0 B6R1.2 C1=CN=NC1=O TS03479 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 C1=NC(=O)N=N1 TS94818 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 C1C(=O)NCN1 TS32972 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 C1C(=O)O[Pt]O1 TS23018 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 C1C(CO[NH2+]1)O TS36081 [0,0,0,0,0,0|2,0,2]=4 5 B6R1.2 C1C=CC(=O)N1 TS71697 [0,0,0,0,0,0|1,0,2]=3 6 B6R1.2 C1C=CC(=O)O1 TS03476 [0,0,0,0,0,0|1,0,2]=3 7 B6R1.2 C1C=CCC1=O TS03462 [0,0,0,0,0,0|0,0,2]=2 8 B6R1.2 C1C=CCC1N TS04803 [0,0,0,0,0,0|1,0,3]=4 9 B6R1.2 C1C=CCC1O TS71171 [0,0,0,0,0,0|0,0,4]=4 10 B6R1.2 C1CC(=N)SC1 TS03910 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 C1CC(=NC1)N TS04838 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 C1CC(=O)C=C1 TS00977 [0,0,0,0,0,0|0,0,2]=2 13 B6R1.2 C1CC(=O)NC1 TS39938 [0,0,0,0,0,0|1,0,0]=1 14 B6R1.2 C1CC(=O)NC1 TS63365 [0,0,0,0,0,0|1,0,0]=1 15 B6R1.2 C1CC(=O)SC1 TS31607 [0,0,0,0,0,0|1,0,0]=1 16 B6R1.2 C1CC(=S)NC1 TS03912 [0,0,0,0,0,0|1,1,0]=2 17 B6R1.2 C1CC(C=C1)Cl TS31621 [0,0,0,0,0,0|1,0,3]=4 18 B6R1.2 C1CC(OC1)N TS03559 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 C1CC=C(C1)Cl TS31619 [0,0,0,0,0,0|1,0,1]=2 20 B6R1.2 C1CCC(=O)C1 TS03493 [0,0,0,0,0,0|0,0,0]=0 21 B6R1.2 C1CCC(C1)Br TS55827 [0,0,0,0,0,0|1,0,1]=2 22 B6R1.2 C1CCC(C1)Br TS68904 [0,0,0,0,0,0|1,0,1]=2 23 B6R1.2 C1CCC(C1)Cl TS04055 [0,0,0,0,0,0|1,0,1]=2 24 B6R1.2 C1CCC(C1)I TS18162 [0,0,0,0,0,0|1,0,1]=2 25 B6R1.2 C1CCC(C1)N TS34563 [0,0,0,0,0,0|1,0,1]=2 26 B6R1.2 C1CCC(C1)O TS71762 [0,0,0,0,0,0|0,0,2]=2 27 B6R1.2 C1CCC(C1)S TS03980 [0,0,0,0,0,0|0,1,1]=2 28 B6R1.2 C1CCC(C1)[SiH3] TS03890 [0,0,0,0,0,0|1,0,1]=2 29 B6R1.2 C1CCC(C1)[Zn+] TS44590 [0,0,0,0,0,0|1,0,1]=2 30 B6R1.2 C1CCN(C1)N TS03537 [0,0,0,0,0,0|2,0,0]=2 31 B6R1.2 C1CCN(C1)N TS32538 [0,0,0,0,0,0|2,0,0]=2 32 B6R1.2 C1CCS(=O)C1 TS31677 [0,0,0,0,0,0|1,0,0]=1 33 B6R1.2 C1CNC(=O)N1 TS93146 [0,0,0,0,0,0|2,0,0]=2 34 B6R1.2 C1CNC(=S)N1 TS31609 [0,0,0,0,0,0|2,1,0]=3 35 B6R1.2 C1CNCC1=O TS88446 [0,0,0,0,0,0|1,0,0]=1 36 B6R1.2 C1CNCC1F TS36083 [0,0,0,0,0,0|2,0,1]=3 37 B6R1.2 C1CNCC1F TS46663 [0,0,0,0,0,0|2,0,1]=3 38 B6R1.2 C1CNCC1N TS32537 [0,0,0,0,0,0|2,0,1]=3 39 B6R1.2 C1CNCC1O TS02802 [0,0,0,0,0,0|1,0,2]=3 40 B6R1.2 C1CNC[C@@H]1F TS00303 [0,0,0,0,0,0|2,0,1]=3 41 B6R1.2 C1CNC[C@@H]1F TS03597 [0,0,0,0,0,0|2,0,1]=3 42 B6R1.2 C1CNC[C@@H]1N TS03541 [0,0,0,0,0,0|2,0,1]=3 43 B6R1.2 C1CNC[C@@H]1N TS42016 [0,0,0,0,0,0|2,0,1]=3 44 B6R1.2 C1CNC[C@@H]1O TS87275 [0,0,0,0,0,0|1,0,2]=3 45 B6R1.2 C1CNC[C@@H]1O TS87623 [0,0,0,0,0,0|1,0,2]=3 46 B6R1.2 C1CNC[C@H]1F TS08083 [0,0,0,0,0,0|2,0,1]=3 47 B6R1.2 C1CNC[C@H]1F TS88030 [0,0,0,0,0,0|2,0,1]=3 48 B6R1.2 C1CNC[C@H]1N TS39939 [0,0,0,0,0,0|2,0,1]=3 49 B6R1.2 C1CNC[C@H]1N TS42017 [0,0,0,0,0,0|2,0,1]=3 50 B6R1.2 C1CNC[C@H]1O TS46618 [0,0,0,0,0,0|1,0,2]=3 51 B6R1.2 C1CNC[C@H]1O TS46665 [0,0,0,0,0,0|1,0,2]=3 52 B6R1.2 C1CNC[C@H]1O TS91049 [0,0,0,0,0,0|1,0,2]=3 53 B6R1.2 C1CNC[C@H]1O TS94423 [0,0,0,0,0,0|1,0,2]=3 54 B6R1.2 C1CNNC1=O TS04946 [0,0,0,0,0,0|2,0,0]=2 55 B6R1.2 C1COC(=O)N1 TS03552 [0,0,0,0,0,0|2,0,0]=2 56 B6R1.2 C1COC(=O)O1 TS71793 [0,0,0,0,0,0|2,0,0]=2 57 B6R1.2 C1COC(=S)N1 TS03998 [0,0,0,0,0,0|2,1,0]=3 58 B6R1.2 C1COCC1=O TS01440 [0,0,0,0,0,0|1,0,0]=1 59 B6R1.2 C1COCC1Br TS88092 [0,0,0,0,0,0|2,0,1]=3 60 B6R1.2 C1COCC1Cl TS31737 [0,0,0,0,0,0|2,0,1]=3 61 B6R1.2 C1COCC1I TS86694 [0,0,0,0,0,0|2,0,1]=3 62 B6R1.2 C1COCC1N TS89945 [0,0,0,0,0,0|2,0,1]=3 63 B6R1.2 C1COCC1O TS06712 [0,0,0,0,0,0|1,0,2]=3 64 B6R1.2 C1COCC1O TS59434 [0,0,0,0,0,0|1,0,2]=3 65 B6R1.2 C1COCC1O TS89114 [0,0,0,0,0,0|1,0,2]=3 66 B6R1.2 C1COC[C@@H]1I TS91739 [0,0,0,0,0,0|2,0,1]=3 67 B6R1.2 C1COC[C@@H]1N TS04989 [0,0,0,0,0,0|2,0,1]=3 68 B6R1.2 C1COC[C@@H]1N TS85171 [0,0,0,0,0,0|2,0,1]=3 69 B6R1.2 C1COC[C@@H]1O TS01967 [0,0,0,0,0,0|1,0,2]=3 70 B6R1.2 C1COC[C@H]1I TS88696 [0,0,0,0,0,0|2,0,1]=3 71 B6R1.2 C1COC[C@H]1N TS46680 [0,0,0,0,0,0|2,0,1]=3 72 B6R1.2 C1COC[C@H]1O TS59862 [0,0,0,0,0,0|1,0,2]=3 73 B6R1.2 C1COP(O1)Cl TS36189 [0,0,0,0,0,0|4,0,0]=4 74 B6R1.2 C1COS(=O)O1 TS08730 [0,0,0,0,0,0|3,0,0]=3 75 B6R1.2 C1CSC(=N1)N TS06330 [0,0,0,0,0,0|3,0,0]=3 76 B6R1.2 C1CSC(=N1)S TS04797 [0,0,0,0,0,0|2,1,0]=3 77 B6R1.2 C1CSC(=O)N1 TS03996 [0,0,0,0,0,0|2,0,0]=2 78 B6R1.2 C1CSC(=S)S1 TS37062 [0,0,0,0,0,0|2,1,0]=3 79 B6R1.2 C1CSCC1=O TS81072 [0,0,0,0,0,0|1,0,0]=1 80 B6R1.2 C1CSCC1Cl TS32541 [0,0,0,0,0,0|2,0,1]=3 81 B6R1.2 C1CSCC1N TS04016 [0,0,0,0,0,0|2,0,1]=3 82 B6R1.2 C1CSCC1O TS31682 [0,0,0,0,0,0|1,0,2]=3 83 B6R1.2 CC1=CCCC1 TS71683 [0,0,0,0,0,0|1,0,1]=2 84 B6R1.2 CC1=CCCO1 TS03492 [0,0,0,0,0,0|2,0,1]=3 85 B6R1.2 CC1=NCCC1 TS32917 [0,0,0,0,0,0|2,0,0]=2 86 B6R1.2 CC1=NCCO1 TS71733 [0,0,0,0,0,0|3,0,0]=3 87 B6R1.2 CC1=NCCS1 TS03913 [0,0,0,0,0,0|3,0,0]=3 88 B6R1.2 CC1CCCC1 TS22155 [0,0,0,0,0,0|1,0,1]=2 89 B6R1.2 CC1CCCC1 TS22325 [0,0,0,0,0,0|1,0,1]=2 90 B6R1.2 CC1CCCC1 TS31194 [0,0,0,0,0,0|1,0,1]=2 91 B6R1.2 CC1CCCC1 TS69413 [0,0,0,0,0,0|1,0,1]=2 92 B6R1.2 CC1CCCC1 TS77214 [0,0,0,0,0,0|1,0,1]=2 93 B6R1.2 CC1CCCC1 TS77590 [0,0,0,0,0,0|1,0,1]=2 94 B6R1.2 CC1CCCN1 TS03512 [0,0,0,0,0,0|2,0,1]=3 95 B6R1.2 CC1CCCO1 TS71748 [0,0,0,0,0,0|2,0,1]=3 96 B6R1.2 CC1CCCS1 TS03982 [0,0,0,0,0,0|2,0,1]=3 97 B6R1.2 CC1CCNC1 TS04878 [0,0,0,0,0,0|2,0,1]=3 98 B6R1.2 CC1CCOC1 TS71755 [0,0,0,0,0,0|2,0,1]=3 99 B6R1.2 CC1CCSC1 TS03984 [0,0,0,0,0,0|2,0,1]=3 100 B6R1.2 CC1COCO1 TS03579 [0,0,0,0,0,0|3,0,1]=4 101 B6R1.2 CC1OCCO1 TS03576 [0,0,0,0,0,0|3,0,1]=4 102 B6R1.2 CC1SCCS1 TS32438 [0,0,0,0,0,0|3,0,1]=4 103 B6R1.2 CN1CCCC1 TS85196 [0,0,0,0,0,0|2,0,0]=2 104 B6R1.2 C[C@@H]1CCNC1 TS46531 [0,0,0,0,0,0|2,0,1]=3 105 B6R1.2 C[C@H]1CCCN1 TS08127 [0,0,0,0,0,0|2,0,1]=3 106 B6R1.2 C[C@H]1CCCN1 TS59864 [0,0,0,0,0,0|2,0,1]=3 107 B6R1.2 C[C@H]1CCNC1 TS04879 [0,0,0,0,0,0|2,0,1]=3 108 B6R1.2 c1c[nH]c(=O)[nH]1 TS03478 [0,0,0,0,0,0|2,0,2]=4 109 B6R1.2 c1coc(=O)o1 TS16828 [0,0,0,0,0,0|2,0,2]=4 110 B5R1.1 C1C=CC=C1 TS02712 [1,0,0,0,0,0|0,0,3]=4 111 B5R1.1 C1C=CCN1 TS03158 [1,0,0,0,0,0|1,0,1]=3 112 B5R1.1 C1C=CCO1 TS47265 [1,0,0,0,0,0|1,0,1]=3 113 B5R1.1 C1C=CC[SiH2]1 TS71724 [1,0,0,0,0,0|0,1,1]=3 114 B5R1.1 C1CC=CC1 TS70869 [1,0,0,0,0,0|0,0,1]=2 115 B5R1.1 C1CCCC1 TS79215 [1,0,0,0,0,0|0,0,1]=2 116 B5R1.1 C1CCCC1 TS83096 [1,0,0,0,0,0|0,0,1]=2 117 B5R1.1 C1CCNC1 TS59825 [1,0,0,0,0,0|1,0,0]=2 118 B5R1.1 C1CCOC1 TS24765 [1,0,0,0,0,0|1,0,0]=2 119 B5R1.1 C1CCOC1 TS39373 [1,0,0,0,0,0|1,0,0]=2 120 B5R1.1 C1CCOC1 TS44432 [1,0,0,0,0,0|1,0,0]=2 121 B5R1.1 C1CCOC1 TS48211 [1,0,0,0,0,0|1,0,0]=2 122 B5R1.1 C1CCOC1 TS60631 [1,0,0,0,0,0|1,0,0]=2 123 B5R1.1 C1CCOC1 TS63866 [1,0,0,0,0,0|1,0,0]=2 124 B5R1.1 C1CCOC1 TS71600 [1,0,0,0,0,0|1,0,0]=2 125 B5R1.1 C1CCOC1 TS80255 [1,0,0,0,0,0|1,0,0]=2 126 B5R1.1 C1CCSC1 TS71810 [1,0,0,0,0,0|1,0,0]=2 127 B5R1.1 C1CNN=C1 TS03359 [1,0,0,0,0,0|2,0,0]=3 128 B5R1.1 C1COC=C1 TS07898 [1,0,0,0,0,0|1,0,1]=3 129 B5R1.1 C1COC=N1 TS03370 [1,0,0,0,0,0|2,0,0]=3 130 B5R1.1 C1COCO1 TS03392 [1,0,0,0,0,0|2,0,0]=3 131 B7R1.1 C#CC1CCCC1 TS03680 [0,1,0,0,0,0|1,0,1]=3 132 B7R1.1 C#CC1CCCC1 TS43724 [0,1,0,0,0,0|1,0,1]=3 133 B7R1.1 C#CC1CCOC1 TS90205 [0,1,0,0,0,0|2,0,1]=4 134 B7R1.1 C1C=C(CS1)C=O TS04454 [0,1,0,0,0,0|1,0,1]=3 135 B7R1.1 C1CC(=NO)NC1 TS03851 [0,1,0,0,0,0|1,0,1]=3 136 B7R1.1 C1CC(NC1)C#N TS31381 [0,1,0,0,0,0|2,0,1]=4 137 B7R1.1 C1CC(NC1)CN TS08246 [0,1,0,0,0,0|2,0,1]=4 138 B7R1.1 C1CC(OC1)C=O TS16819 [0,1,0,0,0,0|1,0,1]=3 139 B7R1.1 C1CC(OC1)CBr TS42845 [0,1,0,0,0,0|2,0,1]=4 140 B7R1.1 C1CC(OC1)CCl TS32449 [0,1,0,0,0,0|2,0,1]=4 141 B7R1.1 C1CC(OC1)CN TS39685 [0,1,0,0,0,0|2,0,1]=4 142 B7R1.1 C1CC(OC1)CO TS59435 [0,1,0,0,0,0|1,0,2]=4 143 B7R1.1 C1CC=C(C1)C#N TS71878 [0,1,0,0,0,0|1,0,1]=3 144 B7R1.1 C1CC=C(C1)CBr TS90531 [0,1,0,0,0,0|1,0,1]=3 145 B7R1.1 C1CCC(C1)C#N TS03699 [0,1,0,0,0,0|1,0,1]=3 146 B7R1.1 C1CCC(C1)C=O TS55823 [0,1,0,0,0,0|0,0,1]=2 147 B7R1.1 C1CCC(C1)CBr TS16535 [0,1,0,0,0,0|1,0,1]=3 148 B7R1.1 C1CCC(C1)CO TS31527 [0,1,0,0,0,0|0,0,2]=3 149 B7R1.1 C1CCC(C1)CO TS44787 [0,1,0,0,0,0|0,0,2]=3 150 B7R1.1 C1CCC(C1)NN TS55828 [0,1,0,0,0,0|1,0,1]=3 151 B7R1.1 C1CCC(C1)[Mg]Br TS45683 [0,1,0,0,0,0|1,0,1]=3 152 B7R1.1 C1CCN(C1)C#N TS31374 [0,1,0,0,0,0|2,0,0]=3 153 B7R1.1 C1CCN(C1)C=O TS03825 [0,1,0,0,0,0|1,0,0]=2 154 B7R1.1 C1CCN(C1)CI TS43938 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.1 C1CCN(C1)N=O TS03853 [0,1,0,0,0,0|1,0,0]=2 156 B7R1.1 C1CN=C(N1)CCl TS08710 [0,1,0,0,0,0|3,0,0]=4 157 B7R1.1 C1CN=C(N1)NN TS48024 [0,1,0,0,0,0|3,0,0]=4 158 B7R1.1 C1CNCC1C#N TS22733 [0,1,0,0,0,0|2,0,1]=4 159 B7R1.1 C1CNCC1C#N TS86150 [0,1,0,0,0,0|2,0,1]=4 160 B7R1.1 C1CNCC1CO TS01674 [0,1,0,0,0,0|1,0,2]=4 161 B7R1.1 C1CNCC1CO TS90843 [0,1,0,0,0,0|1,0,2]=4 162 B7R1.1 C1CNC[C@@H]1C#N TS89338 [0,1,0,0,0,0|2,0,1]=4 163 B7R1.1 C1CNC[C@@H]1CO TS86165 [0,1,0,0,0,0|1,0,2]=4 164 B7R1.1 C1CNC[C@@H]1CO TS87755 [0,1,0,0,0,0|1,0,2]=4 165 B7R1.1 C1CNC[C@H]1C#N TS85734 [0,1,0,0,0,0|2,0,1]=4 166 B7R1.1 C1CNC[C@H]1CO TS90835 [0,1,0,0,0,0|1,0,2]=4 167 B7R1.1 C1CNC[C@H]1CO TS91204 [0,1,0,0,0,0|1,0,2]=4 168 B7R1.1 C1COCC1C#N TS31394 [0,1,0,0,0,0|2,0,1]=4 169 B7R1.1 C1COCC1C=O TS85084 [0,1,0,0,0,0|1,0,1]=3 170 B7R1.1 C1COCC1CBr TS42850 [0,1,0,0,0,0|2,0,1]=4 171 B7R1.1 C1COCC1CCl TS32453 [0,1,0,0,0,0|2,0,1]=4 172 B7R1.1 C1COCC1CI TS21229 [0,1,0,0,0,0|2,0,1]=4 173 B7R1.1 C1COCC1CN TS37140 [0,1,0,0,0,0|2,0,1]=4 174 B7R1.1 C1COCC1CO TS90635 [0,1,0,0,0,0|1,0,2]=4 175 B7R1.1 C1COCC1NN TS13628 [0,1,0,0,0,0|2,0,1]=4 176 B7R1.1 C1COC[C@@H]1C#N TS87940 [0,1,0,0,0,0|2,0,1]=4 177 B7R1.1 C1COC[C@@H]1CN TS86866 [0,1,0,0,0,0|2,0,1]=4 178 B7R1.1 C1COC[C@@H]1CO TS90533 [0,1,0,0,0,0|1,0,2]=4 179 B7R1.1 C1COC[C@H]1C#N TS85881 [0,1,0,0,0,0|2,0,1]=4 180 B7R1.1 C1COC[C@H]1CN TS87555 [0,1,0,0,0,0|2,0,1]=4 181 B7R1.1 C1COC[C@H]1CO TS91740 [0,1,0,0,0,0|1,0,2]=4 182 B7R1.1 C1C[C@@H](NC1)C#N TS36734 [0,1,0,0,0,0|2,0,1]=4 183 B7R1.1 C1C[C@@H](NC1)C#N TS90491 [0,1,0,0,0,0|2,0,1]=4 184 B7R1.1 C1C[C@@H](NC1)CO TS55885 [0,1,0,0,0,0|1,0,2]=4 185 B7R1.1 C1C[C@@H](OC1)CN TS08645 [0,1,0,0,0,0|2,0,1]=4 186 B7R1.1 C1C[C@H](NC1)C#N TS46676 [0,1,0,0,0,0|2,0,1]=4 187 B7R1.1 C1C[C@H](NC1)C#N TS90329 [0,1,0,0,0,0|2,0,1]=4 188 B7R1.1 C1C[C@H](NC1)CF TS37317 [0,1,0,0,0,0|2,0,1]=4 189 B7R1.1 C1C[C@H](NC1)CF TS86985 [0,1,0,0,0,0|2,0,1]=4 190 B7R1.1 C1C[C@H](NC1)CN TS03869 [0,1,0,0,0,0|2,0,1]=4 191 B7R1.1 C1C[C@H](NC1)CN TS86369 [0,1,0,0,0,0|2,0,1]=4 192 B7R1.1 C1C[C@H](NC1)CO TS46675 [0,1,0,0,0,0|1,0,2]=4 193 B7R1.1 C1C[C@H](NC1)CO TS90617 [0,1,0,0,0,0|1,0,2]=4 194 B7R1.1 C1C[C@H](OC1)CN TS07684 [0,1,0,0,0,0|2,0,1]=4 195 B7R1.1 C1C[C@H](OC1)CO TS03948 [0,1,0,0,0,0|1,0,2]=4 196 B7R1.1 C=CC1CCCC1 TS44110 [0,1,0,0,0,0|1,0,1]=3 197 B7R1.1 CC=C1CCCC1 TS03729 [0,1,0,0,0,0|1,0,0]=2 198 B7R1.1 CCC1=CCCC1 TS03731 [0,1,0,0,0,0|1,0,1]=3 199 B7R1.1 CCC1=NCCO1 TS03816 [0,1,0,0,0,0|3,0,0]=4 200 B7R1.1 CCC1CCCC1 TS21020 [0,1,0,0,0,0|1,0,1]=3 201 B7R1.1 CCC1CCCC1 TS21612 [0,1,0,0,0,0|1,0,1]=3 202 B7R1.1 CCC1CCCC1 TS35071 [0,1,0,0,0,0|1,0,1]=3 203 B7R1.1 CCC1CCCC1 TS57108 [0,1,0,0,0,0|1,0,1]=3 204 B7R1.1 CCC1CCCC1 TS57519 [0,1,0,0,0,0|1,0,1]=3 205 B7R1.1 CCC1CCCC1 TS62096 [0,1,0,0,0,0|1,0,1]=3 206 B7R1.1 CCC1CCCC1 TS70230 [0,1,0,0,0,0|1,0,1]=3 207 B7R1.1 CCC1CCCC1 TS70344 [0,1,0,0,0,0|1,0,1]=3 208 B7R1.1 CCC1CCCC1 TS75798 [0,1,0,0,0,0|1,0,1]=3 209 B7R1.1 CCC1CCCC1 TS78923 [0,1,0,0,0,0|1,0,1]=3 210 B7R1.1 CCC1CCCC1 TS80049 [0,1,0,0,0,0|1,0,1]=3 211 B7R1.1 CCN1CCCC1 TS03828 [0,1,0,0,0,0|2,0,0]=3 212 B7R1.1 CNC1CCNC1 TS03875 [0,1,0,0,0,0|2,0,1]=4 213 B7R1.1 CNC1CCOC1 TS87367 [0,1,0,0,0,0|2,0,1]=4 214 B7R1.1 CN[C@@H]1CCNC1 TS03876 [0,1,0,0,0,0|2,0,1]=4 215 B7R1.1 CN[C@@H]1CCOC1 TS90607 [0,1,0,0,0,0|2,0,1]=4 216 B7R1.1 CN[C@H]1CCOC1 TS85956 [0,1,0,0,0,0|2,0,1]=4 217 B7R1.1 COC1=NCCC1 TS03819 [0,1,0,0,0,0|1,0,1]=3 218 B7R1.1 COC1=NCCN1 TS02909 [0,1,0,0,0,0|2,0,1]=4 219 B7R1.1 COC1CCCC1 TS03863 [0,1,0,0,0,0|0,0,2]=3 220 B7R1.1 COC1CCNC1 TS02829 [0,1,0,0,0,0|1,0,2]=4 221 B7R1.1 COC1CCNC1 TS90836 [0,1,0,0,0,0|1,0,2]=4 222 B7R1.1 CO[C@@H]1CCNC1 TS88166 [0,1,0,0,0,0|1,0,2]=4 223 B7R1.1 CO[C@@H]1CCNC1 TS89625 [0,1,0,0,0,0|1,0,2]=4 224 B7R1.1 CO[C@H]1CCNC1 TS85697 [0,1,0,0,0,0|1,0,2]=4 225 B7R1.1 CSC1=NCCN1 TS04613 [0,1,0,0,0,0|2,1,0]=4 226 B7R1.1 CSC1=NCCN1 TS61969 [0,1,0,0,0,0|2,1,0]=4 227 B7R1.1 CSC1=NCCS1 TS00519 [0,1,0,0,0,0|2,1,0]=4 228 B7R1.1 CSC1CCCC1 TS04638 [0,1,0,0,0,0|0,1,1]=3 229 B7R1.1 [C-]#[N+]C1CCCC1 TS03697 [0,1,0,0,0,0|1,0,1]=3 230 B7R1.2 C1C(=O)C=C(N1)O TS31463 [0,1,0,0,0,0|1,0,2]=4 231 B7R1.2 C1C(=O)NC(=N1)N TS65022 [0,1,0,0,0,0|2,0,1]=4 232 B7R1.2 C1C(=O)NC(=O)N1 TS39884 [0,1,0,0,0,0|2,0,1]=4 233 B7R1.2 C1C(=O)NC(=O)N1 TS40408 [0,1,0,0,0,0|2,0,1]=4 234 B7R1.2 C1C(=O)NC(=O)O1 TS31533 [0,1,0,0,0,0|2,0,1]=4 235 B7R1.2 C1C(=O)NC(=O)S1 TS00655 [0,1,0,0,0,0|2,0,1]=4 236 B7R1.2 C1C(=O)NC(=S)N1 TS04577 [0,1,0,0,0,0|2,0,1]=4 237 B7R1.2 C1C(=O)NC(=S)S1 TS36781 [0,1,0,0,0,0|2,0,1]=4 238 B7R1.2 C1C(=O)OC(=O)N1 TS03898 [0,1,0,0,0,0|2,0,1]=4 239 B7R1.2 C1C(CNC1=O)N TS87465 [0,1,0,0,0,0|1,0,0]=2 240 B7R1.2 C1C(COC1=O)O TS31581 [0,1,0,0,0,0|1,0,0]=2 241 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [0,1,0,0,0,0|2,0,0]=3 242 B7R1.2 C1C(OC(=O)O1)F TS31724 [0,1,0,0,0,0|2,0,0]=3 243 B7R1.2 C1CC(=O)CC1=O TS46791 [0,1,0,0,0,0|0,0,1]=2 244 B7R1.2 C1CC(=O)NC1=O TS31467 [0,1,0,0,0,0|1,0,1]=3 245 B7R1.2 C1CC(=O)OC1=O TS31489 [0,1,0,0,0,0|1,0,1]=3 246 B7R1.2 C1CC(CC1N)N TS03878 [0,1,0,0,0,0|1,0,1]=3 247 B7R1.2 C1CC(CC1N)O TS86416 [0,1,0,0,0,0|0,0,2]=3 248 B7R1.2 C1C[C@@H](C[C@@H]1N)O TS85957 [0,1,0,0,0,0|0,0,2]=3 249 B7R1.2 C1C[C@@H](C[C@H]1N)O TS87237 [0,1,0,0,0,0|0,0,2]=3 250 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [0,1,0,0,0,0|1,0,0]=2 251 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [0,1,0,0,0,0|1,0,0]=2 252 B7R1.2 C1[C@@H](COC1=O)N TS37130 [0,1,0,0,0,0|1,0,0]=2 253 B7R1.2 C1[C@@H](COC1=O)O TS33101 [0,1,0,0,0,0|1,0,0]=2 254 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [0,1,0,0,0,0|0,0,2]=3 255 B7R1.2 C1[C@H](CNC1=O)O TS01973 [0,1,0,0,0,0|1,0,0]=2 256 B7R1.2 C1[C@H](CNC1=O)S TS04686 [0,1,0,0,0,0|1,0,0]=2 257 B7R1.2 C1[C@H](COC1=O)O TS46585 [0,1,0,0,0,0|1,0,0]=2 258 B7R1.2 C=C1CCC(=O)O1 TS03758 [0,1,0,0,0,0|1,0,1]=3 259 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,1,0,0,0,0|0,0,2]=3 260 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,1,0,0,0,0|1,0,2]=4 261 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,1,0,0,0,0|1,0,2]=4 262 B7R1.2 CC1=NNC(=O)C1 TS93059 [0,1,0,0,0,0|2,0,1]=4 263 B7R1.2 CC1=NOC(=O)C1 TS15601 [0,1,0,0,0,0|2,0,1]=4 264 B7R1.2 CC1CCC(N1)C TS94712 [0,1,0,0,0,0|2,0,1]=4 265 B7R1.2 CC1CCC(O1)C TS47281 [0,1,0,0,0,0|2,0,1]=4 266 B7R1.2 CC1CNC(=S)N1 TS04617 [0,1,0,0,0,0|2,1,0]=4 267 B7R1.2 CC1COC(=O)O1 TS08062 [0,1,0,0,0,0|2,0,0]=3 268 B7R1.2 CC1COC(=O)O1 TS93060 [0,1,0,0,0,0|2,0,0]=3 269 B7R1.2 CN1CCC(C1)N TS03871 [0,1,0,0,0,0|2,0,0]=3 270 B7R1.2 CN1CCC(C1)O TS31556 [0,1,0,0,0,0|2,0,0]=3 271 B7R1.2 CN1CC[C@@H](C1)N TS86663 [0,1,0,0,0,0|2,0,0]=3 272 B7R1.2 CN1CC[C@@H](C1)O TS03901 [0,1,0,0,0,0|2,0,0]=3 273 B7R1.2 CN1CC[C@H](C1)O TS03903 [0,1,0,0,0,0|2,0,0]=3 274 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,1,0,0,0,0|1,0,0]=2 275 B7R1.2 C[C@@H]1CC[C@@H](C1)C TS03800 [0,1,0,0,0,0|1,0,1]=3 276 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [0,1,0,0,0,0|2,0,0]=3 277 B7R1.2 C[C@H]1CC[C@@H](C1)C TS31449 [0,1,0,0,0,0|1,0,1]=3 278 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [0,1,0,0,0,0|2,0,0]=3 279 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [0,1,0,0,0,0|2,0,0]=3 280 B7R1.4 C1C(C(=O)NO1)N TS03929 [0,1,0,0,0,0|2,0,0]=3 281 B7R1.4 C1CC(=C(C1)Br)Br TS52252 [0,1,0,0,0,0|1,0,1]=3 282 B7R1.4 C1CC(=O)C(=C1)Br TS11349 [0,1,0,0,0,0|0,0,2]=3 283 B7R1.4 C1CC(C(=O)C1)Br TS55161 [0,1,0,0,0,0|0,0,0]=1 284 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [0,1,0,0,0,0|0,0,0]=1 285 B7R1.4 C1CC(C(C1)Cl)Cl TS06337 [0,1,0,0,0,0|1,0,1]=3 286 B7R1.4 C1CC(C(C1)O)N TS03905 [0,1,0,0,0,0|0,0,2]=3 287 B7R1.4 C1CNC(=O)C1N TS94857 [0,1,0,0,0,0|1,0,0]=2 288 B7R1.4 C1CNC(=O)C1O TS02803 [0,1,0,0,0,0|1,0,0]=2 289 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [0,1,0,0,0,0|1,0,0]=2 290 B7R1.4 C1COC(=O)C1Br TS65029 [0,1,0,0,0,0|1,0,0]=2 291 B7R1.4 C1COC(=O)C1O TS70622 [0,1,0,0,0,0|1,0,0]=2 292 B7R1.4 C1COC(=O)N1N TS03931 [0,1,0,0,0,0|2,0,0]=3 293 B7R1.4 C1COC(=O)N1N TS18967 [0,1,0,0,0,0|2,0,0]=3 294 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [0,1,0,0,0,0|1,0,0]=2 295 B7R1.4 C1COC(=O)[C@H]1N TS37131 [0,1,0,0,0,0|1,0,0]=2 296 B7R1.4 C1COC(C1Br)Br TS52914 [0,1,0,0,0,0|2,0,1]=4 297 B7R1.4 C1COC(C1Cl)Cl TS37466 [0,1,0,0,0,0|2,0,1]=4 298 B7R1.4 C1CSC(=O)C1N TS41321 [0,1,0,0,0,0|1,0,0]=2 299 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [0,1,0,0,0,0|1,0,0]=2 300 B7R1.4 C1C[C@@H]([C@H](C1)O)N TS59451 [0,1,0,0,0,0|0,0,2]=3 301 B7R1.4 C1C[C@@H]([C@H](C1)O)O TS03951 [0,1,0,0,0,0|0,0,2]=3 302 B7R1.4 C1C[C@H]([C@@H](C1)Cl)Cl TS06338 [0,1,0,0,0,0|1,0,1]=3 303 B7R1.4 C1C[C@H]([C@@H](C1)O)N TS94575 [0,1,0,0,0,0|0,0,2]=3 304 B7R1.4 C1C[C@H]([C@@H](C1)O)O TS03935 [0,1,0,0,0,0|0,0,2]=3 305 B7R1.4 C1C[C@H]([C@H](C1)O)N TS55819 [0,1,0,0,0,0|0,0,2]=3 306 B7R1.4 C1C[C@H]([C@H](C1)O)O TS03956 [0,1,0,0,0,0|0,0,2]=3 307 B7R1.4 C1[C@@H](C(=O)NO1)N TS31587 [0,1,0,0,0,0|2,0,0]=3 308 B7R1.4 C1[C@@H]([C@H](CN1)F)F TS92386 [0,1,0,0,0,0|2,0,1]=4 309 B7R1.4 C1[C@@H]([C@H](CN1)O)O TS87014 [0,1,0,0,0,0|1,0,2]=4 310 B7R1.4 C1[C@@H]([C@H](CO1)N)N TS92585 [0,1,0,0,0,0|2,0,1]=4 311 B7R1.4 C1[C@@H]([C@H](CO1)N)N TS92586 [0,1,0,0,0,0|2,0,1]=4 312 B7R1.4 C1[C@@H]([C@H](CO1)O)O TS31674 [0,1,0,0,0,0|1,0,2]=4 313 B7R1.4 C1[C@H](C(=O)NO1)N TS01419 [0,1,0,0,0,0|2,0,0]=3 314 B7R1.4 C1[C@H]([C@@H](CN1)F)O TS92108 [0,1,0,0,0,0|1,0,2]=4 315 B7R1.4 C1[C@H]([C@@H](CN1)O)O TS89590 [0,1,0,0,0,0|1,0,2]=4 316 B7R1.4 C1[C@H]([C@@H](CO1)N)N TS87919 [0,1,0,0,0,0|2,0,1]=4 317 B7R1.4 C1[C@H]([C@H](CN1)F)F TS92089 [0,1,0,0,0,0|2,0,1]=4 318 B7R1.4 C1[C@H]([C@H](CN1)O)O TS91803 [0,1,0,0,0,0|1,0,2]=4 319 B7R1.4 C1[C@H]([C@H](CO1)N)N TS87566 [0,1,0,0,0,0|2,0,1]=4 320 B7R1.4 C=C1CCOC1=O TS46473 [0,1,0,0,0,0|1,0,1]=3 321 B7R1.4 CC1=C(CCC1)C TS03727 [0,1,0,0,0,0|1,0,1]=3 322 B7R1.4 CC1=C(CCO1)S TS04610 [0,1,0,0,0,0|1,1,1]=4 323 B7R1.4 CC1=C(CCO1)S TS11013 [0,1,0,0,0,0|1,1,1]=4 324 B7R1.4 CC1=CCCC1=O TS31367 [0,1,0,0,0,0|0,0,2]=3 325 B7R1.4 CC1=CCOC1=O TS03756 [0,1,0,0,0,0|1,0,2]=4 326 B7R1.4 CC1=[N+](CCS1)C TS26975 [0,1,0,0,0,0|3,0,0]=4 327 B7R1.4 CC1C(=O)CCO1 TS31501 [0,1,0,0,0,0|1,0,0]=2 328 B7R1.4 CC1C(=O)CCS1 TS04612 [0,1,0,0,0,0|1,0,0]=2 329 B7R1.4 CC1C(CCO1)S TS32361 [0,1,0,0,0,0|1,1,1]=4 330 B7R1.4 CC1CCC=C1C TS31386 [0,1,0,0,0,0|1,0,1]=3 331 B7R1.4 CC1CCNC1=O TS70662 [0,1,0,0,0,0|1,0,0]=2 332 B7R1.4 CC1CCOC1=O TS59696 [0,1,0,0,0,0|1,0,0]=2 333 B7R1.4 CN1CCCC1=O TS46986 [0,1,0,0,0,0|1,0,0]=2 334 B7R1.4 CN1CCNC1=S TS04614 [0,1,0,0,0,0|2,1,0]=4 335 B7R1.4 CN1CCSC1=S TS36785 [0,1,0,0,0,0|2,1,0]=4 336 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [0,1,0,0,0,0|1,0,1]=3 337 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [0,1,0,0,0,0|1,0,1]=3 338 B7R1.14 C1C=CCS1(=O)=O TS04728 [0,1,0,0,0,0|1,0,2]=4 339 B7R1.14 C1CCC(C1)(F)F TS04079 [0,1,0,0,0,0|1,0,1]=3 340 B7R1.14 C1CCS(=O)(=O)C1 TS00274 [0,1,0,0,0,0|1,0,0]=2 341 B7R1.14 C1CC[Si](C1)(Cl)Cl TS10548 [0,1,0,0,0,0|1,1,0]=3 342 B7R1.14 C1CNCC1(F)F TS06901 [0,1,0,0,0,0|2,0,1]=4 343 B7R1.14 C1CNS(=O)(=O)C1 TS89279 [0,1,0,0,0,0|2,0,0]=3 344 B7R1.14 C1CNS(=O)(=O)N1 TS32506 [0,1,0,0,0,0|3,0,0]=4 345 B7R1.14 C1COP(=O)(O1)Cl TS08823 [0,1,0,0,0,0|3,0,0]=4 346 B7R1.14 C1COS(=O)(=O)C1 TS07867 [0,1,0,0,0,0|2,0,0]=3 347 B7R1.14 C1COS(=O)(=O)N1 TS89828 [0,1,0,0,0,0|3,0,0]=4 348 B7R1.14 C1COS(=O)(=O)O1 TS08741 [0,1,0,0,0,0|3,0,0]=4 349 B7R1.14 C1CS(=O)(=O)N=C1 TS89109 [0,1,0,0,0,0|2,0,1]=4 350 B7R1.14 CC1(CCCC1)C TS31456 [0,1,0,0,0,0|1,0,1]=3 351 B7R1.14 CC1(CCCN1)C TS89244 [0,1,0,0,0,0|2,0,1]=4 352 B7R1.14 CC1(CCNC1)C TS86689 [0,1,0,0,0,0|2,0,1]=4 353 B7R1.14 CC1(CCNC1)O TS87844 [0,1,0,0,0,0|1,0,2]=4 354 B7R1.14 CC1(CCOC1)N TS86382 [0,1,0,0,0,0|2,0,1]=4 355 B7R1.14 C[N+]1(CCCC1)C TS52453 [0,1,0,0,0,0|2,0,0]=3 356 B7R1.14 C[Si]1(CCCC1)C TS32125 [0,1,0,0,0,0|1,1,0]=3 357 B5R0.1 B(CCC)(O)O TS59317 [0,0,1,0,0,0|2,0,1]=4 358 B5R0.1 C#CCC(=O)O TS03477 [0,0,1,0,0,0|1,0,2]=4 359 B5R0.1 C(C#N)C(=O)N TS00078 [0,0,1,0,0,0|2,0,1]=4 360 B5R0.1 C(C#N)C(=O)O TS71730 [0,0,1,0,0,0|2,0,1]=4 361 B5R0.1 C(CBr)C(=N)N TS40973 [0,0,1,0,0,0|3,0,0]=4 362 B5R0.1 C(CBr)C(=O)N TS10109 [0,0,1,0,0,0|2,0,0]=3 363 B5R0.1 C(CBr)C(=O)O TS09493 [0,0,1,0,0,0|2,0,0]=3 364 B5R0.1 C(CCl)C(=O)Cl TS00146 [0,0,1,0,0,0|2,0,0]=3 365 B5R0.1 C(CCl)C(=O)N TS04118 [0,0,1,0,0,0|2,0,0]=3 366 B5R0.1 C(CCl)C(=O)O TS04159 [0,0,1,0,0,0|2,0,0]=3 367 B5R0.1 C(CI)C(=O)O TS18918 [0,0,1,0,0,0|2,0,0]=3 368 B5R0.1 C(CN)C(=O)N TS36032 [0,0,1,0,0,0|2,0,0]=3 369 B5R0.1 C(CN)C(=O)O TS02667 [0,0,1,0,0,0|2,0,0]=3 370 B5R0.1 C(CO)C(=O)O TS16373 [0,0,1,0,0,0|2,0,0]=3 371 B5R0.1 C(CO)[N+](=O)[O-] TS01787 [0,0,1,0,0,0|3,0,0]=4 372 B5R0.1 C(CP(=O)O)N TS94065 [0,0,1,0,0,0|3,0,0]=4 373 B5R0.1 C(CS(=O)O)N TS31804 [0,0,1,0,0,0|3,0,0]=4 374 B5R0.1 C(CS)C(=O)O TS04091 [0,0,1,0,0,0|2,0,0]=3 375 B5R0.1 C(OC(=O)Cl)Cl TS36381 [0,0,1,0,0,0|3,0,0]=4 376 B5R0.1 C(SC(=O)N)Cl TS36084 [0,0,1,0,0,0|3,0,0]=4 377 B5R0.1 C=C(CCO)Br TS40970 [0,0,1,0,0,0|2,0,1]=4 378 B5R0.1 C=CCC(=O)O TS03525 [0,0,1,0,0,0|1,0,2]=4 379 B5R0.1 CC#CC(=C)C TS71668 [0,0,1,0,0,0|1,0,2]=4 380 B5R0.1 CC#CC(=O)O TS55183 [0,0,1,0,0,0|1,0,2]=4 381 B5R0.1 CC(=C)CC#N TS03447 [0,0,1,0,0,0|2,0,1]=4 382 B5R0.1 CC(=C)CCO TS71766 [0,0,1,0,0,0|2,0,0]=3 383 B5R0.1 CC(=CCBr)C TS00408 [0,0,1,0,0,0|2,0,1]=4 384 B5R0.1 CC(=CCCl)C TS00047 [0,0,1,0,0,0|2,0,1]=4 385 B5R0.1 CC(=CCN)C TS04881 [0,0,1,0,0,0|2,0,1]=4 386 B5R0.1 CC(=CCN)C TS63606 [0,0,1,0,0,0|2,0,1]=4 387 B5R0.1 CC(=CCN)C TS70656 [0,0,1,0,0,0|2,0,1]=4 388 B5R0.1 CC(=CCO)C TS71763 [0,0,1,0,0,0|2,0,1]=4 389 B5R0.1 CC(=CCO)Cl TS31734 [0,0,1,0,0,0|2,0,1]=4 390 B5R0.1 CC(=CCS)C TS03985 [0,0,1,0,0,0|2,0,1]=4 391 B5R0.1 CC(=O)C=NO TS03554 [0,0,1,0,0,0|2,0,1]=4 392 B5R0.1 CC(=O)CC#N TS04063 [0,0,1,0,0,0|1,0,1]=3 393 B5R0.1 CC(=O)CCO TS39752 [0,0,1,0,0,0|1,0,0]=2 394 B5R0.1 CC(=O)CCS TS31678 [0,0,1,0,0,0|1,0,0]=2 395 B5R0.1 CC(=O)COC TS03573 [0,0,1,0,0,0|1,0,0]=2 396 B5R0.1 CC(=O)CSC TS31685 [0,0,1,0,0,0|1,0,0]=2 397 B5R0.1 CC(=O)NCO TS08902 [0,0,1,0,0,0|2,0,0]=3 398 B5R0.1 CC(=O)NSC TS31708 [0,0,1,0,0,0|2,0,0]=3 399 B5R0.1 CC(=O)OC=C TS03528 [0,0,1,0,0,0|1,0,2]=4 400 B5R0.1 CC(=O)OC=O TS71794 [0,0,1,0,0,0|2,0,1]=4 401 B5R0.1 CC(=O)OCBr TS16534 [0,0,1,0,0,0|2,0,0]=3 402 B5R0.1 CC(=O)OCCl TS55809 [0,0,1,0,0,0|2,0,0]=3 403 B5R0.1 CC(=O)O[Hg]C TS30965 [0,0,1,0,0,0|2,0,0]=3 404 B5R0.1 CC(=S)NOC TS31706 [0,0,1,0,0,0|2,1,0]=4 405 B5R0.1 CC(C)CCBr TS09985 [0,0,1,0,0,0|2,0,1]=4 406 B5R0.1 CC(C)CCCl TS31743 [0,0,1,0,0,0|2,0,1]=4 407 B5R0.1 CC(C)CCI TS18548 [0,0,1,0,0,0|2,0,1]=4 408 B5R0.1 CC(C)CCN TS71773 [0,0,1,0,0,0|2,0,1]=4 409 B5R0.1 CC(C)CCO TS71804 [0,0,1,0,0,0|2,0,1]=4 410 B5R0.1 CC(C)CCS TS31696 [0,0,1,0,0,0|2,0,1]=4 411 B5R0.1 CC(C)CC[Zn+] TS49167 [0,0,1,0,0,0|2,0,1]=4 412 B5R0.1 CC(C)CNC TS01600 [0,0,1,0,0,0|2,0,1]=4 413 B5R0.1 CC(C)CSC TS31693 [0,0,1,0,0,0|2,0,1]=4 414 B5R0.1 CC(CCBr)Br TS21967 [0,0,1,0,0,0|2,0,1]=4 415 B5R0.1 CC(CCN)O TS02231 [0,0,1,0,0,0|1,0,2]=4 416 B5R0.1 CC(CCO)N TS60329 [0,0,1,0,0,0|2,0,1]=4 417 B5R0.1 CC(CCO)O TS71832 [0,0,1,0,0,0|1,0,2]=4 418 B5R0.1 CC(CCS)S TS04931 [0,0,1,0,0,0|1,1,1]=4 419 B5R0.1 CC(COC)N TS03608 [0,0,1,0,0,0|2,0,1]=4 420 B5R0.1 CC(COC)O TS71841 [0,0,1,0,0,0|1,0,2]=4 421 B5R0.1 CC=CC(=O)C TS03499 [0,0,1,0,0,0|0,0,2]=3 422 B5R0.1 CC=CC(=O)Cl TS04051 [0,0,1,0,0,0|1,0,2]=4 423 B5R0.1 CC=CC(=O)N TS03508 [0,0,1,0,0,0|1,0,2]=4 424 B5R0.1 CC=CC(=O)O TS03526 [0,0,1,0,0,0|1,0,2]=4 425 B5R0.1 CC=CC(=O)[O-] TS05036 [0,0,1,0,0,0|1,0,2]=4 426 B5R0.1 CCC=C(C)C TS71718 [0,0,1,0,0,0|1,0,1]=3 427 B5R0.1 CCC=C(F)F TS03652 [0,0,1,0,0,0|2,0,1]=4 428 B5R0.1 CCCC(=C)C TS71722 [0,0,1,0,0,0|1,0,0]=2 429 B5R0.1 CCCC(=N)N TS03542 [0,0,1,0,0,0|2,0,0]=3 430 B5R0.1 CCCC(=N)N TS04952 [0,0,1,0,0,0|2,0,0]=3 431 B5R0.1 CCCC(=O)Br TS40964 [0,0,1,0,0,0|1,0,0]=2 432 B5R0.1 CCCC(=O)C TS71754 [0,0,1,0,0,0|0,0,0]=1 433 B5R0.1 CCCC(=O)Cl TS16539 [0,0,1,0,0,0|1,0,0]=2 434 B5R0.1 CCCC(=O)N TS03561 [0,0,1,0,0,0|1,0,0]=2 435 B5R0.1 CCCC(=O)O TS03572 [0,0,1,0,0,0|1,0,0]=2 436 B5R0.1 CCCC(=O)O TS63934 [0,0,1,0,0,0|1,0,0]=2 437 B5R0.1 CCCC(=O)[O-] TS04184 [0,0,1,0,0,0|1,0,0]=2 438 B5R0.1 CCCC(=O)[O-] TS04232 [0,0,1,0,0,0|1,0,0]=2 439 B5R0.1 CCCC(=O)[O-] TS44539 [0,0,1,0,0,0|1,0,0]=2 440 B5R0.1 CCCC(=S)Cl TS37257 [0,0,1,0,0,0|1,1,0]=3 441 B5R0.1 CCCC(=S)O TS04825 [0,0,1,0,0,0|1,0,1]=3 442 B5R0.1 CCCC(C)Br TS09989 [0,0,1,0,0,0|1,0,1]=3 443 B5R0.1 CCCC(C)Cl TS31741 [0,0,1,0,0,0|1,0,1]=3 444 B5R0.1 CCCC(C)I TS18550 [0,0,1,0,0,0|1,0,1]=3 445 B5R0.1 CCCC(C)O TS03596 [0,0,1,0,0,0|0,0,2]=3 446 B5R0.1 CCCC(C)S TS31692 [0,0,1,0,0,0|0,1,1]=3 447 B5R0.1 CCCC(C)[Zn+] TS49166 [0,0,1,0,0,0|1,0,1]=3 448 B5R0.1 CCCC(Cl)Cl TS36206 [0,0,1,0,0,0|2,0,1]=4 449 B5R0.1 CCCN(C)C TS71775 [0,0,1,0,0,0|2,0,0]=3 450 B5R0.1 CCCP(Cl)Cl TS07061 [0,0,1,0,0,0|3,0,0]=4 451 B5R0.1 CCC[C@@H](C)O TS71801 [0,0,1,0,0,0|0,0,2]=3 452 B5R0.1 CCC[C@H](C)O TS71800 [0,0,1,0,0,0|0,0,2]=3 453 B5R0.1 CCC[N+](=O)[O-] TS71821 [0,0,1,0,0,0|2,0,0]=3 454 B5R0.1 CCNC(=N)N TS04994 [0,0,1,0,0,0|3,0,0]=4 455 B5R0.1 CCNC(=O)C TS03563 [0,0,1,0,0,0|1,0,0]=2 456 B5R0.1 CCNC(=O)N TS03591 [0,0,1,0,0,0|2,0,0]=3 457 B5R0.1 CCNC(=S)N TS31687 [0,0,1,0,0,0|2,1,0]=4 458 B5R0.1 CCNC(=[NH2+])N TS56393 [0,0,1,0,0,0|3,0,0]=4 459 B5R0.1 CCNC(C)C TS71777 [0,0,1,0,0,0|2,0,1]=4 460 B5R0.1 CCOC(=C)C TS71753 [0,0,1,0,0,0|2,0,0]=3 461 B5R0.1 CCOC(=O)C TS03585 [0,0,1,0,0,0|1,0,0]=2 462 B5R0.1 CCOC(=O)C TS03625 [0,0,1,0,0,0|1,0,0]=2 463 B5R0.1 CCOC(=O)C TS71827 [0,0,1,0,0,0|1,0,0]=2 464 B5R0.1 CCOC(=O)Cl TS56143 [0,0,1,0,0,0|2,0,0]=3 465 B5R0.1 CCOC(=O)N TS59479 [0,0,1,0,0,0|2,0,0]=3 466 B5R0.1 CCOC(=S)C TS31684 [0,0,1,0,0,0|1,1,0]=3 467 B5R0.1 CCOC(=S)Cl TS36034 [0,0,1,0,0,0|2,1,0]=4 468 B5R0.1 CCOC(C)C TS03595 [0,0,1,0,0,0|2,0,1]=4 469 B5R0.1 CCOC(C)Cl TS04164 [0,0,1,0,0,0|2,0,1]=4 470 B5R0.1 CCO[SiH](C)C TS04048 [0,0,1,0,0,0|2,1,0]=4 471 B5R0.1 CCSC(=S)C TS32440 [0,0,1,0,0,0|1,1,0]=3 472 B5R0.1 CCSC(C)C TS31689 [0,0,1,0,0,0|2,0,1]=4 473 B5R0.1 CN(C)CCBr TS25321 [0,0,1,0,0,0|3,0,0]=4 474 B5R0.1 CN(C)CCN TS00990 [0,0,1,0,0,0|3,0,0]=4 475 B5R0.1 CN(C)CCO TS03600 [0,0,1,0,0,0|3,0,0]=4 476 B5R0.1 CN(C)CCS TS31711 [0,0,1,0,0,0|3,0,0]=4 477 B5R0.1 CN(C)CCS TS37538 [0,0,1,0,0,0|3,0,0]=4 478 B5R0.1 CN(C)CCS TS37540 [0,0,1,0,0,0|3,0,0]=4 479 B5R0.1 CNCC(=O)N TS36031 [0,0,1,0,0,0|2,0,0]=3 480 B5R0.1 CNCC(=O)O TS34582 [0,0,1,0,0,0|2,0,0]=3 481 B5R0.1 CNCC(=O)O TS36080 [0,0,1,0,0,0|2,0,0]=3 482 B5R0.1 CNCC(=O)[O-] TS04231 [0,0,1,0,0,0|2,0,0]=3 483 B5R0.1 COCC(=N)N TS36030 [0,0,1,0,0,0|3,0,0]=4 484 B5R0.1 COCC(=O)O TS03620 [0,0,1,0,0,0|2,0,0]=3 485 B5R0.1 CSCC(=N)N TS31686 [0,0,1,0,0,0|3,0,0]=4 486 B5R0.1 CSCC(=O)N TS93570 [0,0,1,0,0,0|2,0,0]=3 487 B5R0.1 CSCS(=O)C TS05065 [0,0,1,0,0,0|2,0,0]=3 488 B5R0.1 C[C@@H](CCO)O TS71843 [0,0,1,0,0,0|1,0,2]=4 489 B5R0.1 C[C@@H](COC)N TS03602 [0,0,1,0,0,0|2,0,1]=4 490 B5R0.1 C[C@@H](COC)O TS71834 [0,0,1,0,0,0|1,0,2]=4 491 B5R0.1 C[C@H](CCO)N TS93947 [0,0,1,0,0,0|2,0,1]=4 492 B5R0.1 C[C@H](CCO)O TS71835 [0,0,1,0,0,0|1,0,2]=4 493 B5R0.1 C[C@H](COC)O TS00301 [0,0,1,0,0,0|1,0,2]=4 494 B5R0.2 C#CCCCCl TS60430 [0,0,1,0,0,0|2,0,1]=4 495 B5R0.2 C#CCCCO TS71278 [0,0,1,0,0,0|2,0,1]=4 496 B5R0.2 C(C#N)OC=O TS71729 [0,0,1,0,0,0|2,0,1]=4 497 B5R0.2 C(CBr)N=C=O TS40811 [0,0,1,0,0,0|2,0,1]=4 498 B5R0.2 C(CC#N)C=O TS71698 [0,0,1,0,0,0|1,0,1]=3 499 B5R0.2 C(CC#N)CCl TS33156 [0,0,1,0,0,0|2,0,1]=4 500 B5R0.2 C(CC#N)CI TS17989 [0,0,1,0,0,0|2,0,1]=4 501 B5R0.2 C(CC#N)C[Zn+] TS21545 [0,0,1,0,0,0|2,0,1]=4 502 B5R0.2 C(CC=O)C=O TS03527 [0,0,1,0,0,0|1,0,1]=3 503 B5R0.2 C(CC=O)C=O TS58456 [0,0,1,0,0,0|1,0,1]=3 504 B5R0.2 C(CCBr)CBr TS07886 [0,0,1,0,0,0|2,0,1]=4 505 B5R0.2 C(CCBr)CCl TS45376 [0,0,1,0,0,0|2,0,1]=4 506 B5R0.2 C(CCBr)CF TS10539 [0,0,1,0,0,0|2,0,1]=4 507 B5R0.2 C(CCBr)CO TS39737 [0,0,1,0,0,0|1,0,2]=4 508 B5R0.2 C(CCCl)CCl TS36204 [0,0,1,0,0,0|2,0,1]=4 509 B5R0.2 C(CCCl)CO TS33155 [0,0,1,0,0,0|1,0,2]=4 510 B5R0.2 C(CCF)CF TS03666 [0,0,1,0,0,0|2,0,1]=4 511 B5R0.2 C(CCF)CO TS03655 [0,0,1,0,0,0|1,0,2]=4 512 B5R0.2 C(CCI)CCl TS49510 [0,0,1,0,0,0|2,0,1]=4 513 B5R0.2 C(CCI)CI TS76368 [0,0,1,0,0,0|2,0,1]=4 514 B5R0.2 C(CCO)CN TS03609 [0,0,1,0,0,0|1,0,2]=4 515 B5R0.2 C(CCO)CO TS00383 [0,0,1,0,0,0|1,0,2]=4 516 B5R0.2 C(CCS)CO TS04107 [0,0,1,0,0,0|1,0,2]=4 517 B5R0.2 C(CCS)CS TS04933 [0,0,1,0,0,0|1,1,1]=4 518 B5R0.2 C(CC[Zn+])CCl TS25983 [0,0,1,0,0,0|2,0,1]=4 519 B5R0.2 C(CCl)N=C=O TS31715 [0,0,1,0,0,0|2,0,1]=4 520 B5R0.2 C(CON)CS TS93047 [0,0,1,0,0,0|3,0,0]=4 521 B5R0.2 C=CCCC#N TS03446 [0,0,1,0,0,0|2,0,1]=4 522 B5R0.2 C=CCCC=C TS39876 [0,0,1,0,0,0|1,0,2]=4 523 B5R0.2 C=CCCC=O TS03486 [0,0,1,0,0,0|0,0,2]=3 524 B5R0.2 C=CCCCBr TS71399 [0,0,1,0,0,0|2,0,0]=3 525 B5R0.2 C=CCCCCl TS04057 [0,0,1,0,0,0|2,0,0]=3 526 B5R0.2 C=CCCCN TS03513 [0,0,1,0,0,0|2,0,0]=3 527 B5R0.2 C=CCCCN TS04880 [0,0,1,0,0,0|2,0,0]=3 528 B5R0.2 C=CCCCO TS33172 [0,0,1,0,0,0|2,0,0]=3 529 B5R0.2 C=CCCC[Zn+] TS44589 [0,0,1,0,0,0|2,0,0]=3 530 B5R0.2 C=CCC[Mg]Br TS42097 [0,0,1,0,0,0|3,0,0]=4 531 B5R0.2 C=CCNC=O TS03504 [0,0,1,0,0,0|1,0,2]=4 532 B5R0.2 C=CCOC=O TS71740 [0,0,1,0,0,0|1,0,2]=4 533 B5R0.2 C=COCCO TS03575 [0,0,1,0,0,0|3,0,0]=4 534 B5R0.2 CC#CCC=C TS71671 [0,0,1,0,0,0|1,0,2]=4 535 B5R0.2 CC=CCCO TS71749 [0,0,1,0,0,0|2,0,1]=4 536 B5R0.2 CCC#CC=C TS71669 [0,0,1,0,0,0|1,0,2]=4 537 B5R0.2 CCC=CC=C TS03467 [0,0,1,0,0,0|1,0,2]=4 538 B5R0.2 CCC=CC=O TS03498 [0,0,1,0,0,0|0,0,2]=3 539 B5R0.2 CCCC#CC TS71682 [0,0,1,0,0,0|1,0,2]=4 540 B5R0.2 CCCC#CI TS51737 [0,0,1,0,0,0|1,0,2]=4 541 B5R0.2 CCCC=NO TS03560 [0,0,1,0,0,0|1,0,2]=4 542 B5R0.2 CCCCC#C TS71687 [0,0,1,0,0,0|1,0,1]=3 543 B5R0.2 CCCCC#N TS71704 [0,0,1,0,0,0|1,0,1]=3 544 B5R0.2 CCCCC=C TS71713 [0,0,1,0,0,0|1,0,0]=2 545 B5R0.2 CCCCC=O TS71764 [0,0,1,0,0,0|0,0,0]=1 546 B5R0.2 CCCCCBr TS00039 [0,0,1,0,0,0|1,0,1]=3 547 B5R0.2 CCCCCCl TS31742 [0,0,1,0,0,0|1,0,1]=3 548 B5R0.2 CCCCCF TS71848 [0,0,1,0,0,0|1,0,1]=3 549 B5R0.2 CCCCCI TS18547 [0,0,1,0,0,0|1,0,1]=3 550 B5R0.2 CCCCCN TS71782 [0,0,1,0,0,0|1,0,1]=3 551 B5R0.2 CCCCCO TS46186 [0,0,1,0,0,0|0,0,2]=3 552 B5R0.2 CCCCCO TS71798 [0,0,1,0,0,0|0,0,2]=3 553 B5R0.2 CCCCCS TS31699 [0,0,1,0,0,0|0,1,1]=3 554 B5R0.2 CCCCC[Si] TS03986 [0,0,1,0,0,0|1,0,1]=3 555 B5R0.2 CCCCC[Zn+] TS49168 [0,0,1,0,0,0|1,0,1]=3 556 B5R0.2 CCCCNC TS71774 [0,0,1,0,0,0|2,0,0]=3 557 B5R0.2 CCCCNN TS14187 [0,0,1,0,0,0|2,0,0]=3 558 B5R0.2 CCCCNN TS36035 [0,0,1,0,0,0|2,0,0]=3 559 B5R0.2 CCCCON TS36085 [0,0,1,0,0,0|2,0,0]=3 560 B5R0.2 CCCCON TS93805 [0,0,1,0,0,0|2,0,0]=3 561 B5R0.2 CCCCSC TS31691 [0,0,1,0,0,0|2,0,0]=3 562 B5R0.2 CCCC[Mg]Br TS11455 [0,0,1,0,0,0|2,0,0]=3 563 B5R0.2 CCCC[Mg]Cl TS32260 [0,0,1,0,0,0|2,0,0]=3 564 B5R0.2 CCCC[N+]#[C-] TS71702 [0,0,1,0,0,0|2,0,0]=3 565 B5R0.2 CCCC[Sn]=O TS17583 [0,0,1,0,0,0|1,0,0]=2 566 B5R0.2 CCCN=C=O TS03505 [0,0,1,0,0,0|1,0,1]=3 567 B5R0.2 CCCN=C=S TS03915 [0,0,1,0,0,0|1,1,1]=4 568 B5R0.2 CCCNCC TS71783 [0,0,1,0,0,0|2,0,1]=4 569 B5R0.2 CCCOC=C TS29507 [0,0,1,0,0,0|2,0,0]=3 570 B5R0.2 CCCOC=O TS03584 [0,0,1,0,0,0|1,0,0]=2 571 B5R0.2 CCCOCC TS71799 [0,0,1,0,0,0|2,0,1]=4 572 B5R0.2 CCCOCCl TS04165 [0,0,1,0,0,0|2,0,1]=4 573 B5R0.2 CCCON=O TS71824 [0,0,1,0,0,0|2,0,0]=3 574 B5R0.2 CCCSC#N TS03911 [0,0,1,0,0,0|2,0,1]=4 575 B5R0.2 CCCSCC TS31700 [0,0,1,0,0,0|2,0,1]=4 576 B5R0.2 CCCSSC TS04934 [0,0,1,0,0,0|3,0,0]=4 577 B5R0.2 CCNCCN TS71809 [0,0,1,0,0,0|2,0,1]=4 578 B5R0.2 CCNCCO TS00085 [0,0,1,0,0,0|1,0,2]=4 579 B5R0.2 CCOC=CBr TS40963 [0,0,1,0,0,0|2,0,1]=4 580 B5R0.2 CCOC=CC TS71751 [0,0,1,0,0,0|2,0,1]=4 581 B5R0.2 CCOCC=C TS71744 [0,0,1,0,0,0|2,0,0]=3 582 B5R0.2 CCOCCBr TS10269 [0,0,1,0,0,0|2,0,1]=4 583 B5R0.2 CCOCCCl TS04162 [0,0,1,0,0,0|2,0,1]=4 584 B5R0.2 CCOCCO TS71837 [0,0,1,0,0,0|1,0,2]=4 585 B5R0.2 CCSCC=C TS03981 [0,0,1,0,0,0|2,0,0]=3 586 B5R0.2 CCSCCBr TS44968 [0,0,1,0,0,0|2,0,1]=4 587 B5R0.2 CCSCCCl TS36036 [0,0,1,0,0,0|2,0,1]=4 588 B5R0.2 CCSCCN TS31712 [0,0,1,0,0,0|2,0,1]=4 589 B5R0.2 CCSCCN TS37539 [0,0,1,0,0,0|2,0,1]=4 590 B5R0.2 CCSCCO TS59769 [0,0,1,0,0,0|1,0,2]=4 591 B5R0.2 CNCCC#N TS03502 [0,0,1,0,0,0|2,0,1]=4 592 B5R0.2 CNCCCCl TS40140 [0,0,1,0,0,0|2,0,1]=4 593 B5R0.2 CNCCCN TS71808 [0,0,1,0,0,0|2,0,1]=4 594 B5R0.2 CNCCNC TS56355 [0,0,1,0,0,0|3,0,0]=4 595 B5R0.2 CNCCOC TS03607 [0,0,1,0,0,0|3,0,0]=4 596 B5R0.2 COC=CC=O TS71739 [0,0,1,0,0,0|1,0,2]=4 597 B5R0.2 COCCC#N TS46471 [0,0,1,0,0,0|2,0,1]=4 598 B5R0.2 COCCCBr TS10272 [0,0,1,0,0,0|2,0,1]=4 599 B5R0.2 COCCCCl TS04163 [0,0,1,0,0,0|2,0,1]=4 600 B5R0.2 COCCCN TS03603 [0,0,1,0,0,0|2,0,1]=4 601 B5R0.2 COCCCO TS70643 [0,0,1,0,0,0|1,0,2]=4 602 B5R0.2 COCCOC TS07877 [0,0,1,0,0,0|3,0,0]=4 603 B5R0.2 COCC[Hg]Cl TS58532 [0,0,1,0,0,0|3,0,0]=4 604 B5R0.2 CSCCCN TS65714 [0,0,1,0,0,0|2,0,1]=4 605 B5R0.2 CSCCCO TS04105 [0,0,1,0,0,0|1,0,2]=4 606 B5R0.2 CSSCC=C TS32437 [0,0,1,0,0,0|3,0,0]=4 607 B5R0.2 C[SiH2]CC[SiH2]C TS04760 [0,0,1,0,0,0|1,2,0]=4 608 B5R0.3 C(C(=O)CBr)Br TS21961 [0,0,1,0,0,0|2,0,0]=3 609 B5R0.3 C(C(=O)CCl)Cl TS36200 [0,0,1,0,0,0|2,0,0]=3 610 B5R0.3 C(C(=O)CF)F TS03661 [0,0,1,0,0,0|2,0,0]=3 611 B5R0.3 C(C(=O)CI)I TS60842 [0,0,1,0,0,0|2,0,0]=3 612 B5R0.3 C(C(=O)CN)N TS11357 [0,0,1,0,0,0|2,0,0]=3 613 B5R0.3 C(C(=O)CO)O TS46803 [0,0,1,0,0,0|2,0,0]=3 614 B5R0.3 C=C(CCl)CCl TS39712 [0,0,1,0,0,0|3,0,0]=4 615 B5R0.3 C=C(CO)CO TS65602 [0,0,1,0,0,0|3,0,0]=4 616 B5R0.3 C=CC(=O)CBr TS00417 [0,0,1,0,0,0|1,0,2]=4 617 B5R0.3 CC=C(CO)Br TS40966 [0,0,1,0,0,0|2,0,1]=4 618 B5R0.3 CCC(=C)C=C TS71686 [0,0,1,0,0,0|1,0,2]=4 619 B5R0.3 CCC(=C)CC TS71714 [0,0,1,0,0,0|1,0,0]=2 620 B5R0.3 CCC(=NO)C TS03558 [0,0,1,0,0,0|3,0,0]=4 621 B5R0.3 CCC(=O)C=C TS03496 [0,0,1,0,0,0|0,0,2]=3 622 B5R0.3 CCC(=O)C=O TS03524 [0,0,1,0,0,0|1,0,1]=3 623 B5R0.3 CCC(=O)CBr TS00020 [0,0,1,0,0,0|1,0,0]=2 624 B5R0.3 CCC(=O)CC TS00240 [0,0,1,0,0,0|0,0,0]=1 625 B5R0.3 CCC(=O)CCl TS31736 [0,0,1,0,0,0|1,0,0]=2 626 B5R0.3 CCC(=O)CO TS05538 [0,0,1,0,0,0|1,0,0]=2 627 B5R0.3 CCC(=O)NC TS03562 [0,0,1,0,0,0|1,0,0]=2 628 B5R0.3 CCC(=O)NN TS03589 [0,0,1,0,0,0|2,0,0]=3 629 B5R0.3 CCC(=O)OC TS03587 [0,0,1,0,0,0|1,0,0]=2 630 B5R0.3 CCC(=S)OC TS31680 [0,0,1,0,0,0|1,1,0]=3 631 B5R0.3 CCC(C)CBr TS09987 [0,0,1,0,0,0|2,0,1]=4 632 B5R0.3 CCC(C)CC TS03546 [0,0,1,0,0,0|1,0,1]=3 633 B5R0.3 CCC(C)CCl TS31746 [0,0,1,0,0,0|2,0,1]=4 634 B5R0.3 CCC(C)CI TS18546 [0,0,1,0,0,0|2,0,1]=4 635 B5R0.3 CCC(C)CN TS71788 [0,0,1,0,0,0|2,0,1]=4 636 B5R0.3 CCC(C)CO TS03593 [0,0,1,0,0,0|2,0,1]=4 637 B5R0.3 CCC(C)CS TS31698 [0,0,1,0,0,0|2,0,1]=4 638 B5R0.3 CCC(C)NC TS04995 [0,0,1,0,0,0|2,0,1]=4 639 B5R0.3 CCC(C)NC TS71785 [0,0,1,0,0,0|2,0,1]=4 640 B5R0.3 CCC(C)OC TS71803 [0,0,1,0,0,0|2,0,1]=4 641 B5R0.3 CCC(C)SC TS31697 [0,0,1,0,0,0|2,0,1]=4 642 B5R0.3 CCC(CBr)Br TS21966 [0,0,1,0,0,0|2,0,1]=4 643 B5R0.3 CCC(CBr)Cl TS13062 [0,0,1,0,0,0|2,0,1]=4 644 B5R0.3 CCC(CBr)O TS10270 [0,0,1,0,0,0|1,0,2]=4 645 B5R0.3 CCC(CC)Br TS09988 [0,0,1,0,0,0|1,0,1]=3 646 B5R0.3 CCC(CC)Cl TS31745 [0,0,1,0,0,0|1,0,1]=3 647 B5R0.3 CCC(CC)F TS71849 [0,0,1,0,0,0|1,0,1]=3 648 B5R0.3 CCC(CC)I TS18549 [0,0,1,0,0,0|1,0,1]=3 649 B5R0.3 CCC(CC)N TS00440 [0,0,1,0,0,0|1,0,1]=3 650 B5R0.3 CCC(CC)O TS00239 [0,0,1,0,0,0|0,0,2]=3 651 B5R0.3 CCC(CC)[Zn+] TS49169 [0,0,1,0,0,0|1,0,1]=3 652 B5R0.3 CCC(CCl)Cl TS36203 [0,0,1,0,0,0|2,0,1]=4 653 B5R0.3 CCC(CN)N TS71807 [0,0,1,0,0,0|2,0,1]=4 654 B5R0.3 CCC(CN)O TS03604 [0,0,1,0,0,0|1,0,2]=4 655 B5R0.3 CCC(CO)N TS03601 [0,0,1,0,0,0|2,0,1]=4 656 B5R0.3 CCC(CS)S TS04932 [0,0,1,0,0,0|1,1,1]=4 657 B5R0.3 CCN(C)CC TS71781 [0,0,1,0,0,0|2,0,0]=3 658 B5R0.3 CCN(CC)O TS03599 [0,0,1,0,0,0|1,0,1]=3 659 B5R0.3 CCP(CC)Cl TS36025 [0,0,1,0,0,0|2,0,0]=3 660 B5R0.3 CCS(=O)CC TS04104 [0,0,1,0,0,0|1,0,0]=2 661 B5R0.3 CC[Al](CC)Cl TS27650 [0,0,1,0,0,0|2,0,0]=3 662 B5R0.3 CC[C@@H](CO)O TS71836 [0,0,1,0,0,0|1,0,2]=4 663 B5R0.3 CC[C@H](C)CBr TS39655 [0,0,1,0,0,0|2,0,1]=4 664 B5R0.3 CC[C@H](C)CCl TS31744 [0,0,1,0,0,0|2,0,1]=4 665 B5R0.3 CC[C@H](CO)N TS03605 [0,0,1,0,0,0|2,0,1]=4 666 B5R0.3 CC[C@H](CO)O TS71838 [0,0,1,0,0,0|1,0,2]=4 667 B5R0.3 CC[SiH](C)CC TS03988 [0,0,1,0,0,0|1,1,0]=3 668 B5R0.3 CC[Sn](=O)CC TS17584 [0,0,1,0,0,0|1,0,0]=2 669 B5R0.3 CNC(=N)SC TS94298 [0,0,1,0,0,0|3,0,0]=4 670 B5R0.3 CNC(=O)CCl TS04119 [0,0,1,0,0,0|2,0,0]=3 671 B5R0.3 CNC(=O)CN TS36033 [0,0,1,0,0,0|2,0,0]=3 672 B5R0.3 CNC(=O)NC TS08682 [0,0,1,0,0,0|2,0,0]=3 673 B5R0.3 CNC(=S)NC TS07883 [0,0,1,0,0,0|2,1,0]=4 674 B5R0.3 COC(=O)C#C TS01555 [0,0,1,0,0,0|1,0,2]=4 675 B5R0.3 COC(=O)C#N TS71728 [0,0,1,0,0,0|2,0,1]=4 676 B5R0.3 COC(=O)C=C TS03529 [0,0,1,0,0,0|1,0,2]=4 677 B5R0.3 COC(=O)C=O TS65230 [0,0,1,0,0,0|2,0,1]=4 678 B5R0.3 COC(=O)CBr TS08895 [0,0,1,0,0,0|2,0,0]=3 679 B5R0.3 COC(=O)CCl TS39826 [0,0,1,0,0,0|2,0,0]=3 680 B5R0.3 COC(=O)CF TS65235 [0,0,1,0,0,0|2,0,0]=3 681 B5R0.3 COC(=O)CN TS36079 [0,0,1,0,0,0|2,0,0]=3 682 B5R0.3 COC(=O)CN TS93910 [0,0,1,0,0,0|2,0,0]=3 683 B5R0.3 COC(=O)CO TS03617 [0,0,1,0,0,0|2,0,0]=3 684 B5R0.3 COC(=O)CS TS39888 [0,0,1,0,0,0|2,0,0]=3 685 B5R0.3 COC(=O)NN TS65196 [0,0,1,0,0,0|3,0,0]=4 686 B5R0.3 COC(=O)OC TS33240 [0,0,1,0,0,0|2,0,0]=3 687 B5R0.3 COC(=O)SCl TS36190 [0,0,1,0,0,0|3,0,0]=4 688 B5R0.3 COS(=O)OC TS31831 [0,0,1,0,0,0|3,0,0]=4 689 B5R0.3 CSC(=C)SC TS32439 [0,0,1,0,0,0|3,0,0]=4 690 B5R0.3 CSC(=O)SC TS04928 [0,0,1,0,0,0|2,0,0]=3 691 B5R0.3 CSC(=S)SC TS37238 [0,0,1,0,0,0|2,1,0]=4 692 B7R2.13 C1C2C(O2)CO1 TS65746 [0,0,0,1,0,0|1,0,2]=4 693 B7R2.13 C1C2C1CNC2 TS86763 [0,0,0,1,0,0|2,0,1]=4 694 B7R2.13 C1CC2C(C1)O2 TS55825 [0,0,0,1,0,0|0,0,2]=3 695 B7R2.13 C1CNC2C1C2 TS90381 [0,0,0,1,0,0|2,0,1]=4 696 B5R1.2 C1C(=O)CN1 TS03373 [0,0,0,0,1,0|1,0,0]=2 697 B5R1.2 C1C(=O)CN1 TS46446 [0,0,0,0,1,0|1,0,0]=2 698 B5R1.2 C1C(=O)CO1 TS70694 [0,0,0,0,1,0|1,0,0]=2 699 B5R1.2 C1C(=O)CS1 TS90454 [0,0,0,0,1,0|1,0,0]=2 700 B5R1.2 C1C(CN1)N TS88575 [0,0,0,0,1,0|2,0,1]=4 701 B5R1.2 C1C(CN1)N TS92985 [0,0,0,0,1,0|2,0,1]=4 702 B5R1.2 C1C(CN1)O TS00225 [0,0,0,0,1,0|1,0,2]=4 703 B5R1.2 C1C(CN1)O TS65705 [0,0,0,0,1,0|1,0,2]=4 704 B5R1.2 C1C(CN1)S TS87598 [0,0,0,0,1,0|1,1,1]=4 705 B5R1.2 C1C(CO1)Br TS65955 [0,0,0,0,1,0|2,0,1]=4 706 B5R1.2 C1C(CO1)Cl TS91374 [0,0,0,0,1,0|2,0,1]=4 707 B5R1.2 C1C(CO1)I TS70631 [0,0,0,0,1,0|2,0,1]=4 708 B5R1.2 C1C(CO1)N TS90822 [0,0,0,0,1,0|2,0,1]=4 709 B5R1.2 C1C(CO1)O TS02791 [0,0,0,0,1,0|1,0,2]=4 710 B5R1.2 C1C(CO1)S TS90997 [0,0,0,0,1,0|1,1,1]=4 711 B5R1.2 C1C(CS1)N TS85859 [0,0,0,0,1,0|2,0,1]=4 712 B5R1.2 C1CC(=O)C1 TS01399 [0,0,0,0,1,0|0,0,0]=1 713 B5R1.2 C1CC(C1)Br TS36910 [0,0,0,0,1,0|1,0,1]=3 714 B5R1.2 C1CC(C1)Cl TS03632 [0,0,0,0,1,0|1,0,1]=3 715 B5R1.2 C1CC(C1)N TS03375 [0,0,0,0,1,0|1,0,1]=3 716 B5R1.2 C1CC(C1)N TS04122 [0,0,0,0,1,0|1,0,1]=3 717 B5R1.2 C1CC(C1)O TS59758 [0,0,0,0,1,0|0,0,2]=3 718 B5R1.2 C1CNC1=O TS55052 [0,0,0,0,1,0|1,0,0]=2 719 B5R1.2 C1COC1=O TS71591 [0,0,0,0,1,0|1,0,0]=2 720 B5R1.2 CC1CCN1 TS71588 [0,0,0,0,1,0|2,0,1]=4 721 B7R1.3 B1(OCCCO1)[O-] TS27073 [0,0,0,0,0,1|2,0,1]=4 722 B7R1.3 B=[O+2]1CCSCC1 TS32312 [0,0,0,0,0,1|2,0,0]=3 723 B7R1.3 C1C(COCO1)O TS31668 [0,0,0,0,0,1|1,0,2]=4 724 B7R1.3 C1CC(=O)CNC1 TS02886 [0,0,0,0,0,1|0,0,0]=1 725 B7R1.3 C1CC(=O)CNC1 TS59353 [0,0,0,0,0,1|0,0,0]=1 726 B7R1.3 C1CC(=O)COC1 TS22954 [0,0,0,0,0,1|0,0,0]=1 727 B7R1.3 C1CC(=O)COC1 TS89862 [0,0,0,0,0,1|0,0,0]=1 728 B7R1.3 C1CC(=O)CSC1 TS90226 [0,0,0,0,0,1|0,0,0]=1 729 B7R1.3 C1CC(CC=C1)Br TS11358 [0,0,0,0,0,1|1,0,2]=4 730 B7R1.3 C1CC(CC=C1)Cl TS04655 [0,0,0,0,0,1|1,0,2]=4 731 B7R1.3 C1CC(CC=C1)O TS31422 [0,0,0,0,0,1|0,0,3]=4 732 B7R1.3 C1CC(CNC1)Br TS09491 [0,0,0,0,0,1|1,0,1]=3 733 B7R1.3 C1CC(CNC1)Br TS42661 [0,0,0,0,0,1|1,0,1]=3 734 B7R1.3 C1CC(CNC1)Cl TS41570 [0,0,0,0,0,1|1,0,1]=3 735 B7R1.3 C1CC(CNC1)F TS37316 [0,0,0,0,0,1|1,0,1]=3 736 B7R1.3 C1CC(CNC1)N TS02666 [0,0,0,0,0,1|1,0,1]=3 737 B7R1.3 C1CC(CNC1)O TS02796 [0,0,0,0,0,1|0,0,2]=3 738 B7R1.3 C1CC(CNC1)O TS16254 [0,0,0,0,0,1|0,0,2]=3 739 B7R1.3 C1CC(CNC1)O TS28091 [0,0,0,0,0,1|0,0,2]=3 740 B7R1.3 C1CC(CNC1)S TS91720 [0,0,0,0,0,1|0,1,1]=3 741 B7R1.3 C1CC(COC1)Br TS42847 [0,0,0,0,0,1|1,0,1]=3 742 B7R1.3 C1CC(COC1)I TS44102 [0,0,0,0,0,1|1,0,1]=3 743 B7R1.3 C1CC(COC1)N TS39962 [0,0,0,0,0,1|1,0,1]=3 744 B7R1.3 C1CC(COC1)N TS90719 [0,0,0,0,0,1|1,0,1]=3 745 B7R1.3 C1CC(COC1)O TS59831 [0,0,0,0,0,1|0,0,2]=3 746 B7R1.3 C1CC=CC(=O)C1 TS39840 [0,0,0,0,0,1|0,0,1]=2 747 B7R1.3 C1CC=CC(C1)Br TS11359 [0,0,0,0,0,1|1,0,2]=4 748 B7R1.3 C1CC=CC(C1)Cl TS04653 [0,0,0,0,0,1|1,0,2]=4 749 B7R1.3 C1CC=CC(C1)O TS59964 [0,0,0,0,0,1|0,0,3]=4 750 B7R1.3 C1CCC(=CC1)Cl TS04654 [0,0,0,0,0,1|1,0,0]=2 751 B7R1.3 C1CCC(=O)CC1 TS31441 [0,0,0,0,0,1|0,0,0]=1 752 B7R1.3 C1CCC(CC1)Br TS33231 [0,0,0,0,0,1|1,0,1]=3 753 B7R1.3 C1CCC(CC1)Cl TS39830 [0,0,0,0,0,1|1,0,1]=3 754 B7R1.3 C1CCC(CC1)F TS31606 [0,0,0,0,0,1|1,0,1]=3 755 B7R1.3 C1CCC(CC1)I TS43723 [0,0,0,0,0,1|1,0,1]=3 756 B7R1.3 C1CCC(CC1)N TS03833 [0,0,0,0,0,1|1,0,1]=3 757 B7R1.3 C1CCC(CC1)N TS06026 [0,0,0,0,0,1|1,0,1]=3 758 B7R1.3 C1CCC(CC1)N TS14508 [0,0,0,0,0,1|1,0,1]=3 759 B7R1.3 C1CCC(CC1)N TS18426 [0,0,0,0,0,1|1,0,1]=3 760 B7R1.3 C1CCC(CC1)O TS31506 [0,0,0,0,0,1|0,0,2]=3 761 B7R1.3 C1CCC(CC1)P TS04576 [0,0,0,0,0,1|1,0,1]=3 762 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [0,0,0,0,0,1|1,0,1]=3 763 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [0,0,0,0,0,1|1,0,1]=3 764 B7R1.3 C1CCN(CC1)N TS03873 [0,0,0,0,0,1|2,0,0]=3 765 B7R1.3 C1CCN(CC1)N TS06144 [0,0,0,0,0,1|2,0,0]=3 766 B7R1.3 C1CCN(CC1)O TS31559 [0,0,0,0,0,1|1,0,1]=3 767 B7R1.3 C1CCNC(=N)C1 TS05957 [0,0,0,0,0,1|1,0,0]=2 768 B7R1.3 C1CCNC(=O)C1 TS01420 [0,0,0,0,0,1|0,0,0]=1 769 B7R1.3 C1CCNC(C1)Br TS42662 [0,0,0,0,0,1|1,0,1]=3 770 B7R1.3 C1CCNC(C1)Cl TS04802 [0,0,0,0,0,1|1,0,1]=3 771 B7R1.3 C1CCNC(C1)N TS03877 [0,0,0,0,0,1|1,0,1]=3 772 B7R1.3 C1CCNC(C1)O TS03900 [0,0,0,0,0,1|0,0,2]=3 773 B7R1.3 C1CCOC(=O)C1 TS01892 [0,0,0,0,0,1|0,0,0]=1 774 B7R1.3 C1CCOC(C1)O TS31590 [0,0,0,0,0,1|0,0,2]=3 775 B7R1.3 C1CN(CCN1)N TS03908 [0,0,0,0,0,1|2,0,0]=3 776 B7R1.3 C1CNC(=NC1)S TS04615 [0,0,0,0,0,1|1,1,0]=3 777 B7R1.3 C1CNC(=O)CN1 TS59349 [0,0,0,0,0,1|1,0,0]=2 778 B7R1.3 C1CNC(=O)NC1 TS59429 [0,0,0,0,0,1|1,0,0]=2 779 B7R1.3 C1CNCCC1=O TS02248 [0,0,0,0,0,1|0,0,0]=1 780 B7R1.3 C1CNCCC1=O TS71284 [0,0,0,0,0,1|0,0,0]=1 781 B7R1.3 C1CNCCC1Br TS71009 [0,0,0,0,0,1|1,0,1]=3 782 B7R1.3 C1CNCCC1Cl TS09688 [0,0,0,0,0,1|1,0,1]=3 783 B7R1.3 C1CNCCC1F TS03995 [0,0,0,0,0,1|1,0,1]=3 784 B7R1.3 C1CNCCC1F TS09127 [0,0,0,0,0,1|1,0,1]=3 785 B7R1.3 C1CNCCC1N TS08873 [0,0,0,0,0,1|1,0,1]=3 786 B7R1.3 C1CNCCC1N TS70915 [0,0,0,0,0,1|1,0,1]=3 787 B7R1.3 C1CNCCC1O TS37141 [0,0,0,0,0,1|0,0,2]=3 788 B7R1.3 C1CNCCC1O TS71282 [0,0,0,0,0,1|0,0,2]=3 789 B7R1.3 C1CNCCC1S TS89665 [0,0,0,0,0,1|0,1,1]=3 790 B7R1.3 C1COC(=O)C=C1 TS03767 [0,0,0,0,0,1|0,0,2]=3 791 B7R1.3 C1COC(=O)CO1 TS31576 [0,0,0,0,0,1|1,0,0]=2 792 B7R1.3 C1COC(=O)OC1 TS31584 [0,0,0,0,0,1|1,0,0]=2 793 B7R1.3 C1COCC(=O)N1 TS01573 [0,0,0,0,0,1|1,0,0]=2 794 B7R1.3 C1COCCC1=O TS59431 [0,0,0,0,0,1|0,0,0]=1 795 B7R1.3 C1COCCC1Br TS09616 [0,0,0,0,0,1|1,0,1]=3 796 B7R1.3 C1COCCC1Cl TS32447 [0,0,0,0,0,1|1,0,1]=3 797 B7R1.3 C1COCCC1I TS09723 [0,0,0,0,0,1|1,0,1]=3 798 B7R1.3 C1COCCC1N TS11397 [0,0,0,0,0,1|1,0,1]=3 799 B7R1.3 C1COCCC1N TS70925 [0,0,0,0,0,1|1,0,1]=3 800 B7R1.3 C1COCCC1N TS70926 [0,0,0,0,0,1|1,0,1]=3 801 B7R1.3 C1COCCC1O TS59433 [0,0,0,0,0,1|0,0,2]=3 802 B7R1.3 C1COCCC1O TS85905 [0,0,0,0,0,1|0,0,2]=3 803 B7R1.3 C1COCCN1N TS31603 [0,0,0,0,0,1|2,0,0]=3 804 B7R1.3 C1COCCN1N TS37255 [0,0,0,0,0,1|2,0,0]=3 805 B7R1.3 C1COS(=O)OC1 TS85276 [0,0,0,0,0,1|2,0,0]=3 806 B7R1.3 C1CSCCC1=O TS59432 [0,0,0,0,0,1|0,0,0]=1 807 B7R1.3 C1CSCCC1N TS59442 [0,0,0,0,0,1|1,0,1]=3 808 B7R1.3 C1CSCCC1O TS59441 [0,0,0,0,0,1|0,0,2]=3 809 B7R1.3 C1C[C@@H](CNC1)F TS89045 [0,0,0,0,0,1|1,0,1]=3 810 B7R1.3 C1C[C@@H](CNC1)N TS03872 [0,0,0,0,0,1|1,0,1]=3 811 B7R1.3 C1C[C@@H](CNC1)O TS46664 [0,0,0,0,0,1|0,0,2]=3 812 B7R1.3 C1C[C@H](CNC1)F TS92720 [0,0,0,0,0,1|1,0,1]=3 813 B7R1.3 C1C[C@H](CNC1)N TS93699 [0,0,0,0,0,1|1,0,1]=3 814 B7R1.3 C1C[C@H](CNC1)O TS88232 [0,0,0,0,0,1|0,0,2]=3 815 B7R1.3 C1C[C@H](CNC1)O TS89282 [0,0,0,0,0,1|0,0,2]=3 816 B7R1.3 C1NCNC(=S)N1 TS04687 [0,0,0,0,0,1|2,1,0]=4 817 B7R1.3 CC1CCCCC1 TS02317 [0,0,0,0,0,1|1,0,1]=3 818 B7R1.3 CC1CCCCO1 TS31512 [0,0,0,0,0,1|1,0,1]=3 819 B7R1.3 CC1CCCNC1 TS70672 [0,0,0,0,0,1|1,0,1]=3 820 B7R1.3 CC1CCNCC1 TS03831 [0,0,0,0,0,1|1,0,1]=3 821 B7R1.3 CC1CCOCO1 TS03947 [0,0,0,0,0,1|2,0,1]=4 822 B7R1.3 CC1CNCCO1 TS02170 [0,0,0,0,0,1|2,0,1]=4 823 B7R1.3 CC1SCCCS1 TS16705 [0,0,0,0,0,1|2,0,1]=4 824 B7R1.3 CN1CCCCC1 TS03834 [0,0,0,0,0,1|2,0,0]=3 825 B7R1.3 CN1CCNCC1 TS00495 [0,0,0,0,0,1|2,0,0]=3 826 B7R1.3 CN1CCNCC1 TS45581 [0,0,0,0,0,1|2,0,0]=3 827 B7R1.3 CN1CCOCC1 TS37142 [0,0,0,0,0,1|2,0,0]=3 828 B7R1.3 CN1CCOCC1 TS39917 [0,0,0,0,0,1|2,0,0]=3 829 B7R1.3 C[C@@H]1CCCCN1 TS03835 [0,0,0,0,0,1|1,0,1]=3 830 B7R1.3 C[C@@H]1CNCCN1 TS08073 [0,0,0,0,0,1|2,0,1]=4 831 B7R1.3 C[C@@H]1CNCCO1 TS03899 [0,0,0,0,0,1|2,0,1]=4 832 B7R1.3 C[C@@H]1CNCCO1 TS08072 [0,0,0,0,0,1|2,0,1]=4 833 B7R1.3 C[C@@H]1COCCN1 TS01972 [0,0,0,0,0,1|2,0,1]=4 834 B7R1.3 C[C@H]1CNCCN1 TS06145 [0,0,0,0,0,1|2,0,1]=4 835 B7R1.3 C[C@H]1CNCCN1 TS22969 [0,0,0,0,0,1|2,0,1]=4 836 B7R1.3 C[C@H]1CNCCN1 TS45580 [0,0,0,0,0,1|2,0,1]=4 837 B7R1.3 C[C@H]1CNCCO1 TS89643 [0,0,0,0,0,1|2,0,1]=4 838 B7R1.3 C[C@H]1COCCN1 TS46666 [0,0,0,0,0,1|2,0,1]=4 839 B4R0.1 BC(=O)OC TS05627 [1,0,1,0,0,0|2,0,0]=4 840 B4R0.1 C(C(=O)Br)Br TS65193 [1,0,1,0,0,0|2,0,0]=4 841 B4R0.1 C(C(=O)Cl)Br TS41828 [1,0,1,0,0,0|2,0,0]=4 842 B4R0.1 C(C(=O)Cl)Cl TS31992 [1,0,1,0,0,0|2,0,0]=4 843 B4R0.1 C(C(=O)Cl)F TS64901 [1,0,1,0,0,0|2,0,0]=4 844 B4R0.1 C(C(=O)Cl)I TS38699 [1,0,1,0,0,0|2,0,0]=4 845 B4R0.1 C(C(=O)F)Cl TS03738 [1,0,1,0,0,0|2,0,0]=4 846 B4R0.1 C(C(=O)F)F TS71660 [1,0,1,0,0,0|2,0,0]=4 847 B4R0.1 C(C(=O)N)Br TS55147 [1,0,1,0,0,0|2,0,0]=4 848 B4R0.1 C(C(=O)N)Cl TS71884 [1,0,1,0,0,0|2,0,0]=4 849 B4R0.1 C(C(=O)N)F TS03417 [1,0,1,0,0,0|2,0,0]=4 850 B4R0.1 C(C(=O)N)I TS39674 [1,0,1,0,0,0|2,0,0]=4 851 B4R0.1 C(C(=O)N)N TS36806 [1,0,1,0,0,0|2,0,0]=4 852 B4R0.1 C(C(=O)N)N TS39640 [1,0,1,0,0,0|2,0,0]=4 853 B4R0.1 C(C(=O)N)O TS71626 [1,0,1,0,0,0|2,0,0]=4 854 B4R0.1 C(C(=O)N)S TS03643 [1,0,1,0,0,0|2,0,0]=4 855 B4R0.1 C(C(=O)O)Br TS06335 [1,0,1,0,0,0|2,0,0]=4 856 B4R0.1 C(C(=O)O)Br TS37324 [1,0,1,0,0,0|2,0,0]=4 857 B4R0.1 C(C(=O)O)Br TS37325 [1,0,1,0,0,0|2,0,0]=4 858 B4R0.1 C(C(=O)O)Br TS37462 [1,0,1,0,0,0|2,0,0]=4 859 B4R0.1 C(C(=O)O)Cl TS03683 [1,0,1,0,0,0|2,0,0]=4 860 B4R0.1 C(C(=O)O)F TS03424 [1,0,1,0,0,0|2,0,0]=4 861 B4R0.1 C(C(=O)O)I TS48817 [1,0,1,0,0,0|2,0,0]=4 862 B4R0.1 C(C(=O)O)N TS31897 [1,0,1,0,0,0|2,0,0]=4 863 B4R0.1 C(C(=O)O)N TS62535 [1,0,1,0,0,0|2,0,0]=4 864 B4R0.1 C(C(=O)O)O TS71635 [1,0,1,0,0,0|2,0,0]=4 865 B4R0.1 C(C(=O)O)S TS03656 [1,0,1,0,0,0|2,0,0]=4 866 B4R0.1 C(C(=O)[O-])Cl TS04648 [1,0,1,0,0,0|2,0,0]=4 867 B4R0.1 C(C(=O)[O-])F TS03691 [1,0,1,0,0,0|2,0,0]=4 868 B4R0.1 C(C(=O)[O-])F TS15406 [1,0,1,0,0,0|2,0,0]=4 869 B4R0.1 C(C(=O)[O-])F TS31484 [1,0,1,0,0,0|2,0,0]=4 870 B4R0.1 C(C(=O)[O-])I TS01955 [1,0,1,0,0,0|2,0,0]=4 871 B4R0.1 C(C(=O)[O-])I TS17396 [1,0,1,0,0,0|2,0,0]=4 872 B4R0.1 C(C(=O)[O-])N TS03744 [1,0,1,0,0,0|2,0,0]=4 873 B4R0.1 C(C(=O)[O-])N TS05962 [1,0,1,0,0,0|2,0,0]=4 874 B4R0.1 C(C(=O)[O-])N TS13250 [1,0,1,0,0,0|2,0,0]=4 875 B4R0.1 C(C(=O)[O-])N TS21558 [1,0,1,0,0,0|2,0,0]=4 876 B4R0.1 C(C(=O)[O-])N TS38376 [1,0,1,0,0,0|2,0,0]=4 877 B4R0.1 C(C(=O)[O-])N TS50709 [1,0,1,0,0,0|2,0,0]=4 878 B4R0.1 C(C(=O)[O-])N TS93263 [1,0,1,0,0,0|2,0,0]=4 879 B4R0.1 C(C(=O)[O-])N TS93300 [1,0,1,0,0,0|2,0,0]=4 880 B4R0.1 C(C(=O)[O-])O TS03750 [1,0,1,0,0,0|2,0,0]=4 881 B4R0.1 C(C(=O)[O-])S TS31805 [1,0,1,0,0,0|2,0,0]=4 882 B4R0.1 C(C(=O)[O-])S TS32044 [1,0,1,0,0,0|2,0,0]=4 883 B4R0.1 C(C(=O)[O-])S TS36493 [1,0,1,0,0,0|2,0,0]=4 884 B4R0.1 CC(=C)CBr TS65907 [1,0,1,0,0,0|2,0,0]=4 885 B4R0.1 CC(=C)CCl TS00138 [1,0,1,0,0,0|2,0,0]=4 886 B4R0.1 CC(=C)CN TS02169 [1,0,1,0,0,0|2,0,0]=4 887 B4R0.1 CC(=C)CN TS04121 [1,0,1,0,0,0|2,0,0]=4 888 B4R0.1 CC(=C)CO TS00103 [1,0,1,0,0,0|2,0,0]=4 889 B4R0.1 CC(=C)CS TS71814 [1,0,1,0,0,0|2,0,0]=4 890 B4R0.1 CC(=C)OC TS00091 [1,0,1,0,0,0|2,0,0]=4 891 B4R0.1 CC(=N)OC TS31813 [1,0,1,0,0,0|2,0,0]=4 892 B4R0.1 CC(=O)C#C TS00427 [1,0,1,0,0,0|0,0,2]=4 893 B4R0.1 CC(=O)C=C TS71414 [1,0,1,0,0,0|0,0,2]=4 894 B4R0.1 CC(=O)C=O TS71593 [1,0,1,0,0,0|1,0,1]=4 895 B4R0.1 CC(=O)CBr TS64992 [1,0,1,0,0,0|1,0,0]=3 896 B4R0.1 CC(=O)CCl TS71869 [1,0,1,0,0,0|1,0,0]=3 897 B4R0.1 CC(=O)CF TS71639 [1,0,1,0,0,0|1,0,0]=3 898 B4R0.1 CC(=O)CO TS39607 [1,0,1,0,0,0|1,0,0]=3 899 B4R0.1 CC(=O)NBr TS37149 [1,0,1,0,0,0|2,0,0]=4 900 B4R0.1 CC(=O)NC TS16313 [1,0,1,0,0,0|1,0,0]=3 901 B4R0.1 CC(=O)NN TS01339 [1,0,1,0,0,0|2,0,0]=4 902 B4R0.1 CC(=O)OC TS03390 [1,0,1,0,0,0|1,0,0]=3 903 B4R0.1 CC(=O)OO TS71636 [1,0,1,0,0,0|2,0,0]=4 904 B4R0.1 CC(=O)SC TS71852 [1,0,1,0,0,0|1,0,0]=3 905 B4R0.1 CC=C(C)Br TS36906 [1,0,1,0,0,0|1,0,1]=4 906 B4R0.1 CC=C(C)C TS03364 [1,0,1,0,0,0|1,0,1]=4 907 B4R0.1 CCC(=C)Br TS36908 [1,0,1,0,0,0|1,0,1]=4 908 B4R0.1 CCC(=C)C TS03363 [1,0,1,0,0,0|1,0,0]=3 909 B4R0.1 CCC(=C)Cl TS03633 [1,0,1,0,0,0|1,0,1]=4 910 B4R0.1 CCC(=N)N TS01647 [1,0,1,0,0,0|2,0,0]=4 911 B4R0.1 CCC(=O)Br TS06155 [1,0,1,0,0,0|1,0,0]=3 912 B4R0.1 CCC(=O)C TS71608 [1,0,1,0,0,0|0,0,0]=2 913 B4R0.1 CCC(=O)Cl TS71868 [1,0,1,0,0,0|1,0,0]=3 914 B4R0.1 CCC(=O)F TS71638 [1,0,1,0,0,0|1,0,0]=3 915 B4R0.1 CCC(=O)N TS59820 [1,0,1,0,0,0|1,0,0]=3 916 B4R0.1 CCC(=O)O TS03391 [1,0,1,0,0,0|1,0,0]=3 917 B4R0.1 CCC(=O)[O-] TS03709 [1,0,1,0,0,0|1,0,0]=3 918 B4R0.1 CCC(=O)[O-] TS04307 [1,0,1,0,0,0|1,0,0]=3 919 B4R0.1 CCC(=O)[O-] TS21191 [1,0,1,0,0,0|1,0,0]=3 920 B4R0.1 CCC(=O)[O-] TS28396 [1,0,1,0,0,0|1,0,0]=3 921 B4R0.1 CCC(=O)[O-] TS29272 [1,0,1,0,0,0|1,0,0]=3 922 B4R0.1 CCC(=O)[O-] TS38909 [1,0,1,0,0,0|1,0,0]=3 923 B4R0.1 CCC(=O)[O-] TS48904 [1,0,1,0,0,0|1,0,0]=3 924 B4R0.1 CCC(=O)[O-] TS53540 [1,0,1,0,0,0|1,0,0]=3 925 B4R0.1 CCC(=S)N TS03610 [1,0,1,0,0,0|1,1,0]=4 926 B4R0.1 CCC(=S)O TS71850 [1,0,1,0,0,0|1,0,1]=4 927 B4R0.1 CCC(C)Br TS39654 [1,0,1,0,0,0|1,0,1]=4 928 B4R0.1 CCC(C)Cl TS71870 [1,0,1,0,0,0|1,0,1]=4 929 B4R0.1 CCC(C)I TS93849 [1,0,1,0,0,0|1,0,1]=4 930 B4R0.1 CCC(C)N TS03382 [1,0,1,0,0,0|1,0,1]=4 931 B4R0.1 CCC(C)O TS03403 [1,0,1,0,0,0|0,0,2]=4 932 B4R0.1 CCC(C)S TS71856 [1,0,1,0,0,0|0,1,1]=4 933 B4R0.1 CCC(C)[Zn+] TS19473 [1,0,1,0,0,0|1,0,1]=4 934 B4R0.1 CCN(C)C TS03385 [1,0,1,0,0,0|2,0,0]=4 935 B4R0.1 CCS(=O)[O-] TS93504 [1,0,1,0,0,0|2,0,0]=4 936 B4R0.1 CC[C@@H](C)N TS04171 [1,0,1,0,0,0|1,0,1]=4 937 B4R0.1 CC[C@@H](C)O TS03406 [1,0,1,0,0,0|0,0,2]=4 938 B4R0.1 CC[C@H](C)O TS03405 [1,0,1,0,0,0|0,0,2]=4 939 B4R0.1 CC[N+](=O)[O-] TS56409 [1,0,1,0,0,0|2,0,0]=4 940 B4R0.1 CC[SiH](C)C TS71815 [1,0,1,0,0,0|1,1,0]=4 941 B4R0.1 CNC(=O)Cl TS71883 [1,0,1,0,0,0|2,0,0]=4 942 B4R0.1 CNC(=O)N TS03394 [1,0,1,0,0,0|2,0,0]=4 943 B4R0.1 COC(=O)Cl TS03684 [1,0,1,0,0,0|2,0,0]=4 944 B4R0.1 COC(=O)N TS71628 [1,0,1,0,0,0|2,0,0]=4 945 B4R0.1 COC(=O)[O-] TS36560 [1,0,1,0,0,0|2,0,0]=4 946 B4R0.1 CSC(=O)Cl TS31865 [1,0,1,0,0,0|2,0,0]=4 947 B4R0.2 C(C=O)C=O TS71592 [1,0,1,0,0,0|1,0,1]=4 948 B4R0.2 C(CBr)CBr TS46797 [1,0,1,0,0,0|2,0,0]=4 949 B4R0.2 C(CBr)CI TS27842 [1,0,1,0,0,0|2,0,0]=4 950 B4R0.2 C(CCl)C=O TS71867 [1,0,1,0,0,0|1,0,0]=3 951 B4R0.2 C(CCl)CBr TS46925 [1,0,1,0,0,0|2,0,0]=4 952 B4R0.2 C(CCl)CCl TS31994 [1,0,1,0,0,0|2,0,0]=4 953 B4R0.2 C(CF)CBr TS37464 [1,0,1,0,0,0|2,0,0]=4 954 B4R0.2 C(CF)CF TS71664 [1,0,1,0,0,0|2,0,0]=4 955 B4R0.2 C(CI)CI TS93960 [1,0,1,0,0,0|2,0,0]=4 956 B4R0.2 C(CN)CBr TS09494 [1,0,1,0,0,0|2,0,0]=4 957 B4R0.2 C(CN)CCl TS00183 [1,0,1,0,0,0|2,0,0]=4 958 B4R0.2 C(CN)CF TS04405 [1,0,1,0,0,0|2,0,0]=4 959 B4R0.2 C(CN)CN TS07879 [1,0,1,0,0,0|2,0,0]=4 960 B4R0.2 C(CN)CN TS34480 [1,0,1,0,0,0|2,0,0]=4 961 B4R0.2 C(CN)CN TS40489 [1,0,1,0,0,0|2,0,0]=4 962 B4R0.2 C(CN)CO TS04258 [1,0,1,0,0,0|1,0,1]=4 963 B4R0.2 C(CN)CO TS08858 [1,0,1,0,0,0|1,0,1]=4 964 B4R0.2 C(CO)CBr TS59604 [1,0,1,0,0,0|1,0,1]=4 965 B4R0.2 C(CO)CCl TS02021 [1,0,1,0,0,0|1,0,1]=4 966 B4R0.2 C(CO)CF TS00151 [1,0,1,0,0,0|1,0,1]=4 967 B4R0.2 C(CO)CI TS70633 [1,0,1,0,0,0|1,0,1]=4 968 B4R0.2 C(CO)CO TS00379 [1,0,1,0,0,0|1,0,1]=4 969 B4R0.2 C(CP)CP TS04129 [1,0,1,0,0,0|2,0,0]=4 970 B4R0.2 C(CS)CCl TS31868 [1,0,1,0,0,0|1,1,0]=4 971 B4R0.2 C(CS)CS TS04153 [1,0,1,0,0,0|1,1,0]=4 972 B4R0.2 C=CCCBr TS03033 [1,0,1,0,0,0|1,0,1]=4 973 B4R0.2 C=CCCCl TS03638 [1,0,1,0,0,0|1,0,1]=4 974 B4R0.2 C=CCCN TS01596 [1,0,1,0,0,0|1,0,1]=4 975 B4R0.2 C=CCCN TS04120 [1,0,1,0,0,0|1,0,1]=4 976 B4R0.2 C=CCCO TS71598 [1,0,1,0,0,0|1,0,1]=4 977 B4R0.2 CC=CC=O TS16977 [1,0,1,0,0,0|0,0,2]=4 978 B4R0.2 CC=CCCl TS03634 [1,0,1,0,0,0|1,0,1]=4 979 B4R0.2 CC=CCN TS01395 [1,0,1,0,0,0|1,0,1]=4 980 B4R0.2 CC=CCO TS71604 [1,0,1,0,0,0|1,0,1]=4 981 B4R0.2 CC=COC TS71611 [1,0,1,0,0,0|1,0,1]=4 982 B4R0.2 CCC#CC TS03009 [1,0,1,0,0,0|0,0,2]=4 983 B4R0.2 CCC=C=C TS70908 [1,0,1,0,0,0|0,0,2]=4 984 B4R0.2 CCC=CBr TS33033 [1,0,1,0,0,0|1,0,1]=4 985 B4R0.2 CCC=CC TS03361 [1,0,1,0,0,0|0,0,1]=3 986 B4R0.2 CCC=CCl TS03636 [1,0,1,0,0,0|1,0,1]=4 987 B4R0.2 CCC=CCl TS03637 [1,0,1,0,0,0|1,0,1]=4 988 B4R0.2 CCC=NS TS31707 [1,0,1,0,0,0|2,0,0]=4 989 B4R0.2 CCCC#C TS70989 [1,0,1,0,0,0|0,0,2]=4 990 B4R0.2 CCCC#N TS03176 [1,0,1,0,0,0|1,0,1]=4 991 B4R0.2 CCCC=O TS71609 [1,0,1,0,0,0|0,0,0]=2 992 B4R0.2 CCCCBr TS37077 [1,0,1,0,0,0|1,0,0]=3 993 B4R0.2 CCCCBr TS93069 [1,0,1,0,0,0|1,0,0]=3 994 B4R0.2 CCCCC TS71613 [1,0,1,0,0,0|0,0,1]=3 995 B4R0.2 CCCCCl TS39594 [1,0,1,0,0,0|1,0,0]=3 996 B4R0.2 CCCCF TS71643 [1,0,1,0,0,0|1,0,0]=3 997 B4R0.2 CCCCI TS48513 [1,0,1,0,0,0|1,0,0]=3 998 B4R0.2 CCCCN TS03383 [1,0,1,0,0,0|1,0,0]=3 999 B4R0.2 CCCCN TS04172 [1,0,1,0,0,0|1,0,0]=3 1000 B4R0.2 CCCCO TS03407 [1,0,1,0,0,0|0,0,1]=3 1001 B4R0.2 CCCCS TS71854 [1,0,1,0,0,0|0,1,0]=3 1002 B4R0.2 CCCC[O-] TS31364 [1,0,1,0,0,0|0,0,1]=3 1003 B4R0.2 CCCC[O-] TS64270 [1,0,1,0,0,0|0,0,1]=3 1004 B4R0.2 CCCC[O-] TS66591 [1,0,1,0,0,0|0,0,1]=3 1005 B4R0.2 CCCC[O-] TS67287 [1,0,1,0,0,0|0,0,1]=3 1006 B4R0.2 CCCC[O-] TS82799 [1,0,1,0,0,0|0,0,1]=3 1007 B4R0.2 CCCC[O-] TS83727 [1,0,1,0,0,0|0,0,1]=3 1008 B4R0.2 CCCC[S-] TS31943 [1,0,1,0,0,0|0,1,0]=3 1009 B4R0.2 CCCC[Si] TS71817 [1,0,1,0,0,0|0,1,0]=3 1010 B4R0.2 CCCC[Zn+] TS19474 [1,0,1,0,0,0|1,0,0]=3 1011 B4R0.2 CCCNC TS03381 [1,0,1,0,0,0|1,0,0]=3 1012 B4R0.2 CCCOC TS03404 [1,0,1,0,0,0|1,0,0]=3 1013 B4R0.2 CCCO[NH3+] TS04256 [1,0,1,0,0,0|2,0,0]=4 1014 B4R0.2 CCCSC TS71857 [1,0,1,0,0,0|1,0,0]=3 1015 B4R0.2 CCC[Mg]Br TS07380 [1,0,1,0,0,0|2,0,0]=4 1016 B4R0.2 CCC[Mg]Cl TS31623 [1,0,1,0,0,0|2,0,0]=4 1017 B4R0.2 CCC[Zn]Br TS50817 [1,0,1,0,0,0|2,0,0]=4 1018 B4R0.2 CCN=C=O TS01458 [1,0,1,0,0,0|1,0,1]=4 1019 B4R0.2 CCNC=O TS03379 [1,0,1,0,0,0|1,0,0]=3 1020 B4R0.2 CCNCC TS03384 [1,0,1,0,0,0|1,0,0]=3 1021 B4R0.2 CCNCC TS04169 [1,0,1,0,0,0|1,0,0]=3 1022 B4R0.2 CCNCC TS05835 [1,0,1,0,0,0|1,0,0]=3 1023 B4R0.2 CCNCC TS10368 [1,0,1,0,0,0|1,0,0]=3 1024 B4R0.2 CCNCC TS12959 [1,0,1,0,0,0|1,0,0]=3 1025 B4R0.2 CCOC=C TS71601 [1,0,1,0,0,0|1,0,1]=4 1026 B4R0.2 CCOC=O TS03393 [1,0,1,0,0,0|1,0,0]=3 1027 B4R0.2 CCOCC TS03401 [1,0,1,0,0,0|1,0,0]=3 1028 B4R0.2 CCOCC TS42371 [1,0,1,0,0,0|1,0,0]=3 1029 B4R0.2 CCOCC TS43884 [1,0,1,0,0,0|1,0,0]=3 1030 B4R0.2 CCOCC TS68115 [1,0,1,0,0,0|1,0,0]=3 1031 B4R0.2 CCOCC TS79120 [1,0,1,0,0,0|1,0,0]=3 1032 B4R0.2 CCOCCl TS39832 [1,0,1,0,0,0|2,0,0]=4 1033 B4R0.2 CCON=O TS71627 [1,0,1,0,0,0|2,0,0]=4 1034 B4R0.2 CCPCC TS71830 [1,0,1,0,0,0|1,0,0]=3 1035 B4R0.2 CCSC=C TS71813 [1,0,1,0,0,0|1,0,1]=4 1036 B4R0.2 CCSCC TS71853 [1,0,1,0,0,0|1,0,0]=3 1037 B4R0.2 CCSSC TS04155 [1,0,1,0,0,0|2,0,0]=4 1038 B4R0.2 CC[Al+]CC TS32445 [1,0,1,0,0,0|1,0,0]=3 1039 B4R0.2 CC[Al+]CC TS36486 [1,0,1,0,0,0|1,0,0]=3 1040 B4R0.2 CC[Cd]CC TS45221 [1,0,1,0,0,0|1,0,0]=3 1041 B4R0.2 CC[Ga+]CC TS42641 [1,0,1,0,0,0|1,0,0]=3 1042 B4R0.2 CC[GeH2]CC TS36741 [1,0,1,0,0,0|0,1,0]=3 1043 B4R0.2 CC[Hg]CC TS68206 [1,0,1,0,0,0|1,0,0]=3 1044 B4R0.2 CC[Mg]CC TS71690 [1,0,1,0,0,0|1,0,0]=3 1045 B4R0.2 CC[N-]CC TS71656 [1,0,1,0,0,0|1,0,0]=3 1046 B4R0.2 CC[Se]CC TS37078 [1,0,1,0,0,0|1,0,0]=3 1047 B4R0.2 CC[SiH2]CC TS71816 [1,0,1,0,0,0|0,1,0]=3 1048 B4R0.2 CC[Te]CC TS15549 [1,0,1,0,0,0|1,0,0]=3 1049 B4R0.2 CC[Zn]CC TS04983 [1,0,1,0,0,0|1,0,0]=3 1050 B4R0.2 CNCCN TS03408 [1,0,1,0,0,0|2,0,0]=4 1051 B4R0.2 CNCCO TS00099 [1,0,1,0,0,0|1,0,1]=4 1052 B4R0.2 COCC=C TS94286 [1,0,1,0,0,0|1,0,1]=4 1053 B4R0.2 COCC=O TS03388 [1,0,1,0,0,0|1,0,0]=3 1054 B4R0.2 COCCBr TS65036 [1,0,1,0,0,0|2,0,0]=4 1055 B4R0.2 COCCBr TS93982 [1,0,1,0,0,0|2,0,0]=4 1056 B4R0.2 COCCCl TS03687 [1,0,1,0,0,0|2,0,0]=4 1057 B4R0.2 COCCN TS71632 [1,0,1,0,0,0|2,0,0]=4 1058 B4R0.2 COCCO TS71642 [1,0,1,0,0,0|1,0,1]=4 1059 B4R0.2 COCC[O-] TS03754 [1,0,1,0,0,0|1,0,1]=4 1060 B4R0.2 COCC[O-] TS44727 [1,0,1,0,0,0|1,0,1]=4 1061 B4R0.2 COCC[O-] TS45853 [1,0,1,0,0,0|1,0,1]=4 1062 B4R0.2 COCOC TS08721 [1,0,1,0,0,0|2,0,0]=4 1063 B4R0.2 CSCC=C TS71811 [1,0,1,0,0,0|1,0,1]=4 1064 B4R0.2 CSCCCl TS31867 [1,0,1,0,0,0|2,0,0]=4 1065 B4R0.2 CSCCCl TS93571 [1,0,1,0,0,0|2,0,0]=4 1066 B4R0.2 CSCCN TS03646 [1,0,1,0,0,0|2,0,0]=4 1067 B4R0.2 CSCCO TS71862 [1,0,1,0,0,0|1,0,1]=4 1068 B4R0.2 CSCSC TS04154 [1,0,1,0,0,0|2,0,0]=4 1069 B4R0.2 [2H]OCCC TS65595 [1,0,1,0,0,0|2,0,0]=4 1070 B4R0.2 [Li]CCCC TS39912 [1,0,1,0,0,0|1,0,0]=3 1071 B6R0.1 C(C(=O)NCO)Cl TS64943 [0,1,1,0,0,0|2,0,0]=4 1072 B6R0.1 C(C(=O)OCO)N TS05233 [0,1,1,0,0,0|2,0,0]=4 1073 B6R0.1 C(CN)C(=O)CN TS13627 [0,1,1,0,0,0|1,0,0]=3 1074 B6R0.1 C(CO)C(=O)CN TS37313 [0,1,1,0,0,0|1,0,0]=3 1075 B6R0.1 CC#CC(=O)OC TS03761 [0,1,1,0,0,0|0,0,2]=4 1076 B6R0.1 CC(=CCCl)C=O TS04765 [0,1,1,0,0,0|1,0,1]=4 1077 B6R0.1 CC=C(C)CCO TS03864 [0,1,1,0,0,0|2,0,0]=4 1078 B6R0.1 CC=CC(=O)OC TS56315 [0,1,1,0,0,0|0,0,2]=4 1079 B6R0.1 CCC(=O)C=CC TS31436 [0,1,1,0,0,0|0,0,2]=4 1080 B6R0.1 CCC(=O)CC#N TS31393 [0,1,1,0,0,0|1,0,1]=4 1081 B6R0.1 CCC(=O)CSC TS32357 [0,1,1,0,0,0|1,0,0]=3 1082 B6R0.1 CCC(=O)NCC TS03904 [0,1,1,0,0,0|1,0,0]=3 1083 B6R0.1 CCC(=O)OCC TS03938 [0,1,1,0,0,0|1,0,0]=3 1084 B6R0.1 CCC(=O)SCC TS32362 [0,1,1,0,0,0|1,0,0]=3 1085 B6R0.1 CCC=C(C)C=O TS03779 [0,1,1,0,0,0|0,0,1]=3 1086 B6R0.1 CCCC(=C)C=O TS31425 [0,1,1,0,0,0|0,0,1]=3 1087 B6R0.1 CCCC(=C)CC TS03794 [0,1,1,0,0,0|1,0,0]=3 1088 B6R0.1 CCCC(=CC)C TS31455 [0,1,1,0,0,0|1,0,0]=3 1089 B6R0.1 CCCC(=O)CC TS31522 [0,1,1,0,0,0|0,0,0]=2 1090 B6R0.1 CCCC(=O)NN TS31598 [0,1,1,0,0,0|1,0,0]=3 1091 B6R0.1 CCCC(=O)OC TS03955 [0,1,1,0,0,0|0,0,0]=2 1092 B6R0.1 CCCC(=S)OC TS32358 [0,1,1,0,0,0|0,1,0]=3 1093 B6R0.1 CCCC(C)C#C TS31387 [0,1,1,0,0,0|1,0,1]=4 1094 B6R0.1 CCCC(C)C=C TS03798 [0,1,1,0,0,0|1,0,1]=4 1095 B6R0.1 CCCC(C)C=O TS01565 [0,1,1,0,0,0|0,0,1]=3 1096 B6R0.1 CCCC(C)CBr TS42857 [0,1,1,0,0,0|1,0,1]=4 1097 B6R0.1 CCCC(C)CC TS03886 [0,1,1,0,0,0|1,0,1]=4 1098 B6R0.1 CCCC(C)CO TS39282 [0,1,1,0,0,0|0,0,2]=4 1099 B6R0.1 CCCC(C)NC TS03920 [0,1,1,0,0,0|1,0,1]=4 1100 B6R0.1 CCCC(CBr)Br TS52925 [0,1,1,0,0,0|1,0,1]=4 1101 B6R0.1 CCCC(CC)Br TS42856 [0,1,1,0,0,0|1,0,1]=4 1102 B6R0.1 CCCC(CC)Cl TS04841 [0,1,1,0,0,0|1,0,1]=4 1103 B6R0.1 CCCC(CC)I TS44109 [0,1,1,0,0,0|1,0,1]=4 1104 B6R0.1 CCCC(CC)N TS31564 [0,1,1,0,0,0|1,0,1]=4 1105 B6R0.1 CCCC(CC)O TS31611 [0,1,1,0,0,0|0,0,2]=4 1106 B6R0.1 CCCC(CC)S TS40939 [0,1,1,0,0,0|0,1,1]=4 1107 B6R0.1 CCCC(CC)[Zn+] TS24971 [0,1,1,0,0,0|1,0,1]=4 1108 B6R0.1 CCCC(CCl)Cl TS06553 [0,1,1,0,0,0|1,0,1]=4 1109 B6R0.1 CCCC(CO)O TS04026 [0,1,1,0,0,0|0,0,2]=4 1110 B6R0.1 CCCN(C)N=O TS31599 [0,1,1,0,0,0|1,0,0]=3 1111 B6R0.1 CCC[C@@H](CO)N TS04002 [0,1,1,0,0,0|1,0,1]=4 1112 B6R0.1 CCC[C@@H](CO)O TS04042 [0,1,1,0,0,0|0,0,2]=4 1113 B6R0.1 CCC[C@H](CO)N TS04000 [0,1,1,0,0,0|1,0,1]=4 1114 B6R0.1 CCNC(=O)C=C TS03826 [0,1,1,0,0,0|1,0,1]=4 1115 B6R0.1 CCNC(=O)CCl TS04876 [0,1,1,0,0,0|1,0,0]=3 1116 B6R0.1 CCNC(=O)OC TS31636 [0,1,1,0,0,0|1,0,0]=3 1117 B6R0.1 CCOC(=O)C#C TS03762 [0,1,1,0,0,0|1,0,1]=4 1118 B6R0.1 CCOC(=O)C#N TS31469 [0,1,1,0,0,0|1,0,1]=4 1119 B6R0.1 CCOC(=O)C=C TS33216 [0,1,1,0,0,0|1,0,1]=4 1120 B6R0.1 CCOC(=O)C=O TS56148 [0,1,1,0,0,0|1,0,1]=4 1121 B6R0.1 CCOC(=O)CBr TS56141 [0,1,1,0,0,0|1,0,0]=3 1122 B6R0.1 CCOC(=O)CCl TS39825 [0,1,1,0,0,0|1,0,0]=3 1123 B6R0.1 CCOC(=O)CF TS65215 [0,1,1,0,0,0|1,0,0]=3 1124 B6R0.1 CCOC(=O)CN TS31646 [0,1,1,0,0,0|1,0,0]=3 1125 B6R0.1 CCOC(=O)CN TS33221 [0,1,1,0,0,0|1,0,0]=3 1126 B6R0.1 CCOC(=O)CO TS56147 [0,1,1,0,0,0|1,0,0]=3 1127 B6R0.1 CCOC(=O)CS TS01466 [0,1,1,0,0,0|1,0,0]=3 1128 B6R0.1 CCOC(=O)NC TS31637 [0,1,1,0,0,0|1,0,0]=3 1129 B6R0.1 CCOC(=O)NN TS59780 [0,1,1,0,0,0|2,0,0]=4 1130 B6R0.1 CCOC(=O)NO TS04067 [0,1,1,0,0,0|2,0,0]=4 1131 B6R0.1 CCOC(=O)OC TS31662 [0,1,1,0,0,0|1,0,0]=3 1132 B6R0.1 CNC(=O)CC#N TS55304 [0,1,1,0,0,0|1,0,1]=4 1133 B6R0.1 CNCC(=O)OC TS01682 [0,1,1,0,0,0|1,0,0]=3 1134 B6R0.1 COC(=O)CC#N TS31466 [0,1,1,0,0,0|1,0,1]=4 1135 B6R0.1 COC(=O)CC=C TS31502 [0,1,1,0,0,0|0,0,2]=4 1136 B6R0.1 COC(=O)CCBr TS56269 [0,1,1,0,0,0|1,0,0]=3 1137 B6R0.1 COC(=O)CCCl TS04939 [0,1,1,0,0,0|1,0,0]=3 1138 B6R0.1 COC(=O)CCN TS08577 [0,1,1,0,0,0|1,0,0]=3 1139 B6R0.1 COC(=O)CCO TS65233 [0,1,1,0,0,0|1,0,0]=3 1140 B6R0.1 COC(=O)CCS TS04824 [0,1,1,0,0,0|1,0,0]=3 1141 B6R0.1 COC(=O)CSC TS39398 [0,1,1,0,0,0|1,0,0]=3 1142 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [0,1,1,0,0,0|1,0,1]=4 1143 B6R0.1 COCC(=O)OC TS39892 [0,1,1,0,0,0|1,0,0]=3 1144 B6R0.2 CC(=C)OC(=O)C TS03841 [0,1,1,0,0,0|1,0,1]=4 1145 B6R0.2 CC(=CC(=O)C)C TS31432 [0,1,1,0,0,0|0,0,2]=4 1146 B6R0.2 CC(=CC(=O)C)N TS03815 [0,1,1,0,0,0|0,0,2]=4 1147 B6R0.2 CC(=CC(=O)C)[O-] TS06421 [0,1,1,0,0,0|0,0,2]=4 1148 B6R0.2 CC(=CC(=O)C)[O-] TS31723 [0,1,1,0,0,0|0,0,2]=4 1149 B6R0.2 CC(=O)CC(=O)C TS03846 [0,1,1,0,0,0|0,0,1]=3 1150 B6R0.2 CC(=O)CC(=O)N TS31549 [0,1,1,0,0,0|1,0,1]=4 1151 B6R0.2 CC(=O)CC(=O)O TS31585 [0,1,1,0,0,0|1,0,1]=4 1152 B6R0.2 CC(=O)CC(=O)[O-] TS04127 [0,1,1,0,0,0|1,0,1]=4 1153 B6R0.2 CC(=O)CN(C)C TS31555 [0,1,1,0,0,0|1,0,0]=3 1154 B6R0.2 CC(=O)NC(=O)C TS31542 [0,1,1,0,0,0|1,0,1]=4 1155 B6R0.2 CC(=O)OC(=O)C TS31583 [0,1,1,0,0,0|1,0,1]=4 1156 B6R0.2 CC(=O)SC(=O)C TS04729 [0,1,1,0,0,0|1,0,1]=4 1157 B6R0.2 CC(=SC(=O)C)O TS05893 [0,1,1,0,0,0|1,0,1]=4 1158 B6R0.2 CC(C)CC(=C)C TS31451 [0,1,1,0,0,0|1,0,0]=3 1159 B6R0.2 CC(C)CC(=O)C TS31526 [0,1,1,0,0,0|0,0,0]=2 1160 B6R0.2 CC(C)CC(=O)Cl TS32446 [0,1,1,0,0,0|1,0,0]=3 1161 B6R0.2 CC(C)CC(=O)N TS31557 [0,1,1,0,0,0|1,0,0]=3 1162 B6R0.2 CC(C)CC(=O)O TS03936 [0,1,1,0,0,0|1,0,0]=3 1163 B6R0.2 CC(C)CC(=O)[O-] TS32589 [0,1,1,0,0,0|1,0,0]=3 1164 B6R0.2 CC(C)CC(C)Br TS42854 [0,1,1,0,0,0|1,0,1]=4 1165 B6R0.2 CC(C)CC(C)C TS03884 [0,1,1,0,0,0|1,0,1]=4 1166 B6R0.2 CC(C)CC(C)Cl TS04844 [0,1,1,0,0,0|1,0,1]=4 1167 B6R0.2 CC(C)CC(C)N TS31566 [0,1,1,0,0,0|1,0,1]=4 1168 B6R0.2 CC(C)CC(C)N TS94386 [0,1,1,0,0,0|1,0,1]=4 1169 B6R0.2 CC(C)CC(C)O TS31610 [0,1,1,0,0,0|0,0,2]=4 1170 B6R0.2 CC(C)CN(C)C TS03921 [0,1,1,0,0,0|2,0,0]=4 1171 B6R0.2 CC(C)NC(=O)N TS31602 [0,1,1,0,0,0|2,0,0]=4 1172 B6R0.2 CC(C)OC(=O)C TS01509 [0,1,1,0,0,0|1,0,0]=3 1173 B6R0.2 CC(C)OC(=O)Cl TS59649 [0,1,1,0,0,0|2,0,0]=4 1174 B6R0.2 CC(C)OC(=O)N TS03993 [0,1,1,0,0,0|2,0,0]=4 1175 B6R0.2 CC(C=C(C)C)O TS03862 [0,1,1,0,0,0|1,0,1]=4 1176 B6R0.2 CC(CC(=C)C)O TS31505 [0,1,1,0,0,0|1,0,0]=3 1177 B6R0.2 CC(CC(=O)O)Cl TS04943 [0,1,1,0,0,0|1,0,0]=3 1178 B6R0.2 CC(CC(=O)O)O TS31666 [0,1,1,0,0,0|1,0,0]=3 1179 B6R0.2 CC(CC(=O)[O-])O TS94900 [0,1,1,0,0,0|1,0,0]=3 1180 B6R0.2 CC(CC(C)Cl)Cl TS06556 [0,1,1,0,0,0|1,0,1]=4 1181 B6R0.2 CC(CC(C)O)O TS04029 [0,1,1,0,0,0|0,0,2]=4 1182 B6R0.2 CC(CN(C)C)Cl TS41840 [0,1,1,0,0,0|2,0,0]=4 1183 B6R0.2 CC(CN(C)C)O TS04008 [0,1,1,0,0,0|2,0,0]=4 1184 B6R0.2 CC(OC(=O)Cl)Cl TS46935 [0,1,1,0,0,0|2,0,0]=4 1185 B6R0.2 CN(C)CC(=O)O TS08905 [0,1,1,0,0,0|2,0,0]=4 1186 B6R0.2 CN(C)CC(=O)O TS37315 [0,1,1,0,0,0|2,0,0]=4 1187 B6R0.2 CN(C)CC(=O)[O-] TS36048 [0,1,1,0,0,0|2,0,0]=4 1188 B6R0.2 CN(C)CC(=O)[O-] TS37510 [0,1,1,0,0,0|2,0,0]=4 1189 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [0,1,1,0,0,0|1,0,0]=3 1190 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [0,1,1,0,0,0|1,0,0]=3 1191 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [0,1,1,0,0,0|1,0,0]=3 1192 B6R0.2 C[C@@H](CC(=O)[O-])O TS05129 [0,1,1,0,0,0|1,0,0]=3 1193 B6R0.2 C[C@@H](CN(C)C)O TS04004 [0,1,1,0,0,0|2,0,0]=4 1194 B6R0.2 C[C@@H](C[C@H](C)O)O TS04035 [0,1,1,0,0,0|0,0,2]=4 1195 B6R0.2 C[C@H](CC(=O)O)N TS00214 [0,1,1,0,0,0|1,0,0]=3 1196 B6R0.2 C[C@H](CC(=O)[O-])O TS05130 [0,1,1,0,0,0|1,0,0]=3 1197 B6R0.2 C[C@H](C[C@@H](C)O)O TS04043 [0,1,1,0,0,0|0,0,2]=4 1198 B6R0.3 C(C(C(=O)Cl)Br)Br TS62878 [0,1,1,0,0,0|2,0,0]=4 1199 B6R0.3 C(C(C(=O)Cl)Cl)Cl TS11458 [0,1,1,0,0,0|2,0,0]=4 1200 B6R0.3 C(C(C(=O)N)Br)Br TS24999 [0,1,1,0,0,0|2,0,0]=4 1201 B6R0.3 C(C(C(=O)N)Cl)Cl TS06630 [0,1,1,0,0,0|2,0,0]=4 1202 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [0,1,1,0,0,0|2,0,0]=4 1203 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [0,1,1,0,0,0|2,0,0]=4 1204 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [0,1,1,0,0,0|2,0,0]=4 1205 B6R0.3 C(C(C(=O)O)N)F TS31750 [0,1,1,0,0,0|2,0,0]=4 1206 B6R0.3 C(C(C(=O)O)N)N TS15412 [0,1,1,0,0,0|2,0,0]=4 1207 B6R0.3 C(C(C(=O)O)N)N TS55876 [0,1,1,0,0,0|2,0,0]=4 1208 B6R0.3 C(C(C(=O)O)N)O TS04070 [0,1,1,0,0,0|2,0,0]=4 1209 B6R0.3 C(C(C(=O)O)N)O TS93662 [0,1,1,0,0,0|2,0,0]=4 1210 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [0,1,1,0,0,0|2,0,0]=4 1211 B6R0.3 C(C(C(=O)O)O)N TS55880 [0,1,1,0,0,0|2,0,0]=4 1212 B6R0.3 C(C(C(=O)O)O)O TS31726 [0,1,1,0,0,0|2,0,0]=4 1213 B6R0.3 C([C@@H](C(=O)N)N)O TS37447 [0,1,1,0,0,0|2,0,0]=4 1214 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [0,1,1,0,0,0|2,0,0]=4 1215 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [0,1,1,0,0,0|2,0,0]=4 1216 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [0,1,1,0,0,0|2,0,0]=4 1217 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [0,1,1,0,0,0|2,0,0]=4 1218 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [0,1,1,0,0,0|2,0,0]=4 1219 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [0,1,1,0,0,0|2,0,0]=4 1220 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [0,1,1,0,0,0|2,0,0]=4 1221 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [0,1,1,0,0,0|2,0,0]=4 1222 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [0,1,1,0,0,0|2,0,0]=4 1223 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [0,1,1,0,0,0|2,0,0]=4 1224 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [0,1,1,0,0,0|2,0,0]=4 1225 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [0,1,1,0,0,0|2,0,0]=4 1226 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [0,1,1,0,0,0|2,0,0]=4 1227 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [0,1,1,0,0,0|2,0,0]=4 1228 B6R0.3 CC(=O)C(=O)OC TS31579 [0,1,1,0,0,0|1,0,1]=4 1229 B6R0.3 CC(=O)N(C)OC TS56410 [0,1,1,0,0,0|2,0,0]=4 1230 B6R0.3 CC(C(=O)C)SC TS32356 [0,1,1,0,0,0|1,0,0]=3 1231 B6R0.3 CC(C(=O)O)NC TS31640 [0,1,1,0,0,0|2,0,0]=4 1232 B6R0.3 CC(CN)C(=O)O TS04859 [0,1,1,0,0,0|2,0,0]=4 1233 B6R0.3 CC(CN)C(=O)O TS31641 [0,1,1,0,0,0|2,0,0]=4 1234 B6R0.3 CC(CO)C(=O)C TS03953 [0,1,1,0,0,0|1,0,0]=3 1235 B6R0.3 CC(CS)C(=O)O TS04823 [0,1,1,0,0,0|2,0,0]=4 1236 B6R0.3 CC=C(C)C(=O)C TS31447 [0,1,1,0,0,0|0,0,2]=4 1237 B6R0.3 CCC(=O)C(=O)C TS03844 [0,1,1,0,0,0|0,0,1]=3 1238 B6R0.3 CCC(=O)C(=O)O TS31578 [0,1,1,0,0,0|1,0,1]=4 1239 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [0,1,1,0,0,0|1,0,1]=4 1240 B6R0.3 CCC(C(=C)C)O TS31517 [0,1,1,0,0,0|1,0,0]=3 1241 B6R0.3 CCC(C(=O)Br)Br TS52915 [0,1,1,0,0,0|1,0,0]=3 1242 B6R0.3 CCC(C(=O)C)S TS32355 [0,1,1,0,0,0|0,0,0]=2 1243 B6R0.3 CCC(C(=O)Cl)Br TS48787 [0,1,1,0,0,0|1,0,0]=3 1244 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [0,1,1,0,0,0|1,0,0]=3 1245 B6R0.3 CCC(C(=O)N)Cl TS04875 [0,1,1,0,0,0|1,0,0]=3 1246 B6R0.3 CCC(C(=O)N)N TS93870 [0,1,1,0,0,0|1,0,0]=3 1247 B6R0.3 CCC(C(=O)N)N TS94086 [0,1,1,0,0,0|1,0,0]=3 1248 B6R0.3 CCC(C(=O)O)Br TS12329 [0,1,1,0,0,0|1,0,0]=3 1249 B6R0.3 CCC(C(=O)O)Cl TS04940 [0,1,1,0,0,0|1,0,0]=3 1250 B6R0.3 CCC(C(=O)O)N TS45781 [0,1,1,0,0,0|1,0,0]=3 1251 B6R0.3 CCC(C(=O)O)N TS47470 [0,1,1,0,0,0|1,0,0]=3 1252 B6R0.3 CCC(C(=O)O)O TS31670 [0,1,1,0,0,0|1,0,0]=3 1253 B6R0.3 CCC(C(=O)[O-])O TS05131 [0,1,1,0,0,0|1,0,0]=3 1254 B6R0.3 CCC(C(C)Br)Br TS52927 [0,1,1,0,0,0|1,0,1]=4 1255 B6R0.3 CCC(C(C)C)O TS03969 [0,1,1,0,0,0|1,0,1]=4 1256 B6R0.3 CCC(C(C)Cl)Cl TS06555 [0,1,1,0,0,0|1,0,1]=4 1257 B6R0.3 CCC(C)C(=O)C TS31518 [0,1,1,0,0,0|0,0,0]=2 1258 B6R0.3 CCC(C)C(=O)Cl TS04836 [0,1,1,0,0,0|1,0,0]=3 1259 B6R0.3 CCC(C)C(=O)O TS03945 [0,1,1,0,0,0|1,0,0]=3 1260 B6R0.3 CCC(C)C(C)C TS03882 [0,1,1,0,0,0|1,0,1]=4 1261 B6R0.3 CCC(C)C(C)O TS03961 [0,1,1,0,0,0|0,0,2]=4 1262 B6R0.3 CCC(C)N(C)C TS03924 [0,1,1,0,0,0|2,0,0]=4 1263 B6R0.3 CCC([N+](=O)[O-])Cl TS04986 [0,1,1,0,0,0|2,0,0]=4 1264 B6R0.3 CCN(C)C(=O)Cl TS56394 [0,1,1,0,0,0|2,0,0]=4 1265 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [0,1,1,0,0,0|1,0,0]=3 1266 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [0,1,1,0,0,0|1,0,0]=3 1267 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [0,1,1,0,0,0|1,0,0]=3 1268 B6R0.3 CC[C@H](C(=O)N)N TS93011 [0,1,1,0,0,0|1,0,0]=3 1269 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [0,1,1,0,0,0|1,0,0]=3 1270 B6R0.3 CC[C@H](C(=O)O)N TS64880 [0,1,1,0,0,0|1,0,0]=3 1271 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [0,1,1,0,0,0|2,0,0]=4 1272 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [0,1,1,0,0,0|2,0,0]=4 1273 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [0,1,1,0,0,0|2,0,0]=4 1274 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [0,1,1,0,0,0|2,0,0]=4 1275 B6R0.3 C[C@H](C(=O)N)OC TS31644 [0,1,1,0,0,0|2,0,0]=4 1276 B6R0.3 C[C@H](CCl)C(=O)Cl TS06547 [0,1,1,0,0,0|2,0,0]=4 1277 B6R0.3 C[C@H](CO)C(=O)O TS31672 [0,1,1,0,0,0|2,0,0]=4 1278 B6R0.4 C#CCCC(=O)O TS03769 [0,1,1,0,0,0|1,0,1]=4 1279 B6R0.4 C(CBr)OC(=O)Cl TS50601 [0,1,1,0,0,0|2,0,0]=4 1280 B6R0.4 C(CC(=O)Cl)CBr TS94813 [0,1,1,0,0,0|1,0,0]=3 1281 B6R0.4 C(CC(=O)Cl)CCl TS33157 [0,1,1,0,0,0|1,0,0]=3 1282 B6R0.4 C(CC(=O)N)CN TS37256 [0,1,1,0,0,0|1,0,0]=3 1283 B6R0.4 C(CC(=O)O)C#N TS02729 [0,1,1,0,0,0|1,0,1]=4 1284 B6R0.4 C(CC(=O)O)C=O TS31586 [0,1,1,0,0,0|1,0,1]=4 1285 B6R0.4 C(CC(=O)O)CBr TS39744 [0,1,1,0,0,0|1,0,0]=3 1286 B6R0.4 C(CC(=O)O)CI TS44433 [0,1,1,0,0,0|1,0,0]=3 1287 B6R0.4 C(CC(=O)O)CN TS31643 [0,1,1,0,0,0|1,0,0]=3 1288 B6R0.4 C(CC(=O)[O-])CO TS01692 [0,1,1,0,0,0|1,0,0]=3 1289 B6R0.4 C(CCl)NC(=O)N TS04945 [0,1,1,0,0,0|2,0,0]=4 1290 B6R0.4 C(CCl)OC(=O)Cl TS06815 [0,1,1,0,0,0|2,0,0]=4 1291 B6R0.4 C(CCl)OC(=O)N TS04987 [0,1,1,0,0,0|2,0,0]=4 1292 B6R0.4 C(CO)NC(=O)N TS04021 [0,1,1,0,0,0|2,0,0]=4 1293 B6R0.4 C(C[N+](=O)[O-])CO TS04073 [0,1,1,0,0,0|2,0,0]=4 1294 B6R0.4 C=CCCC(=O)Cl TS71274 [0,1,1,0,0,0|1,0,1]=4 1295 B6R0.4 C=CCCC(=O)O TS31497 [0,1,1,0,0,0|1,0,1]=4 1296 B6R0.4 CC(=C)CCC=C TS03725 [0,1,1,0,0,0|1,0,1]=4 1297 B6R0.4 CC(=C)CCCO TS31523 [0,1,1,0,0,0|1,0,0]=3 1298 B6R0.4 CC(=CCCO)C TS03867 [0,1,1,0,0,0|1,0,1]=4 1299 B6R0.4 CC(=O)C=COC TS03850 [0,1,1,0,0,0|0,0,2]=4 1300 B6R0.4 CC(=O)CCC=C TS31440 [0,1,1,0,0,0|0,0,1]=3 1301 B6R0.4 CC(=O)CCCCl TS03260 [0,1,1,0,0,0|0,0,0]=2 1302 B6R0.4 CC(=O)CCCO TS39779 [0,1,1,0,0,0|0,0,0]=2 1303 B6R0.4 CC(=O)CCSC TS32359 [0,1,1,0,0,0|0,0,0]=2 1304 B6R0.4 CC(=O)NCCN TS31596 [0,1,1,0,0,0|1,0,0]=3 1305 B6R0.4 CC(=O)NCCO TS03989 [0,1,1,0,0,0|1,0,0]=3 1306 B6R0.4 CC(=O)NCCS TS04795 [0,1,1,0,0,0|1,0,0]=3 1307 B6R0.4 CC(=O)OCC#C TS03765 [0,1,1,0,0,0|0,0,2]=4 1308 B6R0.4 CC(=O)OCC=C TS03845 [0,1,1,0,0,0|0,0,2]=4 1309 B6R0.4 CC(=O)OCC=O TS31580 [0,1,1,0,0,0|1,0,1]=4 1310 B6R0.4 CC(=O)OCCBr TS55164 [0,1,1,0,0,0|1,0,0]=3 1311 B6R0.4 CC(=O)OCCCl TS04941 [0,1,1,0,0,0|1,0,0]=3 1312 B6R0.4 CC(=O)OCCO TS31665 [0,1,1,0,0,0|1,0,0]=3 1313 B6R0.4 CC(C)CCCBr TS42858 [0,1,1,0,0,0|1,0,1]=4 1314 B6R0.4 CC(C)CCCO TS03963 [0,1,1,0,0,0|1,0,1]=4 1315 B6R0.4 CC(C)CCNC TS03922 [0,1,1,0,0,0|1,0,1]=4 1316 B6R0.4 CC(CCCBr)Br TS52922 [0,1,1,0,0,0|1,0,1]=4 1317 B6R0.4 CC(CCCO)O TS04032 [0,1,1,0,0,0|0,0,2]=4 1318 B6R0.4 CCC#CC(=C)C TS03675 [0,1,1,0,0,0|1,0,1]=4 1319 B6R0.4 CCC#CC(=O)C TS31369 [0,1,1,0,0,0|0,0,1]=3 1320 B6R0.4 CCC#CC(=O)O TS03759 [0,1,1,0,0,0|1,0,1]=4 1321 B6R0.4 CCC=CC(=O)C TS31424 [0,1,1,0,0,0|0,0,1]=3 1322 B6R0.4 CCC=CC(=O)O TS03448 [0,1,1,0,0,0|1,0,1]=4 1323 B6R0.4 CCC=CC(=O)O TS31503 [0,1,1,0,0,0|1,0,1]=4 1324 B6R0.4 CCCCC(=C)C TS31452 [0,1,1,0,0,0|1,0,0]=3 1325 B6R0.4 CCCCC(=O)Br TS42846 [0,1,1,0,0,0|1,0,0]=3 1326 B6R0.4 CCCCC(=O)C TS31529 [0,1,1,0,0,0|0,0,0]=2 1327 B6R0.4 CCCCC(=O)Cl TS32451 [0,1,1,0,0,0|1,0,0]=3 1328 B6R0.4 CCCCC(=O)N TS31554 [0,1,1,0,0,0|1,0,0]=3 1329 B6R0.4 CCCCC(=O)O TS03958 [0,1,1,0,0,0|1,0,0]=3 1330 B6R0.4 CCCCC(=O)[O-] TS04789 [0,1,1,0,0,0|1,0,0]=3 1331 B6R0.4 CCCCC(=O)[O-] TS30457 [0,1,1,0,0,0|1,0,0]=3 1332 B6R0.4 CCCCC(C)Br TS42855 [0,1,1,0,0,0|1,0,1]=4 1333 B6R0.4 CCCCC(C)C TS03881 [0,1,1,0,0,0|1,0,1]=4 1334 B6R0.4 CCCCC(C)Cl TS04843 [0,1,1,0,0,0|1,0,1]=4 1335 B6R0.4 CCCCC(C)I TS44108 [0,1,1,0,0,0|1,0,1]=4 1336 B6R0.4 CCCCC(C)N TS31565 [0,1,1,0,0,0|1,0,1]=4 1337 B6R0.4 CCCCC(C)O TS31617 [0,1,1,0,0,0|0,0,2]=4 1338 B6R0.4 CCCCN(C)C TS03927 [0,1,1,0,0,0|2,0,0]=4 1339 B6R0.4 CCCC[C@@H](C)N TS03923 [0,1,1,0,0,0|1,0,1]=4 1340 B6R0.4 CCCC[C@@H](C)O TS03965 [0,1,1,0,0,0|0,0,2]=4 1341 B6R0.4 CCCC[C@H](C)N TS03919 [0,1,1,0,0,0|1,0,1]=4 1342 B6R0.4 CCCC[C@H](C)O TS31613 [0,1,1,0,0,0|0,0,2]=4 1343 B6R0.4 CCCC[N+](=O)[O-] TS31647 [0,1,1,0,0,0|2,0,0]=4 1344 B6R0.4 CCCC[Si](C)C TS04645 [0,1,1,0,0,0|1,1,0]=4 1345 B6R0.4 CCCC[Sn](=O)O TS43570 [0,1,1,0,0,0|2,0,0]=4 1346 B6R0.4 CCCNC(=O)N TS31594 [0,1,1,0,0,0|1,0,0]=3 1347 B6R0.4 CCCNC(=O)[O-] TS31634 [0,1,1,0,0,0|1,0,0]=3 1348 B6R0.4 CCCNC(C)C TS03926 [0,1,1,0,0,0|1,0,1]=4 1349 B6R0.4 CCCOC(=O)C TS03949 [0,1,1,0,0,0|0,0,0]=2 1350 B6R0.4 CCCOC(=O)Cl TS55808 [0,1,1,0,0,0|1,0,0]=3 1351 B6R0.4 CCCON(=O)=O TS04066 [0,1,1,0,0,0|2,0,0]=4 1352 B6R0.4 CCCSC(=O)C TS32364 [0,1,1,0,0,0|0,0,0]=2 1353 B6R0.4 CCCSC(=O)Cl TS06329 [0,1,1,0,0,0|1,0,0]=3 1354 B6R0.4 CCCSC(C)C TS32368 [0,1,1,0,0,0|1,0,1]=4 1355 B6R0.4 CCNCC(=C)C TS03829 [0,1,1,0,0,0|1,0,0]=3 1356 B6R0.4 CCNCC(=O)O TS01936 [0,1,1,0,0,0|1,0,0]=3 1357 B6R0.4 CCOCC(=O)O TS16814 [0,1,1,0,0,0|1,0,0]=3 1358 B6R0.4 CCOCC(C)C TS03959 [0,1,1,0,0,0|1,0,1]=4 1359 B6R0.4 CCSCC(=O)C TS32360 [0,1,1,0,0,0|0,0,0]=2 1360 B6R0.4 CCSCC(=O)O TS04822 [0,1,1,0,0,0|1,0,0]=3 1361 B6R0.4 CCSCC(C)C TS04752 [0,1,1,0,0,0|1,0,1]=4 1362 B6R0.4 CN(C)CCCN TS39904 [0,1,1,0,0,0|2,0,0]=4 1363 B6R0.4 CN(C)CCCO TS03999 [0,1,1,0,0,0|2,0,0]=4 1364 B6R0.4 CNCCC(=O)O TS03990 [0,1,1,0,0,0|1,0,0]=3 1365 B6R0.4 CNCCN(C)C TS39408 [0,1,1,0,0,0|2,0,0]=4 1366 B6R0.4 COCCC(=O)O TS31660 [0,1,1,0,0,0|1,0,0]=3 1367 B6R0.5 CCCC(C)(C)Br TS42852 [0,1,1,0,0,0|1,0,1]=4 1368 B6R0.5 CCCC(C)(C)C TS03883 [0,1,1,0,0,0|1,0,1]=4 1369 B6R0.5 CCCC(C)(C)Cl TS04846 [0,1,1,0,0,0|1,0,1]=4 1370 B6R0.5 CCCC(C)(C)O TS31616 [0,1,1,0,0,0|0,0,2]=4 1371 B6R0.5 CCCC(C)(C)S TS04754 [0,1,1,0,0,0|0,1,1]=4 1372 B6R0.5 CCCP(=O)(O)O TS05003 [0,1,1,0,0,0|2,0,0]=4 1373 B6R0.5 CCCS(=O)(=O)Cl TS06808 [0,1,1,0,0,0|2,0,0]=4 1374 B6R0.5 CCCS(=O)(=O)N TS32582 [0,1,1,0,0,0|2,0,0]=4 1375 B6R0.5 CCCS(=O)(=O)O TS47023 [0,1,1,0,0,0|2,0,0]=4 1376 B6R0.5 CCCS(=O)(=O)[O-] TS40368 [0,1,1,0,0,0|2,0,0]=4 1377 B6R0.5 CCCS(=O)(=O)[O-] TS93317 [0,1,1,0,0,0|2,0,0]=4 1378 B6R0.5 CCC[Si](C)(C)Cl TS06146 [0,1,1,0,0,0|1,1,0]=4 1379 B6R0.5 CCOS(=O)(=O)C TS05031 [0,1,1,0,0,0|2,0,0]=4 1380 B6R0.5 CS(=O)(=O)CCN TS32778 [0,1,1,0,0,0|2,0,0]=4 1381 B6R0.5 CS(=O)(=O)CCO TS05032 [0,1,1,0,0,0|2,0,0]=4 1382 B6R0.6 C#CCCCCCl TS04652 [0,1,1,0,0,0|1,0,1]=4 1383 B6R0.6 C#CCCCCO TS31426 [0,1,1,0,0,0|1,0,1]=4 1384 B6R0.6 C(CC=O)CC=O TS03842 [0,1,1,0,0,0|0,0,1]=3 1385 B6R0.6 C(CC=O)CC=O TS38555 [0,1,1,0,0,0|0,0,1]=3 1386 B6R0.6 C(CCBr)CC#N TS11479 [0,1,1,0,0,0|1,0,1]=4 1387 B6R0.6 C(CCBr)CCBr TS07888 [0,1,1,0,0,0|1,0,1]=4 1388 B6R0.6 C(CCCl)CC#N TS08706 [0,1,1,0,0,0|1,0,1]=4 1389 B6R0.6 C(CCCl)CC=O TS32450 [0,1,1,0,0,0|0,0,0]=2 1390 B6R0.6 C(CCCl)CCBr TS48788 [0,1,1,0,0,0|1,0,1]=4 1391 B6R0.6 C(CCCl)CCCl TS06550 [0,1,1,0,0,0|1,0,1]=4 1392 B6R0.6 C(CCCl)CCI TS53384 [0,1,1,0,0,0|1,0,1]=4 1393 B6R0.6 C(CCCl)CC[Zn+] TS28126 [0,1,1,0,0,0|1,0,1]=4 1394 B6R0.6 C(CCI)CCI TS77462 [0,1,1,0,0,0|1,0,1]=4 1395 B6R0.6 C(CCN)CCN TS03978 [0,1,1,0,0,0|1,0,1]=4 1396 B6R0.6 C(CCN)CCN TS45899 [0,1,1,0,0,0|1,0,1]=4 1397 B6R0.6 C(CCN)CCO TS04006 [0,1,1,0,0,0|0,0,2]=4 1398 B6R0.6 C(CCO)CC=O TS03340 [0,1,1,0,0,0|0,0,0]=2 1399 B6R0.6 C(CCO)CCBr TS09812 [0,1,1,0,0,0|0,0,2]=4 1400 B6R0.6 C(CCO)CCCl TS71520 [0,1,1,0,0,0|0,0,2]=4 1401 B6R0.6 C(CCO)CCO TS46820 [0,1,1,0,0,0|0,0,2]=4 1402 B6R0.6 C(CCS)CCS TS37065 [0,1,1,0,0,0|0,1,1]=4 1403 B6R0.6 C(CC[Zn+])CC#N TS24406 [0,1,1,0,0,0|1,0,1]=4 1404 B6R0.6 C(CN=C=O)CCl TS04799 [0,1,1,0,0,0|1,0,1]=4 1405 B6R0.6 C(COCC=O)O TS31664 [0,1,1,0,0,0|1,0,0]=3 1406 B6R0.6 C=CCCCC#C TS03679 [0,1,1,0,0,0|1,0,1]=4 1407 B6R0.6 C=CCCCC=C TS03728 [0,1,1,0,0,0|1,0,1]=4 1408 B6R0.6 C=CCCCCBr TS33003 [0,1,1,0,0,0|1,0,0]=3 1409 B6R0.6 C=CCCCCCl TS04773 [0,1,1,0,0,0|1,0,0]=3 1410 B6R0.6 C=CCCCCN TS03830 [0,1,1,0,0,0|1,0,0]=3 1411 B6R0.6 C=CCCCCO TS71562 [0,1,1,0,0,0|1,0,0]=3 1412 B6R0.6 C=CCCOCCl TS04837 [0,1,1,0,0,0|2,0,0]=4 1413 B6R0.6 C=CCOCCBr TS42844 [0,1,1,0,0,0|2,0,0]=4 1414 B6R0.6 C=CCOCCCl TS32452 [0,1,1,0,0,0|2,0,0]=4 1415 B6R0.6 C=CCOCCO TS31592 [0,1,1,0,0,0|2,0,0]=4 1416 B6R0.6 CC=CCCCO TS31509 [0,1,1,0,0,0|1,0,1]=4 1417 B6R0.6 CC=CCCCO TS31521 [0,1,1,0,0,0|1,0,1]=4 1418 B6R0.6 CCC#CCC=C TS03677 [0,1,1,0,0,0|1,0,1]=4 1419 B6R0.6 CCC=CCC=O TS31443 [0,1,1,0,0,0|0,0,1]=3 1420 B6R0.6 CCCC#CC=C TS03678 [0,1,1,0,0,0|1,0,1]=4 1421 B6R0.6 CCCC=CC=O TS31421 [0,1,1,0,0,0|0,0,1]=3 1422 B6R0.6 CCCC=CC=O TS31438 [0,1,1,0,0,0|0,0,1]=3 1423 B6R0.6 CCCC=CC=O TS31444 [0,1,1,0,0,0|0,0,1]=3 1424 B6R0.6 CCCC=CCO TS03865 [0,1,1,0,0,0|0,0,2]=4 1425 B6R0.6 CCCCC#CC TS03724 [0,1,1,0,0,0|1,0,1]=4 1426 B6R0.6 CCCCC=CBr TS11653 [0,1,1,0,0,0|1,0,0]=3 1427 B6R0.6 CCCCC=CC TS03803 [0,1,1,0,0,0|1,0,0]=3 1428 B6R0.6 CCCCCC#C TS03726 [0,1,1,0,0,0|1,0,1]=4 1429 B6R0.6 CCCCCC#N TS31405 [0,1,1,0,0,0|1,0,1]=4 1430 B6R0.6 CCCCCC=C TS31453 [0,1,1,0,0,0|1,0,0]=3 1431 B6R0.6 CCCCCC=O TS39877 [0,1,1,0,0,0|0,0,0]=2 1432 B6R0.6 CCCCCCBr TS00036 [0,1,1,0,0,0|1,0,1]=4 1433 B6R0.6 CCCCCCC TS03885 [0,1,1,0,0,0|1,0,1]=4 1434 B6R0.6 CCCCCCCl TS04842 [0,1,1,0,0,0|1,0,1]=4 1435 B6R0.6 CCCCCCF TS31676 [0,1,1,0,0,0|1,0,1]=4 1436 B6R0.6 CCCCCCI TS93973 [0,1,1,0,0,0|1,0,1]=4 1437 B6R0.6 CCCCCCN TS31561 [0,1,1,0,0,0|1,0,1]=4 1438 B6R0.6 CCCCCCN TS37145 [0,1,1,0,0,0|1,0,1]=4 1439 B6R0.6 CCCCCCO TS39881 [0,1,1,0,0,0|0,0,2]=4 1440 B6R0.6 CCCCCCS TS04753 [0,1,1,0,0,0|0,1,1]=4 1441 B6R0.6 CCCCCC[SiH3] TS04643 [0,1,1,0,0,0|1,0,1]=4 1442 B6R0.6 CCCCCC[Zn+] TS24970 [0,1,1,0,0,0|1,0,1]=4 1443 B6R0.6 CCCCCNC TS03916 [0,1,1,0,0,0|1,0,1]=4 1444 B6R0.6 CCCCCNN TS06331 [0,1,1,0,0,0|1,0,1]=4 1445 B6R0.6 CCCCCSC TS04750 [0,1,1,0,0,0|0,1,1]=4 1446 B6R0.6 CCCCC[Mg]Cl TS36578 [0,1,1,0,0,0|1,0,1]=4 1447 B6R0.6 CCCCN=C=O TS93082 [0,1,1,0,0,0|0,0,1]=3 1448 B6R0.6 CCCCN=C=S TS04546 [0,1,1,0,0,0|0,1,1]=4 1449 B6R0.6 CCCCNC=O TS03902 [0,1,1,0,0,0|0,0,0]=2 1450 B6R0.6 CCCCNCC TS03925 [0,1,1,0,0,0|1,0,1]=4 1451 B6R0.6 CCCCOC=C TS33237 [0,1,1,0,0,0|1,0,0]=3 1452 B6R0.6 CCCCOC=O TS03954 [0,1,1,0,0,0|0,0,0]=2 1453 B6R0.6 CCCCOCC TS03964 [0,1,1,0,0,0|1,0,1]=4 1454 B6R0.6 CCCCOCCl TS04949 [0,1,1,0,0,0|1,0,1]=4 1455 B6R0.6 CCCCON=O TS31645 [0,1,1,0,0,0|1,0,0]=3 1456 B6R0.6 CCCCSC#N TS04545 [0,1,1,0,0,0|1,0,1]=4 1457 B6R0.6 CCCCSCC TS04749 [0,1,1,0,0,0|1,0,1]=4 1458 B6R0.6 CCCCS[SnH]=O TS23939 [0,1,1,0,0,0|1,0,0]=3 1459 B6R0.6 CCCNCCC TS39857 [0,1,1,0,0,0|1,0,1]=4 1460 B6R0.6 CCCNCCN TS03973 [0,1,1,0,0,0|1,0,1]=4 1461 B6R0.6 CCCNCCO TS04001 [0,1,1,0,0,0|0,0,2]=4 1462 B6R0.6 CCCOCCC TS03967 [0,1,1,0,0,0|1,0,1]=4 1463 B6R0.6 CCCOCCC TS49356 [0,1,1,0,0,0|1,0,1]=4 1464 B6R0.6 CCCOCCCl TS04951 [0,1,1,0,0,0|1,0,1]=4 1465 B6R0.6 CCCOCCN TS04012 [0,1,1,0,0,0|1,0,1]=4 1466 B6R0.6 CCCSC=CC TS04637 [0,1,1,0,0,0|1,0,1]=4 1467 B6R0.6 CCCSCC=C TS04636 [0,1,1,0,0,0|1,0,0]=3 1468 B6R0.6 CCCSCCC TS04756 [0,1,1,0,0,0|1,0,1]=4 1469 B6R0.6 CCCSCCO TS32433 [0,1,1,0,0,0|0,0,2]=4 1470 B6R0.6 CCC[Hg]CCC TS35002 [0,1,1,0,0,0|1,0,1]=4 1471 B6R0.6 CCNCCC#N TS03784 [0,1,1,0,0,0|1,0,1]=4 1472 B6R0.6 CCNCCCN TS03975 [0,1,1,0,0,0|1,0,1]=4 1473 B6R0.6 CCNCCNC TS03972 [0,1,1,0,0,0|2,0,0]=4 1474 B6R0.6 CCOCCC#N TS03822 [0,1,1,0,0,0|1,0,1]=4 1475 B6R0.6 CCOCCCBr TS12340 [0,1,1,0,0,0|1,0,1]=4 1476 B6R0.6 CCOCCCCl TS04950 [0,1,1,0,0,0|1,0,1]=4 1477 B6R0.6 CCOCCCN TS04010 [0,1,1,0,0,0|1,0,1]=4 1478 B6R0.6 CCOCCCO TS04028 [0,1,1,0,0,0|0,0,2]=4 1479 B6R0.6 CCOCCOC TS04027 [0,1,1,0,0,0|2,0,0]=4 1480 B6R0.6 CCSCCCO TS32432 [0,1,1,0,0,0|0,0,2]=4 1481 B6R0.6 CCSSCC=C TS36882 [0,1,1,0,0,0|2,0,0]=4 1482 B6R0.6 CNCCCNC TS56351 [0,1,1,0,0,0|2,0,0]=4 1483 B6R0.6 COCCCCBr TS03145 [0,1,1,0,0,0|1,0,1]=4 1484 B6R0.6 COCCCCCl TS39592 [0,1,1,0,0,0|1,0,1]=4 1485 B6R0.6 COCCCCO TS07977 [0,1,1,0,0,0|0,0,2]=4 1486 B6R0.6 COCCOC=C TS03941 [0,1,1,0,0,0|2,0,0]=4 1487 B6R0.6 CSCCCCO TS32429 [0,1,1,0,0,0|0,0,2]=4 1488 B6R0.6 CSCCCSC TS37067 [0,1,1,0,0,0|2,0,0]=4 1489 B6R0.6 [Li]CCCCCC TS03654 [0,1,1,0,0,0|1,0,1]=4 1490 B6R0.8 CCC(C)(C)CC TS03879 [0,1,1,0,0,0|1,0,1]=4 1491 B6R0.8 CCC(C)(CC)Br TS60333 [0,1,1,0,0,0|1,0,1]=4 1492 B6R0.8 CCC(C)(CC)O TS03968 [0,1,1,0,0,0|0,0,2]=4 1493 B6R0.8 CCP(=O)(CC)Cl TS37444 [0,1,1,0,0,0|1,0,0]=3 1494 B6R0.8 CCS(=O)(=O)CC TS32523 [0,1,1,0,0,0|1,0,0]=3 1495 B6R0.8 CC[Ge](CC)(Cl)Cl TS38163 [0,1,1,0,0,0|1,1,0]=4 1496 B6R0.8 CC[N+](C)(C)CC TS04796 [0,1,1,0,0,0|2,0,0]=4 1497 B6R0.8 CC[Si](CC)(Cl)Cl TS10828 [0,1,1,0,0,0|1,1,0]=4 1498 B6R0.8 CC[Sn](CC)(Cl)Cl TS27673 [0,1,1,0,0,0|2,0,0]=4 1499 B6R0.9 B(CC)(CC)CC TS31417 [0,1,1,0,0,0|2,0,0]=4 1500 B6R0.9 B(CC)(CC)OC TS31480 [0,1,1,0,0,0|1,0,1]=4 1501 B6R0.9 CCC(=CC)C=O TS31448 [0,1,1,0,0,0|0,0,1]=3 1502 B6R0.9 CCC(CC)C=C TS03805 [0,1,1,0,0,0|1,0,1]=4 1503 B6R0.9 CCC(CC)CBr TS11973 [0,1,1,0,0,0|1,0,1]=4 1504 B6R0.9 CCC(CC)CCl TS04847 [0,1,1,0,0,0|1,0,1]=4 1505 B6R0.9 CCC(CC)CN TS55314 [0,1,1,0,0,0|1,0,1]=4 1506 B6R0.9 CCC(CC)CO TS03962 [0,1,1,0,0,0|0,0,2]=4 1507 B6R0.9 CCN(CC)C=O TS39410 [0,1,1,0,0,0|1,0,0]=3 1508 B6R0.9 CCN(CC)CC TS00288 [0,1,1,0,0,0|2,0,0]=4 1509 B6R0.9 CCN(CC)CC TS00289 [0,1,1,0,0,0|2,0,0]=4 1510 B6R0.9 CCN(CC)CC TS42336 [0,1,1,0,0,0|2,0,0]=4 1511 B6R0.9 CCN(CC)CC TS48183 [0,1,1,0,0,0|2,0,0]=4 1512 B6R0.9 CCN(CC)CC TS70162 [0,1,1,0,0,0|2,0,0]=4 1513 B6R0.9 CCN(CC)CC TS94058 [0,1,1,0,0,0|2,0,0]=4 1514 B6R0.9 CCN(CC)CO TS04009 [0,1,1,0,0,0|1,0,1]=4 1515 B6R0.9 CCN(CC)N=O TS31604 [0,1,1,0,0,0|1,0,0]=3 1516 B6R0.9 CCP(CC)CC TS04731 [0,1,1,0,0,0|2,0,0]=4 1517 B6R0.9 CCP(CC)CC TS27543 [0,1,1,0,0,0|2,0,0]=4 1518 B6R0.9 CCP(CC)CC TS79051 [0,1,1,0,0,0|2,0,0]=4 1519 B6R0.9 CCP(CC)CC TS83252 [0,1,1,0,0,0|2,0,0]=4 1520 B6R0.9 CC[Al](CC)CC TS32086 [0,1,1,0,0,0|2,0,0]=4 1521 B6R0.9 CC[As](CC)CC TS11491 [0,1,1,0,0,0|2,0,0]=4 1522 B6R0.9 CC[Ga](CC)CC TS10805 [0,1,1,0,0,0|2,0,0]=4 1523 B6R0.9 CC[GeH](CC)CC TS11342 [0,1,1,0,0,0|1,1,0]=4 1524 B6R0.9 CC[In](CC)CC TS19303 [0,1,1,0,0,0|2,0,0]=4 1525 B6R0.9 CC[O+](CC)CC TS01629 [0,1,1,0,0,0|2,0,0]=4 1526 B6R0.9 CC[O+](CC)CC TS27702 [0,1,1,0,0,0|2,0,0]=4 1527 B6R0.9 CC[S+](CC)CC TS20090 [0,1,1,0,0,0|2,0,0]=4 1528 B6R0.9 CC[Sb](CC)CC TS43572 [0,1,1,0,0,0|2,0,0]=4 1529 B6R0.9 CC[SiH](CC)CC TS00290 [0,1,1,0,0,0|1,1,0]=4 1530 B6R1.5 C1C(CC1=O)Br TS90589 [0,1,0,0,1,0|0,0,0]=2 1531 B6R1.5 C1C(CC1=O)F TS92277 [0,1,0,0,1,0|0,0,0]=2 1532 B6R1.5 C1C(CC1=O)N TS88191 [0,1,0,0,1,0|0,0,0]=2 1533 B6R1.5 C1C(CC1F)N TS88693 [0,1,0,0,1,0|1,0,1]=4 1534 B6R1.5 C1C(CC1F)N TS90804 [0,1,0,0,1,0|1,0,1]=4 1535 B6R1.5 C1C(CC1F)N TS91981 [0,1,0,0,1,0|1,0,1]=4 1536 B6R1.5 C1C(CC1F)N TS92456 [0,1,0,0,1,0|1,0,1]=4 1537 B6R1.5 C1C(CC1N)N TS85662 [0,1,0,0,1,0|1,0,1]=4 1538 B6R1.5 C1C(CC1O)N TS87393 [0,1,0,0,1,0|0,0,2]=4 1539 B6R1.5 C1[C@@H](C[C@@H]1N)N TS92858 [0,1,0,0,1,0|1,0,1]=4 1540 B6R1.5 C1[C@@H](C[C@@H]1N)O TS01386 [0,1,0,0,1,0|0,0,2]=4 1541 B6R1.5 C1[C@@H](C[C@@H]1N)O TS85827 [0,1,0,0,1,0|0,0,2]=4 1542 B6R1.5 C1[C@@H](C[C@@H]1O)F TS92355 [0,1,0,0,1,0|0,0,2]=4 1543 B6R1.5 C1[C@@H](C[C@H]1N)N TS92784 [0,1,0,0,1,0|1,0,1]=4 1544 B6R1.5 C1[C@@H](C[C@H]1N)O TS59458 [0,1,0,0,1,0|0,0,2]=4 1545 B6R1.5 C1[C@@H](C[C@H]1N)O TS86662 [0,1,0,0,1,0|0,0,2]=4 1546 B6R1.5 C1[C@@H](C[C@H]1N)O TS87898 [0,1,0,0,1,0|0,0,2]=4 1547 B6R1.5 C1[C@@H](C[C@H]1O)F TS89804 [0,1,0,0,1,0|0,0,2]=4 1548 B6R1.5 C=C1CC(=O)O1 TS55716 [0,1,0,0,1,0|1,0,1]=4 1549 B6R1.5 CC1CC(=O)N1 TS71735 [0,1,0,0,1,0|1,0,0]=3 1550 B6R1.5 CN1CC(C1)N TS07739 [0,1,0,0,1,0|2,0,0]=4 1551 B6R1.5 CN1CC(C1)N TS88962 [0,1,0,0,1,0|2,0,0]=4 1552 B6R1.5 CN1CC(C1)O TS90519 [0,1,0,0,1,0|2,0,0]=4 1553 B6R1.6 C1CC(C1)C#N TS03443 [0,1,0,0,1,0|1,0,1]=4 1554 B6R1.6 C1CC(C1)C=O TS03489 [0,1,0,0,1,0|0,0,1]=3 1555 B6R1.6 C1CC(C1)CBr TS07532 [0,1,0,0,1,0|1,0,1]=4 1556 B6R1.6 C1CC(C1)CN TS89840 [0,1,0,0,1,0|1,0,1]=4 1557 B6R1.6 C1CC(C1)CO TS71752 [0,1,0,0,1,0|0,0,2]=4 1558 B6R1.6 C1CC(C1)NN TS01400 [0,1,0,0,1,0|1,0,1]=4 1559 B6R1.6 C1CC(C1)NN TS03544 [0,1,0,0,1,0|1,0,1]=4 1560 B6R1.6 CCC1CCC1 TS71715 [0,1,0,0,1,0|1,0,1]=4 1561 B6R1.10 C1CS(=O)(=O)C1 TS04092 [0,1,0,0,1,0|1,0,0]=3 1562 B6R1.10 C1C[Si](C1)(Cl)Cl TS06558 [0,1,0,0,1,0|1,1,0]=4 1563 B6R1.10 CC1(CCC1)N TS03516 [0,1,0,0,1,0|1,0,1]=4 1564 B6R1.10 C[Si]1(CCC1)C TS03887 [0,1,0,0,1,0|1,1,0]=4 1565 B6R1.10 C[Si]1(CCC1)Cl TS04848 [0,1,0,0,1,0|1,1,0]=4 1566 B8R1.2 C#CC1CCCNC1 TS89660 [0,1,0,0,0,1|1,0,1]=4 1567 B8R1.2 C#CC1CCCOC1 TS85837 [0,1,0,0,0,1|1,0,1]=4 1568 B8R1.2 C#CC1CCNCC1 TS87859 [0,1,0,0,0,1|1,0,1]=4 1569 B8R1.2 C#CC1CCOCC1 TS89052 [0,1,0,0,0,1|1,0,1]=4 1570 B8R1.2 C#CC1CCSCC1 TS92849 [0,1,0,0,0,1|1,0,1]=4 1571 B8R1.2 C1CC(=COC1)C=O TS31909 [0,1,0,0,0,1|0,0,1]=3 1572 B8R1.2 C1CC(CC=C1)C=O TS60200 [0,1,0,0,0,1|0,0,2]=4 1573 B8R1.2 C1CC(CNC1)C#N TS00184 [0,1,0,0,0,1|1,0,1]=4 1574 B8R1.2 C1CC(CNC1)C#N TS07292 [0,1,0,0,0,1|1,0,1]=4 1575 B8R1.2 C1CC(CNC1)CO TS88392 [0,1,0,0,0,1|0,0,2]=4 1576 B8R1.2 C1CC(COC1)C=O TS16821 [0,1,0,0,0,1|0,0,1]=3 1577 B8R1.2 C1CC(COC1)CBr TS86643 [0,1,0,0,0,1|1,0,1]=4 1578 B8R1.2 C1CC(COC1)CN TS46681 [0,1,0,0,0,1|1,0,1]=4 1579 B8R1.2 C1CC(COC1)CO TS86137 [0,1,0,0,0,1|0,0,2]=4 1580 B8R1.2 C1CCC(=CC1)C#N TS04115 [0,1,0,0,0,1|1,0,0]=3 1581 B8R1.2 C1CCC(=CC1)C=O TS31838 [0,1,0,0,0,1|0,0,0]=2 1582 B8R1.2 C1CCC(=CC1)CBr TS90142 [0,1,0,0,0,1|1,0,0]=3 1583 B8R1.2 C1CCC(=NO)CC1 TS04394 [0,1,0,0,0,1|0,0,1]=3 1584 B8R1.2 C1CCC(CC1)C#N TS31808 [0,1,0,0,0,1|1,0,1]=4 1585 B8R1.2 C1CCC(CC1)C#N TS40668 [0,1,0,0,0,1|1,0,1]=4 1586 B8R1.2 C1CCC(CC1)C=O TS01404 [0,1,0,0,0,1|0,0,1]=3 1587 B8R1.2 C1CCC(CC1)CBr TS46572 [0,1,0,0,0,1|1,0,1]=4 1588 B8R1.2 C1CCC(CC1)CCl TS36740 [0,1,0,0,0,1|1,0,1]=4 1589 B8R1.2 C1CCC(CC1)CN TS04402 [0,1,0,0,0,1|1,0,1]=4 1590 B8R1.2 C1CCC(CC1)CO TS04473 [0,1,0,0,0,1|0,0,2]=4 1591 B8R1.2 C1CCC(CC1)CS TS05617 [0,1,0,0,0,1|0,1,1]=4 1592 B8R1.2 C1CCC(CC1)NO TS10098 [0,1,0,0,0,1|0,0,2]=4 1593 B8R1.2 C1CCC(CC1)[Mg]Br TS50598 [0,1,0,0,0,1|1,0,1]=4 1594 B8R1.2 C1CCC(CC1)[Mg]Cl TS06810 [0,1,0,0,0,1|1,0,1]=4 1595 B8R1.2 C1CCN(CC1)C#N TS04210 [0,1,0,0,0,1|2,0,0]=4 1596 B8R1.2 C1CCN(CC1)C=O TS56398 [0,1,0,0,0,1|1,0,0]=3 1597 B8R1.2 C1CCN(CC1)CCl TS05849 [0,1,0,0,0,1|2,0,0]=4 1598 B8R1.2 C1CCN(CC1)CO TS32161 [0,1,0,0,0,1|1,0,1]=4 1599 B8R1.2 C1CCN(CC1)N=O TS01612 [0,1,0,0,0,1|1,0,0]=3 1600 B8R1.2 C1CCNC(C1)C#N TS85344 [0,1,0,0,0,1|1,0,1]=4 1601 B8R1.2 C1CCNC(C1)C=O TS04396 [0,1,0,0,0,1|0,0,1]=3 1602 B8R1.2 C1CCNC(C1)CN TS02462 [0,1,0,0,0,1|1,0,1]=4 1603 B8R1.2 C1CCNC(C1)CO TS02460 [0,1,0,0,0,1|0,0,2]=4 1604 B8R1.2 C1CCOC(C1)CCl TS05953 [0,1,0,0,0,1|1,0,1]=4 1605 B8R1.2 C1CCOC(C1)CN TS59436 [0,1,0,0,0,1|1,0,1]=4 1606 B8R1.2 C1CCOC(C1)CN TS59437 [0,1,0,0,0,1|1,0,1]=4 1607 B8R1.2 C1CCOC(C1)CO TS59577 [0,1,0,0,0,1|0,0,2]=4 1608 B8R1.2 C1CCOC(C1)ON TS59328 [0,1,0,0,0,1|0,0,2]=4 1609 B8R1.2 C1CN(CCN1)C=O TS00443 [0,1,0,0,0,1|1,0,0]=3 1610 B8R1.2 C1CN(CCN1)CO TS04601 [0,1,0,0,0,1|1,0,1]=4 1611 B8R1.2 C1CNC(=NC1)NN TS26789 [0,1,0,0,0,1|2,0,0]=4 1612 B8R1.2 C1CNCCC1C#N TS03067 [0,1,0,0,0,1|1,0,1]=4 1613 B8R1.2 C1CNCCC1C#N TS07290 [0,1,0,0,0,1|1,0,1]=4 1614 B8R1.2 C1CNCCC1C=O TS59355 [0,1,0,0,0,1|0,0,1]=3 1615 B8R1.2 C1CNCCC1CF TS86720 [0,1,0,0,0,1|1,0,1]=4 1616 B8R1.2 C1CNCCC1CN TS16890 [0,1,0,0,0,1|1,0,1]=4 1617 B8R1.2 C1CNCCC1CO TS85529 [0,1,0,0,0,1|0,0,2]=4 1618 B8R1.2 C1COCC(=C1)C=O TS31902 [0,1,0,0,0,1|0,0,1]=3 1619 B8R1.2 C1COCCC1C#N TS16666 [0,1,0,0,0,1|1,0,1]=4 1620 B8R1.2 C1COCCC1C=O TS59439 [0,1,0,0,0,1|0,0,1]=3 1621 B8R1.2 C1COCCC1CBr TS16902 [0,1,0,0,0,1|1,0,1]=4 1622 B8R1.2 C1COCCC1CI TS24100 [0,1,0,0,0,1|1,0,1]=4 1623 B8R1.2 C1COCCC1CN TS03003 [0,1,0,0,0,1|1,0,1]=4 1624 B8R1.2 C1COCCC1CN TS07685 [0,1,0,0,0,1|1,0,1]=4 1625 B8R1.2 C1COCCC1CO TS59440 [0,1,0,0,0,1|0,0,2]=4 1626 B8R1.2 C1COCCC1NN TS41226 [0,1,0,0,0,1|1,0,1]=4 1627 B8R1.2 C1COCCC1NN TS87156 [0,1,0,0,0,1|1,0,1]=4 1628 B8R1.2 C1COCCN1C#N TS04286 [0,1,0,0,0,1|2,0,0]=4 1629 B8R1.2 C1COCCN1C=O TS34591 [0,1,0,0,0,1|1,0,0]=3 1630 B8R1.2 C1COCCN1CCl TS06024 [0,1,0,0,0,1|2,0,0]=4 1631 B8R1.2 C1COCCN1CI TS24306 [0,1,0,0,0,1|2,0,0]=4 1632 B8R1.2 C1COCCN1N=O TS04571 [0,1,0,0,0,1|1,0,0]=3 1633 B8R1.2 C1CSCCC1C#N TS90376 [0,1,0,0,0,1|1,0,1]=4 1634 B8R1.2 C1CSCCC1CN TS91963 [0,1,0,0,0,1|1,0,1]=4 1635 B8R1.2 C1CSCCC1CO TS90016 [0,1,0,0,0,1|0,0,2]=4 1636 B8R1.2 C1C[C@@H](CNC1)C#N TS92391 [0,1,0,0,0,1|1,0,1]=4 1637 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [0,1,0,0,0,1|0,0,2]=4 1638 B8R1.2 C1C[C@H](CNC1)C#N TS92378 [0,1,0,0,0,1|1,0,1]=4 1639 B8R1.2 C1C[C@H](CNC1)CO TS46591 [0,1,0,0,0,1|0,0,2]=4 1640 B8R1.2 CCC1=CCCCC1 TS31842 [0,1,0,0,0,1|1,0,0]=3 1641 B8R1.2 CCC1CCCCC1 TS04342 [0,1,0,0,0,1|1,0,1]=4 1642 B8R1.2 CCC1CCCCN1 TS04398 [0,1,0,0,0,1|1,0,1]=4 1643 B8R1.2 CCN1CCCCC1 TS00439 [0,1,0,0,0,1|2,0,0]=4 1644 B8R1.2 CCN1CCCCC1 TS32031 [0,1,0,0,0,1|2,0,0]=4 1645 B8R1.2 CCN1CCNCC1 TS04487 [0,1,0,0,0,1|2,0,0]=4 1646 B8R1.2 CCN1CCOCC1 TS32166 [0,1,0,0,0,1|2,0,0]=4 1647 B8R1.2 CNC1CCCCC1 TS08095 [0,1,0,0,0,1|1,0,1]=4 1648 B8R1.2 CNC1CCCNC1 TS77173 [0,1,0,0,0,1|1,0,1]=4 1649 B8R1.2 CNC1CCOCC1 TS01608 [0,1,0,0,0,1|1,0,1]=4 1650 B8R1.2 CNC1CCOCC1 TS41077 [0,1,0,0,0,1|1,0,1]=4 1651 B8R1.2 COC1=CCCCC1 TS04308 [0,1,0,0,0,1|0,0,1]=3 1652 B8R1.2 COC1=CCOCC1 TS04435 [0,1,0,0,0,1|0,0,2]=4 1653 B8R1.2 COC1=NCCCC1 TS04387 [0,1,0,0,0,1|0,0,1]=3 1654 B8R1.2 COC1CCCCC1 TS32092 [0,1,0,0,0,1|0,0,2]=4 1655 B8R1.2 COC1CCCNC1 TS86602 [0,1,0,0,0,1|0,0,2]=4 1656 B8R1.2 COC1CCNCC1 TS03162 [0,1,0,0,0,1|0,0,2]=4 1657 B8R1.2 COC1CCNCC1 TS10095 [0,1,0,0,0,1|0,0,2]=4 1658 B8R1.2 CO[C@@H]1CCCNC1 TS90956 [0,1,0,0,0,1|0,0,2]=4 1659 B8R1.2 CO[C@@H]1CCCNC1 TS90967 [0,1,0,0,0,1|0,0,2]=4 1660 B8R1.2 CO[C@H]1CCCNC1 TS86418 [0,1,0,0,0,1|0,0,2]=4 1661 B8R1.2 CO[C@H]1CCCNC1 TS90968 [0,1,0,0,0,1|0,0,2]=4 1662 B8R1.2 CSC1=NCCCN1 TS68095 [0,1,0,0,0,1|1,1,0]=4 1663 B8R1.2 CSC1=NCCCS1 TS40582 [0,1,0,0,0,1|1,1,0]=4 1664 B8R1.2 CSC1CCCCC1 TS05616 [0,1,0,0,0,1|0,1,1]=4 1665 B8R1.2 CSC1CCNCC1 TS88660 [0,1,0,0,0,1|0,1,1]=4 1666 B8R1.2 [C-]#[N+]C1CCCCC1 TS34562 [0,1,0,0,0,1|1,0,1]=4 1667 B8R1.3 B=[O+2]1CCN(CC1)C TS32140 [0,1,0,0,0,1|2,0,0]=4 1668 B8R1.3 C1C(=O)OCC(=O)O1 TS32175 [0,1,0,0,0,1|1,0,1]=4 1669 B8R1.3 C1CC(=O)CCC1=O TS39842 [0,1,0,0,0,1|0,0,0]=2 1670 B8R1.3 C1CC(=O)CCC1O TS94873 [0,1,0,0,0,1|0,0,0]=2 1671 B8R1.3 C1CC(=O)NCC1=O TS59930 [0,1,0,0,0,1|0,0,1]=3 1672 B8R1.3 C1CC(=O)NCC1N TS88548 [0,1,0,0,0,1|0,0,0]=2 1673 B8R1.3 C1CC(CCC1Br)Br TS26770 [0,1,0,0,0,1|1,0,1]=4 1674 B8R1.3 C1CC(CCC1Cl)Cl TS10276 [0,1,0,0,0,1|1,0,1]=4 1675 B8R1.3 C1CC(CCC1N)N TS04489 [0,1,0,0,0,1|1,0,1]=4 1676 B8R1.3 C1CC(CCC1N)O TS02991 [0,1,0,0,0,1|0,0,2]=4 1677 B8R1.3 C1CC(CCC1N)O TS93903 [0,1,0,0,0,1|0,0,2]=4 1678 B8R1.3 C1CC(CCC1O)Cl TS05955 [0,1,0,0,0,1|0,0,2]=4 1679 B8R1.3 C1CC(CCC1O)O TS32227 [0,1,0,0,0,1|0,0,2]=4 1680 B8R1.3 C1CC(NCC1Cl)N TS05956 [0,1,0,0,0,1|1,0,1]=4 1681 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N TS93779 [0,1,0,0,0,1|0,0,2]=4 1682 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O TS89848 [0,1,0,0,0,1|0,0,2]=4 1683 B8R1.3 C1[C@@H](CC[C@H](C1)Cl)Cl TS10278 [0,1,0,0,0,1|1,0,1]=4 1684 B8R1.3 C1[C@@H](CC[C@H](C1)N)N TS59454 [0,1,0,0,0,1|1,0,1]=4 1685 B8R1.3 C1[C@@H](CC[C@H](C1)O)O TS32222 [0,1,0,0,0,1|0,0,2]=4 1686 B8R1.3 C=C1CCC(=C)CC1 TS04140 [0,1,0,0,0,1|1,0,0]=3 1687 B8R1.3 CC1=NNC(=O)CC1 TS04298 [0,1,0,0,0,1|1,0,1]=4 1688 B8R1.3 CC1CCC(=O)CC1 TS39765 [0,1,0,0,0,1|0,0,0]=2 1689 B8R1.3 CC1CCC(CC1)Br TS46222 [0,1,0,0,0,1|1,0,1]=4 1690 B8R1.3 CC1CCC(CC1)Cl TS36737 [0,1,0,0,0,1|1,0,1]=4 1691 B8R1.3 CC1CCC(CC1)O TS32101 [0,1,0,0,0,1|0,0,2]=4 1692 B8R1.3 CC1CCN(CC1)N TS04493 [0,1,0,0,0,1|1,0,1]=4 1693 B8R1.3 CN1CCC(=O)CC1 TS00486 [0,1,0,0,0,1|0,0,0]=2 1694 B8R1.3 CN1CCC(CC1)N TS91071 [0,1,0,0,0,1|1,0,1]=4 1695 B8R1.3 CN1CCC(CC1)O TS00485 [0,1,0,0,0,1|0,0,2]=4 1696 B8R1.3 CN1CCC(CC1)O TS87606 [0,1,0,0,0,1|0,0,2]=4 1697 B8R1.3 CN1CCN(CC1)C TS04488 [0,1,0,0,0,1|2,0,0]=4 1698 B8R1.3 CN1CCN(CC1)N TS04541 [0,1,0,0,0,1|2,0,0]=4 1699 B8R1.3 C[C@H]1CC[C@@H](CC1)C TS31961 [0,1,0,0,0,1|1,0,1]=4 1700 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS40806 [0,1,0,0,0,1|1,0,1]=4 1701 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS94786 [0,1,0,0,0,1|1,0,1]=4 1702 B8R1.3 C[C@H]1CC[C@@H](CC1)O TS32104 [0,1,0,0,0,1|0,0,2]=4 1703 B8R1.3 C[C@H]1CC[C@@H](NC1)C TS04401 [0,1,0,0,0,1|1,0,1]=4 1704 B8R1.3 C[C@H]1CC[C@H](CC1)C TS04337 [0,1,0,0,0,1|1,0,1]=4 1705 B8R1.3 C[C@H]1CC[C@H](CC1)N TS40803 [0,1,0,0,0,1|1,0,1]=4 1706 B8R1.3 C[C@H]1CC[C@H](CC1)O TS32107 [0,1,0,0,0,1|0,0,2]=4 1707 B8R1.4 C1C(=O)COCC1=O TS39664 [0,1,0,0,0,1|0,0,1]=3 1708 B8R1.4 C1C(=O)CSCC1=O TS86965 [0,1,0,0,0,1|0,0,1]=3 1709 B8R1.4 C1C(=O)NC(=O)CN1 TS59350 [0,1,0,0,0,1|1,0,1]=4 1710 B8R1.4 C1C(=O)OC(=O)CO1 TS32177 [0,1,0,0,0,1|1,0,1]=4 1711 B8R1.4 C1C(=O)OC(=S)CO1 TS36655 [0,1,0,0,0,1|1,0,1]=4 1712 B8R1.4 C1C(CNCC1Br)Br TS26943 [0,1,0,0,0,1|1,0,1]=4 1713 B8R1.4 C1CC(=CC(=O)C1)Br TS13615 [0,1,0,0,0,1|0,0,1]=3 1714 B8R1.4 C1CC(=CC(=O)C1)N TS39297 [0,1,0,0,0,1|0,0,1]=3 1715 B8R1.4 C1CC(=O)CC(=O)C1 TS39841 [0,1,0,0,0,1|0,0,0]=2 1716 B8R1.4 C1CC(=O)NC(=O)C1 TS04369 [0,1,0,0,0,1|0,0,1]=3 1717 B8R1.4 C1CC(=O)OC(=O)C1 TS56168 [0,1,0,0,0,1|0,0,1]=3 1718 B8R1.4 C1CC(CC(C1)O)N TS65882 [0,1,0,0,0,1|0,0,2]=4 1719 B8R1.4 C1CC(CC(C1)O)O TS32206 [0,1,0,0,0,1|0,0,2]=4 1720 B8R1.4 C1CC(NC(C1)Br)Br TS26942 [0,1,0,0,0,1|1,0,1]=4 1721 B8R1.4 C1CNC(=O)CC1=O TS00654 [0,1,0,0,0,1|0,0,1]=3 1722 B8R1.4 C1CNC(=O)CC1N TS02971 [0,1,0,0,0,1|0,0,0]=2 1723 B8R1.4 C1CNC(=O)CC1O TS03134 [0,1,0,0,0,1|0,0,0]=2 1724 B8R1.4 C1CNC(=O)C[C@@H]1O TS04536 [0,1,0,0,0,1|0,0,0]=2 1725 B8R1.4 C1CNC(=O)NC1=O TS32045 [0,1,0,0,0,1|1,0,1]=4 1726 B8R1.4 C1CNC(=O)OC1=O TS04515 [0,1,0,0,0,1|1,0,1]=4 1727 B8R1.4 CC1=CC(=O)CCC1 TS04198 [0,1,0,0,0,1|0,0,1]=3 1728 B8R1.4 CC1=CC(CCC1)O TS31949 [0,1,0,0,0,1|1,0,0]=3 1729 B8R1.4 CC1=CCCC(=O)O1 TS31918 [0,1,0,0,0,1|0,0,2]=4 1730 B8R1.4 CC1CC(=O)CCN1 TS59976 [0,1,0,0,0,1|0,0,0]=2 1731 B8R1.4 CC1CC(=O)CCO1 TS87534 [0,1,0,0,0,1|0,0,0]=2 1732 B8R1.4 CC1CC(CCN1)O TS85562 [0,1,0,0,0,1|0,0,2]=4 1733 B8R1.4 CC1CC(CCO1)O TS88683 [0,1,0,0,0,1|0,0,2]=4 1734 B8R1.4 CC1CC(CNC1)C TS65817 [0,1,0,0,0,1|1,0,1]=4 1735 B8R1.4 CC1CCCC(=C1)C TS48310 [0,1,0,0,0,1|1,0,0]=3 1736 B8R1.4 CC1CCCC(=O)O1 TS04447 [0,1,0,0,0,1|0,0,0]=2 1737 B8R1.4 CC1CCCC(C1)C TS04353 [0,1,0,0,0,1|1,0,1]=4 1738 B8R1.4 CC1CCCC(C1)C TS06754 [0,1,0,0,0,1|1,0,1]=4 1739 B8R1.4 CC1CCCC(N1)C TS00705 [0,1,0,0,0,1|1,0,1]=4 1740 B8R1.4 CC1CCN=C(S1)N TS05581 [0,1,0,0,0,1|2,0,0]=4 1741 B8R1.4 CC1CCNC(=N)C1 TS45483 [0,1,0,0,0,1|1,0,0]=3 1742 B8R1.4 CC1CCNC(C1)C TS07699 [0,1,0,0,0,1|1,0,1]=4 1743 B8R1.4 CC1CCOC(=O)C1 TS32063 [0,1,0,0,0,1|0,0,0]=2 1744 B8R1.4 CN1CCC=C(C1)Br TS21402 [0,1,0,0,0,1|1,0,1]=4 1745 B8R1.4 CN1CCCC(=O)C1 TS46998 [0,1,0,0,0,1|0,0,0]=2 1746 B8R1.4 CN1CCCC(C1)N TS46440 [0,1,0,0,0,1|1,0,1]=4 1747 B8R1.4 CN1CCCC(C1)O TS32155 [0,1,0,0,0,1|0,0,2]=4 1748 B8R1.4 CN1CCC[C@@H](C1)N TS89342 [0,1,0,0,0,1|1,0,1]=4 1749 B8R1.4 CN1CCC[C@@H](C1)N TS90187 [0,1,0,0,0,1|1,0,1]=4 1750 B8R1.4 CN1CCC[C@@H](C1)O TS90969 [0,1,0,0,0,1|0,0,2]=4 1751 B8R1.4 CN1CCC[C@H](C1)N TS91342 [0,1,0,0,0,1|1,0,1]=4 1752 B8R1.4 CN1CCC[C@H](C1)O TS90931 [0,1,0,0,0,1|0,0,2]=4 1753 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [0,1,0,0,0,1|0,0,0]=2 1754 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [0,1,0,0,0,1|0,0,0]=2 1755 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [0,1,0,0,0,1|0,0,0]=2 1756 B8R1.4 C[C@@H]1CCC[C@@H](N1)C TS55822 [0,1,0,0,0,1|1,0,1]=4 1757 B8R1.4 C[C@@H]1COCC(=O)N1 TS04524 [0,1,0,0,0,1|1,0,0]=3 1758 B8R1.4 C[C@@H]1C[C@@H](CCN1)O TS92594 [0,1,0,0,0,1|0,0,2]=4 1759 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [0,1,0,0,0,1|0,0,0]=2 1760 B8R1.4 C[C@H]1C[C@H](CCN1)O TS91872 [0,1,0,0,0,1|0,0,2]=4 1761 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,1,0,0,0,1|0,0,0]=2 1762 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,1,0,0,0,1|0,0,0]=2 1763 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [0,1,0,0,0,1|0,0,0]=2 1764 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,1,0,0,0,1|0,0,0]=2 1765 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,1,0,0,0,1|0,0,0]=2 1766 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,1,0,0,0,1|0,0,0]=2 1767 B8R1.5 C1CCC(C(C1)Br)Br TS26769 [0,1,0,0,0,1|1,0,1]=4 1768 B8R1.5 C1CCC(C(C1)F)Br TS48027 [0,1,0,0,0,1|1,0,1]=4 1769 B8R1.5 C1CCC(C(C1)N)N TS21352 [0,1,0,0,0,1|1,0,1]=4 1770 B8R1.5 C1CCC(C(C1)N)N TS67173 [0,1,0,0,0,1|1,0,1]=4 1771 B8R1.5 C1CCC(C(C1)O)Cl TS05949 [0,1,0,0,0,1|0,0,2]=4 1772 B8R1.5 C1CCC(C(C1)O)O TS32216 [0,1,0,0,0,1|0,0,2]=4 1773 B8R1.5 C1CCN(C(=O)C1)N TS32084 [0,1,0,0,0,1|0,0,0]=2 1774 B8R1.5 C1CC[C@@H]([C@@H](C1)Cl)Cl TS10277 [0,1,0,0,0,1|1,0,1]=4 1775 B8R1.5 C1CC[C@@H]([C@@H](C1)N)N TS04490 [0,1,0,0,0,1|1,0,1]=4 1776 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O TS32224 [0,1,0,0,0,1|0,0,2]=4 1777 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS07988 [0,1,0,0,0,1|1,0,1]=4 1778 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS22908 [0,1,0,0,0,1|1,0,1]=4 1779 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS93093 [0,1,0,0,0,1|1,0,1]=4 1780 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS10097 [0,1,0,0,0,1|0,0,2]=4 1781 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS32157 [0,1,0,0,0,1|0,0,2]=4 1782 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br TS26767 [0,1,0,0,0,1|1,0,1]=4 1783 B8R1.5 C1CC[C@H]([C@@H](C1)Cl)Cl TS10275 [0,1,0,0,0,1|1,0,1]=4 1784 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS01623 [0,1,0,0,0,1|1,0,1]=4 1785 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS09980 [0,1,0,0,0,1|1,0,1]=4 1786 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93516 [0,1,0,0,0,1|1,0,1]=4 1787 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93952 [0,1,0,0,0,1|1,0,1]=4 1788 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS22861 [0,1,0,0,0,1|0,0,2]=4 1789 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS41076 [0,1,0,0,0,1|0,0,2]=4 1790 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS46605 [0,1,0,0,0,1|0,0,2]=4 1791 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS94619 [0,1,0,0,0,1|0,0,2]=4 1792 B8R1.5 C1CC[C@H]([C@@H](C1)O)O TS32205 [0,1,0,0,0,1|0,0,2]=4 1793 B8R1.5 C1CC[C@H]([C@H](C1)N)O TS29487 [0,1,0,0,0,1|0,0,2]=4 1794 B8R1.5 C1CNC(=O)C(=O)N1 TS32054 [0,1,0,0,0,1|1,0,1]=4 1795 B8R1.5 C1CNCC(C1=O)Br TS60337 [0,1,0,0,0,1|0,0,0]=2 1796 B8R1.5 C1CNCC(C1=O)F TS88150 [0,1,0,0,0,1|0,0,0]=2 1797 B8R1.5 C1CNC[C@H]([C@@H]1F)F TS92380 [0,1,0,0,0,1|1,0,1]=4 1798 B8R1.5 C1CNC[C@H]([C@@H]1F)O TS90614 [0,1,0,0,0,1|0,0,2]=4 1799 B8R1.5 C1CNC[C@H]([C@@H]1O)F TS92239 [0,1,0,0,0,1|0,0,2]=4 1800 B8R1.5 C1CNC[C@H]([C@H]1F)F TS92601 [0,1,0,0,0,1|1,0,1]=4 1801 B8R1.5 C1CNC[C@H]([C@H]1O)F TS92722 [0,1,0,0,0,1|0,0,2]=4 1802 B8R1.5 C1COCC(C1=O)Br TS87523 [0,1,0,0,0,1|0,0,0]=2 1803 B8R1.5 C1COCC(C1=O)F TS90072 [0,1,0,0,0,1|0,0,0]=2 1804 B8R1.5 C1COC[C@@H]([C@H]1O)N TS88734 [0,1,0,0,0,1|0,0,2]=4 1805 B8R1.5 C1COC[C@H]([C@@H]1N)O TS89107 [0,1,0,0,0,1|0,0,2]=4 1806 B8R1.5 C1COC[C@H]([C@@H]1O)N TS90817 [0,1,0,0,0,1|0,0,2]=4 1807 B8R1.5 C1COC[C@H]([C@H]1N)O TS90200 [0,1,0,0,0,1|0,0,2]=4 1808 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,1,0,0,0,1|0,0,0]=2 1809 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,1,0,0,0,1|0,0,0]=2 1810 B8R1.5 CC1=C(CCCC1)C TS31858 [0,1,0,0,0,1|1,0,0]=3 1811 B8R1.5 CC1=CCCCC1=O TS31839 [0,1,0,0,0,1|0,0,1]=3 1812 B8R1.5 CC1=NCCCN1C TS04326 [0,1,0,0,0,1|2,0,0]=4 1813 B8R1.5 CC1CCCC=C1C TS31849 [0,1,0,0,0,1|1,0,0]=3 1814 B8R1.5 CC1CCCCC1=C TS31851 [0,1,0,0,0,1|1,0,0]=3 1815 B8R1.5 CC1CCCCC1=O TS01136 [0,1,0,0,0,1|0,0,0]=2 1816 B8R1.5 CC1CCCCC1C TS31973 [0,1,0,0,0,1|1,0,1]=4 1817 B8R1.5 CC1CCCCC1N TS32030 [0,1,0,0,0,1|1,0,1]=4 1818 B8R1.5 CC1CCCCC1O TS32109 [0,1,0,0,0,1|0,0,2]=4 1819 B8R1.5 CC1CCCNC1C TS22984 [0,1,0,0,0,1|1,0,1]=4 1820 B8R1.5 CC1CCNCC1=O TS92225 [0,1,0,0,0,1|0,0,0]=2 1821 B8R1.5 CC1CCNCC1O TS92278 [0,1,0,0,0,1|0,0,2]=4 1822 B8R1.5 CC1CNCCC1=O TS02832 [0,1,0,0,0,1|0,0,0]=2 1823 B8R1.5 CC1CNCCC1=O TS70671 [0,1,0,0,0,1|0,0,0]=2 1824 B8R1.5 CC1CNCCC1O TS03118 [0,1,0,0,0,1|0,0,2]=4 1825 B8R1.5 CC1CNCCN1C TS00350 [0,1,0,0,0,1|2,0,0]=4 1826 B8R1.5 CC1COCCC1=O TS89718 [0,1,0,0,0,1|0,0,0]=2 1827 B8R1.5 CN1CCCCC1=O TS04393 [0,1,0,0,0,1|0,0,0]=2 1828 B8R1.5 CN1CCNCC1=O TS89214 [0,1,0,0,0,1|1,0,0]=3 1829 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [0,1,0,0,0,1|1,0,1]=4 1830 B8R1.5 C[C@@H]1CCCC[C@H]1N TS04400 [0,1,0,0,0,1|1,0,1]=4 1831 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [0,1,0,0,0,1|0,0,2]=4 1832 B8R1.5 C[C@@H]1CCNC[C@@H]1O TS92055 [0,1,0,0,0,1|0,0,2]=4 1833 B8R1.5 C[C@@H]1CCNC[C@H]1O TS85847 [0,1,0,0,0,1|0,0,2]=4 1834 B8R1.5 C[C@@H]1CCNC[C@H]1O TS92197 [0,1,0,0,0,1|0,0,2]=4 1835 B8R1.5 C[C@@H]1COCC[C@@H]1N TS87953 [0,1,0,0,0,1|1,0,1]=4 1836 B8R1.5 C[C@@H]1COCC[C@H]1N TS90201 [0,1,0,0,0,1|1,0,1]=4 1837 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [0,1,0,0,0,1|0,0,2]=4 1838 B8R1.5 C[C@H]1CCNC[C@H]1O TS92848 [0,1,0,0,0,1|0,0,2]=4 1839 B8R1.72 C1CC(CNC1)(F)F TS16713 [0,1,0,0,0,1|1,0,1]=4 1840 B8R1.72 C1CCC(CC1)(F)F TS32422 [0,1,0,0,0,1|1,0,1]=4 1841 B8R1.72 C1CC[Si](CC1)(Cl)Cl TS44980 [0,1,0,0,0,1|1,1,0]=4 1842 B8R1.72 C1CNCCC1(F)F TS41835 [0,1,0,0,0,1|1,0,1]=4 1843 B8R1.72 C1CNCCC1(F)F TS90293 [0,1,0,0,0,1|1,0,1]=4 1844 B8R1.72 C1COCS(=O)(=O)N1 TS86280 [0,1,0,0,0,1|2,0,0]=4 1845 B8R1.72 C1COS(=O)(=O)OC1 TS37175 [0,1,0,0,0,1|2,0,0]=4 1846 B8R1.72 C1CS(=O)(=O)CCN1 TS01728 [0,1,0,0,0,1|1,0,0]=3 1847 B8R1.72 C1CS(=O)(=O)CCN1 TS46756 [0,1,0,0,0,1|1,0,0]=3 1848 B8R1.72 C1CS(=O)(=O)CCN1 TS87678 [0,1,0,0,0,1|1,0,0]=3 1849 B8R1.72 C1CS(=O)(=O)CCO1 TS36998 [0,1,0,0,0,1|1,0,0]=3 1850 B8R1.72 C1CS(=O)(=O)NCN1 TS37001 [0,1,0,0,0,1|2,0,0]=4 1851 B8R1.72 CC1(CCCCC1)O TS32093 [0,1,0,0,0,1|0,0,2]=4 1852 B8R1.72 CC1(CCCNC1)C TS04397 [0,1,0,0,0,1|1,0,1]=4 1853 B8R1.72 CC1(CCCNC1)C TS40807 [0,1,0,0,0,1|1,0,1]=4 1854 B8R1.72 CC1(CCCNC1)O TS91215 [0,1,0,0,0,1|0,0,2]=4 1855 B8R1.72 CC1(CCNCC1)C TS09562 [0,1,0,0,0,1|1,0,1]=4 1856 B8R1.72 CC1(CCNCC1)C TS86526 [0,1,0,0,0,1|1,0,1]=4 1857 B8R1.72 CC1(CCNCC1)O TS85719 [0,1,0,0,0,1|0,0,2]=4 1858 B8R1.72 CC1(CCNCC1)O TS91244 [0,1,0,0,0,1|0,0,2]=4 1859 B8R1.72 CC1(CCOCC1)N TS88636 [0,1,0,0,0,1|1,0,1]=4 1860 B8R1.72 C[N+]1(CCCCC1)C TS40805 [0,1,0,0,0,1|2,0,0]=4 1861 B8R1.72 C[Si]1(CCCCC1)C TS36373 [0,1,0,0,0,1|1,1,0]=4 1862 B8R1.72 C[Si]1(CCCCO1)C TS05625 [0,1,0,0,0,1|1,1,0]=4 1863 B8R1.1 C1C(CNC1=O)CN TS85675 [0,2,0,0,0,0|1,0,0]=3 1864 B8R1.1 C1C(CNC1=O)CO TS89668 [0,2,0,0,0,0|1,0,0]=3 1865 B8R1.1 C1C(OC(=O)N1)CCl TS06020 [0,2,0,0,0,0|2,0,0]=4 1866 B8R1.1 C1C(OC(=O)O1)CO TS04697 [0,2,0,0,0,0|2,0,0]=4 1867 B8R1.1 C1CC(=O)NC1CN TS32080 [0,2,0,0,0,0|1,0,0]=3 1868 B8R1.1 C1CC(=O)N[C@@H]1CBr TS46367 [0,2,0,0,0,0|1,0,0]=3 1869 B8R1.1 C1CC(=O)N[C@@H]1CN TS32077 [0,2,0,0,0,0|1,0,0]=3 1870 B8R1.1 C1CC(=O)N[C@@H]1CO TS00316 [0,2,0,0,0,0|1,0,0]=3 1871 B8R1.1 C1CC(=O)N[C@H]1CBr TS46368 [0,2,0,0,0,0|1,0,0]=3 1872 B8R1.1 C1CC(=O)N[C@H]1CN TS32073 [0,2,0,0,0,0|1,0,0]=3 1873 B8R1.1 C1CC(=O)O[C@@H]1CO TS00317 [0,2,0,0,0,0|1,0,0]=3 1874 B8R1.1 C1CC(=O)O[C@H]1CO TS39983 [0,2,0,0,0,0|1,0,0]=3 1875 B8R1.1 C1[C@@H](CNC1=O)CN TS92937 [0,2,0,0,0,0|1,0,0]=3 1876 B8R1.1 C1[C@H](CNC1=O)CN TS92288 [0,2,0,0,0,0|1,0,0]=3 1877 B8R1.1 C=CC1COC(=O)O1 TS32040 [0,2,0,0,0,0|2,0,0]=4 1878 B8R1.1 CCC1CCC(=O)C1 TS31941 [0,2,0,0,0,0|0,0,0]=2 1879 B8R1.1 CCC1CCC(=O)O1 TS04438 [0,2,0,0,0,0|1,0,0]=3 1880 B8R1.1 CCN1CCC(C1)O TS32153 [0,2,0,0,0,0|2,0,0]=4 1881 B8R1.1 CN1CCC(C1)CN TS88845 [0,2,0,0,0,0|2,0,0]=4 1882 B8R1.1 CN1CCC(C1)CO TS32163 [0,2,0,0,0,0|2,0,0]=4 1883 B8R1.1 CN1CC[C@@H](C1)CN TS91907 [0,2,0,0,0,0|2,0,0]=4 1884 B8R1.1 CN1CC[C@@H](C1)CO TS91738 [0,2,0,0,0,0|2,0,0]=4 1885 B8R1.1 CN1CC[C@H](C1)CN TS92039 [0,2,0,0,0,0|2,0,0]=4 1886 B8R1.1 CN1CC[C@H](C1)CO TS90974 [0,2,0,0,0,0|2,0,0]=4 1887 B8R1.1 CNC1CCN(C1)C TS04495 [0,2,0,0,0,0|2,0,0]=4 1888 B8R1.7 B(C1=CCCC1)(O)O TS94582 [0,2,0,0,0,0|0,0,2]=4 1889 B8R1.7 B(C1CCCC1)(O)O TS55826 [0,2,0,0,0,0|0,0,2]=4 1890 B8R1.7 C1CC(NC1)C(=O)N TS39860 [0,2,0,0,0,0|1,0,1]=4 1891 B8R1.7 C1CC(NC1)C(=O)O TS04527 [0,2,0,0,0,0|1,0,1]=4 1892 B8R1.7 C1CC(OC1)C(=O)O TS65650 [0,2,0,0,0,0|1,0,1]=4 1893 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [0,2,0,0,0,0|0,0,1]=3 1894 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [0,2,0,0,0,0|0,0,1]=3 1895 B8R1.7 C1CCC(C1)C(=O)N TS04395 [0,2,0,0,0,0|0,0,1]=3 1896 B8R1.7 C1CCC(C1)C(=O)O TS55824 [0,2,0,0,0,0|0,0,1]=3 1897 B8R1.7 C1CCN(C1)C(=N)N TS17769 [0,2,0,0,0,0|2,0,0]=4 1898 B8R1.7 C1CCN(C1)C(=N)N TS26633 [0,2,0,0,0,0|2,0,0]=4 1899 B8R1.7 C1CCN(C1)C(=O)Cl TS08208 [0,2,0,0,0,0|1,0,0]=3 1900 B8R1.7 C1CCN(C1)C(=S)N TS05578 [0,2,0,0,0,0|1,1,0]=4 1901 B8R1.7 C1CCN(C1)C(=S)S TS42816 [0,2,0,0,0,0|1,1,0]=4 1902 B8R1.7 C1CNCC1C(=O)N TS32074 [0,2,0,0,0,0|1,0,1]=4 1903 B8R1.7 C1CNCC1C(=O)N TS85947 [0,2,0,0,0,0|1,0,1]=4 1904 B8R1.7 C1CNCC1C(=O)O TS22734 [0,2,0,0,0,0|1,0,1]=4 1905 B8R1.7 C1CNC[C@@H]1C(=O)N TS86748 [0,2,0,0,0,0|1,0,1]=4 1906 B8R1.7 C1CNC[C@@H]1C(=O)O TS04526 [0,2,0,0,0,0|1,0,1]=4 1907 B8R1.7 C1CNC[C@H]1C(=O)N TS87104 [0,2,0,0,0,0|1,0,1]=4 1908 B8R1.7 C1CNC[C@H]1C(=O)N TS90204 [0,2,0,0,0,0|1,0,1]=4 1909 B8R1.7 C1CNC[C@H]1C(=O)O TS85658 [0,2,0,0,0,0|1,0,1]=4 1910 B8R1.7 C1COC=C1C(=O)O TS32035 [0,2,0,0,0,0|1,0,1]=4 1911 B8R1.7 C1COCC1C(=O)N TS88172 [0,2,0,0,0,0|1,0,1]=4 1912 B8R1.7 C1COCC1C(=O)O TS59430 [0,2,0,0,0,0|1,0,1]=4 1913 B8R1.7 C1COC[C@@H]1C(=O)O TS08087 [0,2,0,0,0,0|1,0,1]=4 1914 B8R1.7 C1COC[C@H]1C(=O)O TS32191 [0,2,0,0,0,0|1,0,1]=4 1915 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [0,2,0,0,0,0|1,0,1]=4 1916 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [0,2,0,0,0,0|1,0,1]=4 1917 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [0,2,0,0,0,0|1,0,1]=4 1918 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [0,2,0,0,0,0|1,0,1]=4 1919 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [0,2,0,0,0,0|1,0,1]=4 1920 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [0,2,0,0,0,0|1,0,1]=4 1921 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [0,2,0,0,0,0|1,0,1]=4 1922 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [0,2,0,0,0,0|1,0,1]=4 1923 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [0,2,0,0,0,0|1,0,1]=4 1924 B8R1.7 CC(=O)C1=CCCC1 TS31835 [0,2,0,0,0,0|0,0,1]=3 1925 B8R1.7 CC(=O)C1=NCCS1 TS05468 [0,2,0,0,0,0|2,0,0]=4 1926 B8R1.7 CC(=O)C1CCCC1 TS46943 [0,2,0,0,0,0|0,0,1]=3 1927 B8R1.7 CC(=O)C1CCCC1 TS52586 [0,2,0,0,0,0|0,0,1]=3 1928 B8R1.7 CC(=O)N1CCCC1 TS32010 [0,2,0,0,0,0|1,0,0]=3 1929 B8R1.7 CC(C)C1=CCCC1 TS31848 [0,2,0,0,0,0|1,0,1]=4 1930 B8R1.7 CC(C)C1CCCC1 TS04356 [0,2,0,0,0,0|1,0,1]=4 1931 B8R1.7 CC(C)C1CCCC1 TS30326 [0,2,0,0,0,0|1,0,1]=4 1932 B8R1.7 CC(C)C1CCCC1 TS63820 [0,2,0,0,0,0|1,0,1]=4 1933 B8R1.7 CC(C)C1CCCC1 TS67054 [0,2,0,0,0,0|1,0,1]=4 1934 B8R1.7 CC(C)C1CCCC1 TS72215 [0,2,0,0,0,0|1,0,1]=4 1935 B8R1.7 CC(C)C1CCCC1 TS73878 [0,2,0,0,0,0|1,0,1]=4 1936 B8R1.7 CC(C)C1CCCC1 TS74314 [0,2,0,0,0,0|1,0,1]=4 1937 B8R1.7 CC(C)C1CCCC1 TS82611 [0,2,0,0,0,0|1,0,1]=4 1938 B8R1.7 CC(C)C1CCCC1 TS82651 [0,2,0,0,0,0|1,0,1]=4 1939 B8R1.7 CC(C1CCCC1)O TS04475 [0,2,0,0,0,0|0,0,2]=4 1940 B8R1.8 C#CCC1CCCC1 TS04146 [0,2,0,0,0,0|1,0,1]=4 1941 B8R1.8 C1CCC(C1)CCN TS00978 [0,2,0,0,0,0|1,0,1]=4 1942 B8R1.8 C1CCC(C1)CCO TS04478 [0,2,0,0,0,0|0,0,2]=4 1943 B8R1.8 C1CCC(C1)N=C=O TS59760 [0,2,0,0,0,0|0,0,1]=3 1944 B8R1.8 C1CCC(C1)N=C=S TS36250 [0,2,0,0,0,0|0,1,1]=4 1945 B8R1.8 C1CCN(C1)CC#N TS04203 [0,2,0,0,0,0|2,0,0]=4 1946 B8R1.8 C1CCN(C1)CCBr TS46380 [0,2,0,0,0,0|2,0,0]=4 1947 B8R1.8 C1CCN(C1)CCN TS32117 [0,2,0,0,0,0|2,0,0]=4 1948 B8R1.8 C1CCN(C1)CCO TS32173 [0,2,0,0,0,0|1,0,1]=4 1949 B8R1.8 CCCC1CCCC1 TS31955 [0,2,0,0,0,0|1,0,1]=4 1950 B8R1.8 CCCC1CCCC1 TS57165 [0,2,0,0,0,0|1,0,1]=4 1951 B8R1.8 CCCC1CCCC1 TS67057 [0,2,0,0,0,0|1,0,1]=4 1952 B8R1.8 CCCC1CCCC1 TS69588 [0,2,0,0,0,0|1,0,1]=4 1953 B8R1.8 CCCC1CCCC1 TS69915 [0,2,0,0,0,0|1,0,1]=4 1954 B8R1.8 CCCC1CCCC1 TS72093 [0,2,0,0,0,0|1,0,1]=4 1955 B8R1.8 CCCC1CCCC1 TS72534 [0,2,0,0,0,0|1,0,1]=4 1956 B8R1.8 CCCC1CCCC1 TS81524 [0,2,0,0,0,0|1,0,1]=4 1957 B8R1.8 CCCC1CCCC1 TS82572 [0,2,0,0,0,0|1,0,1]=4 1958 B8R1.8 CCCC1CCCC1 TS82652 [0,2,0,0,0,0|1,0,1]=4 1959 B8R1.11 C1C(C(=O)CO1)C#N TS92869 [0,2,0,0,0,0|1,0,0]=3 1960 B8R1.11 C1C(C(=O)CS1)C#N TS05266 [0,2,0,0,0,0|1,0,0]=3 1961 B8R1.11 C1CC(=C(C1)N)C#N TS31772 [0,2,0,0,0,0|1,0,1]=4 1962 B8R1.11 C1CC(=O)C(=C1)CO TS31910 [0,2,0,0,0,0|0,0,2]=4 1963 B8R1.11 C1CC(=O)N(C1)CO TS04519 [0,2,0,0,0,0|1,0,0]=3 1964 B8R1.11 C1CC(C(=O)C1)C#N TS64878 [0,2,0,0,0,0|0,0,0]=2 1965 B8R1.11 C=CN1CCCC1=O TS04250 [0,2,0,0,0,0|1,0,0]=3 1966 B8R1.11 CCC1=C(CCC1)C TS04224 [0,2,0,0,0,0|1,0,1]=4 1967 B8R1.11 CCC1CCCC1=O TS31928 [0,2,0,0,0,0|0,0,0]=2 1968 B8R1.11 CCC1CCCC1C TS67055 [0,2,0,0,0,0|1,0,1]=4 1969 B8R1.11 CCN1CCCC1=O TS32015 [0,2,0,0,0,0|1,0,0]=3 1970 B8R1.11 CN1CCCC1CO TS46985 [0,2,0,0,0,0|2,0,0]=4 1971 B8R1.11 CN1CCC[C@@H]1CN TS88307 [0,2,0,0,0,0|2,0,0]=4 1972 B8R1.11 CN1CCC[C@@H]1CO TS87350 [0,2,0,0,0,0|2,0,0]=4 1973 B8R1.11 CN1CCC[C@H]1CN TS91663 [0,2,0,0,0,0|2,0,0]=4 1974 B8R1.11 CN1CCC[C@H]1CO TS18151 [0,2,0,0,0,0|2,0,0]=4 1975 B8R1.52 C1CCC(C1)(C#N)N TS07291 [0,2,0,0,0,0|1,0,1]=4 1976 B8R1.52 CCC1(CCCC1)C TS04357 [0,2,0,0,0,0|1,0,1]=4 1977 B8R1.52 CCC1(CCCC1)O TS39600 [0,2,0,0,0,0|0,0,2]=4 1978 B8R1.52 CC[N+]1(CCCC1)C TS16336 [0,2,0,0,0,0|2,0,0]=4 1979 B8R1.18 C1(C(NC(=O)N1)O)O TS04700 [0,2,0,0,0,0|2,0,0]=4 1980 B8R1.18 C1(C(OC(=O)O1)Cl)Cl TS02897 [0,2,0,0,0,0|2,0,0]=4 1981 B8R1.18 CC1CC(=C)C(=O)O1 TS31903 [0,2,0,0,0,0|1,0,1]=4 1982 B8R1.18 CC1CC(=O)CC1C TS31939 [0,2,0,0,0,0|0,0,0]=2 1983 B8R1.18 CC1CC(=O)N(N1)C TS32083 [0,2,0,0,0,0|2,0,0]=4 1984 B8R1.18 CC1CC(=O)OC1=O TS32036 [0,2,0,0,0,0|1,0,1]=4 1985 B8R1.18 CC1CC(C(=O)O1)Br TS47655 [0,2,0,0,0,0|1,0,0]=3 1986 B8R1.18 CN1CC(CC1=O)N TS88582 [0,2,0,0,0,0|1,0,0]=3 1987 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C TS04316 [0,2,0,0,0,0|0,0,0]=2 1988 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C TS31966 [0,2,0,0,0,0|1,0,1]=4 1989 B8R1.18 C[C@H]1C[C@@H]([C@H](C1)C)C TS04355 [0,2,0,0,0,0|1,0,1]=4 1990 B8R1.50 C1C(=O)C(C(=O)O1)Cl TS05937 [0,2,0,0,0,0|1,0,1]=4 1991 B8R1.50 C1CC(=O)N(C1=O)Br TS08620 [0,2,0,0,0,0|1,0,1]=4 1992 B8R1.50 C1CC(=O)N(C1=O)Cl TS08631 [0,2,0,0,0,0|1,0,1]=4 1993 B8R1.50 C1CC(=O)N(C1=O)I TS56402 [0,2,0,0,0,0|1,0,1]=4 1994 B8R1.50 C1CC(=O)N(C1=O)O TS39608 [0,2,0,0,0,0|1,0,1]=4 1995 B8R1.50 C1CN(C(=O)C1N)O TS04570 [0,2,0,0,0,0|1,0,0]=3 1996 B8R1.50 C1CN(C(=O)[C@@H]1N)O TS32200 [0,2,0,0,0,0|1,0,0]=3 1997 B8R1.50 C1CN(C(=O)[C@H]1N)O TS32193 [0,2,0,0,0,0|1,0,0]=3 1998 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O TS04694 [0,2,0,0,0,0|1,0,0]=3 1999 B8R1.50 CC1=C(C(=O)CC1)Br TS13616 [0,2,0,0,0,0|0,0,2]=4 2000 B8R1.50 CC1C(=O)CCC1=O TS04283 [0,2,0,0,0,0|0,0,1]=3 2001 B8R1.50 CC1CCC(=C1C)C TS31847 [0,2,0,0,0,0|1,0,1]=4 2002 B8R1.50 CC1CCC(=O)N1C TS04391 [0,2,0,0,0,0|1,0,0]=3 2003 B8R1.50 CC1CCC(C1O)O TS04585 [0,2,0,0,0,0|0,0,2]=4 2004 B8R1.50 CN1C(=O)CCC1=O TS04372 [0,2,0,0,0,0|1,0,1]=4 2005 B8R1.50 CN1C(CCC1=O)O TS04533 [0,2,0,0,0,0|1,0,0]=3 2006 B8R1.50 CN1CCN(C1=O)C TS32082 [0,2,0,0,0,0|2,0,0]=4 2007 B8R1.50 C[C@H]1[C@@H]([C@@H](CC1)C)C TS04338 [0,2,0,0,0,0|1,0,1]=4 2008 B8R1.51 C1C(CS(=O)(=O)O1)Br TS19145 [0,2,0,0,0,0|2,0,0]=4 2009 B8R1.51 C1CC(CC1N)(F)F TS89363 [0,2,0,0,0,0|1,0,1]=4 2010 B8R1.51 C1CC(C[C@@H]1N)(F)F TS92644 [0,2,0,0,0,0|1,0,1]=4 2011 B8R1.51 C1CC(C[C@H]1N)(F)F TS92671 [0,2,0,0,0,0|1,0,1]=4 2012 B8R1.51 C1CS(=O)(=O)CC1N TS05997 [0,2,0,0,0,0|1,0,0]=3 2013 B8R1.51 C1CS(=O)(=O)CC1O TS36999 [0,2,0,0,0,0|1,0,0]=3 2014 B8R1.51 CC1(CC(=O)C=C1)C TS31840 [0,2,0,0,0,0|0,0,2]=4 2015 B8R1.51 CC1(CC(=O)NC1)O TS04535 [0,2,0,0,0,0|1,0,0]=3 2016 B8R1.51 CC1(CCC(=O)N1)C TS32021 [0,2,0,0,0,0|1,0,0]=3 2017 B8R1.51 CC1(CCC(=O)O1)C TS16955 [0,2,0,0,0,0|1,0,0]=3 2018 B8R1.51 CC1(CCC(C1)N)O TS92743 [0,2,0,0,0,0|0,0,2]=4 2019 B8R1.51 CC1(COC(=O)N1)C TS90306 [0,2,0,0,0,0|2,0,0]=4 2020 B8R1.51 CC1CCC(C1)(C)C TS04349 [0,2,0,0,0,0|1,0,1]=4 2021 B8R1.51 CC1CCC(C1)(C)O TS32090 [0,2,0,0,0,0|0,0,2]=4 2022 B8R1.51 CC1CCS(=O)(=O)C1 TS05918 [0,2,0,0,0,0|1,0,0]=3 2023 B8R1.51 CP1(=O)CCC(=O)O1 TS05863 [0,2,0,0,0,0|2,0,0]=4 2024 B8R1.19 CC1(CCC=N1=O)C TS32646 [0,2,0,0,0,0|1,0,1]=4 2025 B8R1.19 CC1(CCCC1=O)C TS31947 [0,2,0,0,0,0|0,0,0]=2 2026 B8R1.19 CC1(CCOC1=O)Br TS47654 [0,2,0,0,0,0|1,0,0]=3 2027 B8R1.19 CC1(CCOC1=O)C TS55730 [0,2,0,0,0,0|1,0,0]=3 2028 B8R1.19 CC1CCCC1(C)O TS32102 [0,2,0,0,0,0|0,0,2]=4 2029 B8R1.19 CC1CCOS1(=O)=O TS37000 [0,2,0,0,0,0|2,0,0]=4 2030 B6R1.3 CCC[C@H]1CO1 TS71750 [0,0,1,1,0,0|0,0,2]=4 2031 B6R1.8 C=C1CC1CO TS03490 [0,0,1,1,0,0|2,0,0]=4 2032 B6R1.8 CC[C@@H]1C[C@@H]1C TS71712 [0,0,1,1,0,0|1,0,1]=4 2033 B6R1.9 CC1CC1(C)C TS71716 [0,0,1,1,0,0|1,0,1]=4 2034 B6R1.11 C1C(O1)C(=O)N TS03556 [0,0,1,1,0,0|2,0,0]=4 2035 B6R1.11 C1C(O1)C(=O)O TS71796 [0,0,1,1,0,0|2,0,0]=4 2036 B6R1.11 C1CC1C(=N)N TS03501 [0,0,1,1,0,0|2,0,0]=4 2037 B6R1.11 C1CC1C(=N)N TS04839 [0,0,1,1,0,0|2,0,0]=4 2038 B6R1.11 C1CC1C(=O)Cl TS22948 [0,0,1,1,0,0|1,0,0]=3 2039 B6R1.11 C1CC1C(=O)N TS55831 [0,0,1,1,0,0|1,0,0]=3 2040 B6R1.11 C1CC1C(=O)O TS55832 [0,0,1,1,0,0|1,0,0]=3 2041 B6R1.11 C1CC1C(=S)N TS94892 [0,0,1,1,0,0|1,1,0]=4 2042 B6R1.11 C1[C@H](N1)C(=O)[O-] TS71873 [0,0,1,1,0,0|2,0,0]=4 2043 B6R1.11 CC(=O)C1CC1 TS39597 [0,0,1,1,0,0|0,0,0]=2 2044 B6R1.11 CC(=O)C1CO1 TS03532 [0,0,1,1,0,0|1,0,0]=3 2045 B6R1.11 CC(=O)N1CC1 TS03506 [0,0,1,1,0,0|1,0,0]=3 2046 B6R1.11 CC(C)C1CC1 TS71711 [0,0,1,1,0,0|1,0,1]=4 2047 B6R1.11 C[C@@H](C1CC1)N TS03514 [0,0,1,1,0,0|1,0,1]=4 2048 B6R1.11 C[C@H](C1CC1)N TS03515 [0,0,1,1,0,0|1,0,1]=4 2049 B6R1.1 C1CC=COC1 TS02542 [0,0,1,1,0,0|0,0,2]=4 2050 B6R1.1 C1CCC=CC1 TS34559 [0,0,1,1,0,0|1,0,0]=3 2051 B6R1.1 C1CCCCC1 TS71717 [0,0,1,1,0,0|1,0,1]=4 2052 B6R1.1 C1CCNCC1 TS03510 [0,0,1,1,0,0|1,0,1]=4 2053 B6R1.1 C1CCNCC1 TS04882 [0,0,1,1,0,0|1,0,1]=4 2054 B6R1.1 C1CCNCC1 TS10261 [0,0,1,1,0,0|1,0,1]=4 2055 B6R1.1 C1CCNNC1 TS42014 [0,0,1,1,0,0|2,0,0]=4 2056 B6R1.1 C1CCOCC1 TS26775 [0,0,1,1,0,0|0,0,2]=4 2057 B6R1.1 C1CCOCC1 TS71756 [0,0,1,1,0,0|0,0,2]=4 2058 B6R1.1 C1CCSCC1 TS03983 [0,0,1,1,0,0|0,1,1]=4 2059 B6R1.1 C1CNC=NC1 TS71709 [0,0,1,1,0,0|2,0,0]=4 2060 B6R1.1 C1CNCC=C1 TS86919 [0,0,1,1,0,0|2,0,0]=4 2061 B8R2.11 C1[C@@H]2[C@@H]([C@H]2O)CN1 TS90177 [0,0,0,1,0,1|0,0,2]=4 2062 B8R2.18 C1C2C1CC(C2)N TS88361 [0,0,0,1,0,1|1,0,1]=4 2063 B8R2.23 C1C2CC1CNC2 TS91878 [0,0,0,1,0,1|1,0,1]=4 2064 B8R2.23 C1C2CNCC1O2 TS92433 [0,0,0,1,0,1|0,0,2]=4 2065 B8R2.25 C1CCC2C(C1)O2 TS34560 [0,0,0,1,0,1|0,0,2]=4 2066 B8R2.25 C1CCC2C(C1)S2 TS04498 [0,0,0,1,0,1|0,1,1]=4 2067 B8R2.25 C1CCC2CC2C1 TS03721 [0,0,0,1,0,1|1,0,1]=4 2068 B8R2.25 C1CNCC2C1C2 TS89727 [0,0,0,1,0,1|1,0,1]=4 2069 B8R2.34 C1CC2CC1CN2 TS31404 [0,0,0,1,0,1|1,0,1]=4 2070 B8R2.34 C1CC2CCC1N2 TS59525 [0,0,0,1,0,1|1,0,1]=4 2071 B8R2.34 C1CC2CCC1N2 TS87984 [0,0,0,1,0,1|1,0,1]=4 2072 B8R2.34 C1CC2CCC1O2 TS31431 [0,0,0,1,0,1|0,0,2]=4 2073 B4R1.1 C1CC=C1 TS65575 [1,0,0,0,1,0|0,0,1]=3 2074 B4R1.1 C1CCC1 TS02409 [1,0,0,0,1,0|0,0,0]=2 2075 B4R1.1 C1CNC1 TS55736 [1,0,0,0,1,0|1,0,0]=3 2076 B4R1.1 C1CNC1 TS55738 [1,0,0,0,1,0|1,0,0]=3 2077 B4R1.1 C1CNC1 TS91474 [1,0,0,0,1,0|1,0,0]=3 2078 B4R1.1 C1COC1 TS02415 [1,0,0,0,1,0|1,0,0]=3 2079 B4R1.1 C1CSC1 TS71618 [1,0,0,0,1,0|1,0,0]=3 2080 B4R1.2 C1CC1Br TS55840 [0,0,0,0,2,0|1,0,1]=4 2081 B4R1.2 C1CC1N TS55837 [0,0,0,0,2,0|1,0,1]=4 2082 B4R1.2 C=C1CC1 TS65571 [0,0,0,0,2,0|1,0,0]=3 2083 B4R1.2 c1cc1=O TS65568 [0,0,0,0,2,0|0,0,2]=4 2084 B8R1.22 C1CC(=O)CCC=C1 TS04197 [0,0,0,0,0,2|0,0,0]=2 2085 B8R1.22 C1CC(=O)CCNC1 TS89498 [0,0,0,0,0,2|0,0,0]=2 2086 B8R1.22 C1CC(CCNC1)F TS91335 [0,0,0,0,0,2|1,0,1]=4 2087 B8R1.22 C1CC(CCNC1)N TS04492 [0,0,0,0,0,2|1,0,1]=4 2088 B8R1.22 C1CC(CCNC1)O TS01362 [0,0,0,0,0,2|0,0,2]=4 2089 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,0,0,0,0,2|0,0,0]=2 2090 B8R1.22 C1CCC(=O)NCC1 TS04386 [0,0,0,0,0,2|0,0,0]=2 2091 B8R1.22 C1CCC(=O)NCC1 TS49157 [0,0,0,0,0,2|0,0,0]=2 2092 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,0,0,0,0,2|0,0,0]=2 2093 B8R1.22 C1CCC(=S)NCC1 TS05487 [0,0,0,0,0,2|0,1,0]=3 2094 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,0,0,0,0,2|0,0,0]=2 2095 B8R1.22 C1CCCC(CC1)Br TS46223 [0,0,0,0,0,2|1,0,1]=4 2096 B8R1.22 C1CCCC(CC1)Cl TS36739 [0,0,0,0,0,2|1,0,1]=4 2097 B8R1.22 C1CCCC(CC1)N TS04399 [0,0,0,0,0,2|1,0,1]=4 2098 B8R1.22 C1CCCC(CC1)O TS04470 [0,0,0,0,0,2|0,0,2]=4 2099 B8R1.22 C1CCCN(CC1)N TS04497 [0,0,0,0,0,2|2,0,0]=4 2100 B8R1.22 C1CCNC(=S)NC1 TS05580 [0,0,0,0,0,2|0,1,0]=3 2101 B8R1.22 C1CCNCC(C1)N TS07845 [0,0,0,0,0,2|1,0,1]=4 2102 B8R1.22 C1CNCC(=O)NC1 TS32078 [0,0,0,0,0,2|0,0,0]=2 2103 B8R1.22 C1COCC(=O)CO1 TS32190 [0,0,0,0,0,2|0,0,0]=2 2104 B8R1.22 C1COCCNC1=O TS04534 [0,0,0,0,0,2|0,0,0]=2 2105 B8R1.22 C=C1OCCCCO1 TS04434 [0,0,0,0,0,2|1,0,0]=3 2106 B8R1.22 CC1=CCCCCC1 TS04216 [0,0,0,0,0,2|1,0,0]=3 2107 B8R1.22 CC1CCCCCC1 TS04339 [0,0,0,0,0,2|1,0,1]=4 2108 B8R1.22 CC1OCCCCO1 TS32214 [0,0,0,0,0,2|1,0,1]=4 2109 B8R1.22 CN1CCCCCC1 TS32032 [0,0,0,0,0,2|2,0,0]=4 2110 B8R1.22 CN1CCCNCC1 TS00463 [0,0,0,0,0,2|2,0,0]=4