,1|0,1,1]=4 1464 B8R1.4 CC1CC(=O)CCO1 TS87534 [0,1,0,0,0,1|0,1,1]=4 1465 B8R1.4 CC1CC(CCN1)O TS85562 [0,1,0,0,0,1|0,1,0]=3 1466 B8R1.4 CC1CC(CCO1)O TS88683 [0,1,0,0,0,1|0,1,0]=3 1467 B8R1.4 CC1CC(CNC1)C TS65817 [0,1,0,0,0,1|1,0,0]=3 1468 B8R1.4 CC1CCCC(=C1)C TS48310 [0,1,0,0,0,1|1,0,1]=4 1469 B8R1.4 CC1CCCC(=O)O1 TS04447 [0,1,0,0,0,1|0,1,1]=4 1470 B8R1.4 CC1CCCC(C1)C TS04353 [0,1,0,0,0,1|1,0,0]=3 1471 B8R1.4 CC1CCCC(C1)C TS06754 [0,1,0,0,0,1|1,0,0]=3 1472 B8R1.4 CC1CCCC(N1)C TS00705 [0,1,0,0,0,1|1,0,0]=3 1473 B8R1.4 CC1CCNC(=N)C1 TS45483 [0,1,0,0,0,1|1,0,1]=4 1474 B8R1.4 CC1CCNC(C1)C TS07699 [0,1,0,0,0,1|1,0,0]=3 1475 B8R1.4 CC1CCOC(=O)C1 TS32063 [0,1,0,0,0,1|0,1,1]=4 1476 B8R1.4 CC1CCOC(O1)C TS32215 [0,1,0,0,0,1|2,0,0]=4 1477 B8R1.4 CC1CNCC(N1)C TS00704 [0,1,0,0,0,1|2,0,0]=4 1478 B8R1.4 CC1CNCC(O1)C TS32156 [0,1,0,0,0,1|2,0,0]=4 1479 B8R1.4 CN1CCCC(=O)C1 TS46998 [0,1,0,0,0,1|0,1,1]=4 1480 B8R1.4 CN1CCCC(C1)N TS46440 [0,1,0,0,0,1|1,0,0]=3 1481 B8R1.4 CN1CCCC(C1)O TS32155 [0,1,0,0,0,1|0,1,0]=3 1482 B8R1.4 CN1CCC[C@@H](C1)N TS89342 [0,1,0,0,0,1|1,0,0]=3 1483 B8R1.4 CN1CCC[C@@H](C1)N TS90187 [0,1,0,0,0,1|1,0,0]=3 1484 B8R1.4 CN1CCC[C@@H](C1)O TS90969 [0,1,0,0,0,1|0,1,0]=3 1485 B8R1.4 CN1CCC[C@H](C1)N TS91342 [0,1,0,0,0,1|1,0,0]=3 1486 B8R1.4 CN1CCC[C@H](C1)O TS90931 [0,1,0,0,0,1|0,1,0]=3 1487 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [0,1,0,0,0,1|0,1,1]=4 1488 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [0,1,0,0,0,1|1,0,0]=3 1489 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [0,1,0,0,0,1|0,1,1]=4 1490 B8R1.4 C[C@@H]1CCC[C@@H](N1)C TS55822 [0,1,0,0,0,1|1,0,0]=3 1491 B8R1.4 C[C@@H]1CNC[C@@H](O1)C TS90636 [0,1,0,0,0,1|2,0,0]=4 1492 B8R1.4 C[C@@H]1CNC[C@H](O1)C TS88923 [0,1,0,0,0,1|2,0,0]=4 1493 B8R1.4 C[C@@H]1COC[C@@H](N1)C TS88648 [0,1,0,0,0,1|2,0,0]=4 1494 B8R1.4 C[C@@H]1C[C@@H](CCN1)O TS92594 [0,1,0,0,0,1|0,1,0]=3 1495 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [0,1,0,0,0,1|0,1,1]=4 1496 B8R1.4 C[C@H]1C[C@H](CCN1)O TS91872 [0,1,0,0,0,1|0,1,0]=3 1497 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,1,0,0,0,1|0,1,1]=4 1498 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,1,0,0,0,1|0,1,1]=4 1499 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [0,1,0,0,0,1|0,1,1]=4 1500 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,1,0,0,0,1|1,0,0]=3 1501 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,1,0,0,0,1|1,0,0]=3 1502 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,1,0,0,0,1|0,1,0]=3 1503 B8R1.5 C1CCC(C(C1)Br)Br TS26769 [0,1,0,0,0,1|1,0,0]=3 1504 B8R1.5 C1CCC(C(C1)F)Br TS48027 [0,1,0,0,0,1|1,0,0]=3 1505 B8R1.5 C1CCC(C(C1)N)N TS21352 [0,1,0,0,0,1|1,0,0]=3 1506 B8R1.5 C1CCC(C(C1)N)N TS67173 [0,1,0,0,0,1|1,0,0]=3 1507 B8R1.5 C1CCC(C(C1)O)Cl TS05949 [0,1,0,0,0,1|0,1,0]=3 1508 B8R1.5 C1CCC(C(C1)O)O TS32216 [0,1,0,0,0,1|0,1,0]=3 1509 B8R1.5 C1CCN(C(=O)C1)N TS32084 [0,1,0,0,0,1|0,1,1]=4 1510 B8R1.5 C1CC[C@@H]([C@@H](C1)Cl)Cl TS10277 [0,1,0,0,0,1|1,0,0]=3 1511 B8R1.5 C1CC[C@@H]([C@@H](C1)N)N TS04490 [0,1,0,0,0,1|1,0,0]=3 1512 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O TS32224 [0,1,0,0,0,1|0,1,0]=3 1513 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS07988 [0,1,0,0,0,1|1,0,0]=3 1514 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS22908 [0,1,0,0,0,1|1,0,0]=3 1515 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS93093 [0,1,0,0,0,1|1,0,0]=3 1516 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS10097 [0,1,0,0,0,1|0,1,0]=3 1517 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS32157 [0,1,0,0,0,1|0,1,0]=3 1518 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br TS26767 [0,1,0,0,0,1|1,0,0]=3 1519 B8R1.5 C1CC[C@H]([C@@H](C1)Cl)Cl TS10275 [0,1,0,0,0,1|1,0,0]=3 1520 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS01623 [0,1,0,0,0,1|1,0,0]=3 1521 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS09980 [0,1,0,0,0,1|1,0,0]=3 1522 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93516 [0,1,0,0,0,1|1,0,0]=3 1523 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93952 [0,1,0,0,0,1|1,0,0]=3 1524 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS22861 [0,1,0,0,0,1|0,1,0]=3 1525 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS41076 [0,1,0,0,0,1|0,1,0]=3 1526 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS46605 [0,1,0,0,0,1|0,1,0]=3 1527 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS94619 [0,1,0,0,0,1|0,1,0]=3 1528 B8R1.5 C1CC[C@H]([C@@H](C1)O)O TS32205 [0,1,0,0,0,1|0,1,0]=3 1529 B8R1.5 C1CC[C@H]([C@H](C1)N)O TS29487 [0,1,0,0,0,1|0,1,0]=3 1530 B8R1.5 C1CNCC(C1=O)Br TS60337 [0,1,0,0,0,1|0,1,1]=4 1531 B8R1.5 C1CNCC(C1=O)F TS88150 [0,1,0,0,0,1|0,1,1]=4 1532 B8R1.5 C1CNC[C@H]([C@@H]1F)F TS92380 [0,1,0,0,0,1|1,0,0]=3 1533 B8R1.5 C1CNC[C@H]([C@@H]1F)O TS90614 [0,1,0,0,0,1|0,1,0]=3 1534 B8R1.5 C1CNC[C@H]([C@@H]1O)F TS92239 [0,1,0,0,0,1|0,1,0]=3 1535 B8R1.5 C1CNC[C@H]([C@H]1F)F TS92601 [0,1,0,0,0,1|1,0,0]=3 1536 B8R1.5 C1CNC[C@H]([C@H]1O)F TS92722 [0,1,0,0,0,1|0,1,0]=3 1537 B8R1.5 C1COC(C(O1)Cl)Cl TS10810 [0,1,0,0,0,1|2,0,0]=4 1538 B8R1.5 C1COC(C(O1)O)O TS32409 [0,1,0,0,0,1|1,1,0]=4 1539 B8R1.5 C1COCC(C1=O)Br TS87523 [0,1,0,0,0,1|0,1,1]=4 1540 B8R1.5 C1COCC(C1=O)F TS90072 [0,1,0,0,0,1|0,1,1]=4 1541 B8R1.5 C1COC[C@@H]([C@H]1O)N TS88734 [0,1,0,0,0,1|0,1,0]=3 1542 B8R1.5 C1COC[C@H]([C@@H]1N)O TS89107 [0,1,0,0,0,1|0,1,0]=3 1543 B8R1.5 C1COC[C@H]([C@@H]1O)N TS90817 [0,1,0,0,0,1|0,1,0]=3 1544 B8R1.5 C1COC[C@H]([C@H]1N)O TS90200 [0,1,0,0,0,1|0,1,0]=3 1545 B8R1.5 C1CO[C@H]([C@@H](O1)Cl)Cl TS10811 [0,1,0,0,0,1|2,0,0]=4 1546 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,1,0,0,0,1|0,1,1]=4 1547 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,1,0,0,0,1|0,1,1]=4 1548 B8R1.5 C1[C@H]([C@@H](CSS1)O)O TS33123 [0,1,0,0,0,1|1,1,0]=4 1549 B8R1.5 CC1=C(CCCC1)C TS31858 [0,1,0,0,0,1|1,0,1]=4 1550 B8R1.5 CC1CCCC=C1C TS31849 [0,1,0,0,0,1|1,0,1]=4 1551 B8R1.5 CC1CCCCC1=C TS31851 [0,1,0,0,0,1|1,0,0]=3 1552 B8R1.5 CC1CCCCC1=O TS01136 [0,1,0,0,0,1|1,0,0]=3 1553 B8R1.5 CC1CCCCC1C TS31973 [0,1,0,0,0,1|1,0,0]=3 1554 B8R1.5 CC1CCCCC1N TS32030 [0,1,0,0,0,1|1,0,0]=3 1555 B8R1.5 CC1CCCCC1O TS32109 [0,1,0,0,0,1|0,1,0]=3 1556 B8R1.5 CC1CCCNC1C TS22984 [0,1,0,0,0,1|1,0,0]=3 1557 B8R1.5 CC1CCNCC1=O TS92225 [0,1,0,0,0,1|0,1,1]=4 1558 B8R1.5 CC1CCNCC1O TS92278 [0,1,0,0,0,1|0,1,0]=3 1559 B8R1.5 CC1CNCCC1=O TS02832 [0,1,0,0,0,1|0,1,1]=4 1560 B8R1.5 CC1CNCCC1=O TS70671 [0,1,0,0,0,1|0,1,1]=4 1561 B8R1.5 CC1CNCCC1O TS03118 [0,1,0,0,0,1|0,1,0]=3 1562 B8R1.5 CC1CNCCN1C TS00350 [0,1,0,0,0,1|2,0,0]=4 1563 B8R1.5 CC1COCCC1=O TS89718 [0,1,0,0,0,1|0,1,1]=4 1564 B8R1.5 CN1CCCCC1=O TS04393 [0,1,0,0,0,1|0,1,1]=4 1565 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [0,1,0,0,0,1|1,0,0]=3 1566 B8R1.5 C[C@@H]1CCCC[C@H]1N TS04400 [0,1,0,0,0,1|1,0,0]=3 1567 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [0,1,0,0,0,1|0,1,0]=3 1568 B8R1.5 C[C@@H]1CCNC[C@@H]1O TS92055 [0,1,0,0,0,1|0,1,0]=3 1569 B8R1.5 C[C@@H]1CCNC[C@H]1O TS85847 [0,1,0,0,0,1|0,1,0]=3 1570 B8R1.5 C[C@@H]1CCNC[C@H]1O TS92197 [0,1,0,0,0,1|0,1,0]=3 1571 B8R1.5 C[C@@H]1COCC[C@@H]1N TS87953 [0,1,0,0,0,1|1,0,0]=3 1572 B8R1.5 C[C@@H]1COCC[C@H]1N TS90201 [0,1,0,0,0,1|1,0,0]=3 1573 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [0,1,0,0,0,1|0,1,0]=3 1574 B8R1.5 C[C@H]1CCNC[C@H]1O TS92848 [0,1,0,0,0,1|0,1,0]=3 1575 B8R1.72 C1CC(CNC1)(F)F TS16713 [0,1,0,0,0,1|1,0,0]=3 1576 B8R1.72 C1CCC(CC1)(F)F TS32422 [0,1,0,0,0,1|1,0,0]=3 1577 B8R1.72 C1CC[Si](CC1)(Cl)Cl TS44980 [0,1,0,0,0,1|1,1,0]=4 1578 B8R1.72 C1CNCCC1(F)F TS41835 [0,1,0,0,0,1|1,0,0]=3 1579 B8R1.72 C1CNCCC1(F)F TS90293 [0,1,0,0,0,1|1,0,0]=3 1580 B8R1.72 C1CS(=O)(=O)CCN1 TS01728 [0,1,0,0,0,1|1,1,0]=4 1581 B8R1.72 C1CS(=O)(=O)CCN1 TS46756 [0,1,0,0,0,1|1,1,0]=4 1582 B8R1.72 C1CS(=O)(=O)CCN1 TS87678 [0,1,0,0,0,1|1,1,0]=4 1583 B8R1.72 C1CS(=O)(=O)CCO1 TS36998 [0,1,0,0,0,1|1,1,0]=4 1584 B8R1.72 CC1(CCC=CC1)C TS04217 [0,1,0,0,0,1|1,0,1]=4 1585 B8R1.72 CC1(CCCCC1)O TS32093 [0,1,0,0,0,1|0,1,0]=3 1586 B8R1.72 CC1(CCCNC1)C TS04397 [0,1,0,0,0,1|1,0,0]=3 1587 B8R1.72 CC1(CCCNC1)C TS40807 [0,1,0,0,0,1|1,0,0]=3 1588 B8R1.72 CC1(CCCNC1)O TS91215 [0,1,0,0,0,1|0,1,0]=3 1589 B8R1.72 CC1(CCNCC1)C TS09562 [0,1,0,0,0,1|1,0,0]=3 1590 B8R1.72 CC1(CCNCC1)C TS86526 [0,1,0,0,0,1|1,0,0]=3 1591 B8R1.72 CC1(CCNCC1)O TS85719 [0,1,0,0,0,1|0,1,0]=3 1592 B8R1.72 CC1(CCNCC1)O TS91244 [0,1,0,0,0,1|0,1,0]=3 1593 B8R1.72 CC1(CCOCC1)N TS88636 [0,1,0,0,0,1|1,0,0]=3 1594 B8R1.72 CC1(CNCCN1)C TS47121 [0,1,0,0,0,1|2,0,0]=4 1595 B8R1.72 CC1(CNCCN1)C TS49030 [0,1,0,0,0,1|2,0,0]=4 1596 B8R1.72 CC1(COCOC1)C TS04592 [0,1,0,0,0,1|2,0,0]=4 1597 B8R1.72 C[N+]1(CCCCC1)C TS40805 [0,1,0,0,0,1|2,0,0]=4 1598 B8R1.72 C[Si]1(CCCCC1)C TS36373 [0,1,0,0,0,1|1,1,0]=4 1599 B8R1.72 C[Si]1(CCCCO1)C TS05625 [0,1,0,0,0,1|1,1,0]=4 1600 B8R1.1 CCC1CCC(=O)C1 TS31941 [0,2,0,0,0,0|0,1,1]=4 1601 B8R1.1 CCN1CCC(C1)O TS32153 [0,2,0,0,0,0|1,1,0]=4 1602 B8R1.1 CN1CCC(C1)CN TS88845 [0,2,0,0,0,0|2,0,0]=4 1603 B8R1.1 CN1CCC(C1)CO TS32163 [0,2,0,0,0,0|1,1,0]=4 1604 B8R1.1 CN1CC[C@@H](C1)CN TS91907 [0,2,0,0,0,0|2,0,0]=4 1605 B8R1.1 CN1CC[C@@H](C1)CO TS91738 [0,2,0,0,0,0|1,1,0]=4 1606 B8R1.1 CN1CC[C@H](C1)CN TS92039 [0,2,0,0,0,0|2,0,0]=4 1607 B8R1.1 CN1CC[C@H](C1)CO TS90974 [0,2,0,0,0,0|1,1,0]=4 1608 B8R1.1 CNC1CCN(C1)C TS04495 [0,2,0,0,0,0|2,0,0]=4 1609 B8R1.7 B(C1CCCC1)(O)O TS55826 [0,2,0,0,0,0|0,1,0]=3 1610 B8R1.7 C1CC(NC1)C(=O)N TS39860 [0,2,0,0,0,0|1,1,0]=4 1611 B8R1.7 C1CC(NC1)C(=O)O TS04527 [0,2,0,0,0,0|1,1,0]=4 1612 B8R1.7 C1CC(OC1)C(=O)O TS65650 [0,2,0,0,0,0|1,1,0]=4 1613 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [0,2,0,0,0,0|0,1,0]=3 1614 B8R1.7 C1CCC(C1)C(=O)N TS04395 [0,2,0,0,0,0|0,1,0]=3 1615 B8R1.7 C1CCC(C1)C(=O)O TS55824 [0,2,0,0,0,0|0,1,0]=3 1616 B8R1.7 C1CCN(C1)C(=N)N TS17769 [0,2,0,0,0,0|2,0,0]=4 1617 B8R1.7 C1CCN(C1)C(=N)N TS26633 [0,2,0,0,0,0|2,0,0]=4 1618 B8R1.7 C1CCN(C1)C(=O)Cl TS08208 [0,2,0,0,0,0|1,1,0]=4 1619 B8R1.7 C1CCN(C1)C(=S)N TS05578 [0,2,0,0,0,0|1,0,1]=4 1620 B8R1.7 C1CCN(C1)C(=S)S TS42816 [0,2,0,0,0,0|1,0,0]=3 1621 B8R1.7 C1CNCC1C(=O)N TS32074 [0,2,0,0,0,0|1,1,0]=4 1622 B8R1.7 C1CNCC1C(=O)N TS85947 [0,2,0,0,0,0|1,1,0]=4 1623 B8R1.7 C1CNCC1C(=O)O TS22734 [0,2,0,0,0,0|1,1,0]=4 1624 B8R1.7 C1CNC[C@@H]1C(=O)N TS86748 [0,2,0,0,0,0|1,1,0]=4 1625 B8R1.7 C1CNC[C@@H]1C(=O)O TS04526 [0,2,0,0,0,0|1,1,0]=4 1626 B8R1.7 C1CNC[C@H]1C(=O)N TS87104 [0,2,0,0,0,0|1,1,0]=4 1627 B8R1.7 C1CNC[C@H]1C(=O)N TS90204 [0,2,0,0,0,0|1,1,0]=4 1628 B8R1.7 C1CNC[C@H]1C(=O)O TS85658 [0,2,0,0,0,0|1,1,0]=4 1629 B8R1.7 C1COCC1C(=O)N TS88172 [0,2,0,0,0,0|1,1,0]=4 1630 B8R1.7 C1COCC1C(=O)O TS59430 [0,2,0,0,0,0|1,1,0]=4 1631 B8R1.7 C1COC[C@@H]1C(=O)O TS08087 [0,2,0,0,0,0|1,1,0]=4 1632 B8R1.7 C1COC[C@H]1C(=O)O TS32191 [0,2,0,0,0,0|1,1,0]=4 1633 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [0,2,0,0,0,0|1,1,0]=4 1634 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [0,2,0,0,0,0|1,1,0]=4 1635 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [0,2,0,0,0,0|1,1,0]=4 1636 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [0,2,0,0,0,0|1,1,0]=4 1637 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [0,2,0,0,0,0|1,1,0]=4 1638 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [0,2,0,0,0,0|1,1,0]=4 1639 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [0,2,0,0,0,0|1,1,0]=4 1640 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [0,2,0,0,0,0|1,1,0]=4 1641 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [0,2,0,0,0,0|1,1,0]=4 1642 B8R1.7 CC(=O)C1CCCC1 TS46943 [0,2,0,0,0,0|0,1,0]=3 1643 B8R1.7 CC(=O)C1CCCC1 TS52586 [0,2,0,0,0,0|0,1,0]=3 1644 B8R1.7 CC(=O)N1CCCC1 TS32010 [0,2,0,0,0,0|1,1,0]=4 1645 B8R1.7 CC(C)C1CCCC1 TS04356 [0,2,0,0,0,0|1,0,0]=3 1646 B8R1.7 CC(C)C1CCCC1 TS30326 [0,2,0,0,0,0|1,0,0]=3 1647 B8R1.7 CC(C)C1CCCC1 TS63820 [0,2,0,0,0,0|1,0,0]=3 1648 B8R1.7 CC(C)C1CCCC1 TS67054 [0,2,0,0,0,0|1,0,0]=3 1649 B8R1.7 CC(C)C1CCCC1 TS72215 [0,2,0,0,0,0|1,0,0]=3 1650 B8R1.7 CC(C)C1CCCC1 TS73878 [0,2,0,0,0,0|1,0,0]=3 1651 B8R1.7 CC(C)C1CCCC1 TS74314 [0,2,0,0,0,0|1,0,0]=3 1652 B8R1.7 CC(C)C1CCCC1 TS82611 [0,2,0,0,0,0|1,0,0]=3 1653 B8R1.7 CC(C)C1CCCC1 TS82651 [0,2,0,0,0,0|1,0,0]=3 1654 B8R1.7 CC(C1CCCC1)O TS04475 [0,2,0,0,0,0|0,1,0]=3 1655 B8R1.7 CN(C)C1CCNC1 TS39291 [0,2,0,0,0,0|2,0,0]=4 1656 B8R1.7 CN(C)[C@@H]1CCNC1 TS32118 [0,2,0,0,0,0|2,0,0]=4 1657 B8R1.7 CN(C)[C@H]1CCNC1 TS04486 [0,2,0,0,0,0|2,0,0]=4 1658 B8R1.8 C#CCC1CCCC1 TS04146 [0,2,0,0,0,0|1,0,0]=3 1659 B8R1.8 C1CC(NC1)CCO TS91871 [0,2,0,0,0,0|1,1,0]=4 1660 B8R1.8 C1CCC(C1)CCN TS00978 [0,2,0,0,0,0|1,0,0]=3 1661 B8R1.8 C1CCC(C1)CCO TS04478 [0,2,0,0,0,0|0,1,0]=3 1662 B8R1.8 C1CCC(C1)N=C=O TS59760 [0,2,0,0,0,0|0,1,0]=3 1663 B8R1.8 C1CCC(C1)N=C=S TS36250 [0,2,0,0,0,0|0,0,1]=3 1664 B8R1.8 C1CCN(C1)CC#N TS04203 [0,2,0,0,0,0|2,0,0]=4 1665 B8R1.8 C1CCN(C1)CCBr TS46380 [0,2,0,0,0,0|2,0,0]=4 1666 B8R1.8 C1CCN(C1)CCN TS32117 [0,2,0,0,0,0|2,0,0]=4 1667 B8R1.8 C1CCN(C1)CCO TS32173 [0,2,0,0,0,0|1,1,0]=4 1668 B8R1.8 C1CNCC1CCO TS88089 [0,2,0,0,0,0|1,1,0]=4 1669 B8R1.8 C1CSCN1CCS TS07619 [0,2,0,0,0,0|2,0,0]=4 1670 B8R1.8 CCCC1CCCC1 TS31955 [0,2,0,0,0,0|1,0,0]=3 1671 B8R1.8 CCCC1CCCC1 TS57165 [0,2,0,0,0,0|1,0,0]=3 1672 B8R1.8 CCCC1CCCC1 TS67057 [0,2,0,0,0,0|1,0,0]=3 1673 B8R1.8 CCCC1CCCC1 TS69588 [0,2,0,0,0,0|1,0,0]=3 1674 B8R1.8 CCCC1CCCC1 TS69915 [0,2,0,0,0,0|1,0,0]=3 1675 B8R1.8 CCCC1CCCC1 TS72093 [0,2,0,0,0,0|1,0,0]=3 1676 B8R1.8 CCCC1CCCC1 TS72534 [0,2,0,0,0,0|1,0,0]=3 1677 B8R1.8 CCCC1CCCC1 TS81524 [0,2,0,0,0,0|1,0,0]=3 1678 B8R1.8 CCCC1CCCC1 TS82572 [0,2,0,0,0,0|1,0,0]=3 1679 B8R1.8 CCCC1CCCC1 TS82652 [0,2,0,0,0,0|1,0,0]=3 1680 B8R1.8 CCNC1CCNC1 TS04484 [0,2,0,0,0,0|2,0,0]=4 1681 B8R1.8 CCN[C@@H]1CCNC1 TS04494 [0,2,0,0,0,0|2,0,0]=4 1682 B8R1.8 CCN[C@H]1CCNC1 TS04485 [0,2,0,0,0,0|2,0,0]=4 1683 B8R1.8 CCOC1CCCO1 TS04591 [0,2,0,0,0,0|1,1,0]=4 1684 B8R1.8 CCO[C@@H]1CCNC1 TS85740 [0,2,0,0,0,0|1,1,0]=4 1685 B8R1.8 CCO[C@H]1CCNC1 TS90259 [0,2,0,0,0,0|1,1,0]=4 1686 B8R1.8 CNCC1CCCO1 TS32151 [0,2,0,0,0,0|2,0,0]=4 1687 B8R1.8 COCC1CCCN1 TS32164 [0,2,0,0,0,0|1,1,0]=4 1688 B8R1.8 COCC1CCCO1 TS04584 [0,2,0,0,0,0|1,1,0]=4 1689 B8R1.8 COCC1CCNC1 TS87730 [0,2,0,0,0,0|1,1,0]=4 1690 B8R1.8 COC[C@@H]1CCCN1 TS32165 [0,2,0,0,0,0|1,1,0]=4 1691 B8R1.8 COC[C@@H]1CCNC1 TS91884 [0,2,0,0,0,0|1,1,0]=4 1692 B8R1.8 COC[C@H]1CCCN1 TS32345 [0,2,0,0,0,0|1,1,0]=4 1693 B8R1.8 COC[C@H]1CCNC1 TS91991 [0,2,0,0,0,0|1,1,0]=4 1694 B8R1.11 C1CC(C(=O)C1)C#N TS64878 [0,2,0,0,0,0|0,1,1]=4 1695 B8R1.11 C1CO[C@@H]([C@H]1O)CO TS32319 [0,2,0,0,0,0|1,1,0]=4 1696 B8R1.11 CCC1CCCC1=O TS31928 [0,2,0,0,0,0|0,1,1]=4 1697 B8R1.11 CCC1CCCC1C TS67055 [0,2,0,0,0,0|1,0,0]=3 1698 B8R1.11 CN1CCCC1CO TS46985 [0,2,0,0,0,0|1,1,0]=4 1699 B8R1.11 CN1CCC[C@@H]1CN TS88307 [0,2,0,0,0,0|2,0,0]=4 1700 B8R1.11 CN1CCC[C@@H]1CO TS87350 [0,2,0,0,0,0|1,1,0]=4 1701 B8R1.11 CN1CCC[C@H]1CN TS91663 [0,2,0,0,0,0|2,0,0]=4 1702 B8R1.11 CN1CCC[C@H]1CO TS18151 [0,2,0,0,0,0|1,1,0]=4 1703 B8R1.11 CO[C@@H]1CNC[C@H]1F TS92602 [0,2,0,0,0,0|1,1,0]=4 1704 B8R1.11 CO[C@@H]1CNC[C@H]1O TS88618 [0,2,0,0,0,0|1,1,0]=4 1705 B8R1.11 C[C@@H]1CNC[C@H]1CO TS32158 [0,2,0,0,0,0|1,1,0]=4 1706 B8R1.52 C#CC1(CCOC1)O TS85882 [0,2,0,0,0,0|1,1,0]=4 1707 B8R1.52 C1CCC(C1)(C#N)N TS07291 [0,2,0,0,0,0|1,0,0]=3 1708 B8R1.52 C1CNCC1(CF)O TS92712 [0,2,0,0,0,0|1,1,0]=4 1709 B8R1.52 C1CNCC1(CO)O TS92591 [0,2,0,0,0,0|1,1,0]=4 1710 B8R1.52 C1COCC1(CO)N TS87185 [0,2,0,0,0,0|1,1,0]=4 1711 B8R1.52 CC1(CCCO1)CN TS86672 [0,2,0,0,0,0|2,0,0]=4 1712 B8R1.52 CC1(CCOC1)CN TS90521 [0,2,0,0,0,0|2,0,0]=4 1713 B8R1.52 CCC1(CCCC1)C TS04357 [0,2,0,0,0,0|1,0,0]=3 1714 B8R1.52 CCC1(CCCC1)O TS39600 [0,2,0,0,0,0|0,1,0]=3 1715 B8R1.52 CC[N+]1(CCCC1)C TS16336 [0,2,0,0,0,0|2,0,0]=4 1716 B8R1.52 C[C@@]1(CCCN1)CO TS92383 [0,2,0,0,0,0|1,1,0]=4 1717 B8R1.52 C[C@]1(CCCN1)CO TS91971 [0,2,0,0,0,0|1,1,0]=4 1718 B8R1.18 CC1CC(=O)CC1C TS31939 [0,2,0,0,0,0|0,1,1]=4 1719 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C TS04316 [0,2,0,0,0,0|0,1,1]=4 1720 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C TS31966 [0,2,0,0,0,0|1,0,0]=3 1721 B8R1.18 C[C@H]1C[C@@H]([C@H](C1)C)C TS04355 [0,2,0,0,0,0|1,0,0]=3 1722 B8R1.50 CC1CCC(C1O)O TS04585 [0,2,0,0,0,0|0,1,0]=3 1723 B8R1.50 C[C@H]1[C@@H]([C@@H](CC1)C)C TS04338 [0,2,0,0,0,0|1,0,0]=3 1724 B8R1.51 C1CC(CC1N)(F)F TS89363 [0,2,0,0,0,0|1,0,0]=3 1725 B8R1.51 C1CC(C[C@@H]1N)(F)F TS92644 [0,2,0,0,0,0|1,0,0]=3 1726 B8R1.51 C1CC(C[C@H]1N)(F)F TS92671 [0,2,0,0,0,0|1,0,0]=3 1727 B8R1.51 C1CS(=O)(=O)CC1N TS05997 [0,2,0,0,0,0|1,1,0]=4 1728 B8R1.51 C1CS(=O)(=O)CC1O TS36999 [0,2,0,0,0,0|1,1,0]=4 1729 B8R1.51 CC1(CCC(C1)N)O TS92743 [0,2,0,0,0,0|0,1,0]=3 1730 B8R1.51 CC1CCC(C1)(C)C TS04349 [0,2,0,0,0,0|1,0,0]=3 1731 B8R1.51 CC1CCC(C1)(C)O TS32090 [0,2,0,0,0,0|0,1,0]=3 1732 B8R1.51 CC1CCS(=O)(=O)C1 TS05918 [0,2,0,0,0,0|1,1,0]=4 1733 B8R1.19 CC1(CCCC1=O)C TS31947 [0,2,0,0,0,0|0,1,1]=4 1734 B8R1.19 CC1CCCC1(C)O TS32102 [0,2,0,0,0,0|0,1,0]=3 1735 B6R1.3 C1C(O1)CCBr TS08876 [0,0,1,1,0,0|1,1,0]=4 1736 B6R1.3 C1CC1CCN TS85780 [0,0,1,1,0,0|2,0,0]=4 1737 B6R1.3 C1CC1CCO TS00981 [0,0,1,1,0,0|2,0,0]=4 1738 B6R1.3 C1[C@@H](O1)CCBr TS40969 [0,0,1,1,0,0|1,1,0]=4 1739 B6R1.3 C1[C@H](O1)CCBr TS40971 [0,0,1,1,0,0|1,1,0]=4 1740 B6R1.3 CCC[C@H]1CO1 TS71750 [0,0,1,1,0,0|0,1,0]=3 1741 B6R1.3 COC[C@@H]1CO1 TS03586 [0,0,1,1,0,0|1,1,0]=4 1742 B6R1.3 COC[C@H]1CO1 TS03578 [0,0,1,1,0,0|1,1,0]=4 1743 B6R1.3 CSCC1CO1 TS31681 [0,0,1,1,0,0|1,1,0]=4 1744 B6R1.8 CC1CC1CO TS71767 [0,0,1,1,0,0|2,0,0]=4 1745 B6R1.8 CC[C@@H]1C[C@@H]1C TS71712 [0,0,1,1,0,0|1,0,0]=3 1746 B6R1.9 CC1C(O1)(C)C TS71757 [0,0,1,1,0,0|2,0,0]=4 1747 B6R1.9 CC1CC1(C)C TS71716 [0,0,1,1,0,0|1,0,0]=3 1748 B6R1.11 CC(=O)C1CC1 TS39597 [0,0,1,1,0,0|0,1,1]=4 1749 B6R1.11 CC(C)C1CC1 TS71711 [0,0,1,1,0,0|1,0,0]=3 1750 B6R1.11 C[C@@H](C1CC1)N TS03514 [0,0,1,1,0,0|1,0,0]=3 1751 B6R1.11 C[C@H](C1CC1)N TS03515 [0,0,1,1,0,0|1,0,0]=3 1752 B6R1.1 C1CCC=CC1 TS34559 [0,0,1,1,0,0|1,0,1]=4 1753 B6R1.1 C1CCCCC1 TS71717 [0,0,1,1,0,0|1,0,0]=3 1754 B6R1.1 C1CCNCC1 TS03510 [0,0,1,1,0,0|1,0,0]=3 1755 B6R1.1 C1CCNCC1 TS04882 [0,0,1,1,0,0|1,0,0]=3 1756 B6R1.1 C1CCNCC1 TS10261 [0,0,1,1,0,0|1,0,0]=3 1757 B6R1.1 C1CCNNC1 TS42014 [0,0,1,1,0,0|2,0,0]=4 1758 B6R1.1 C1CCOCC1 TS26775 [0,0,1,1,0,0|0,1,0]=3 1759 B6R1.1 C1CCOCC1 TS71756 [0,0,1,1,0,0|0,1,0]=3 1760 B6R1.1 C1CCSCC1 TS03983 [0,0,1,1,0,0|0,0,0]=2 1761 B6R1.1 C1CNCCN1 TS03538 [0,0,1,1,0,0|2,0,0]=4 1762 B6R1.1 C1CNCCN1 TS15278 [0,0,1,1,0,0|2,0,0]=4 1763 B6R1.1 C1CNCCN1 TS42015 [0,0,1,1,0,0|2,0,0]=4 1764 B6R1.1 C1COCCN1 TS03564 [0,0,1,1,0,0|1,1,0]=4 1765 B6R1.1 C1COCCN1 TS04991 [0,0,1,1,0,0|1,1,0]=4 1766 B6R1.1 C1COCCO1 TS27395 [0,0,1,1,0,0|1,1,0]=4 1767 B6R1.1 C1COCCO1 TS27687 [0,0,1,1,0,0|1,1,0]=4 1768 B6R1.1 C1COCCO1 TS46811 [0,0,1,1,0,0|1,1,0]=4 1769 B6R1.1 C1CSCCN1 TS00278 [0,0,1,1,0,0|1,0,0]=3 1770 B6R1.1 C1CSCCN1 TS37319 [0,0,1,1,0,0|1,0,0]=3 1771 B6R1.1 C1CSCCO1 TS31683 [0,0,1,1,0,0|1,0,0]=3 1772 B6R1.1 C1CSCCS1 TS32441 [0,0,1,1,0,0|1,0,0]=3 1773 B6R1.1 C1CSCSC1 TS59890 [0,0,1,1,0,0|1,0,0]=3 1774 B6R1.1 C1SCSCS1 TS37237 [0,0,1,1,0,0|2,0,0]=4 1775 B6R1.7 C1CC1(CN)O TS71768 [0,0,1,1,0,0|1,1,0]=4 1776 B6R1.7 C1CC1(CO)N TS46848 [0,0,1,1,0,0|2,0,0]=4 1777 B6R1.7 CC1(CC1)CO TS71759 [0,0,1,1,0,0|2,0,0]=4 1778 B6R1.7 CCC1(CO1)C TS71765 [0,0,1,1,0,0|2,0,0]=4 1779 B8R2.11 C1[C@@H]2[C@@H]([C@H]2O)CN1 TS90177 [0,0,0,1,0,1|0,1,0]=3 1780 B8R2.18 C1C2C1CC(C2)N TS88361 [0,0,0,1,0,1|1,0,0]=3 1781 B8R2.23 C1C2CC1CNC2 TS91878 [0,0,0,1,0,1|1,0,0]=3 1782 B8R2.23 C1C2CNCC1O2 TS92433 [0,0,0,1,0,1|0,1,0]=3 1783 B8R2.25 C1CCC2C(C1)O2 TS34560 [0,0,0,1,0,1|0,1,0]=3 1784 B8R2.25 C1CCC2C(C1)S2 TS04498 [0,0,0,1,0,1|0,0,0]=2 1785 B8R2.25 C1CCC2CC2C1 TS03721 [0,0,0,1,0,1|1,0,0]=3 1786 B8R2.25 C1CNCC2C1C2 TS89727 [0,0,0,1,0,1|1,0,0]=3 1787 B8R2.34 C1C2CNC1CN2 TS12957 [0,0,0,1,0,1|2,0,0]=4 1788 B8R2.34 C1C2CNC1CO2 TS92201 [0,0,0,1,0,1|2,0,0]=4 1789 B8R2.34 C1CC2CC1C=C2 TS03681 [0,0,0,1,0,1|1,0,1]=4 1790 B8R2.34 C1CC2CC1CN2 TS31404 [0,0,0,1,0,1|1,0,0]=3 1791 B8R2.34 C1CC2CCC1N2 TS59525 [0,0,0,1,0,1|1,0,0]=3 1792 B8R2.34 C1CC2CCC1N2 TS87984 [0,0,0,1,0,1|1,0,0]=3 1793 B8R2.34 C1CC2CCC1O2 TS31431 [0,0,0,1,0,1|0,1,0]=3 1794 B8R2.34 C1[C@@H]2CN[C@H]1CO2 TS87907 [0,0,0,1,0,1|2,0,0]=4 1795 B8R2.34 C1[C@@H]2CN[C@H]1CO2 TS91801 [0,0,0,1,0,1|2,0,0]=4 1796 B8R2.34 C1[C@H]2CN[C@@H]1CO2 TS85934 [0,0,0,1,0,1|2,0,0]=4 1797 B8R2.34 C1[C@H]2CN[C@@H]1CO2 TS86231 [0,0,0,1,0,1|2,0,0]=4 1798 B8R2.22 C1CC2C1CNC2 TS88667 [0,1,0,1,0,0|2,0,0]=4 1799 B8R2.55 C1CC12CCNC2 TS91399 [0,1,0,1,0,0|2,0,0]=4 1800 B8R2.55 C1CC2(CC2)NC1 TS92596 [0,1,0,1,0,0|2,0,0]=4 1801 B4R1.1 C1CC=C1 TS65575 [1,0,0,0,1,0|0,0,2]=4 1802 B4R1.1 C1CCC1 TS02409 [1,0,0,0,1,0|0,0,0]=2 1803 B4R1.1 C1CNC1 TS55736 [1,0,0,0,1,0|1,0,0]=3 1804 B4R1.1 C1CNC1 TS55738 [1,0,0,0,1,0|1,0,0]=3 1805 B4R1.1 C1CNC1 TS91474 [1,0,0,0,1,0|1,0,0]=3 1806 B4R1.1 C1COC1 TS02415 [1,0,0,0,1,0|1,0,0]=3 1807 B4R1.1 C1CSC1 TS71618 [1,0,0,0,1,0|1,0,0]=3 1808 B4R1.2 C1CC1Br TS55840 [0,0,0,0,2,0|1,0,0]=3 1809 B4R1.2 C1CC1N TS55837 [0,0,0,0,2,0|1,0,0]=3 1810 B4R1.2 C=C1CC1 TS65571 [0,0,0,0,2,0|1,0,1]=4 1811 B4R1.2 CC1CN1 TS00100 [0,0,0,0,2,0|2,0,0]=4 1812 B4R1.2 CC1CO1 TS02417 [0,0,0,0,2,0|2,0,0]=4 1813 B4R1.2 C[C@@H]1CN1 TS02413 [0,0,0,0,2,0|2,0,0]=4 1814 B4R1.2 C[C@@H]1CO1 TS46587 [0,0,0,0,2,0|2,0,0]=4 1815 B4R1.2 C[C@H]1CN1 TS08126 [0,0,0,0,2,0|2,0,0]=4 1816 B4R1.2 C[C@H]1CO1 TS59490 [0,0,0,0,2,0|2,0,0]=4 1817 B8R1.22 C1CC(=O)CCC=C1 TS04197 [0,0,0,0,0,2|0,1,1]=4 1818 B8R1.22 C1CC(=O)CCNC1 TS89498 [0,0,0,0,0,2|0,1,1]=4 1819 B8R1.22 C1CC(CCNC1)F TS91335 [0,0,0,0,0,2|1,0,0]=3 1820 B8R1.22 C1CC(CCNC1)N TS04492 [0,0,0,0,0,2|1,0,0]=3 1821 B8R1.22 C1CC(CCNC1)O TS01362 [0,0,0,0,0,2|0,1,0]=3 1822 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,0,0,0,0,2|0,1,1]=4 1823 B8R1.22 C1CCC(=O)NCC1 TS04386 [0,0,0,0,0,2|0,1,1]=4 1824 B8R1.22 C1CCC(=O)NCC1 TS49157 [0,0,0,0,0,2|0,1,1]=4 1825 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,0,0,0,0,2|0,1,1]=4 1826 B8R1.22 C1CCC(=S)NCC1 TS05487 [0,0,0,0,0,2|0,0,2]=4 1827 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,0,0,0,0,2|0,1,1]=4 1828 B8R1.22 C1CCCC(CC1)Br TS46223 [0,0,0,0,0,2|1,0,0]=3 1829 B8R1.22 C1CCCC(CC1)Cl TS36739 [0,0,0,0,0,2|1,0,0]=3 1830 B8R1.22 C1CCCC(CC1)N TS04399 [0,0,0,0,0,2|1,0,0]=3 1831 B8R1.22 C1CCCC(CC1)O TS04470 [0,0,0,0,0,2|0,1,0]=3 1832 B8R1.22 C1CCCN(CC1)N TS04497 [0,0,0,0,0,2|2,0,0]=4 1833 B8R1.22 C1CCNC(=S)NC1 TS05580 [0,0,0,0,0,2|0,0,2]=4 1834 B8R1.22 C1CCNCC(C1)N TS07845 [0,0,0,0,0,2|1,0,0]=3 1835 B8R1.22 C1CNCC(=O)NC1 TS32078 [0,0,0,0,0,2|0,1,1]=4 1836 B8R1.22 C1COCC(=O)CO1 TS32190 [0,0,0,0,0,2|0,1,1]=4 1837 B8R1.22 C1COCCNC1=O TS04534 [0,0,0,0,0,2|0,1,1]=4 1838 B8R1.22 C=C1OCCCCO1 TS04434 [0,0,0,0,0,2|1,0,1]=4 1839 B8R1.22 CC1=CCCCCC1 TS04216 [0,0,0,0,0,2|1,0,1]=4 1840 B8R1.22 CC1CCCCCC1 TS04339 [0,0,0,0,0,2|1,0,0]=3 1841 B8R1.22 CC1OCCCCO1 TS32214 [0,0,0,0,0,2|1,0,0]=3 1842 B8R1.22 CN1CCCCCC1 TS32032 [0,0,0,0,0,2|2,0,0]=4 1843 B8R1.22 CN1CCCNCC1 TS00463 [0,0,0,0,0,2|2,0,0]=4