0 B7R1.1 C#CC1CCCC1 TS03680 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.1 C#CC1CCCC1 TS43724 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.1 C#CC1CCOC1 TS90205 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 C1C(OCO1)CO TS31671 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.1 C1C=CCC1CI TS43382 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.1 C1C=CCC1CO TS03780 [0,0,0,0,0,0|1,0,2]=3 6 B7R1.1 C1CC(=NO)NC1 TS03851 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.1 C1CC(NC1)C#N TS31381 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.1 C1CC(NC1)CN TS08246 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.1 C1CC(OC1)C=O TS16819 [0,0,0,0,0,0|0,0,2]=2 10 B7R1.1 C1CC(OC1)CBr TS42845 [0,0,0,0,0,0|1,0,0]=1 11 B7R1.1 C1CC(OC1)CCl TS32449 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.1 C1CC(OC1)CN TS39685 [0,0,0,0,0,0|1,0,0]=1 13 B7R1.1 C1CC(OC1)CO TS59435 [0,0,0,0,0,0|0,0,0]=0 14 B7R1.1 C1CC=C(C1)C#N TS71878 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.1 C1CC=C(C1)CBr TS90531 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.1 C1CCC(C1)C#N TS03699 [0,0,0,0,0,0|2,0,1]=3 17 B7R1.1 C1CCC(C1)C=O TS55823 [0,0,0,0,0,0|1,0,2]=3 18 B7R1.1 C1CCC(C1)CBr TS16535 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.1 C1CCC(C1)CO TS31527 [0,0,0,0,0,0|1,0,0]=1 20 B7R1.1 C1CCC(C1)CO TS44787 [0,0,0,0,0,0|1,0,0]=1 21 B7R1.1 C1CCC(C1)NN TS55828 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.1 C1CCC(C1)[Mg]Br TS45683 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.1 C1CCN(C1)C#N TS31374 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 C1CCN(C1)C=O TS03825 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.1 C1CCN(C1)CI TS43938 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 C1CCN(C1)N=O TS03853 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 C1CN=C(N1)CCl TS08710 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 C1CNCC1C#N TS22733 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.1 C1CNCC1C#N TS86150 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.1 C1CNCC1CO TS01674 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.1 C1CNCC1CO TS90843 [0,0,0,0,0,0|2,0,0]=2 32 B7R1.1 C1CNC[C@@H]1C#N TS89338 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.1 C1CNC[C@@H]1CO TS86165 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.1 C1CNC[C@@H]1CO TS87755 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.1 C1CNC[C@H]1C#N TS85734 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.1 C1CNC[C@H]1CO TS90835 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.1 C1CNC[C@H]1CO TS91204 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.1 C1COC(O1)CBr TS12331 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.1 C1COC(O1)CCl TS04942 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.1 C1COCC1C#N TS31394 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.1 C1COCC1C=O TS85084 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.1 C1COCC1CBr TS42850 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.1 C1COCC1CCl TS32453 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.1 C1COCC1CI TS21229 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.1 C1COCC1CN TS37140 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.1 C1COCC1CO TS90635 [0,0,0,0,0,0|2,0,0]=2 47 B7R1.1 C1COCC1NN TS13628 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.1 C1COC[C@@H]1C#N TS87940 [0,0,0,0,0,0|3,0,1]=4 49 B7R1.1 C1COC[C@@H]1CN TS86866 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.1 C1COC[C@@H]1CO TS90533 [0,0,0,0,0,0|2,0,0]=2 51 B7R1.1 C1COC[C@H]1C#N TS85881 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.1 C1COC[C@H]1CN TS87555 [0,0,0,0,0,0|3,0,0]=3 53 B7R1.1 C1COC[C@H]1CO TS91740 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.1 C1C[C@@H](NC1)C#N TS36734 [0,0,0,0,0,0|2,0,1]=3 55 B7R1.1 C1C[C@@H](NC1)C#N TS90491 [0,0,0,0,0,0|2,0,1]=3 56 B7R1.1 C1C[C@@H](NC1)CO TS55885 [0,0,0,0,0,0|1,0,0]=1 57 B7R1.1 C1C[C@@H](OC1)CN TS08645 [0,0,0,0,0,0|1,0,0]=1 58 B7R1.1 C1C[C@H](NC1)C#N TS46676 [0,0,0,0,0,0|2,0,1]=3 59 B7R1.1 C1C[C@H](NC1)C#N TS90329 [0,0,0,0,0,0|2,0,1]=3 60 B7R1.1 C1C[C@H](NC1)CF TS37317 [0,0,0,0,0,0|2,0,0]=2 61 B7R1.1 C1C[C@H](NC1)CF TS86985 [0,0,0,0,0,0|2,0,0]=2 62 B7R1.1 C1C[C@H](NC1)CN TS03869 [0,0,0,0,0,0|2,0,0]=2 63 B7R1.1 C1C[C@H](NC1)CN TS86369 [0,0,0,0,0,0|2,0,0]=2 64 B7R1.1 C1C[C@H](NC1)CO TS46675 [0,0,0,0,0,0|1,0,0]=1 65 B7R1.1 C1C[C@H](NC1)CO TS90617 [0,0,0,0,0,0|1,0,0]=1 66 B7R1.1 C1C[C@H](OC1)CN TS07684 [0,0,0,0,0,0|1,0,0]=1 67 B7R1.1 C1C[C@H](OC1)CO TS03948 [0,0,0,0,0,0|0,0,0]=0 68 B7R1.1 C1[C@H](NCS1)C#N TS09979 [0,0,0,0,0,0|3,0,1]=4 69 B7R1.1 C=CC1CCCC1 TS44110 [0,0,0,0,0,0|2,0,1]=3 70 B7R1.1 C=CC1OCCO1 TS03848 [0,0,0,0,0,0|2,0,1]=3 71 B7R1.1 CC=C1CCCC1 TS03729 [0,0,0,0,0,0|2,0,2]=4 72 B7R1.1 CCC1=CCCC1 TS03731 [0,0,0,0,0,0|2,0,1]=3 73 B7R1.1 CCC1=NCCO1 TS03816 [0,0,0,0,0,0|2,0,1]=3 74 B7R1.1 CCC1CCC=C1 TS03720 [0,0,0,0,0,0|2,0,1]=3 75 B7R1.1 CCC1CCCC1 TS21020 [0,0,0,0,0,0|2,0,0]=2 76 B7R1.1 CCC1CCCC1 TS21612 [0,0,0,0,0,0|2,0,0]=2 77 B7R1.1 CCC1CCCC1 TS35071 [0,0,0,0,0,0|2,0,0]=2 78 B7R1.1 CCC1CCCC1 TS57108 [0,0,0,0,0,0|2,0,0]=2 79 B7R1.1 CCC1CCCC1 TS57519 [0,0,0,0,0,0|2,0,0]=2 80 B7R1.1 CCC1CCCC1 TS62096 [0,0,0,0,0,0|2,0,0]=2 81 B7R1.1 CCC1CCCC1 TS70230 [0,0,0,0,0,0|2,0,0]=2 82 B7R1.1 CCC1CCCC1 TS70344 [0,0,0,0,0,0|2,0,0]=2 83 B7R1.1 CCC1CCCC1 TS75798 [0,0,0,0,0,0|2,0,0]=2 84 B7R1.1 CCC1CCCC1 TS78923 [0,0,0,0,0,0|2,0,0]=2 85 B7R1.1 CCC1CCCC1 TS80049 [0,0,0,0,0,0|2,0,0]=2 86 B7R1.1 CCC1OCCO1 TS03937 [0,0,0,0,0,0|2,0,0]=2 87 B7R1.1 CCN1CCCC1 TS03828 [0,0,0,0,0,0|3,0,0]=3 88 B7R1.1 CNC1CCNC1 TS03875 [0,0,0,0,0,0|4,0,0]=4 89 B7R1.1 CNC1CCOC1 TS87367 [0,0,0,0,0,0|4,0,0]=4 90 B7R1.1 CN[C@@H]1CCNC1 TS03876 [0,0,0,0,0,0|4,0,0]=4 91 B7R1.1 CN[C@@H]1CCOC1 TS90607 [0,0,0,0,0,0|4,0,0]=4 92 B7R1.1 CN[C@H]1CCOC1 TS85956 [0,0,0,0,0,0|4,0,0]=4 93 B7R1.1 COC1=NCCC1 TS03819 [0,0,0,0,0,0|3,0,1]=4 94 B7R1.1 COC1CCCC1 TS03863 [0,0,0,0,0,0|3,0,0]=3 95 B7R1.1 COC1CCNC1 TS02829 [0,0,0,0,0,0|4,0,0]=4 96 B7R1.1 COC1CCNC1 TS90836 [0,0,0,0,0,0|4,0,0]=4 97 B7R1.1 COC1OCCO1 TS31667 [0,0,0,0,0,0|3,0,0]=3 98 B7R1.1 CO[C@@H]1CCNC1 TS88166 [0,0,0,0,0,0|4,0,0]=4 99 B7R1.1 CO[C@@H]1CCNC1 TS89625 [0,0,0,0,0,0|4,0,0]=4 100 B7R1.1 CO[C@H]1CCNC1 TS85697 [0,0,0,0,0,0|4,0,0]=4 101 B7R1.1 CSC1CCCC1 TS04638 [0,0,0,0,0,0|3,0,0]=3 102 B7R1.1 [C-]#[N+]C1CCCC1 TS03697 [0,0,0,0,0,0|3,0,0]=3 103 B7R1.1 c1c(ocn1)CO TS91185 [0,0,0,0,0,0|1,0,3]=4 104 B7R1.1 c1cc(oc1)CO TS03766 [0,0,0,0,0,0|0,0,4]=4 105 B7R1.1 c1cnoc1CO TS31470 [0,0,0,0,0,0|1,0,3]=4 106 B7R1.1 c1coc(n1)CO TS89980 [0,0,0,0,0,0|1,0,3]=4 107 B6R1.2 C1C(CO[NH2+]1)O TS36081 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 C1C=CCC1O TS71171 [1,0,0,0,0,0|1,0,2]=4 109 B6R1.2 C1CC(=N)SC1 TS03910 [1,0,0,0,0,0|1,1,1]=4 110 B6R1.2 C1CC(=NC1)N TS04838 [1,0,0,0,0,0|2,0,1]=4 111 B6R1.2 C1CC(=O)NC1 TS39938 [1,0,0,0,0,0|1,0,2]=4 112 B6R1.2 C1CC(=O)NC1 TS63365 [1,0,0,0,0,0|1,0,2]=4 113 B6R1.2 C1CC(=O)SC1 TS31607 [1,0,0,0,0,0|0,1,2]=4 114 B6R1.2 C1CC(=S)NC1 TS03912 [1,0,0,0,0,0|1,1,1]=4 115 B6R1.2 C1CC(C=C1)Cl TS31621 [1,0,0,0,0,0|2,0,1]=4 116 B6R1.2 C1CC(OC1)N TS03559 [1,0,0,0,0,0|1,0,0]=2 117 B6R1.2 C1CC=C(C1)Cl TS31619 [1,0,0,0,0,0|2,0,1]=4 118 B6R1.2 C1CCC(=O)C1 TS03493 [1,0,0,0,0,0|1,0,2]=4 119 B6R1.2 C1CCC(C1)Br TS55827 [1,0,0,0,0,0|2,0,0]=3 120 B6R1.2 C1CCC(C1)Br TS68904 [1,0,0,0,0,0|2,0,0]=3 121 B6R1.2 C1CCC(C1)Cl TS04055 [1,0,0,0,0,0|2,0,0]=3 122 B6R1.2 C1CCC(C1)I TS18162 [1,0,0,0,0,0|2,0,0]=3 123 B6R1.2 C1CCC(C1)N TS34563 [1,0,0,0,0,0|2,0,0]=3 124 B6R1.2 C1CCC(C1)O TS71762 [1,0,0,0,0,0|1,0,0]=2 125 B6R1.2 C1CCC(C1)S TS03980 [1,0,0,0,0,0|1,1,0]=3 126 B6R1.2 C1CCC(C1)[SiH3] TS03890 [1,0,0,0,0,0|1,1,0]=3 127 B6R1.2 C1CCC(C1)[Zn+] TS44590 [1,0,0,0,0,0|2,0,0]=3 128 B6R1.2 C1CCN(C1)N TS03537 [1,0,0,0,0,0|3,0,0]=4 129 B6R1.2 C1CCN(C1)N TS32538 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 C1CCS(=O)C1 TS31677 [1,0,0,0,0,0|2,0,1]=4 131 B6R1.2 C1CNCC1F TS36083 [1,0,0,0,0,0|3,0,0]=4 132 B6R1.2 C1CNCC1F TS46663 [1,0,0,0,0,0|3,0,0]=4 133 B6R1.2 C1CNCC1N TS32537 [1,0,0,0,0,0|3,0,0]=4 134 B6R1.2 C1CNCC1O TS02802 [1,0,0,0,0,0|2,0,0]=3 135 B6R1.2 C1CNC[C@@H]1F TS00303 [1,0,0,0,0,0|3,0,0]=4 136 B6R1.2 C1CNC[C@@H]1F TS03597 [1,0,0,0,0,0|3,0,0]=4 137 B6R1.2 C1CNC[C@@H]1N TS03541 [1,0,0,0,0,0|3,0,0]=4 138 B6R1.2 C1CNC[C@@H]1N TS42016 [1,0,0,0,0,0|3,0,0]=4 139 B6R1.2 C1CNC[C@@H]1O TS87275 [1,0,0,0,0,0|2,0,0]=3 140 B6R1.2 C1CNC[C@@H]1O TS87623 [1,0,0,0,0,0|2,0,0]=3 141 B6R1.2 C1CNC[C@H]1F TS08083 [1,0,0,0,0,0|3,0,0]=4 142 B6R1.2 C1CNC[C@H]1F TS88030 [1,0,0,0,0,0|3,0,0]=4 143 B6R1.2 C1CNC[C@H]1N TS39939 [1,0,0,0,0,0|3,0,0]=4 144 B6R1.2 C1CNC[C@H]1N TS42017 [1,0,0,0,0,0|3,0,0]=4 145 B6R1.2 C1CNC[C@H]1O TS46618 [1,0,0,0,0,0|2,0,0]=3 146 B6R1.2 C1CNC[C@H]1O TS46665 [1,0,0,0,0,0|2,0,0]=3 147 B6R1.2 C1CNC[C@H]1O TS91049 [1,0,0,0,0,0|2,0,0]=3 148 B6R1.2 C1CNC[C@H]1O TS94423 [1,0,0,0,0,0|2,0,0]=3 149 B6R1.2 C1COC(=O)N1 TS03552 [1,0,0,0,0,0|1,0,2]=4 150 B6R1.2 C1COC(=O)O1 TS71793 [1,0,0,0,0,0|1,0,2]=4 151 B6R1.2 C1COC(=S)N1 TS03998 [1,0,0,0,0,0|1,1,1]=4 152 B6R1.2 C1COCC1Br TS88092 [1,0,0,0,0,0|3,0,0]=4 153 B6R1.2 C1COCC1Cl TS31737 [1,0,0,0,0,0|3,0,0]=4 154 B6R1.2 C1COCC1I TS86694 [1,0,0,0,0,0|3,0,0]=4 155 B6R1.2 C1COCC1N TS89945 [1,0,0,0,0,0|3,0,0]=4 156 B6R1.2 C1COCC1O TS06712 [1,0,0,0,0,0|2,0,0]=3 157 B6R1.2 C1COCC1O TS59434 [1,0,0,0,0,0|2,0,0]=3 158 B6R1.2 C1COCC1O TS89114 [1,0,0,0,0,0|2,0,0]=3 159 B6R1.2 C1COC[C@@H]1I TS91739 [1,0,0,0,0,0|3,0,0]=4 160 B6R1.2 C1COC[C@@H]1N TS04989 [1,0,0,0,0,0|3,0,0]=4 161 B6R1.2 C1COC[C@@H]1N TS85171 [1,0,0,0,0,0|3,0,0]=4 162 B6R1.2 C1COC[C@@H]1O TS01967 [1,0,0,0,0,0|2,0,0]=3 163 B6R1.2 C1COC[C@H]1I TS88696 [1,0,0,0,0,0|3,0,0]=4 164 B6R1.2 C1COC[C@H]1N TS46680 [1,0,0,0,0,0|3,0,0]=4 165 B6R1.2 C1COC[C@H]1O TS59862 [1,0,0,0,0,0|2,0,0]=3 166 B6R1.2 C1COP(O1)Cl TS36189 [1,0,0,0,0,0|3,0,0]=4 167 B6R1.2 C1COS(=O)O1 TS08730 [1,0,0,0,0,0|2,0,1]=4 168 B6R1.2 C1CSCC1Cl TS32541 [1,0,0,0,0,0|3,0,0]=4 169 B6R1.2 C1CSCC1N TS04016 [1,0,0,0,0,0|3,0,0]=4 170 B6R1.2 C1CSCC1O TS31682 [1,0,0,0,0,0|2,0,0]=3 171 B6R1.2 CC1=CCCC1 TS71683 [1,0,0,0,0,0|1,0,1]=3 172 B6R1.2 CC1=CCCO1 TS03492 [1,0,0,0,0,0|0,0,2]=3 173 B6R1.2 CC1=NCCC1 TS32917 [1,0,0,0,0,0|1,0,1]=3 174 B6R1.2 CC1=NCCO1 TS71733 [1,0,0,0,0,0|1,0,1]=3 175 B6R1.2 CC1=NCCS1 TS03913 [1,0,0,0,0,0|1,1,1]=4 176 B6R1.2 CC1CCCC1 TS22155 [1,0,0,0,0,0|1,0,0]=2 177 B6R1.2 CC1CCCC1 TS22325 [1,0,0,0,0,0|1,0,0]=2 178 B6R1.2 CC1CCCC1 TS31194 [1,0,0,0,0,0|1,0,0]=2 179 B6R1.2 CC1CCCC1 TS69413 [1,0,0,0,0,0|1,0,0]=2 180 B6R1.2 CC1CCCC1 TS77214 [1,0,0,0,0,0|1,0,0]=2 181 B6R1.2 CC1CCCC1 TS77590 [1,0,0,0,0,0|1,0,0]=2 182 B6R1.2 CC1CCCN1 TS03512 [1,0,0,0,0,0|1,0,0]=2 183 B6R1.2 CC1CCCO1 TS71748 [1,0,0,0,0,0|0,0,0]=1 184 B6R1.2 CC1CCCS1 TS03982 [1,0,0,0,0,0|0,1,0]=2 185 B6R1.2 CC1CCNC1 TS04878 [1,0,0,0,0,0|2,0,0]=3 186 B6R1.2 CC1CCOC1 TS71755 [1,0,0,0,0,0|2,0,0]=3 187 B6R1.2 CC1CCSC1 TS03984 [1,0,0,0,0,0|2,0,0]=3 188 B6R1.2 CC1COCO1 TS03579 [1,0,0,0,0,0|1,0,0]=2 189 B6R1.2 CC1OCCO1 TS03576 [1,0,0,0,0,0|1,0,0]=2 190 B6R1.2 CC1SCCS1 TS32438 [1,0,0,0,0,0|1,1,0]=3 191 B6R1.2 CN1CCCC1 TS85196 [1,0,0,0,0,0|2,0,0]=3 192 B6R1.2 C[C@@H]1CCNC1 TS46531 [1,0,0,0,0,0|2,0,0]=3 193 B6R1.2 C[C@H]1CCCN1 TS08127 [1,0,0,0,0,0|1,0,0]=2 194 B6R1.2 C[C@H]1CCCN1 TS59864 [1,0,0,0,0,0|1,0,0]=2 195 B6R1.2 C[C@H]1CCNC1 TS04879 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.1 C1=CC(=O)O[C@@H]1CO TS32034 [0,1,0,0,0,0|0,0,3]=4 197 B8R1.1 C1=CC(=O)O[C@H]1CO TS32043 [0,1,0,0,0,0|0,0,3]=4 198 B8R1.1 C1C(CNC1=O)CO TS89668 [0,1,0,0,0,0|2,0,1]=4 199 B8R1.1 C1C(OC(=O)N1)CCl TS06020 [0,1,0,0,0,0|2,0,1]=4 200 B8R1.1 C1C(OC(=O)O1)CO TS04697 [0,1,0,0,0,0|1,0,1]=3 201 B8R1.1 C1C(ON=C1Br)CO TS47815 [0,1,0,0,0,0|1,0,1]=3 202 B8R1.1 C1CC(=O)NC1CN TS32080 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.1 C1CC(=O)N[C@@H]1CBr TS46367 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.1 C1CC(=O)N[C@@H]1CN TS32077 [0,1,0,0,0,0|2,0,1]=4 205 B8R1.1 C1CC(=O)N[C@@H]1CO TS00316 [0,1,0,0,0,0|1,0,1]=3 206 B8R1.1 C1CC(=O)N[C@H]1CBr TS46368 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.1 C1CC(=O)N[C@H]1CN TS32073 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.1 C1CC(=O)O[C@@H]1CO TS00317 [0,1,0,0,0,0|0,0,1]=2 209 B8R1.1 C1CC(=O)O[C@H]1CO TS39983 [0,1,0,0,0,0|0,0,1]=2 210 B8R1.1 C1[C@@H](C=C[C@@H]1N)CO TS32012 [0,1,0,0,0,0|1,0,1]=3 211 B8R1.1 CCC1CCC(=O)C1 TS31941 [0,1,0,0,0,0|2,0,1]=4 212 B8R1.1 CCC1CCC(=O)O1 TS04438 [0,1,0,0,0,0|1,0,1]=3 213 B8R1.1 CCN1CCC(C1)O TS32153 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.1 CN1CCC(C1)CN TS88845 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.1 CN1CCC(C1)CO TS32163 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.1 CN1CC[C@@H](C1)CN TS91907 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.1 CN1CC[C@@H](C1)CO TS91738 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.1 CN1CC[C@H](C1)CN TS92039 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.1 CN1CC[C@H](C1)CO TS90974 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.7 B(C1=CCCC1)(O)O TS94582 [0,1,0,0,0,0|2,0,1]=4 221 B8R1.7 B(C1CCCC1)(O)O TS55826 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.7 C1C(NCS1)C(=O)O TS05827 [0,1,0,0,0,0|2,0,1]=4 223 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [0,1,0,0,0,0|0,0,3]=4 224 B8R1.7 C1CC(NC1)C(=O)N TS39860 [0,1,0,0,0,0|1,0,2]=4 225 B8R1.7 C1CC(NC1)C(=O)O TS04527 [0,1,0,0,0,0|1,0,1]=3 226 B8R1.7 C1CC(OC1)C(=O)O TS65650 [0,1,0,0,0,0|0,0,1]=2 227 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [0,1,0,0,0,0|1,0,2]=4 228 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [0,1,0,0,0,0|1,0,2]=4 229 B8R1.7 C1CCC(C1)C(=O)N TS04395 [0,1,0,0,0,0|1,0,2]=4 230 B8R1.7 C1CCC(C1)C(=O)O TS55824 [0,1,0,0,0,0|1,0,1]=3 231 B8R1.7 C1CNCC1C(=O)O TS22734 [0,1,0,0,0,0|2,0,1]=4 232 B8R1.7 C1CNC[C@@H]1C(=O)O TS04526 [0,1,0,0,0,0|2,0,1]=4 233 B8R1.7 C1CNC[C@H]1C(=O)O TS85658 [0,1,0,0,0,0|2,0,1]=4 234 B8R1.7 C1COCC1C(=O)O TS59430 [0,1,0,0,0,0|2,0,1]=4 235 B8R1.7 C1COC[C@@H]1C(=O)O TS08087 [0,1,0,0,0,0|2,0,1]=4 236 B8R1.7 C1COC[C@H]1C(=O)O TS32191 [0,1,0,0,0,0|2,0,1]=4 237 B8R1.7 C1CSC(N1)C(=O)O TS05828 [0,1,0,0,0,0|1,1,1]=4 238 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [0,1,0,0,0,0|1,0,2]=4 239 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [0,1,0,0,0,0|1,0,2]=4 240 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [0,1,0,0,0,0|1,0,1]=3 241 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [0,1,0,0,0,0|1,0,1]=3 242 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [0,1,0,0,0,0|0,0,1]=2 243 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [0,1,0,0,0,0|1,0,2]=4 244 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [0,1,0,0,0,0|1,0,2]=4 245 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [0,1,0,0,0,0|1,0,1]=3 246 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [0,1,0,0,0,0|0,0,1]=2 247 B8R1.7 C1[C@@H](NCS1)C(=O)O TS05829 [0,1,0,0,0,0|2,0,1]=4 248 B8R1.7 CC(=O)C1CCCC1 TS46943 [0,1,0,0,0,0|1,0,2]=4 249 B8R1.7 CC(=O)C1CCCC1 TS52586 [0,1,0,0,0,0|1,0,2]=4 250 B8R1.7 CC(C)C1=CCCC1 TS31848 [0,1,0,0,0,0|2,0,1]=4 251 B8R1.7 CC(C)C1CCCC1 TS04356 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.7 CC(C)C1CCCC1 TS30326 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.7 CC(C)C1CCCC1 TS63820 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.7 CC(C)C1CCCC1 TS67054 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.7 CC(C)C1CCCC1 TS72215 [0,1,0,0,0,0|2,0,0]=3 256 B8R1.7 CC(C)C1CCCC1 TS73878 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.7 CC(C)C1CCCC1 TS74314 [0,1,0,0,0,0|2,0,0]=3 258 B8R1.7 CC(C)C1CCCC1 TS82611 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.7 CC(C)C1CCCC1 TS82651 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.7 CC(C1=NCCN1)O TS32075 [0,1,0,0,0,0|2,0,1]=4 261 B8R1.7 CC(C1CCCC1)O TS04475 [0,1,0,0,0,0|1,0,0]=2 262 B8R1.7 CN(C)C1OCCO1 TS04669 [0,1,0,0,0,0|3,0,0]=4 263 B8R1.8 C#CCC1CCCC1 TS04146 [0,1,0,0,0,0|2,0,0]=3 264 B8R1.8 C1CC(NC1)CCO TS91871 [0,1,0,0,0,0|1,0,0]=2 265 B8R1.8 C1CCC(C1)CCN TS00978 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.8 C1CCC(C1)CCO TS04478 [0,1,0,0,0,0|1,0,0]=2 267 B8R1.8 C1CCC(C1)N=C=O TS59760 [0,1,0,0,0,0|1,0,2]=4 268 B8R1.8 C1CCC(C1)N=C=S TS36250 [0,1,0,0,0,0|1,1,1]=4 269 B8R1.8 C1CCN(C1)CC#N TS04203 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.8 C1CCN(C1)CCBr TS46380 [0,1,0,0,0,0|3,0,0]=4 271 B8R1.8 C1CCN(C1)CCN TS32117 [0,1,0,0,0,0|3,0,0]=4 272 B8R1.8 C1CCN(C1)CCO TS32173 [0,1,0,0,0,0|2,0,0]=3 273 B8R1.8 C1CNCC1CCO TS88089 [0,1,0,0,0,0|2,0,0]=3 274 B8R1.8 C1COC(O1)CCBr TS47043 [0,1,0,0,0,0|2,0,0]=3 275 B8R1.8 C1COC(O1)CCCl TS06134 [0,1,0,0,0,0|2,0,0]=3 276 B8R1.8 C1COC(O1)CCN TS39612 [0,1,0,0,0,0|2,0,0]=3 277 B8R1.8 C1COC(O1)C[Mg]Br TS51359 [0,1,0,0,0,0|2,0,0]=3 278 B8R1.8 C1COCN1CCO TS04674 [0,1,0,0,0,0|3,0,0]=4 279 B8R1.8 CCCC1CCCC1 TS31955 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.8 CCCC1CCCC1 TS57165 [0,1,0,0,0,0|2,0,0]=3 281 B8R1.8 CCCC1CCCC1 TS67057 [0,1,0,0,0,0|2,0,0]=3 282 B8R1.8 CCCC1CCCC1 TS69588 [0,1,0,0,0,0|2,0,0]=3 283 B8R1.8 CCCC1CCCC1 TS69915 [0,1,0,0,0,0|2,0,0]=3 284 B8R1.8 CCCC1CCCC1 TS72093 [0,1,0,0,0,0|2,0,0]=3 285 B8R1.8 CCCC1CCCC1 TS72534 [0,1,0,0,0,0|2,0,0]=3 286 B8R1.8 CCCC1CCCC1 TS81524 [0,1,0,0,0,0|2,0,0]=3 287 B8R1.8 CCCC1CCCC1 TS82572 [0,1,0,0,0,0|2,0,0]=3 288 B8R1.8 CCCC1CCCC1 TS82652 [0,1,0,0,0,0|2,0,0]=3 289 B8R1.8 CCNC1CCNC1 TS04484 [0,1,0,0,0,0|3,0,0]=4 290 B8R1.8 CCN[C@@H]1CCNC1 TS04494 [0,1,0,0,0,0|3,0,0]=4 291 B8R1.8 CCN[C@H]1CCNC1 TS04485 [0,1,0,0,0,0|3,0,0]=4 292 B8R1.8 CCOC1CCCO1 TS04591 [0,1,0,0,0,0|1,0,0]=2 293 B8R1.8 CCO[C@@H]1CCNC1 TS85740 [0,1,0,0,0,0|3,0,0]=4 294 B8R1.8 CCO[C@H]1CCNC1 TS90259 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.8 CNCC1CCCO1 TS32151 [0,1,0,0,0,0|1,0,0]=2 296 B8R1.8 COCC1CCCN1 TS32164 [0,1,0,0,0,0|1,0,0]=2 297 B8R1.8 COCC1CCCO1 TS04584 [0,1,0,0,0,0|0,0,0]=1 298 B8R1.8 COCC1CCNC1 TS87730 [0,1,0,0,0,0|2,0,0]=3 299 B8R1.8 COC[C@@H]1CCCN1 TS32165 [0,1,0,0,0,0|1,0,0]=2 300 B8R1.8 COC[C@@H]1CCNC1 TS91884 [0,1,0,0,0,0|2,0,0]=3 301 B8R1.8 COC[C@H]1CCCN1 TS32345 [0,1,0,0,0,0|1,0,0]=2 302 B8R1.8 COC[C@H]1CCNC1 TS91991 [0,1,0,0,0,0|2,0,0]=3 303 B8R1.11 C1CC(=O)C(=C1)CO TS31910 [0,1,0,0,0,0|1,0,2]=4 304 B8R1.11 C1CC(=O)N(C1)CO TS04519 [0,1,0,0,0,0|2,0,0]=3 305 B8R1.11 C1CC(C(=O)C1)C#N TS64878 [0,1,0,0,0,0|2,0,1]=4 306 B8R1.11 C1CO[C@@H]([C@H]1O)CO TS32319 [0,1,0,0,0,0|0,0,0]=1 307 B8R1.11 CCC1=C(CCC1)C TS04224 [0,1,0,0,0,0|2,0,1]=4 308 B8R1.11 CCC1CCCC1=O TS31928 [0,1,0,0,0,0|2,0,0]=3 309 B8R1.11 CCC1CCCC1C TS67055 [0,1,0,0,0,0|2,0,0]=3 310 B8R1.11 CCN1CCCC1=O TS32015 [0,1,0,0,0,0|3,0,0]=4 311 B8R1.11 CN1CCCC1CO TS46985 [0,1,0,0,0,0|1,0,0]=2 312 B8R1.11 CN1CCC[C@@H]1CN TS88307 [0,1,0,0,0,0|2,0,0]=3 313 B8R1.11 CN1CCC[C@@H]1CO TS87350 [0,1,0,0,0,0|1,0,0]=2 314 B8R1.11 CN1CCC[C@H]1CN TS91663 [0,1,0,0,0,0|2,0,0]=3 315 B8R1.11 CN1CCC[C@H]1CO TS18151 [0,1,0,0,0,0|1,0,0]=2 316 B8R1.11 C[C@@H]1CNC[C@H]1CO TS32158 [0,1,0,0,0,0|2,0,0]=3 317 B8R1.52 C1CCC(C1)(C#N)N TS07291 [0,1,0,0,0,0|2,0,1]=4 318 B8R1.52 C1CNCC1(CF)O TS92712 [0,1,0,0,0,0|3,0,0]=4 319 B8R1.52 C1CNCC1(CO)O TS92591 [0,1,0,0,0,0|2,0,0]=3 320 B8R1.52 C1COCC1(CO)N TS87185 [0,1,0,0,0,0|2,0,0]=3 321 B8R1.52 CC1(CCCO1)CN TS86672 [0,1,0,0,0,0|1,0,0]=2 322 B8R1.52 CC1(CCOC1)CN TS90521 [0,1,0,0,0,0|3,0,0]=4 323 B8R1.52 CCC1(CCCC1)C TS04357 [0,1,0,0,0,0|2,0,0]=3 324 B8R1.52 CCC1(CCCC1)O TS39600 [0,1,0,0,0,0|2,0,0]=3 325 B8R1.52 CCC1(OCCO1)C TS04593 [0,1,0,0,0,0|2,0,0]=3 326 B8R1.52 CC[N+]1(CCCC1)C TS16336 [0,1,0,0,0,0|3,0,0]=4 327 B8R1.52 C[C@@]1(CCCN1)CO TS92383 [0,1,0,0,0,0|1,0,0]=2 328 B8R1.52 C[C@]1(CCCN1)CO TS91971 [0,1,0,0,0,0|1,0,0]=2 329 B6R0.1 C(C#N)C(CCl)O TS04800 [0,0,1,0,0,0|2,0,1]=4 330 B6R0.1 C(C#N)[C@@H](CCl)O TS60183 [0,0,1,0,0,0|2,0,1]=4 331 B6R0.1 C(C#N)[C@@H](CO)O TS31545 [0,0,1,0,0,0|1,0,1]=3 332 B6R0.1 C(C#N)[C@H](CCl)O TS04801 [0,0,1,0,0,0|2,0,1]=4 333 B6R0.1 C(CBr)C(CBr)Br TS35747 [0,0,1,0,0,0|3,0,0]=4 334 B6R0.1 C(CBr)C(CCl)Cl TS38906 [0,0,1,0,0,0|3,0,0]=4 335 B6R0.1 C(CCl)C(CCl)O TS06819 [0,0,1,0,0,0|2,0,0]=3 336 B6R0.1 C(CO)C(CO)O TS04081 [0,0,1,0,0,0|1,0,0]=2 337 B6R0.1 C(CO)C(CO)O TS94708 [0,0,1,0,0,0|1,0,0]=2 338 B6R0.1 C(CO)[C@@H](CO)O TS94709 [0,0,1,0,0,0|1,0,0]=2 339 B6R0.1 C(CO)[C@H](CCl)O TS36026 [0,0,1,0,0,0|2,0,0]=3 340 B6R0.1 C(CO)[C@H](CO)O TS04082 [0,0,1,0,0,0|1,0,0]=2 341 B6R0.1 C([C@@H](COS)O)O TS31783 [0,0,1,0,0,0|2,0,0]=3 342 B6R0.1 CCC(=O)OCC TS03938 [0,0,1,0,0,0|2,0,1]=4 343 B6R0.1 CCC(C#CC)O TS31428 [0,0,1,0,0,0|1,0,2]=4 344 B6R0.1 CCC(C)C#CC TS03735 [0,0,1,0,0,0|2,0,1]=4 345 B6R0.1 CCC(C)C=CC TS03791 [0,0,1,0,0,0|2,0,1]=4 346 B6R0.1 CCC(C)CCBr TS42853 [0,0,1,0,0,0|3,0,0]=4 347 B6R0.1 CCC(C)CCO TS31615 [0,0,1,0,0,0|3,0,0]=4 348 B6R0.1 CCC(C)ON=O TS31635 [0,0,1,0,0,0|3,0,0]=4 349 B6R0.1 CCC(C)SCC TS04755 [0,0,1,0,0,0|1,1,0]=3 350 B6R0.1 CCC(C=CC)O TS03868 [0,0,1,0,0,0|1,0,2]=4 351 B6R0.1 CCC(CC#C)O TS31435 [0,0,1,0,0,0|1,0,2]=4 352 B6R0.1 CCC(CC=C)O TS31532 [0,0,1,0,0,0|1,0,2]=4 353 B6R0.1 CCC(CCN)N TS03976 [0,0,1,0,0,0|3,0,0]=4 354 B6R0.1 CCC(COC)N TS04013 [0,0,1,0,0,0|3,0,0]=4 355 B6R0.1 CCC(COC)O TS04038 [0,0,1,0,0,0|2,0,0]=3 356 B6R0.1 CCCC(=C)CC TS03794 [0,0,1,0,0,0|2,0,1]=4 357 B6R0.1 CCCC(=O)CC TS31522 [0,0,1,0,0,0|1,0,2]=4 358 B6R0.1 CCCC(C#C)O TS31446 [0,0,1,0,0,0|1,0,1]=3 359 B6R0.1 CCCC(C)C#C TS31387 [0,0,1,0,0,0|2,0,1]=4 360 B6R0.1 CCCC(C)C=C TS03798 [0,0,1,0,0,0|2,0,1]=4 361 B6R0.1 CCCC(C)C=O TS01565 [0,0,1,0,0,0|1,0,2]=4 362 B6R0.1 CCCC(C)CBr TS42857 [0,0,1,0,0,0|2,0,0]=3 363 B6R0.1 CCCC(C)CC TS03886 [0,0,1,0,0,0|2,0,0]=3 364 B6R0.1 CCCC(C)CO TS39282 [0,0,1,0,0,0|1,0,0]=2 365 B6R0.1 CCCC(C)NC TS03920 [0,0,1,0,0,0|3,0,0]=4 366 B6R0.1 CCCC(C=C)O TS03859 [0,0,1,0,0,0|1,0,1]=3 367 B6R0.1 CCCC(CBr)Br TS52925 [0,0,1,0,0,0|2,0,0]=3 368 B6R0.1 CCCC(CC)Br TS42856 [0,0,1,0,0,0|2,0,0]=3 369 B6R0.1 CCCC(CC)Cl TS04841 [0,0,1,0,0,0|2,0,0]=3 370 B6R0.1 CCCC(CC)I TS44109 [0,0,1,0,0,0|2,0,0]=3 371 B6R0.1 CCCC(CC)N TS31564 [0,0,1,0,0,0|2,0,0]=3 372 B6R0.1 CCCC(CC)O TS31611 [0,0,1,0,0,0|1,0,0]=2 373 B6R0.1 CCCC(CC)S TS40939 [0,0,1,0,0,0|1,1,0]=3 374 B6R0.1 CCCC(CC)[Zn+] TS24971 [0,0,1,0,0,0|2,0,0]=3 375 B6R0.1 CCCC(CCl)Cl TS06553 [0,0,1,0,0,0|2,0,0]=3 376 B6R0.1 CCCC(CO)O TS04026 [0,0,1,0,0,0|0,0,0]=1 377 B6R0.1 CCC[C@@H](CO)N TS04002 [0,0,1,0,0,0|1,0,0]=2 378 B6R0.1 CCC[C@@H](CO)O TS04042 [0,0,1,0,0,0|0,0,0]=1 379 B6R0.1 CCC[C@H](CO)N TS04000 [0,0,1,0,0,0|1,0,0]=2 380 B6R0.1 CCOC(=O)CBr TS56141 [0,0,1,0,0,0|2,0,1]=4 381 B6R0.1 CCOC(=O)CCl TS39825 [0,0,1,0,0,0|2,0,1]=4 382 B6R0.1 CCOC(=O)CF TS65215 [0,0,1,0,0,0|2,0,1]=4 383 B6R0.1 CCOC(=O)CN TS31646 [0,0,1,0,0,0|2,0,1]=4 384 B6R0.1 CCOC(=O)CN TS33221 [0,0,1,0,0,0|2,0,1]=4 385 B6R0.1 CCOC(=O)CO TS56147 [0,0,1,0,0,0|1,0,1]=3 386 B6R0.1 CCOC(=O)CS TS01466 [0,0,1,0,0,0|1,1,1]=4 387 B6R0.1 CCOC(=O)NO TS04067 [0,0,1,0,0,0|2,0,1]=4 388 B6R0.1 CCOC(CBr)Br TS25152 [0,0,1,0,0,0|2,0,0]=3 389 B6R0.1 CCOC(CCl)Cl TS06818 [0,0,1,0,0,0|2,0,0]=3 390 B6R0.1 CC[C@H](C)CCBr TS42859 [0,0,1,0,0,0|3,0,0]=4 391 B6R0.1 CC[C@H](C)CCO TS31612 [0,0,1,0,0,0|3,0,0]=4 392 B6R0.1 CNCC(CO)O TS04078 [0,0,1,0,0,0|1,0,0]=2 393 B6R0.1 COCC(CCl)O TS36028 [0,0,1,0,0,0|2,0,0]=3 394 B6R0.1 COCC(CF)O TS31763 [0,0,1,0,0,0|2,0,0]=3 395 B6R0.1 COCC(CO)O TS04080 [0,0,1,0,0,0|1,0,0]=2 396 B6R0.1 CSCC(CO)O TS32525 [0,0,1,0,0,0|1,0,0]=2 397 B6R0.1 C[C@@H](CCO)CO TS04034 [0,0,1,0,0,0|2,0,0]=3 398 B6R0.1 C[C@H](CCO)CO TS04033 [0,0,1,0,0,0|2,0,0]=3 399 B6R0.6 C#CCCCCCl TS04652 [0,0,1,0,0,0|2,0,1]=4 400 B6R0.6 C#CCCCCO TS31426 [0,0,1,0,0,0|1,0,1]=3 401 B6R0.6 C#CCOCCO TS31499 [0,0,1,0,0,0|0,0,2]=3 402 B6R0.6 C(CBr)OCCBr TS08788 [0,0,1,0,0,0|2,0,0]=3 403 B6R0.6 C(CCBr)CC#N TS11479 [0,0,1,0,0,0|2,0,1]=4 404 B6R0.6 C(CCBr)CCBr TS07888 [0,0,1,0,0,0|2,0,0]=3 405 B6R0.6 C(CCCl)CC#N TS08706 [0,0,1,0,0,0|2,0,1]=4 406 B6R0.6 C(CCCl)CC=O TS32450 [0,0,1,0,0,0|1,0,2]=4 407 B6R0.6 C(CCCl)CCBr TS48788 [0,0,1,0,0,0|2,0,0]=3 408 B6R0.6 C(CCCl)CCCl TS06550 [0,0,1,0,0,0|2,0,0]=3 409 B6R0.6 C(CCCl)CCI TS53384 [0,0,1,0,0,0|2,0,0]=3 410 B6R0.6 C(CCCl)CC[Zn+] TS28126 [0,0,1,0,0,0|2,0,0]=3 411 B6R0.6 C(CCI)CCI TS77462 [0,0,1,0,0,0|2,0,0]=3 412 B6R0.6 C(CCN)CCN TS03978 [0,0,1,0,0,0|2,0,0]=3 413 B6R0.6 C(CCN)CCN TS45899 [0,0,1,0,0,0|2,0,0]=3 414 B6R0.6 C(CCN)CCO TS04006 [0,0,1,0,0,0|1,0,0]=2 415 B6R0.6 C(CCO)CC=O TS03340 [0,0,1,0,0,0|0,0,2]=3 416 B6R0.6 C(CCO)CCBr TS09812 [0,0,1,0,0,0|1,0,0]=2 417 B6R0.6 C(CCO)CCCl TS71520 [0,0,1,0,0,0|1,0,0]=2 418 B6R0.6 C(CCO)CCO TS46820 [0,0,1,0,0,0|0,0,0]=1 419 B6R0.6 C(CCS)CCS TS37065 [0,0,1,0,0,0|0,2,0]=3 420 B6R0.6 C(CC[Zn+])CC#N TS24406 [0,0,1,0,0,0|2,0,1]=4 421 B6R0.6 C(CCl)NCCCl TS55773 [0,0,1,0,0,0|3,0,0]=4 422 B6R0.6 C(CCl)OCCCl TS00044 [0,0,1,0,0,0|2,0,0]=3 423 B6R0.6 C(CI)OCCI TS63369 [0,0,1,0,0,0|2,0,0]=3 424 B6R0.6 C(CNCCN)N TS04014 [0,0,1,0,0,0|3,0,0]=4 425 B6R0.6 C(CNCCO)N TS00063 [0,0,1,0,0,0|2,0,0]=3 426 B6R0.6 C(CO)NCCO TS04076 [0,0,1,0,0,0|1,0,0]=2 427 B6R0.6 C(CO)NCCO TS37530 [0,0,1,0,0,0|1,0,0]=2 428 B6R0.6 C(CO)NCCO TS76269 [0,0,1,0,0,0|1,0,0]=2 429 B6R0.6 C(COCC=O)O TS31664 [0,0,1,0,0,0|1,0,1]=3 430 B6R0.6 C(COCCCl)O TS36027 [0,0,1,0,0,0|1,0,0]=2 431 B6R0.6 C(COCCN)N TS04047 [0,0,1,0,0,0|2,0,0]=3 432 B6R0.6 C(COCCN)N TS47125 [0,0,1,0,0,0|2,0,0]=3 433 B6R0.6 C(COCCO)N TS04075 [0,0,1,0,0,0|1,0,0]=2 434 B6R0.6 C(COCCO)O TS01431 [0,0,1,0,0,0|1,0,0]=2 435 B6R0.6 C(COCCS)O TS32524 [0,0,1,0,0,0|1,0,0]=2 436 B6R0.6 C(CS)OCCS TS37236 [0,0,1,0,0,0|1,1,0]=3 437 B6R0.6 C(CSCCN)N TS32436 [0,0,1,0,0,0|2,1,0]=4 438 B6R0.6 C(CSCCO)N TS04873 [0,0,1,0,0,0|1,1,0]=3 439 B6R0.6 C(CSCCO)O TS32771 [0,0,1,0,0,0|1,0,0]=2 440 B6R0.6 C(CSCCS)S TS10516 [0,0,1,0,0,0|1,2,0]=4 441 B6R0.6 C=CCCCCBr TS33003 [0,0,1,0,0,0|2,0,1]=4 442 B6R0.6 C=CCCCCCl TS04773 [0,0,1,0,0,0|2,0,1]=4 443 B6R0.6 C=CCCCCN TS03830 [0,0,1,0,0,0|2,0,1]=4 444 B6R0.6 C=CCCCCO TS71562 [0,0,1,0,0,0|1,0,1]=3 445 B6R0.6 C=CCOCCBr TS42844 [0,0,1,0,0,0|1,0,2]=4 446 B6R0.6 C=CCOCCCl TS32452 [0,0,1,0,0,0|1,0,2]=4 447 B6R0.6 C=CCOCCO TS31592 [0,0,1,0,0,0|0,0,2]=3 448 B6R0.6 CC=CCCCO TS31509 [0,0,1,0,0,0|1,0,2]=4 449 B6R0.6 CC=CCCCO TS31521 [0,0,1,0,0,0|1,0,2]=4 450 B6R0.6 CCC=CCCO TS31511 [0,0,1,0,0,0|1,0,1]=3 451 B6R0.6 CCC=CCCO TS31515 [0,0,1,0,0,0|1,0,1]=3 452 B6R0.6 CCCC#CCC TS03730 [0,0,1,0,0,0|2,0,1]=4 453 B6R0.6 CCCC=CCO TS03865 [0,0,1,0,0,0|1,0,1]=3 454 B6R0.6 CCCCCC#C TS03726 [0,0,1,0,0,0|2,0,1]=4 455 B6R0.6 CCCCCC#N TS31405 [0,0,1,0,0,0|2,0,1]=4 456 B6R0.6 CCCCCC=C TS31453 [0,0,1,0,0,0|2,0,1]=4 457 B6R0.6 CCCCCC=O TS39877 [0,0,1,0,0,0|1,0,2]=4 458 B6R0.6 CCCCCCBr TS00036 [0,0,1,0,0,0|2,0,0]=3 459 B6R0.6 CCCCCCC TS03885 [0,0,1,0,0,0|2,0,0]=3 460 B6R0.6 CCCCCCCl TS04842 [0,0,1,0,0,0|2,0,0]=3 461 B6R0.6 CCCCCCF TS31676 [0,0,1,0,0,0|2,0,0]=3 462 B6R0.6 CCCCCCI TS93973 [0,0,1,0,0,0|2,0,0]=3 463 B6R0.6 CCCCCCN TS31561 [0,0,1,0,0,0|2,0,0]=3 464 B6R0.6 CCCCCCN TS37145 [0,0,1,0,0,0|2,0,0]=3 465 B6R0.6 CCCCCCO TS39881 [0,0,1,0,0,0|1,0,0]=2 466 B6R0.6 CCCCCCS TS04753 [0,0,1,0,0,0|1,1,0]=3 467 B6R0.6 CCCCCC[SiH3] TS04643 [0,0,1,0,0,0|2,0,0]=3 468 B6R0.6 CCCCCC[Zn+] TS24970 [0,0,1,0,0,0|2,0,0]=3 469 B6R0.6 CCCCCNC TS03916 [0,0,1,0,0,0|3,0,0]=4 470 B6R0.6 CCCCCNN TS06331 [0,0,1,0,0,0|3,0,0]=4 471 B6R0.6 CCCCCSC TS04750 [0,0,1,0,0,0|3,0,0]=4 472 B6R0.6 CCCCC[Mg]Cl TS36578 [0,0,1,0,0,0|3,0,0]=4 473 B6R0.6 CCCCNCC TS03925 [0,0,1,0,0,0|3,0,0]=4 474 B6R0.6 CCCCOCC TS03964 [0,0,1,0,0,0|3,0,0]=4 475 B6R0.6 CCCCOCCl TS04949 [0,0,1,0,0,0|3,0,0]=4 476 B6R0.6 CCCCSCC TS04749 [0,0,1,0,0,0|3,0,0]=4 477 B6R0.6 CCCNCCC TS39857 [0,0,1,0,0,0|2,0,0]=3 478 B6R0.6 CCCNCCN TS03973 [0,0,1,0,0,0|2,0,0]=3 479 B6R0.6 CCCNCCO TS04001 [0,0,1,0,0,0|1,0,0]=2 480 B6R0.6 CCCOCCC TS03967 [0,0,1,0,0,0|1,0,0]=2 481 B6R0.6 CCCOCCC TS49356 [0,0,1,0,0,0|1,0,0]=2 482 B6R0.6 CCCOCCCl TS04951 [0,0,1,0,0,0|1,0,0]=2 483 B6R0.6 CCCOCCN TS04012 [0,0,1,0,0,0|1,0,0]=2 484 B6R0.6 CCCSCC=C TS04636 [0,0,1,0,0,0|1,1,1]=4 485 B6R0.6 CCCSCCC TS04756 [0,0,1,0,0,0|1,1,0]=3 486 B6R0.6 CCCSCCO TS32433 [0,0,1,0,0,0|0,1,0]=2 487 B6R0.6 CCCSSCC TS37066 [0,0,1,0,0,0|2,1,0]=4 488 B6R0.6 CCC[Hg]CCC TS35002 [0,0,1,0,0,0|2,0,0]=3 489 B6R0.6 CCNCCCN TS03975 [0,0,1,0,0,0|3,0,0]=4 490 B6R0.6 CCOCCCBr TS12340 [0,0,1,0,0,0|3,0,0]=4 491 B6R0.6 CCOCCCCl TS04950 [0,0,1,0,0,0|3,0,0]=4 492 B6R0.6 CCOCCCN TS04010 [0,0,1,0,0,0|3,0,0]=4 493 B6R0.6 CCOCCCO TS04028 [0,0,1,0,0,0|2,0,0]=3 494 B6R0.6 CCSCCCO TS32432 [0,0,1,0,0,0|2,0,0]=3 495 B6R0.6 COCCCCBr TS03145 [0,0,1,0,0,0|3,0,0]=4 496 B6R0.6 COCCCCCl TS39592 [0,0,1,0,0,0|3,0,0]=4 497 B6R0.6 COCCCCO TS07977 [0,0,1,0,0,0|2,0,0]=3 498 B6R0.6 COCOCCBr TS44958 [0,0,1,0,0,0|2,0,0]=3 499 B6R0.6 CSCCCCO TS32429 [0,0,1,0,0,0|2,0,0]=3 500 B6R0.6 [Li]CCCCCC TS03654 [0,0,1,0,0,0|2,0,0]=3 501 B6R0.9 B(CC)(CC)CC TS31417 [0,0,1,0,0,0|3,0,0]=4 502 B6R0.9 B(CC)(CC)OC TS31480 [0,0,1,0,0,0|2,0,0]=3 503 B6R0.9 C(C(CBr)CBr)O TS25153 [0,0,1,0,0,0|3,0,0]=4 504 B6R0.9 CCC(CC)C=C TS03805 [0,0,1,0,0,0|2,0,1]=4 505 B6R0.9 CCC(CC)CBr TS11973 [0,0,1,0,0,0|2,0,0]=3 506 B6R0.9 CCC(CC)CCl TS04847 [0,0,1,0,0,0|2,0,0]=3 507 B6R0.9 CCC(CC)CN TS55314 [0,0,1,0,0,0|2,0,0]=3 508 B6R0.9 CCC(CC)CO TS03962 [0,0,1,0,0,0|1,0,0]=2 509 B6R0.9 CCC(CO)CO TS04037 [0,0,1,0,0,0|2,0,0]=3 510 B6R0.9 CCC(OC)OC TS04030 [0,0,1,0,0,0|2,0,0]=3 511 B6R0.9 CCN(CC)CC TS00288 [0,0,1,0,0,0|3,0,0]=4 512 B6R0.9 CCN(CC)CC TS00289 [0,0,1,0,0,0|3,0,0]=4 513 B6R0.9 CCN(CC)CC TS42336 [0,0,1,0,0,0|3,0,0]=4 514 B6R0.9 CCN(CC)CC TS48183 [0,0,1,0,0,0|3,0,0]=4 515 B6R0.9 CCN(CC)CC TS70162 [0,0,1,0,0,0|3,0,0]=4 516 B6R0.9 CCN(CC)CC TS94058 [0,0,1,0,0,0|3,0,0]=4 517 B6R0.9 CCN(CC)CO TS04009 [0,0,1,0,0,0|2,0,0]=3 518 B6R0.9 CCP(CC)CC TS04731 [0,0,1,0,0,0|3,0,0]=4 519 B6R0.9 CCP(CC)CC TS27543 [0,0,1,0,0,0|3,0,0]=4 520 B6R0.9 CCP(CC)CC TS79051 [0,0,1,0,0,0|3,0,0]=4 521 B6R0.9 CCP(CC)CC TS83252 [0,0,1,0,0,0|3,0,0]=4 522 B6R0.9 CCP(OC)OC TS32484 [0,0,1,0,0,0|3,0,0]=4 523 B6R0.9 CC[Al](CC)CC TS32086 [0,0,1,0,0,0|3,0,0]=4 524 B6R0.9 CC[As](CC)CC TS11491 [0,0,1,0,0,0|3,0,0]=4 525 B6R0.9 CC[Ga](CC)CC TS10805 [0,0,1,0,0,0|3,0,0]=4 526 B6R0.9 CC[GeH](CC)CC TS11342 [0,0,1,0,0,0|2,1,0]=4 527 B6R0.9 CC[In](CC)CC TS19303 [0,0,1,0,0,0|3,0,0]=4 528 B6R0.9 CC[O+](CC)CC TS01629 [0,0,1,0,0,0|3,0,0]=4 529 B6R0.9 CC[O+](CC)CC TS27702 [0,0,1,0,0,0|3,0,0]=4 530 B6R0.9 CC[S+](CC)CC TS20090 [0,0,1,0,0,0|3,0,0]=4 531 B6R0.9 CC[Sb](CC)CC TS43572 [0,0,1,0,0,0|3,0,0]=4 532 B6R0.9 CC[SiH](CC)CC TS00290 [0,0,1,0,0,0|2,1,0]=4 533 B6R0.9 COC(C=C)OC TS31593 [0,0,1,0,0,0|2,0,1]=4 534 B6R0.9 COC(C=O)OC TS31669 [0,0,1,0,0,0|1,0,2]=4 535 B6R0.9 COC(CBr)OC TS00844 [0,0,1,0,0,0|2,0,0]=3 536 B6R0.9 COC(CCl)OC TS36029 [0,0,1,0,0,0|2,0,0]=3 537 B6R0.9 COC(CN)OC TS34632 [0,0,1,0,0,0|2,0,0]=3 538 B6R0.9 COC(CO)C=C TS03957 [0,0,1,0,0,0|0,0,2]=3 539 B6R0.9 COC(OC)OC TS00293 [0,0,1,0,0,0|3,0,0]=4 540 B8R2.11 C1[C@@H]2[C@@H]([C@H]2O)CN1 TS90177 [0,0,0,1,0,0|2,0,0]=3 541 B8R2.22 C1CC2C1CNC2 TS88667 [0,0,0,1,0,0|3,0,0]=4 542 B8R2.34 C1C2CNC1CN2 TS12957 [0,0,0,1,0,0|2,0,0]=3 543 B8R2.34 C1C2CNC1CO2 TS92201 [0,0,0,1,0,0|1,0,0]=2 544 B8R2.34 C1CC2CC1C=C2 TS03681 [0,0,0,1,0,0|2,0,1]=4 545 B8R2.34 C1CC2CC1CN2 TS31404 [0,0,0,1,0,0|2,0,0]=3 546 B8R2.34 C1CC2CCC1N2 TS59525 [0,0,0,1,0,0|2,0,0]=3 547 B8R2.34 C1CC2CCC1N2 TS87984 [0,0,0,1,0,0|2,0,0]=3 548 B8R2.34 C1CC2CCC1O2 TS31431 [0,0,0,1,0,0|1,0,0]=2 549 B8R2.34 C1[C@@H]2CN[C@H]1CO2 TS87907 [0,0,0,1,0,0|1,0,0]=2 550 B8R2.34 C1[C@@H]2CN[C@H]1CO2 TS91801 [0,0,0,1,0,0|1,0,0]=2 551 B8R2.34 C1[C@H]2CN[C@@H]1CO2 TS85934 [0,0,0,1,0,0|1,0,0]=2 552 B8R2.34 C1[C@H]2CN[C@@H]1CO2 TS86231 [0,0,0,1,0,0|1,0,0]=2 553 B8R2.55 C1CC12CCNC2 TS91399 [0,0,0,1,0,0|3,0,0]=4 554 B8R2.55 C1CC2(CC2)NC1 TS92596 [0,0,0,1,0,0|2,0,0]=3 555 B6R1.6 C1C(CN1)C#N TS04769 [0,0,0,0,1,0|2,0,1]=4 556 B6R1.6 C1C(CN1)CO TS91597 [0,0,0,0,1,0|1,0,0]=2 557 B6R1.6 C1C(CO1)CI TS85854 [0,0,0,0,1,0|2,0,0]=3 558 B6R1.6 C1C(CO1)CN TS89704 [0,0,0,0,1,0|2,0,0]=3 559 B6R1.6 C1C(CO1)CO TS90138 [0,0,0,0,1,0|1,0,0]=2 560 B6R1.6 C1C(CS1)CN TS87824 [0,0,0,0,1,0|2,0,0]=3 561 B6R1.6 C1CC(C1)C#N TS03443 [0,0,0,0,1,0|1,0,1]=3 562 B6R1.6 C1CC(C1)C=O TS03489 [0,0,0,0,1,0|0,0,2]=3 563 B6R1.6 C1CC(C1)CBr TS07532 [0,0,0,0,1,0|1,0,0]=2 564 B6R1.6 C1CC(C1)CN TS89840 [0,0,0,0,1,0|1,0,0]=2 565 B6R1.6 C1CC(C1)CO TS71752 [0,0,0,0,1,0|0,0,0]=1 566 B6R1.6 C1CC(C1)NN TS01400 [0,0,0,0,1,0|2,0,0]=3 567 B6R1.6 C1CC(C1)NN TS03544 [0,0,0,0,1,0|2,0,0]=3 568 B6R1.6 C1CNC1CN TS01756 [0,0,0,0,1,0|2,0,0]=3 569 B6R1.6 C1CNC1CO TS88277 [0,0,0,0,1,0|1,0,0]=2 570 B6R1.6 C1CN[C@H]1CO TS86313 [0,0,0,0,1,0|1,0,0]=2 571 B6R1.6 C1COC1CBr TS40968 [0,0,0,0,1,0|1,0,0]=2 572 B6R1.6 C1COC1CI TS91254 [0,0,0,0,1,0|1,0,0]=2 573 B6R1.6 C1COC1CN TS86216 [0,0,0,0,1,0|1,0,0]=2 574 B6R1.6 C1COC1CO TS88229 [0,0,0,0,1,0|0,0,0]=1 575 B6R1.6 CCC1CCC1 TS71715 [0,0,0,0,1,0|1,0,0]=2 576 B6R1.6 CNC1CNC1 TS03543 [0,0,0,0,1,0|3,0,0]=4 577 B6R1.6 CNC1COC1 TS89249 [0,0,0,0,1,0|3,0,0]=4 578 B6R1.6 COC1CNC1 TS02818 [0,0,0,0,1,0|3,0,0]=4 579 B6R1.6 COC1CSC1 TS31679 [0,0,0,0,1,0|3,0,0]=4 580 B8R1.2 C#CC1CCCNC1 TS89660 [0,0,0,0,0,1|2,0,1]=4 581 B8R1.2 C#CC1CCCOC1 TS85837 [0,0,0,0,0,1|1,0,1]=3 582 B8R1.2 C#CC1CCNCC1 TS87859 [0,0,0,0,0,1|2,0,1]=4 583 B8R1.2 C#CC1CCOCC1 TS89052 [0,0,0,0,0,1|2,0,1]=4 584 B8R1.2 C#CC1CCSCC1 TS92849 [0,0,0,0,0,1|2,0,1]=4 585 B8R1.2 C1CC(=COC1)C=O TS31909 [0,0,0,0,0,1|0,0,3]=4 586 B8R1.2 C1CC(CC=C1)CO TS31925 [0,0,0,0,0,1|1,0,1]=3 587 B8R1.2 C1CC(CC=C1)CO TS93417 [0,0,0,0,0,1|1,0,1]=3 588 B8R1.2 C1CC(CNC1)C#N TS00184 [0,0,0,0,0,1|2,0,1]=4 589 B8R1.2 C1CC(CNC1)C#N TS07292 [0,0,0,0,0,1|2,0,1]=4 590 B8R1.2 C1CC(CNC1)CO TS88392 [0,0,0,0,0,1|1,0,0]=2 591 B8R1.2 C1CC(COC1)C=O TS16821 [0,0,0,0,0,1|0,0,2]=3 592 B8R1.2 C1CC(COC1)CBr TS86643 [0,0,0,0,0,1|1,0,0]=2 593 B8R1.2 C1CC(COC1)CN TS46681 [0,0,0,0,0,1|1,0,0]=2 594 B8R1.2 C1CC(COC1)CO TS86137 [0,0,0,0,0,1|0,0,0]=1 595 B8R1.2 C1CC(OC=C1)C=O TS89129 [0,0,0,0,0,1|0,0,3]=4 596 B8R1.2 C1CC(OC=C1)CO TS04428 [0,0,0,0,0,1|0,0,1]=2 597 B8R1.2 C1CCC(=CC1)CBr TS90142 [0,0,0,0,0,1|2,0,1]=4 598 B8R1.2 C1CCC(=NO)CC1 TS04394 [0,0,0,0,0,1|2,0,1]=4 599 B8R1.2 C1CCC(CC1)C#N TS31808 [0,0,0,0,0,1|2,0,1]=4 600 B8R1.2 C1CCC(CC1)C#N TS40668 [0,0,0,0,0,1|2,0,1]=4 601 B8R1.2 C1CCC(CC1)C=O TS01404 [0,0,0,0,0,1|1,0,2]=4 602 B8R1.2 C1CCC(CC1)CBr TS46572 [0,0,0,0,0,1|2,0,0]=3 603 B8R1.2 C1CCC(CC1)CCl TS36740 [0,0,0,0,0,1|2,0,0]=3 604 B8R1.2 C1CCC(CC1)CN TS04402 [0,0,0,0,0,1|2,0,0]=3 605 B8R1.2 C1CCC(CC1)CO TS04473 [0,0,0,0,0,1|1,0,0]=2 606 B8R1.2 C1CCC(CC1)CS TS05617 [0,0,0,0,0,1|1,1,0]=3 607 B8R1.2 C1CCC(CC1)NO TS10098 [0,0,0,0,0,1|2,0,0]=3 608 B8R1.2 C1CCC(CC1)[Mg]Br TS50598 [0,0,0,0,0,1|3,0,0]=4 609 B8R1.2 C1CCC(CC1)[Mg]Cl TS06810 [0,0,0,0,0,1|3,0,0]=4 610 B8R1.2 C1CCN(CC1)CCl TS05849 [0,0,0,0,0,1|3,0,0]=4 611 B8R1.2 C1CCN(CC1)CO TS32161 [0,0,0,0,0,1|2,0,0]=3 612 B8R1.2 C1CCNC(C1)C#N TS85344 [0,0,0,0,0,1|2,0,1]=4 613 B8R1.2 C1CCNC(C1)C=O TS04396 [0,0,0,0,0,1|1,0,2]=4 614 B8R1.2 C1CCNC(C1)CN TS02462 [0,0,0,0,0,1|2,0,0]=3 615 B8R1.2 C1CCNC(C1)CO TS02460 [0,0,0,0,0,1|1,0,0]=2 616 B8R1.2 C1CCOC(C1)CCl TS05953 [0,0,0,0,0,1|1,0,0]=2 617 B8R1.2 C1CCOC(C1)CN TS59436 [0,0,0,0,0,1|1,0,0]=2 618 B8R1.2 C1CCOC(C1)CN TS59437 [0,0,0,0,0,1|1,0,0]=2 619 B8R1.2 C1CCOC(C1)CO TS59577 [0,0,0,0,0,1|0,0,0]=1 620 B8R1.2 C1CCOC(C1)ON TS59328 [0,0,0,0,0,1|2,0,0]=3 621 B8R1.2 C1CN(CCN1)CO TS04601 [0,0,0,0,0,1|2,0,0]=3 622 B8R1.2 C1CNC(CN1)C#N TS59351 [0,0,0,0,0,1|2,0,1]=4 623 B8R1.2 C1CNCCC1C#N TS03067 [0,0,0,0,0,1|2,0,1]=4 624 B8R1.2 C1CNCCC1C#N TS07290 [0,0,0,0,0,1|2,0,1]=4 625 B8R1.2 C1CNCCC1C=O TS59355 [0,0,0,0,0,1|1,0,2]=4 626 B8R1.2 C1CNCCC1CF TS86720 [0,0,0,0,0,1|2,0,0]=3 627 B8R1.2 C1CNCCC1CN TS16890 [0,0,0,0,0,1|2,0,0]=3 628 B8R1.2 C1CNCCC1CO TS85529 [0,0,0,0,0,1|1,0,0]=2 629 B8R1.2 C1CN[C@@H](CN1)CO TS50857 [0,0,0,0,0,1|1,0,0]=2 630 B8R1.2 C1COC(CN1)C#N TS59804 [0,0,0,0,0,1|1,0,1]=3 631 B8R1.2 C1COC(CN1)CN TS86947 [0,0,0,0,0,1|1,0,0]=2 632 B8R1.2 C1COC(CN1)CO TS55399 [0,0,0,0,0,1|0,0,0]=1 633 B8R1.2 C1COC(CO1)CI TS52574 [0,0,0,0,0,1|1,0,0]=2 634 B8R1.2 C1COC(CO1)CN TS08685 [0,0,0,0,0,1|1,0,0]=2 635 B8R1.2 C1COCC(N1)CO TS02790 [0,0,0,0,0,1|1,0,0]=2 636 B8R1.2 C1COCC(N1)CO TS41317 [0,0,0,0,0,1|1,0,0]=2 637 B8R1.2 C1COCCC1C#N TS16666 [0,0,0,0,0,1|2,0,1]=4 638 B8R1.2 C1COCCC1C=O TS59439 [0,0,0,0,0,1|1,0,2]=4 639 B8R1.2 C1COCCC1CBr TS16902 [0,0,0,0,0,1|2,0,0]=3 640 B8R1.2 C1COCCC1CI TS24100 [0,0,0,0,0,1|2,0,0]=3 641 B8R1.2 C1COCCC1CN TS03003 [0,0,0,0,0,1|2,0,0]=3 642 B8R1.2 C1COCCC1CN TS07685 [0,0,0,0,0,1|2,0,0]=3 643 B8R1.2 C1COCCC1CO TS59440 [0,0,0,0,0,1|1,0,0]=2 644 B8R1.2 C1COCCC1NN TS41226 [0,0,0,0,0,1|3,0,0]=4 645 B8R1.2 C1COCCC1NN TS87156 [0,0,0,0,0,1|3,0,0]=4 646 B8R1.2 C1COCCN1CCl TS06024 [0,0,0,0,0,1|3,0,0]=4 647 B8R1.2 C1COCCN1CI TS24306 [0,0,0,0,0,1|3,0,0]=4 648 B8R1.2 C1COC[C@@H](N1)CO TS41310 [0,0,0,0,0,1|1,0,0]=2 649 B8R1.2 C1COC[C@H](N1)CO TS32280 [0,0,0,0,0,1|1,0,0]=2 650 B8R1.2 C1CO[C@@H](CN1)CO TS32281 [0,0,0,0,0,1|0,0,0]=1 651 B8R1.2 C1CO[C@H](CN1)CO TS46590 [0,0,0,0,0,1|0,0,0]=1 652 B8R1.2 C1CSC(CS1)C#N TS40348 [0,0,0,0,0,1|1,1,1]=4 653 B8R1.2 C1CSCCC1C#N TS90376 [0,0,0,0,0,1|2,0,1]=4 654 B8R1.2 C1CSCCC1CN TS91963 [0,0,0,0,0,1|2,0,0]=3 655 B8R1.2 C1CSCCC1CO TS90016 [0,0,0,0,0,1|1,0,0]=2 656 B8R1.2 C1C[C@@H](CNC1)C#N TS92391 [0,0,0,0,0,1|2,0,1]=4 657 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [0,0,0,0,0,1|1,0,0]=2 658 B8R1.2 C1C[C@H](CNC1)C#N TS92378 [0,0,0,0,0,1|2,0,1]=4 659 B8R1.2 C1C[C@H](CNC1)CO TS46591 [0,0,0,0,0,1|1,0,0]=2 660 B8R1.2 CCC1=CCCCC1 TS31842 [0,0,0,0,0,1|2,0,1]=4 661 B8R1.2 CCC1CCCCC1 TS04342 [0,0,0,0,0,1|2,0,0]=3 662 B8R1.2 CCC1CCCCN1 TS04398 [0,0,0,0,0,1|2,0,0]=3 663 B8R1.2 CCC1CNCCN1 TS55315 [0,0,0,0,0,1|2,0,0]=3 664 B8R1.2 CCN1CCCCC1 TS00439 [0,0,0,0,0,1|3,0,0]=4 665 B8R1.2 CCN1CCCCC1 TS32031 [0,0,0,0,0,1|3,0,0]=4 666 B8R1.2 CCN1CCNCC1 TS04487 [0,0,0,0,0,1|3,0,0]=4 667 B8R1.2 CCN1CCOCC1 TS32166 [0,0,0,0,0,1|3,0,0]=4 668 B8R1.2 CC[C@@H]1CNCCN1 TS04491 [0,0,0,0,0,1|2,0,0]=3 669 B8R1.2 CC[C@@H]1CNCCN1 TS49029 [0,0,0,0,0,1|2,0,0]=3 670 B8R1.2 CNC1CCC=CO1 TS32011 [0,0,0,0,0,1|2,0,1]=4 671 B8R1.2 CNC1CCCCC1 TS08095 [0,0,0,0,0,1|3,0,0]=4 672 B8R1.2 CNC1CCCNC1 TS77173 [0,0,0,0,0,1|3,0,0]=4 673 B8R1.2 CNC1CCOCC1 TS01608 [0,0,0,0,0,1|3,0,0]=4 674 B8R1.2 CNC1CCOCC1 TS41077 [0,0,0,0,0,1|3,0,0]=4 675 B8R1.2 COC1CCC=CO1 TS04445 [0,0,0,0,0,1|2,0,1]=4 676 B8R1.2 COC1CCCC=C1 TS31935 [0,0,0,0,0,1|3,0,0]=4 677 B8R1.2 COC1CCCCC1 TS32092 [0,0,0,0,0,1|3,0,0]=4 678 B8R1.2 COC1CCCNC1 TS86602 [0,0,0,0,0,1|3,0,0]=4 679 B8R1.2 COC1CCNCC1 TS03162 [0,0,0,0,0,1|3,0,0]=4 680 B8R1.2 COC1CCNCC1 TS10095 [0,0,0,0,0,1|3,0,0]=4 681 B8R1.2 CO[C@@H]1CCCNC1 TS90956 [0,0,0,0,0,1|3,0,0]=4 682 B8R1.2 CO[C@@H]1CCCNC1 TS90967 [0,0,0,0,0,1|3,0,0]=4 683 B8R1.2 CO[C@H]1CCCNC1 TS86418 [0,0,0,0,0,1|3,0,0]=4 684 B8R1.2 CO[C@H]1CCCNC1 TS90968 [0,0,0,0,0,1|3,0,0]=4 685 B8R1.2 CSC1CCCCC1 TS05616 [0,0,0,0,0,1|3,0,0]=4 686 B8R1.2 CSC1CCNCC1 TS88660 [0,0,0,0,0,1|3,0,0]=4 687 B8R1.2 [C-]#[N+]C1CCCCC1 TS34562 [0,0,0,0,0,1|3,0,0]=4 688 B5R0.1 B(CCC)(O)O TS59317 [1,0,1,0,0,0|1,0,0]=3 689 B5R0.1 CC#CC(C)C TS71688 [1,0,1,0,0,0|1,0,1]=4 690 B5R0.1 CC#C[C@H](C)O TS03495 [1,0,1,0,0,0|0,0,2]=4 691 B5R0.1 CC(C)CCBr TS09985 [1,0,1,0,0,0|2,0,0]=4 692 B5R0.1 CC(C)CCCl TS31743 [1,0,1,0,0,0|2,0,0]=4 693 B5R0.1 CC(C)CCI TS18548 [1,0,1,0,0,0|2,0,0]=4 694 B5R0.1 CC(C)CCN TS71773 [1,0,1,0,0,0|2,0,0]=4 695 B5R0.1 CC(C)CCO TS71804 [1,0,1,0,0,0|2,0,0]=4 696 B5R0.1 CC(C)CCS TS31696 [1,0,1,0,0,0|2,0,0]=4 697 B5R0.1 CC(C)CC[Zn+] TS49167 [1,0,1,0,0,0|2,0,0]=4 698 B5R0.1 CC(C)CNC TS01600 [1,0,1,0,0,0|2,0,0]=4 699 B5R0.1 CC(C)CSC TS31693 [1,0,1,0,0,0|2,0,0]=4 700 B5R0.1 CC(C)OC=C TS03534 [1,0,1,0,0,0|0,0,2]=4 701 B5R0.1 CC(C)OC=O TS03580 [1,0,1,0,0,0|1,0,1]=4 702 B5R0.1 CC(C)OCCl TS04160 [1,0,1,0,0,0|1,0,0]=3 703 B5R0.1 CC(C)ON=O TS71823 [1,0,1,0,0,0|2,0,0]=4 704 B5R0.1 CC(CC#C)O TS03487 [1,0,1,0,0,0|0,0,2]=4 705 B5R0.1 CC(CC=C)O TS71743 [1,0,1,0,0,0|0,0,2]=4 706 B5R0.1 CC(CC=O)O TS03574 [1,0,1,0,0,0|1,0,1]=4 707 B5R0.1 CC(CCBr)Br TS21967 [1,0,1,0,0,0|2,0,0]=4 708 B5R0.1 CC(CCN)O TS02231 [1,0,1,0,0,0|1,0,0]=3 709 B5R0.1 CC(CCO)N TS60329 [1,0,1,0,0,0|2,0,0]=4 710 B5R0.1 CC(CCO)O TS71832 [1,0,1,0,0,0|1,0,0]=3 711 B5R0.1 CC(CCS)S TS04931 [1,0,1,0,0,0|1,1,0]=4 712 B5R0.1 CC(COC)N TS03608 [1,0,1,0,0,0|2,0,0]=4 713 B5R0.1 CC(COC)O TS71841 [1,0,1,0,0,0|1,0,0]=3 714 B5R0.1 CC=CC(C)C TS71719 [1,0,1,0,0,0|1,0,1]=4 715 B5R0.1 CC=CC(C)O TS71747 [1,0,1,0,0,0|0,0,2]=4 716 B5R0.1 CCC=C(C)C TS71718 [1,0,1,0,0,0|1,0,1]=4 717 B5R0.1 CCCC(=C)C TS71722 [1,0,1,0,0,0|1,0,1]=4 718 B5R0.1 CCCC(=O)C TS71754 [1,0,1,0,0,0|0,0,2]=4 719 B5R0.1 CCCC(=O)O TS03572 [1,0,1,0,0,0|0,0,2]=4 720 B5R0.1 CCCC(=O)O TS63934 [1,0,1,0,0,0|0,0,2]=4 721 B5R0.1 CCCC(=S)O TS04825 [1,0,1,0,0,0|0,1,1]=4 722 B5R0.1 CCCC(C)Br TS09989 [1,0,1,0,0,0|1,0,0]=3 723 B5R0.1 CCCC(C)Cl TS31741 [1,0,1,0,0,0|1,0,0]=3 724 B5R0.1 CCCC(C)I TS18550 [1,0,1,0,0,0|1,0,0]=3 725 B5R0.1 CCCC(C)O TS03596 [1,0,1,0,0,0|0,0,0]=2 726 B5R0.1 CCCC(C)S TS31692 [1,0,1,0,0,0|0,1,0]=3 727 B5R0.1 CCCC(C)[Zn+] TS49166 [1,0,1,0,0,0|1,0,0]=3 728 B5R0.1 CCCC(Cl)Cl TS36206 [1,0,1,0,0,0|2,0,0]=4 729 B5R0.1 CCCN(C)C TS71775 [1,0,1,0,0,0|2,0,0]=4 730 B5R0.1 CCC[C@@H](C)O TS71801 [1,0,1,0,0,0|0,0,0]=2 731 B5R0.1 CCC[C@H](C)O TS71800 [1,0,1,0,0,0|0,0,0]=2 732 B5R0.1 CCNC(C)C TS71777 [1,0,1,0,0,0|1,0,0]=3 733 B5R0.1 CCOC(=C)C TS71753 [1,0,1,0,0,0|0,0,2]=4 734 B5R0.1 CCOC(=O)C TS03585 [1,0,1,0,0,0|0,0,2]=4 735 B5R0.1 CCOC(=O)C TS03625 [1,0,1,0,0,0|0,0,2]=4 736 B5R0.1 CCOC(=O)C TS71827 [1,0,1,0,0,0|0,0,2]=4 737 B5R0.1 CCOC(=S)C TS31684 [1,0,1,0,0,0|0,1,1]=4 738 B5R0.1 CCOC(C)C TS03595 [1,0,1,0,0,0|0,0,0]=2 739 B5R0.1 CCOC(C)Cl TS04164 [1,0,1,0,0,0|1,0,0]=3 740 B5R0.1 CCO[SiH](C)C TS04048 [1,0,1,0,0,0|0,1,0]=3 741 B5R0.1 CCSC(C)C TS31689 [1,0,1,0,0,0|0,1,0]=3 742 B5R0.1 C[C@@H](CC#N)O TS71734 [1,0,1,0,0,0|1,0,1]=4 743 B5R0.1 C[C@@H](CCO)O TS71843 [1,0,1,0,0,0|1,0,0]=3 744 B5R0.1 C[C@@H](COC)N TS03602 [1,0,1,0,0,0|2,0,0]=4 745 B5R0.1 C[C@@H](COC)O TS71834 [1,0,1,0,0,0|1,0,0]=3 746 B5R0.1 C[C@H](CC#N)O TS03507 [1,0,1,0,0,0|1,0,1]=4 747 B5R0.1 C[C@H](CC=C)O TS03535 [1,0,1,0,0,0|0,0,2]=4 748 B5R0.1 C[C@H](CCO)N TS93947 [1,0,1,0,0,0|2,0,0]=4 749 B5R0.1 C[C@H](CCO)O TS71835 [1,0,1,0,0,0|1,0,0]=3 750 B5R0.1 C[C@H](COC)O TS00301 [1,0,1,0,0,0|1,0,0]=3 751 B5R0.2 C#CCCCO TS71278 [1,0,1,0,0,0|0,0,2]=4 752 B5R0.2 C(C#CCO)O TS03533 [1,0,1,0,0,0|0,0,2]=4 753 B5R0.2 C(C=CCO)O TS33234 [1,0,1,0,0,0|0,0,2]=4 754 B5R0.2 C(CBr)OCCl TS45688 [1,0,1,0,0,0|2,0,0]=4 755 B5R0.2 C(CCBr)CBr TS07886 [1,0,1,0,0,0|2,0,0]=4 756 B5R0.2 C(CCBr)CCl TS45376 [1,0,1,0,0,0|2,0,0]=4 757 B5R0.2 C(CCBr)CF TS10539 [1,0,1,0,0,0|2,0,0]=4 758 B5R0.2 C(CCBr)CO TS39737 [1,0,1,0,0,0|1,0,0]=3 759 B5R0.2 C(CCCl)CCl TS36204 [1,0,1,0,0,0|2,0,0]=4 760 B5R0.2 C(CCCl)CO TS33155 [1,0,1,0,0,0|1,0,0]=3 761 B5R0.2 C(CCF)CF TS03666 [1,0,1,0,0,0|2,0,0]=4 762 B5R0.2 C(CCF)CO TS03655 [1,0,1,0,0,0|1,0,0]=3 763 B5R0.2 C(CCI)CCl TS49510 [1,0,1,0,0,0|2,0,0]=4 764 B5R0.2 C(CCI)CI TS76368 [1,0,1,0,0,0|2,0,0]=4 765 B5R0.2 C(CCO)CN TS03609 [1,0,1,0,0,0|1,0,0]=3 766 B5R0.2 C(CCO)CO TS00383 [1,0,1,0,0,0|0,0,0]=2 767 B5R0.2 C(CCS)CO TS04107 [1,0,1,0,0,0|0,1,0]=3 768 B5R0.2 C(CCS)CS TS04933 [1,0,1,0,0,0|0,2,0]=4 769 B5R0.2 C(CC[Zn+])CCl TS25983 [1,0,1,0,0,0|2,0,0]=4 770 B5R0.2 C(CCl)OCCl TS36384 [1,0,1,0,0,0|2,0,0]=4 771 B5R0.2 C(CO)NCO TS03642 [1,0,1,0,0,0|1,0,0]=3 772 B5R0.2 C=CCCCO TS33172 [1,0,1,0,0,0|0,0,2]=4 773 B5R0.2 C=COCCO TS03575 [1,0,1,0,0,0|0,0,2]=4 774 B5R0.2 CC=CCCO TS71749 [1,0,1,0,0,0|0,0,2]=4 775 B5R0.2 CCC#CCC TS71689 [1,0,1,0,0,0|1,0,1]=4 776 B5R0.2 CCC#CCO TS65626 [1,0,1,0,0,0|0,0,2]=4 777 B5R0.2 CCCC#CC TS71682 [1,0,1,0,0,0|1,0,1]=4 778 B5R0.2 CCCC=NO TS03560 [1,0,1,0,0,0|1,0,1]=4 779 B5R0.2 CCCCC#C TS71687 [1,0,1,0,0,0|1,0,1]=4 780 B5R0.2 CCCCC#N TS71704 [1,0,1,0,0,0|1,0,1]=4 781 B5R0.2 CCCCC=C TS71713 [1,0,1,0,0,0|1,0,1]=4 782 B5R0.2 CCCCC=O TS71764 [1,0,1,0,0,0|0,0,2]=4 783 B5R0.2 CCCCCBr TS00039 [1,0,1,0,0,0|1,0,0]=3 784 B5R0.2 CCCCCCl TS31742 [1,0,1,0,0,0|1,0,0]=3 785 B5R0.2 CCCCCF TS71848 [1,0,1,0,0,0|1,0,0]=3 786 B5R0.2 CCCCCI TS18547 [1,0,1,0,0,0|1,0,0]=3 787 B5R0.2 CCCCCN TS71782 [1,0,1,0,0,0|1,0,0]=3 788 B5R0.2 CCCCCO TS46186 [1,0,1,0,0,0|0,0,0]=2 789 B5R0.2 CCCCCO TS71798 [1,0,1,0,0,0|0,0,0]=2 790 B5R0.2 CCCCCS TS31699 [1,0,1,0,0,0|0,1,0]=3 791 B5R0.2 CCCCC[Si] TS03986 [1,0,1,0,0,0|1,0,0]=3 792 B5R0.2 CCCCC[Zn+] TS49168 [1,0,1,0,0,0|1,0,0]=3 793 B5R0.2 CCCCNC TS71774 [1,0,1,0,0,0|2,0,0]=4 794 B5R0.2 CCCCNN TS14187 [1,0,1,0,0,0|2,0,0]=4 795 B5R0.2 CCCCNN TS36035 [1,0,1,0,0,0|2,0,0]=4 796 B5R0.2 CCCCON TS36085 [1,0,1,0,0,0|2,0,0]=4 797 B5R0.2 CCCCON TS93805 [1,0,1,0,0,0|2,0,0]=4 798 B5R0.2 CCCCSC TS31691 [1,0,1,0,0,0|2,0,0]=4 799 B5R0.2 CCCC[Mg]Br TS11455 [1,0,1,0,0,0|2,0,0]=4 800 B5R0.2 CCCC[Mg]Cl TS32260 [1,0,1,0,0,0|2,0,0]=4 801 B5R0.2 CCCC[N+]#[C-] TS71702 [1,0,1,0,0,0|2,0,0]=4 802 B5R0.2 CCCC[Sn]=O TS17583 [1,0,1,0,0,0|1,0,1]=4 803 B5R0.2 CCCNCC TS71783 [1,0,1,0,0,0|1,0,0]=3 804 B5R0.2 CCCOC=C TS29507 [1,0,1,0,0,0|0,0,2]=4 805 B5R0.2 CCCOC=O TS03584 [1,0,1,0,0,0|0,0,2]=4 806 B5R0.2 CCCOCC TS71799 [1,0,1,0,0,0|0,0,0]=2 807 B5R0.2 CCCOCCl TS04165 [1,0,1,0,0,0|1,0,0]=3 808 B5R0.2 CCCON=O TS71824 [1,0,1,0,0,0|1,0,1]=4 809 B5R0.2 CCCSCC TS31700 [1,0,1,0,0,0|0,1,0]=3 810 B5R0.2 CCCSSC TS04934 [1,0,1,0,0,0|1,1,0]=4 811 B5R0.2 CCN=NCC TS03539 [1,0,1,0,0,0|2,0,0]=4 812 B5R0.2 CCNCCN TS71809 [1,0,1,0,0,0|2,0,0]=4 813 B5R0.2 CCNCCO TS00085 [1,0,1,0,0,0|1,0,0]=3 814 B5R0.2 CCNNCC TS11360 [1,0,1,0,0,0|2,0,0]=4 815 B5R0.2 CCNNCC TS71806 [1,0,1,0,0,0|2,0,0]=4 816 B5R0.2 CCOC=CC TS71751 [1,0,1,0,0,0|0,0,2]=4 817 B5R0.2 CCOCC=C TS71744 [1,0,1,0,0,0|0,0,2]=4 818 B5R0.2 CCOCCBr TS10269 [1,0,1,0,0,0|1,0,0]=3 819 B5R0.2 CCOCCCl TS04162 [1,0,1,0,0,0|1,0,0]=3 820 B5R0.2 CCOCCO TS71837 [1,0,1,0,0,0|0,0,0]=2 821 B5R0.2 CCSCCBr TS44968 [1,0,1,0,0,0|1,1,0]=4 822 B5R0.2 CCSCCCl TS36036 [1,0,1,0,0,0|1,1,0]=4 823 B5R0.2 CCSCCN TS31712 [1,0,1,0,0,0|1,1,0]=4 824 B5R0.2 CCSCCN TS37539 [1,0,1,0,0,0|1,1,0]=4 825 B5R0.2 CCSCCO TS59769 [1,0,1,0,0,0|0,1,0]=3 826 B5R0.2 CCSSCC TS59782 [1,0,1,0,0,0|1,1,0]=4 827 B5R0.2 CC[Se][Se]CC TS44786 [1,0,1,0,0,0|1,1,0]=4 828 B5R0.2 CNCCCCl TS40140 [1,0,1,0,0,0|2,0,0]=4 829 B5R0.2 CNCCCN TS71808 [1,0,1,0,0,0|2,0,0]=4 830 B5R0.2 COCCCBr TS10272 [1,0,1,0,0,0|2,0,0]=4 831 B5R0.2 COCCCCl TS04163 [1,0,1,0,0,0|2,0,0]=4 832 B5R0.2 COCCCN TS03603 [1,0,1,0,0,0|2,0,0]=4 833 B5R0.2 COCCCO TS70643 [1,0,1,0,0,0|1,0,0]=3 834 B5R0.2 CSCCCN TS65714 [1,0,1,0,0,0|2,0,0]=4 835 B5R0.2 CSCCCO TS04105 [1,0,1,0,0,0|1,0,0]=3 836 B5R0.3 C(C(C=O)O)O TS47844 [1,0,1,0,0,0|1,0,1]=4 837 B5R0.3 C(C(CBr)Br)O TS22312 [1,0,1,0,0,0|2,0,0]=4 838 B5R0.3 C(C(CBr)O)Br TS22311 [1,0,1,0,0,0|2,0,0]=4 839 B5R0.3 C(C(CBr)O)F TS10809 [1,0,1,0,0,0|2,0,0]=4 840 B5R0.3 C(C(CBr)O)O TS10534 [1,0,1,0,0,0|1,0,0]=3 841 B5R0.3 C(C(CCl)Cl)O TS36383 [1,0,1,0,0,0|2,0,0]=4 842 B5R0.3 C(C(CCl)O)Cl TS07880 [1,0,1,0,0,0|2,0,0]=4 843 B5R0.3 C(C(CCl)O)F TS31988 [1,0,1,0,0,0|2,0,0]=4 844 B5R0.3 C(C(CCl)O)O TS08669 [1,0,1,0,0,0|1,0,0]=3 845 B5R0.3 C(C(CF)O)F TS03710 [1,0,1,0,0,0|2,0,0]=4 846 B5R0.3 C(C(CN)O)N TS46792 [1,0,1,0,0,0|2,0,0]=4 847 B5R0.3 C(C(CO)N)O TS65262 [1,0,1,0,0,0|2,0,0]=4 848 B5R0.3 C(C(CO)N)O TS65263 [1,0,1,0,0,0|2,0,0]=4 849 B5R0.3 C(C(CO)N)O TS74211 [1,0,1,0,0,0|2,0,0]=4 850 B5R0.3 C(C(CO)O)N TS39698 [1,0,1,0,0,0|1,0,0]=3 851 B5R0.3 C(C(CO)O)O TS03653 [1,0,1,0,0,0|1,0,0]=3 852 B5R0.3 C(C(CO)O)O TS64624 [1,0,1,0,0,0|1,0,0]=3 853 B5R0.3 C(C(CO)O)O TS93602 [1,0,1,0,0,0|1,0,0]=3 854 B5R0.3 C(C(CS)O)O TS31781 [1,0,1,0,0,0|1,0,0]=3 855 B5R0.3 C(C(CS)S)O TS47162 [1,0,1,0,0,0|1,1,0]=4 856 B5R0.3 C([C@@H](C=O)O)O TS03618 [1,0,1,0,0,0|1,0,1]=4 857 B5R0.3 C([C@@H](C=O)O)O TS08118 [1,0,1,0,0,0|1,0,1]=4 858 B5R0.3 C([C@@H](CBr)O)O TS10532 [1,0,1,0,0,0|1,0,0]=3 859 B5R0.3 C([C@@H](CCl)O)N TS93716 [1,0,1,0,0,0|2,0,0]=4 860 B5R0.3 C([C@@H](CCl)O)O TS59492 [1,0,1,0,0,0|1,0,0]=3 861 B5R0.3 C([C@@H](CO)O)N TS05290 [1,0,1,0,0,0|1,0,0]=3 862 B5R0.3 C([C@@H](CO)O)N TS08134 [1,0,1,0,0,0|1,0,0]=3 863 B5R0.3 C([C@H](C=O)O)O TS07853 [1,0,1,0,0,0|1,0,1]=4 864 B5R0.3 C([C@H](CBr)O)O TS10533 [1,0,1,0,0,0|1,0,0]=3 865 B5R0.3 C([C@H](CO)O)N TS08079 [1,0,1,0,0,0|1,0,0]=3 866 B5R0.3 C=CC(CO)O TS03577 [1,0,1,0,0,0|0,0,2]=4 867 B5R0.3 C=C[C@@H](CO)O TS03582 [1,0,1,0,0,0|0,0,2]=4 868 B5R0.3 C=C[C@H](CO)O TS03583 [1,0,1,0,0,0|0,0,2]=4 869 B5R0.3 CC(CCl)CBr TS00026 [1,0,1,0,0,0|2,0,0]=4 870 B5R0.3 CC(CO)C=C TS71745 [1,0,1,0,0,0|0,0,2]=4 871 B5R0.3 CC(CO)CO TS71833 [1,0,1,0,0,0|1,0,0]=3 872 B5R0.3 CC(OC)OC TS71840 [1,0,1,0,0,0|1,0,0]=3 873 B5R0.3 CC([Se]C)[Se]C TS44785 [1,0,1,0,0,0|1,1,0]=4 874 B5R0.3 CCC(=NO)C TS03558 [1,0,1,0,0,0|1,0,1]=4 875 B5R0.3 CCC(=O)CO TS05538 [1,0,1,0,0,0|0,0,2]=4 876 B5R0.3 CCC(=O)OC TS03587 [1,0,1,0,0,0|0,0,2]=4 877 B5R0.3 CCC(=S)OC TS31680 [1,0,1,0,0,0|0,1,1]=4 878 B5R0.3 CCC(C#C)O TS03494 [1,0,1,0,0,0|1,0,1]=4 879 B5R0.3 CCC(C#N)O TS03503 [1,0,1,0,0,0|1,0,1]=4 880 B5R0.3 CCC(C)C#C TS03468 [1,0,1,0,0,0|1,0,1]=4 881 B5R0.3 CCC(C)C=O TS03536 [1,0,1,0,0,0|0,0,2]=4 882 B5R0.3 CCC(C)CBr TS09987 [1,0,1,0,0,0|1,0,0]=3 883 B5R0.3 CCC(C)CC TS03546 [1,0,1,0,0,0|1,0,0]=3 884 B5R0.3 CCC(C)CCl TS31746 [1,0,1,0,0,0|1,0,0]=3 885 B5R0.3 CCC(C)CI TS18546 [1,0,1,0,0,0|1,0,0]=3 886 B5R0.3 CCC(C)CN TS71788 [1,0,1,0,0,0|1,0,0]=3 887 B5R0.3 CCC(C)CO TS03593 [1,0,1,0,0,0|0,0,0]=2 888 B5R0.3 CCC(C)CS TS31698 [1,0,1,0,0,0|0,1,0]=3 889 B5R0.3 CCC(C)NC TS04995 [1,0,1,0,0,0|1,0,0]=3 890 B5R0.3 CCC(C)NC TS71785 [1,0,1,0,0,0|1,0,0]=3 891 B5R0.3 CCC(C)OC TS71803 [1,0,1,0,0,0|0,0,0]=2 892 B5R0.3 CCC(C)ON TS36089 [1,0,1,0,0,0|1,0,0]=3 893 B5R0.3 CCC(C)SC TS31697 [1,0,1,0,0,0|0,1,0]=3 894 B5R0.3 CCC(C)[Mg]Br TS11456 [1,0,1,0,0,0|2,0,0]=4 895 B5R0.3 CCC(C)[Mg]Cl TS32262 [1,0,1,0,0,0|2,0,0]=4 896 B5R0.3 CCC(C=C)O TS71760 [1,0,1,0,0,0|1,0,1]=4 897 B5R0.3 CCC(CBr)Br TS21966 [1,0,1,0,0,0|2,0,0]=4 898 B5R0.3 CCC(CBr)Cl TS13062 [1,0,1,0,0,0|2,0,0]=4 899 B5R0.3 CCC(CBr)O TS10270 [1,0,1,0,0,0|1,0,0]=3 900 B5R0.3 CCC(CC)Br TS09988 [1,0,1,0,0,0|2,0,0]=4 901 B5R0.3 CCC(CC)Cl TS31745 [1,0,1,0,0,0|2,0,0]=4 902 B5R0.3 CCC(CC)F TS71849 [1,0,1,0,0,0|2,0,0]=4 903 B5R0.3 CCC(CC)I TS18549 [1,0,1,0,0,0|2,0,0]=4 904 B5R0.3 CCC(CC)N TS00440 [1,0,1,0,0,0|2,0,0]=4 905 B5R0.3 CCC(CC)O TS00239 [1,0,1,0,0,0|1,0,0]=3 906 B5R0.3 CCC(CC)[Zn+] TS49169 [1,0,1,0,0,0|2,0,0]=4 907 B5R0.3 CCC(CCl)Cl TS36203 [1,0,1,0,0,0|2,0,0]=4 908 B5R0.3 CCC(CN)N TS71807 [1,0,1,0,0,0|2,0,0]=4 909 B5R0.3 CCC(CN)O TS03604 [1,0,1,0,0,0|1,0,0]=3 910 B5R0.3 CCC(CO)N TS03601 [1,0,1,0,0,0|1,0,0]=3 911 B5R0.3 CCC(CS)S TS04932 [1,0,1,0,0,0|0,2,0]=4 912 B5R0.3 CCN(C)CC TS71781 [1,0,1,0,0,0|2,0,0]=4 913 B5R0.3 CCN(CC)O TS03599 [1,0,1,0,0,0|2,0,0]=4 914 B5R0.3 CC[C@@H](CO)O TS71836 [1,0,1,0,0,0|0,0,0]=2 915 B5R0.3 CC[C@H](C)C#N TS71705 [1,0,1,0,0,0|1,0,1]=4 916 B5R0.3 CC[C@H](C)CBr TS39655 [1,0,1,0,0,0|1,0,0]=3 917 B5R0.3 CC[C@H](C)CCl TS31744 [1,0,1,0,0,0|1,0,0]=3 918 B5R0.3 CC[C@H](CO)N TS03605 [1,0,1,0,0,0|1,0,0]=3 919 B5R0.3 CC[C@H](CO)O TS71838 [1,0,1,0,0,0|0,0,0]=2 920 B5R0.3 CC[SiH](C)CC TS03988 [1,0,1,0,0,0|1,1,0]=4 921 B5R0.3 COC(=O)CO TS03617 [1,0,1,0,0,0|1,0,1]=4 922 B5R0.3 CO[SiH](C)OC TS04108 [1,0,1,0,0,0|1,1,0]=4 923 B5R0.3 C[C@@H](CO)CBr TS10268 [1,0,1,0,0,0|1,0,0]=3 924 B5R0.3 C[C@H](CO)CBr TS10271 [1,0,1,0,0,0|1,0,0]=3 925 B5R1.1 C1C=CCO1 TS47265 [2,0,0,0,0,0|0,0,2]=4 926 B5R1.1 C1CC=CC1 TS70869 [2,0,0,0,0,0|1,0,1]=4 927 B5R1.1 C1CCCC1 TS79215 [2,0,0,0,0,0|1,0,0]=3 928 B5R1.1 C1CCCC1 TS83096 [2,0,0,0,0,0|1,0,0]=3 929 B5R1.1 C1CCNC1 TS59825 [2,0,0,0,0,0|1,0,0]=3 930 B5R1.1 C1CCOC1 TS24765 [2,0,0,0,0,0|0,0,0]=2 931 B5R1.1 C1CCOC1 TS39373 [2,0,0,0,0,0|0,0,0]=2 932 B5R1.1 C1CCOC1 TS44432 [2,0,0,0,0,0|0,0,0]=2 933 B5R1.1 C1CCOC1 TS48211 [2,0,0,0,0,0|0,0,0]=2 934 B5R1.1 C1CCOC1 TS60631 [2,0,0,0,0,0|0,0,0]=2 935 B5R1.1 C1CCOC1 TS63866 [2,0,0,0,0,0|0,0,0]=2 936 B5R1.1 C1CCOC1 TS71600 [2,0,0,0,0,0|0,0,0]=2 937 B5R1.1 C1CCOC1 TS80255 [2,0,0,0,0,0|0,0,0]=2 938 B5R1.1 C1CCSC1 TS71810 [2,0,0,0,0,0|0,1,0]=3 939 B5R1.1 C1COC=C1 TS07898 [2,0,0,0,0,0|0,0,2]=4 940 B5R1.1 C1COC=N1 TS03370 [2,0,0,0,0,0|1,0,1]=4 941 B5R1.1 C1COCO1 TS03392 [2,0,0,0,0,0|1,0,0]=3 942 B7R0.2 CC(C)CC(C#C)O TS04314 [0,1,1,0,0,0|1,0,1]=4 943 B7R0.2 CC(C)CC(C)CO TS04618 [0,1,1,0,0,0|1,0,0]=3 944 B7R0.2 CC(C)C[C@H](CO)N TS39858 [0,1,1,0,0,0|1,0,0]=3 945 B7R0.2 CC(C)OC(=O)CO TS32323 [0,1,1,0,0,0|1,0,1]=4 946 B7R0.2 CCC(C)CC(C)C TS04502 [0,1,1,0,0,0|2,0,0]=4 947 B7R0.2 CCC(C)CC(C)N TS04563 [0,1,1,0,0,0|2,0,0]=4 948 B7R0.2 CCC(C)CC(C)N TS10102 [0,1,1,0,0,0|2,0,0]=4 949 B7R0.2 CCC(C)CC(C)O TS32253 [0,1,1,0,0,0|2,0,0]=4 950 B7R0.2 CCC(C)OC(=O)C TS32210 [0,1,1,0,0,0|1,0,1]=4 951 B7R0.2 CCC(CC(=C)C)O TS32110 [0,1,1,0,0,0|1,0,1]=4 952 B7R0.2 CCC(CC(C)C)O TS32246 [0,1,1,0,0,0|1,0,0]=3 953 B7R0.2 CCC(CC(C)O)O TS32344 [0,1,1,0,0,0|1,0,0]=3 954 B7R0.2 CN(C)CC(CO)O TS65701 [0,1,1,0,0,0|1,0,0]=3 955 B7R0.3 C(CC(CN)Cl)CCl TS17567 [0,1,1,0,0,0|2,0,0]=4 956 B7R0.3 C(CC(CO)O)CO TS32424 [0,1,1,0,0,0|0,0,0]=2 957 B7R0.3 CC(CCCN)CN TS04630 [0,1,1,0,0,0|2,0,0]=4 958 B7R0.3 CC(CO)OCC#C TS04443 [0,1,1,0,0,0|0,0,1]=3 959 B7R0.3 CCC#CC(CC)O TS31952 [0,1,1,0,0,0|1,0,1]=4 960 B7R0.3 CCC(CC#CC)O TS04317 [0,1,1,0,0,0|1,0,1]=4 961 B7R0.3 CCC(CCC=C)O TS32091 [0,1,1,0,0,0|1,0,1]=4 962 B7R0.3 CCC=CC(C)CC TS31968 [0,1,1,0,0,0|2,0,0]=4 963 B7R0.3 CCCCC(C#C)O TS31937 [0,1,1,0,0,0|1,0,1]=4 964 B7R0.3 CCCCC(C)CBr TS14345 [0,1,1,0,0,0|2,0,0]=4 965 B7R0.3 CCCCC(C)CC TS32121 [0,1,1,0,0,0|2,0,0]=4 966 B7R0.3 CCCCC(C)CO TS32251 [0,1,1,0,0,0|1,0,0]=3 967 B7R0.3 CCCCC(C=C)O TS04474 [0,1,1,0,0,0|1,0,1]=4 968 B7R0.3 CCCCC(CBr)Br TS85274 [0,1,1,0,0,0|2,0,0]=4 969 B7R0.3 CCCCC(CC)Br TS14340 [0,1,1,0,0,0|2,0,0]=4 970 B7R0.3 CCCCC(CC)N TS04554 [0,1,1,0,0,0|2,0,0]=4 971 B7R0.3 CCCCC(CC)O TS04628 [0,1,1,0,0,0|1,0,0]=3 972 B7R0.3 CCCCC(CCl)Cl TS10545 [0,1,1,0,0,0|2,0,0]=4 973 B7R0.3 CCCCC(CO)N TS32290 [0,1,1,0,0,0|1,0,0]=3 974 B7R0.3 CCCCC(CO)O TS32342 [0,1,1,0,0,0|0,0,0]=2 975 B7R0.3 CCCC[C@@H](CO)N TS32293 [0,1,1,0,0,0|1,0,0]=3 976 B7R0.3 CCCC[C@H](CO)N TS32292 [0,1,1,0,0,0|1,0,0]=3 977 B7R0.3 CCCNC(C)CC TS04555 [0,1,1,0,0,0|2,0,0]=4 978 B7R0.3 CCOCC(CO)O TS04807 [0,1,1,0,0,0|0,0,0]=2 979 B7R0.3 CCSCC(CO)O TS06111 [0,1,1,0,0,0|0,0,0]=2 980 B7R0.3 CC[C@H](C)CCCO TS04624 [0,1,1,0,0,0|2,0,0]=4 981 B7R0.3 CSCCC(CO)N TS06018 [0,1,1,0,0,0|1,0,0]=3 982 B7R0.3 CSCC[C@@H](CO)N TS07679 [0,1,1,0,0,0|1,0,0]=3 983 B7R0.3 CSCC[C@H](CO)N TS22806 [0,1,1,0,0,0|1,0,0]=3 984 B7R0.3 C[C@H](CO)OCOC TS94527 [0,1,1,0,0,0|0,0,0]=2 985 B7R0.5 C(CN)C(C(=O)O)O TS02964 [0,1,1,0,0,0|1,0,1]=4 986 B7R0.5 C(CN)[C@@H](C(=O)O)O TS46625 [0,1,1,0,0,0|1,0,1]=4 987 B7R0.5 C(CO)[C@@H](C(=O)O)O TS32406 [0,1,1,0,0,0|1,0,1]=4 988 B7R0.5 CCC=C(C)C(C)O TS04482 [0,1,1,0,0,0|1,0,1]=4 989 B7R0.5 CCCC(C(=O)O)Br TS14719 [0,1,1,0,0,0|1,0,1]=4 990 B7R0.5 CCCC(C(=O)O)N TS04663 [0,1,1,0,0,0|1,0,1]=4 991 B7R0.5 CCCC(C(=O)[O-])O TS06422 [0,1,1,0,0,0|0,0,2]=4 992 B7R0.5 CCCC(C(C)Br)Br TS61926 [0,1,1,0,0,0|2,0,0]=4 993 B7R0.5 CCCC(C(C)C)O TS32239 [0,1,1,0,0,0|1,0,0]=3 994 B7R0.5 CCCC(C)C(C)C TS04507 [0,1,1,0,0,0|2,0,0]=4 995 B7R0.5 CCCC(C)C(C)O TS32245 [0,1,1,0,0,0|1,0,0]=3 996 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [0,1,1,0,0,0|1,0,1]=4 997 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [0,1,1,0,0,0|1,0,1]=4 998 B7R0.5 CCNC(C)C(C)C TS04548 [0,1,1,0,0,0|2,0,0]=4 999 B7R0.5 CCOC(=O)C(C)O TS04714 [0,1,1,0,0,0|1,0,1]=4 1000 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [0,1,1,0,0,0|1,0,1]=4 1001 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [0,1,1,0,0,0|1,0,1]=4 1002 B7R0.5 CCOC(C(F)F)O TS05132 [0,1,1,0,0,0|2,0,0]=4 1003 B7R0.7 CC(CCO)CCO TS04739 [0,1,1,0,0,0|2,0,0]=4 1004 B7R0.7 CCCC(C)C=NO TS32167 [0,1,1,0,0,0|1,0,1]=4 1005 B7R0.7 CCCC(C)CC=C TS31971 [0,1,1,0,0,0|2,0,0]=4 1006 B7R0.7 CCCC(C)CCC TS04512 [0,1,1,0,0,0|2,0,0]=4 1007 B7R0.7 CCCC(C)CCO TS32249 [0,1,1,0,0,0|1,0,0]=3 1008 B7R0.7 CCCC(C)OCC TS32250 [0,1,1,0,0,0|1,0,0]=3 1009 B7R0.7 CCCC(C=CC)O TS04465 [0,1,1,0,0,0|1,0,1]=4 1010 B7R0.7 CCCC(CC=C)O TS04466 [0,1,1,0,0,0|1,0,0]=3 1011 B7R0.7 CCCC(CCC)Br TS14339 [0,1,1,0,0,0|2,0,0]=4 1012 B7R0.7 CCCC(CCC)Cl TS36889 [0,1,1,0,0,0|2,0,0]=4 1013 B7R0.7 CCCC(CCC)N TS02992 [0,1,1,0,0,0|2,0,0]=4 1014 B7R0.7 CCCC(CCC)O TS04625 [0,1,1,0,0,0|1,0,0]=3 1015 B7R0.7 CCCC(CCC)[Zn+] TS62077 [0,1,1,0,0,0|2,0,0]=4 1016 B7R0.7 CCCC(CCO)S TS36876 [0,1,1,0,0,0|0,1,0]=3 1017 B7R0.7 CCC[C@@H](C)CCO TS32231 [0,1,1,0,0,0|1,0,0]=3 1018 B7R0.7 CCOC(=O)COC TS32327 [0,1,1,0,0,0|1,0,1]=4 1019 B7R0.7 CCOC(C)OCC TS04742 [0,1,1,0,0,0|1,0,0]=3 1020 B7R0.7 CCOC(OCC)[SiH3] TS36880 [0,1,1,0,0,0|1,1,0]=4 1021 B7R0.7 CCOP(C)OCC TS36977 [0,1,1,0,0,0|2,0,0]=4 1022 B7R0.7 COCC(COC)O TS59495 [0,1,1,0,0,0|1,0,0]=3 1023 B7R0.7 CSCC(CSC)O TS10235 [0,1,1,0,0,0|1,1,0]=4 1024 B7R0.10 C(C(C(CBr)O)O)Br TS27686 [0,1,1,0,0,0|2,0,0]=4 1025 B7R0.10 C(C(C(CO)Br)Br)O TS85188 [0,1,1,0,0,0|2,0,0]=4 1026 B7R0.10 C([C@@H]([C@@H](C=O)O)O)O TS32410 [0,1,1,0,0,0|1,0,1]=4 1027 B7R0.10 C([C@@H]([C@H](CO)O)O)O TS32487 [0,1,1,0,0,0|1,0,0]=3 1028 B7R0.10 C([C@@H]([C@H](CS)O)O)S TS41446 [0,1,1,0,0,0|1,1,0]=4 1029 B7R0.10 C([C@H]([C@@H](C=O)O)O)O TS32408 [0,1,1,0,0,0|1,0,1]=4 1030 B7R0.10 C([C@H]([C@@H](CO)O)O)O TS32486 [0,1,1,0,0,0|1,0,0]=3 1031 B7R0.10 C([C@H]([C@@H](CS)O)O)S TS41447 [0,1,1,0,0,0|1,1,0]=4 1032 B7R0.10 C([C@H]([C@H](C=O)O)O)O TS32407 [0,1,1,0,0,0|1,0,1]=4 1033 B7R0.10 C([C@H]([C@H](CS)O)O)S TS41444 [0,1,1,0,0,0|1,1,0]=4 1034 B7R0.10 CCC(C(=O)CC)O TS32221 [0,1,1,0,0,0|1,0,1]=4 1035 B7R0.10 CCC(C(C)CO)S TS36877 [0,1,1,0,0,0|1,0,0]=3 1036 B7R0.10 CCC(C(CC)Br)Br TS61927 [0,1,1,0,0,0|2,0,0]=4 1037 B7R0.10 CCC(C)C(=C)CC TS04351 [0,1,1,0,0,0|2,0,0]=4 1038 B7R0.10 CCC(C)C(=O)CC TS04477 [0,1,1,0,0,0|2,0,0]=4 1039 B7R0.10 CCC(C)C(C)CC TS04508 [0,1,1,0,0,0|2,0,0]=4 1040 B7R0.10 CCC(C)C(C)CO TS32242 [0,1,1,0,0,0|1,0,0]=3 1041 B7R0.10 CCC(C)C(CC)O TS04626 [0,1,1,0,0,0|1,0,0]=3 1042 B7R0.10 CC[C@@H](C)[C@H](CO)N TS22803 [0,1,1,0,0,0|1,0,0]=3 1043 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [0,1,1,0,0,0|2,0,0]=4 1044 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [0,1,1,0,0,0|2,0,0]=4 1045 B7R0.11 CCC(C)(C)OCC TS32244 [0,1,1,0,0,0|1,0,0]=3 1046 B7R0.11 CCCC(C)(C#C)O TS04309 [0,1,1,0,0,0|1,0,1]=4 1047 B7R0.11 CCCC(C)(C)CC TS32122 [0,1,1,0,0,0|2,0,0]=4 1048 B7R0.11 CCCC(C)(CC)Cl TS36886 [0,1,1,0,0,0|2,0,0]=4 1049 B7R0.11 CCCC(C)(CC)O TS04623 [0,1,1,0,0,0|1,0,0]=3 1050 B7R0.11 CCO[C@@](C)(CO)O TS94520 [0,1,1,0,0,0|0,0,0]=2 1051 B7R0.11 CCO[Si](C)(C)CCl TS41229 [0,1,1,0,0,0|1,1,0]=4 1052 B7R0.12 CCCC(CC)CC TS04503 [0,1,1,0,0,0|2,0,0]=4 1053 B7R0.12 CCCC(CC)CO TS32241 [0,1,1,0,0,0|1,0,0]=3 1054 B7R0.12 CCCC(CO)CO TS32343 [0,1,1,0,0,0|0,0,0]=2 1055 B7R0.1 C#CCCCCCO TS01237 [0,1,1,0,0,0|1,0,0]=3 1056 B7R0.1 C(CCC#N)CCBr TS39357 [0,1,1,0,0,0|2,0,0]=4 1057 B7R0.1 C(CCC#N)CCCl TS05684 [0,1,1,0,0,0|2,0,0]=4 1058 B7R0.1 C(CCC#N)CCN TS04328 [0,1,1,0,0,0|2,0,0]=4 1059 B7R0.1 C(CCCBr)CCBr TS07890 [0,1,1,0,0,0|2,0,0]=4 1060 B7R0.1 C(CCCBr)CCCl TS00416 [0,1,1,0,0,0|2,0,0]=4 1061 B7R0.1 C(CCCBr)CCO TS59727 [0,1,1,0,0,0|1,0,0]=3 1062 B7R0.1 C(CCCCl)CCCl TS10546 [0,1,1,0,0,0|2,0,0]=4 1063 B7R0.1 C(CCCCl)CCO TS06143 [0,1,1,0,0,0|1,0,0]=3 1064 B7R0.1 C(CCCI)CCCl TS27509 [0,1,1,0,0,0|2,0,0]=4 1065 B7R0.1 C(CCCN)CCN TS04632 [0,1,1,0,0,0|2,0,0]=4 1066 B7R0.1 C(CCCN)CCN TS41228 [0,1,1,0,0,0|2,0,0]=4 1067 B7R0.1 C(CCCN)CCN TS41960 [0,1,1,0,0,0|2,0,0]=4 1068 B7R0.1 C(CCCN)CCN TS42181 [0,1,1,0,0,0|2,0,0]=4 1069 B7R0.1 C(CCCO)CCN TS39356 [0,1,1,0,0,0|1,0,0]=3 1070 B7R0.1 C(CCCO)CCO TS46825 [0,1,1,0,0,0|0,0,0]=2 1071 B7R0.1 C(CCCS)CCO TS36872 [0,1,1,0,0,0|0,1,0]=3 1072 B7R0.1 C(CCCS)CCS TS40940 [0,1,1,0,0,0|0,2,0]=4 1073 B7R0.1 C(CCC[Zn+])CCCl TS68903 [0,1,1,0,0,0|2,0,0]=4 1074 B7R0.1 C(CCO)CC=NO TS04658 [0,1,1,0,0,0|0,0,1]=3 1075 B7R0.1 C(CN)CNCCBr TS56331 [0,1,1,0,0,0|2,0,0]=4 1076 B7R0.1 C(CN)CNCCN TS32302 [0,1,1,0,0,0|2,0,0]=4 1077 B7R0.1 C(CN)CNCCO TS56334 [0,1,1,0,0,0|1,0,0]=3 1078 B7R0.1 C(CNCCN)CO TS32350 [0,1,1,0,0,0|1,0,0]=3 1079 B7R0.1 C(CNCCO)CO TS04790 [0,1,1,0,0,0|0,0,0]=2 1080 B7R0.1 C(CO)C#CCCO TS32070 [0,1,1,0,0,0|0,0,1]=3 1081 B7R0.1 C(CSCCO)C#N TS05678 [0,1,1,0,0,0|0,1,1]=4 1082 B7R0.1 C(CSSCCO)O TS41445 [0,1,1,0,0,0|1,0,0]=3 1083 B7R0.1 C=CCCCCCBr TS59625 [0,1,1,0,0,0|2,0,0]=4 1084 B7R0.1 C=CCCCCCCl TS36738 [0,1,1,0,0,0|2,0,0]=4 1085 B7R0.1 C=CCCCCCO TS04461 [0,1,1,0,0,0|1,0,0]=3 1086 B7R0.1 C=CCOCCCO TS04587 [0,1,1,0,0,0|0,0,2]=4 1087 B7R0.1 C=COCCCCO TS32203 [0,1,1,0,0,0|1,0,1]=4 1088 B7R0.1 CCC=CCCCO TS04463 [0,1,1,0,0,0|1,0,1]=4 1089 B7R0.1 CCCC#CCCC TS31857 [0,1,1,0,0,0|2,0,0]=4 1090 B7R0.1 CCCC#CCCO TS31945 [0,1,1,0,0,0|1,0,0]=3 1091 B7R0.1 CCCC=CCCC TS31958 [0,1,1,0,0,0|2,0,0]=4 1092 B7R0.1 CCCC=CCCO TS04459 [0,1,1,0,0,0|1,0,0]=3 1093 B7R0.1 CCCCC#CCO TS31930 [0,1,1,0,0,0|1,0,1]=4 1094 B7R0.1 CCCCC=CCO TS32112 [0,1,1,0,0,0|1,0,1]=4 1095 B7R0.1 CCCCCCC#C TS31852 [0,1,1,0,0,0|2,0,0]=4 1096 B7R0.1 CCCCCCC#N TS31893 [0,1,1,0,0,0|2,0,0]=4 1097 B7R0.1 CCCCCCC=O TS32096 [0,1,1,0,0,0|1,0,1]=4 1098 B7R0.1 CCCCCCCBr TS00035 [0,1,1,0,0,0|2,0,0]=4 1099 B7R0.1 CCCCCCCCl TS36887 [0,1,1,0,0,0|2,0,0]=4 1100 B7R0.1 CCCCCCCF TS32353 [0,1,1,0,0,0|2,0,0]=4 1101 B7R0.1 CCCCCCCI TS52275 [0,1,1,0,0,0|2,0,0]=4 1102 B7R0.1 CCCCCCCN TS04552 [0,1,1,0,0,0|2,0,0]=4 1103 B7R0.1 CCCCCCCO TS32232 [0,1,1,0,0,0|1,0,0]=3 1104 B7R0.1 CCCCCCCS TS05788 [0,1,1,0,0,0|1,1,0]=4 1105 B7R0.1 CCCCCCNC TS04559 [0,1,1,0,0,0|2,0,0]=4 1106 B7R0.1 CCCCCCOC TS32254 [0,1,1,0,0,0|1,0,0]=3 1107 B7R0.1 CCCCCCSC TS05792 [0,1,1,0,0,0|1,1,0]=4 1108 B7R0.1 CCCCCNCC TS04550 [0,1,1,0,0,0|2,0,0]=4 1109 B7R0.1 CCCCCOCC TS32236 [0,1,1,0,0,0|2,0,0]=4 1110 B7R0.1 CCCCCSCC TS36717 [0,1,1,0,0,0|2,0,0]=4 1111 B7R0.1 CCCCNCCC TS04557 [0,1,1,0,0,0|2,0,0]=4 1112 B7R0.1 CCCCNCCN TS04633 [0,1,1,0,0,0|2,0,0]=4 1113 B7R0.1 CCCCNCCO TS32289 [0,1,1,0,0,0|1,0,0]=3 1114 B7R0.1 CCCCNCCS TS36787 [0,1,1,0,0,0|1,1,0]=4 1115 B7R0.1 CCCCOCC=C TS32094 [0,1,1,0,0,0|1,0,1]=4 1116 B7R0.1 CCCCOCCBr TS48031 [0,1,1,0,0,0|1,0,0]=3 1117 B7R0.1 CCCCOCCCl TS06142 [0,1,1,0,0,0|1,0,0]=3 1118 B7R0.1 CCCCOCCO TS04738 [0,1,1,0,0,0|0,0,0]=2 1119 B7R0.1 CCCCSCCC TS05790 [0,1,1,0,0,0|1,1,0]=4 1120 B7R0.1 CCCCSCCO TS36874 [0,1,1,0,0,0|0,1,0]=3 1121 B7R0.1 CCCNCCC#N TS04329 [0,1,1,0,0,0|2,0,0]=4 1122 B7R0.1 CCCNCCCN TS32259 [0,1,1,0,0,0|2,0,0]=4 1123 B7R0.1 CCCNCCN=O TS04604 [0,1,1,0,0,0|1,0,1]=4 1124 B7R0.1 CCCOCCCN TS32295 [0,1,1,0,0,0|1,0,0]=3 1125 B7R0.1 CCCSSCCC TS40941 [0,1,1,0,0,0|1,1,0]=4 1126 B7R0.1 CCNCCCCN TS36623 [0,1,1,0,0,0|2,0,0]=4 1127 B7R0.1 CCNCCCCO TS32294 [0,1,1,0,0,0|1,0,0]=3 1128 B7R0.1 CCOCCCCCl TS06141 [0,1,1,0,0,0|2,0,0]=4 1129 B7R0.1 CNCCNCCN TS32303 [0,1,1,0,0,0|2,0,0]=4 1130 B7R0.1 COCCOCCBr TS48373 [0,1,1,0,0,0|1,0,0]=3 1131 B7R0.1 COCCOCCCl TS37251 [0,1,1,0,0,0|1,0,0]=3 1132 B7R0.4 B(CCCCC)(O)O TS01615 [0,1,1,0,0,0|2,0,0]=4 1133 B7R0.4 C(CCBr)CC(=O)O TS14721 [0,1,1,0,0,0|1,0,1]=4 1134 B7R0.4 C(CCCl)CC(=O)O TS06138 [0,1,1,0,0,0|1,0,1]=4 1135 B7R0.4 C(CCN)CC(=O)O TS04661 [0,1,1,0,0,0|1,0,1]=4 1136 B7R0.4 C(CCN)CC(=O)O TS41314 [0,1,1,0,0,0|1,0,1]=4 1137 B7R0.4 C(CCl)OCC(=O)O TS37248 [0,1,1,0,0,0|1,0,1]=4 1138 B7R0.4 C(COCC(=O)N)O TS32389 [0,1,1,0,0,0|1,0,1]=4 1139 B7R0.4 CC(C)CCCCBr TS14341 [0,1,1,0,0,0|2,0,0]=4 1140 B7R0.4 CC(C)CCCCCl TS36890 [0,1,1,0,0,0|2,0,0]=4 1141 B7R0.4 CC(C)COCCO TS04743 [0,1,1,0,0,0|0,0,0]=2 1142 B7R0.4 CC(C)CSCCO TS36873 [0,1,1,0,0,0|0,1,0]=3 1143 B7R0.4 CC(CCCCO)O TS04744 [0,1,1,0,0,0|0,0,0]=2 1144 B7R0.4 CC(CNCCN)O TS32351 [0,1,1,0,0,0|2,0,0]=4 1145 B7R0.4 CCC#CCC(C)O TS31938 [0,1,1,0,0,0|1,0,1]=4 1146 B7R0.4 CCCCCC(=O)O TS32204 [0,1,1,0,0,0|1,0,1]=4 1147 B7R0.4 CCCCCC(C)Br TS14342 [0,1,1,0,0,0|2,0,0]=4 1148 B7R0.4 CCCCCC(C)C TS32120 [0,1,1,0,0,0|2,0,0]=4 1149 B7R0.4 CCCCCC(C)Cl TS05959 [0,1,1,0,0,0|2,0,0]=4 1150 B7R0.4 CCCCCC(C)N TS04560 [0,1,1,0,0,0|2,0,0]=4 1151 B7R0.4 CCCCCC(C)O TS32255 [0,1,1,0,0,0|1,0,0]=3 1152 B7R0.4 CCCCC[C@@H](C)N TS04556 [0,1,1,0,0,0|2,0,0]=4 1153 B7R0.4 CCCCC[C@@H](C)O TS04622 [0,1,1,0,0,0|1,0,0]=3 1154 B7R0.4 CCCCC[C@H](C)N TS04553 [0,1,1,0,0,0|2,0,0]=4 1155 B7R0.4 CCCCC[C@H](C)O TS32248 [0,1,1,0,0,0|1,0,0]=3 1156 B7R0.4 CCCNCC(=O)O TS04670 [0,1,1,0,0,0|1,0,1]=4 1157 B7R0.4 CCCOCC(=O)O TS32314 [0,1,1,0,0,0|0,0,1]=3 1158 B7R0.4 CCCOCC(C)O TS04740 [0,1,1,0,0,0|0,0,0]=2 1159 B7R0.4 CCCSCC(=O)O TS05921 [0,1,1,0,0,0|0,1,1]=4 1160 B7R0.4 CCCSCC(C)C TS05789 [0,1,1,0,0,0|1,1,0]=4 1161 B7R0.4 CN(C)CCCCO TS32288 [0,1,1,0,0,0|2,0,0]=4 1162 B7R0.4 C[C@H](CCCCO)O TS04737 [0,1,1,0,0,0|0,0,0]=2 1163 B7R0.15 CCC(CC)C(=C)C TS31969 [0,1,1,0,0,0|2,0,0]=4 1164 B7R0.15 CCC(CC)C(=O)C TS04458 [0,1,1,0,0,0|2,0,0]=4 1165 B7R0.15 CCC(CC)C(=O)O TS04596 [0,1,1,0,0,0|1,0,1]=4 1166 B7R0.15 CCC(CC)C(C)C TS04501 [0,1,1,0,0,0|2,0,0]=4 1167 B7R0.15 CCC(CC)C(C)O TS32240 [0,1,1,0,0,0|1,0,0]=3 1168 B7R0.15 CCC(CO)[N+](=O)[O-] TS32388 [0,1,1,0,0,0|2,0,0]=4 1169 B7R0.15 CC[C@H](CO)C(=O)O TS04708 [0,1,1,0,0,0|2,0,0]=4 1170 B7R0.18 CC(CBr)(OC)OC TS48374 [0,1,1,0,0,0|2,0,0]=4 1171 B7R0.18 CCC(C)(CC)CC TS04506 [0,1,1,0,0,0|2,0,0]=4 1172 B7R0.18 CCC(C)(CC)CO TS55446 [0,1,1,0,0,0|1,0,0]=3 1173 B7R0.18 CCC(C)(CO)CO TS04736 [0,1,1,0,0,0|2,0,0]=4 1174 B7R0.18 CCC(CC)(CC)O TS04620 [0,1,1,0,0,0|2,0,0]=4 1175 B7R0.18 CCC(CC)(CC)S TS36718 [0,1,1,0,0,0|2,0,0]=4 1176 B7R0.18 CCC(CO)(CO)N TS04788 [0,1,1,0,0,0|2,0,0]=4 1177 B7R1.2 C1C(COC1=O)O TS31581 [1,1,0,0,0,0|0,0,2]=4 1178 B7R1.2 C1CC(CC1N)N TS03878 [1,1,0,0,0,0|2,0,0]=4 1179 B7R1.2 C1CC(CC1N)O TS86416 [1,1,0,0,0,0|1,0,0]=3 1180 B7R1.2 C1C[C@@H](C[C@@H]1N)O TS85957 [1,1,0,0,0,0|1,0,0]=3 1181 B7R1.2 C1C[C@@H](C[C@H]1N)O TS87237 [1,1,0,0,0,0|1,0,0]=3 1182 B7R1.2 C1[C@@H](COC1=O)N TS37130 [1,1,0,0,0,0|0,0,2]=4 1183 B7R1.2 C1[C@@H](COC1=O)O TS33101 [1,1,0,0,0,0|0,0,2]=4 1184 B7R1.2 C1[C@H](C=C[C@H]1O)O TS31496 [1,1,0,0,0,0|1,0,1]=4 1185 B7R1.2 C1[C@H](COC1=O)O TS46585 [1,1,0,0,0,0|0,0,2]=4 1186 B7R1.2 CC1CCC(N1)C TS94712 [1,1,0,0,0,0|1,0,0]=3 1187 B7R1.2 CC1CCC(O1)C TS47281 [1,1,0,0,0,0|0,0,0]=2 1188 B7R1.2 CC1COC(=O)O1 TS08062 [1,1,0,0,0,0|1,0,1]=4 1189 B7R1.2 CC1COC(=O)O1 TS93060 [1,1,0,0,0,0|1,0,1]=4 1190 B7R1.2 CC1COC(O1)C TS03942 [1,1,0,0,0,0|1,0,0]=3 1191 B7R1.2 CN1CCC(C1)N TS03871 [1,1,0,0,0,0|2,0,0]=4 1192 B7R1.2 CN1CCC(C1)O TS31556 [1,1,0,0,0,0|2,0,0]=4 1193 B7R1.2 CN1CC[C@@H](C1)N TS86663 [1,1,0,0,0,0|2,0,0]=4 1194 B7R1.2 CN1CC[C@@H](C1)O TS03901 [1,1,0,0,0,0|2,0,0]=4 1195 B7R1.2 CN1CC[C@H](C1)O TS03903 [1,1,0,0,0,0|2,0,0]=4 1196 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,1,0,0,0,0|0,0,1]=3 1197 B7R1.2 C[C@@H]1CC[C@@H](C1)C TS03800 [1,1,0,0,0,0|1,0,0]=3 1198 B7R1.2 C[C@H]1CC[C@@H](C1)C TS31449 [1,1,0,0,0,0|1,0,0]=3 1199 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [1,1,0,0,0,0|1,0,1]=4 1200 B7R1.4 C1CC(C(=O)C1)Br TS55161 [1,1,0,0,0,0|2,0,0]=4 1201 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [1,1,0,0,0,0|2,0,0]=4 1202 B7R1.4 C1CC(C(C1)Cl)Cl TS06337 [1,1,0,0,0,0|2,0,0]=4 1203 B7R1.4 C1CC(C(C1)O)N TS03905 [1,1,0,0,0,0|1,0,0]=3 1204 B7R1.4 C1CNC(=O)C1O TS02803 [1,1,0,0,0,0|2,0,0]=4 1205 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [1,1,0,0,0,0|2,0,0]=4 1206 B7R1.4 C1COC(=O)C1Br TS65029 [1,1,0,0,0,0|0,0,2]=4 1207 B7R1.4 C1COC(=O)C1O TS70622 [1,1,0,0,0,0|0,0,2]=4 1208 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [1,1,0,0,0,0|0,0,2]=4 1209 B7R1.4 C1COC(=O)[C@H]1N TS37131 [1,1,0,0,0,0|0,0,2]=4 1210 B7R1.4 C1COC(C1Br)Br TS52914 [1,1,0,0,0,0|1,0,0]=3 1211 B7R1.4 C1COC(C1Cl)Cl TS37466 [1,1,0,0,0,0|1,0,0]=3 1212 B7R1.4 C1C[C@@H]([C@H](C1)O)N TS59451 [1,1,0,0,0,0|1,0,0]=3 1213 B7R1.4 C1C[C@@H]([C@H](C1)O)O TS03951 [1,1,0,0,0,0|1,0,0]=3 1214 B7R1.4 C1C[C@H]([C@@H](C1)Cl)Cl TS06338 [1,1,0,0,0,0|2,0,0]=4 1215 B7R1.4 C1C[C@H]([C@@H](C1)O)N TS94575 [1,1,0,0,0,0|1,0,0]=3 1216 B7R1.4 C1C[C@H]([C@@H](C1)O)O TS03935 [1,1,0,0,0,0|1,0,0]=3 1217 B7R1.4 C1C[C@H]([C@H](C1)O)N TS55819 [1,1,0,0,0,0|1,0,0]=3 1218 B7R1.4 C1C[C@H]([C@H](C1)O)O TS03956 [1,1,0,0,0,0|1,0,0]=3 1219 B7R1.4 C1[C@@H]([C@H](CN1)O)O TS87014 [1,1,0,0,0,0|2,0,0]=4 1220 B7R1.4 C1[C@@H]([C@H](CO1)O)O TS31674 [1,1,0,0,0,0|2,0,0]=4 1221 B7R1.4 C1[C@H]([C@@H](CN1)F)O TS92108 [1,1,0,0,0,0|2,0,0]=4 1222 B7R1.4 C1[C@H]([C@@H](CN1)O)O TS89590 [1,1,0,0,0,0|2,0,0]=4 1223 B7R1.4 C1[C@H]([C@H](CN1)O)O TS91803 [1,1,0,0,0,0|2,0,0]=4 1224 B7R1.4 CC1=C(CCC1)C TS03727 [1,1,0,0,0,0|1,0,1]=4 1225 B7R1.4 CC1=C(CCO1)S TS04610 [1,1,0,0,0,0|0,0,2]=4 1226 B7R1.4 CC1=C(CCO1)S TS11013 [1,1,0,0,0,0|0,0,2]=4 1227 B7R1.4 CC1C(=O)CCO1 TS31501 [1,1,0,0,0,0|0,0,1]=3 1228 B7R1.4 CC1C(=O)CCS1 TS04612 [1,1,0,0,0,0|0,1,1]=4 1229 B7R1.4 CC1C(CCO1)S TS32361 [1,1,0,0,0,0|0,0,0]=2 1230 B7R1.4 CC1CCC=C1C TS31386 [1,1,0,0,0,0|1,0,1]=4 1231 B7R1.4 CC1CCNC1=O TS70662 [1,1,0,0,0,0|2,0,0]=4 1232 B7R1.4 CC1CCOC1=O TS59696 [1,1,0,0,0,0|0,0,2]=4 1233 B7R1.4 CN1CCCC1=O TS46986 [1,1,0,0,0,0|2,0,0]=4 1234 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [1,1,0,0,0,0|1,0,0]=3 1235 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [1,1,0,0,0,0|1,0,0]=3 1236 B7R1.14 C1CCC(C1)(F)F TS04079 [1,1,0,0,0,0|2,0,0]=4 1237 B7R1.14 C1COS(=O)(=O)C1 TS07867 [1,1,0,0,0,0|1,0,1]=4 1238 B7R1.14 CC1(CCCC1)C TS31456 [1,1,0,0,0,0|1,0,0]=3 1239 B7R1.14 CC1(CCCN1)C TS89244 [1,1,0,0,0,0|1,0,0]=3 1240 B7R1.14 CC1(CCNC1)C TS86689 [1,1,0,0,0,0|2,0,0]=4 1241 B7R1.14 CC1(CCNC1)O TS87844 [1,1,0,0,0,0|2,0,0]=4 1242 B7R1.14 CC1(CCOC1)N TS86382 [1,1,0,0,0,0|2,0,0]=4 1243 B7R1.14 CC1(COCN1)C TS31558 [1,1,0,0,0,0|2,0,0]=4 1244 B7R1.14 CC1(NCCS1)C TS47123 [1,1,0,0,0,0|1,1,0]=4 1245 B7R1.14 CC1(OCCO1)C TS03946 [1,1,0,0,0,0|1,0,0]=3 1246 B7R1.14 C[N+]1(CCCC1)C TS52453 [1,1,0,0,0,0|2,0,0]=4 1247 B7R1.14 C[Si]1(CCCC1)C TS32125 [1,1,0,0,0,0|1,1,0]=4 1248 B7R1.6 C1C(CO1)CC=O TS86511 [0,1,0,0,1,0|1,0,1]=4 1249 B7R1.6 C1C(CO1)CCO TS86834 [0,1,0,0,1,0|1,0,0]=3 1250 B7R1.6 C1CC(C1)CCN TS88922 [0,1,0,0,1,0|1,0,0]=3 1251 B7R1.6 C1CN(C1)CCCl TS92407 [0,1,0,0,1,0|2,0,0]=4 1252 B7R1.6 CCNC1COC1 TS86473 [0,1,0,0,1,0|2,0,0]=4 1253 B7R1.6 CCOC1CNC1 TS37143 [0,1,0,0,1,0|2,0,0]=4 1254 B7R1.6 CNCC1COC1 TS92157 [0,1,0,0,1,0|2,0,0]=4 1255 B7R1.6 COCC1CCN1 TS92247 [0,1,0,0,1,0|1,0,0]=3 1256 B7R1.6 COCC1CNC1 TS37139 [0,1,0,0,1,0|1,0,0]=3 1257 B7R1.6 COC[C@@H]1CCN1 TS92216 [0,1,0,0,1,0|1,0,0]=3 1258 B7R1.6 COC[C@H]1CCN1 TS90071 [0,1,0,0,1,0|1,0,0]=3 1259 B7R1.8 C1CC(=O)C1CO TS92430 [0,1,0,0,1,0|0,0,1]=3 1260 B7R1.8 CN1CCC1CN TS92300 [0,1,0,0,1,0|2,0,0]=4 1261 B7R1.8 CN1CC[C@@H]1CN TS91985 [0,1,0,0,1,0|2,0,0]=4 1262 B7R1.8 CN1CC[C@H]1CN TS92777 [0,1,0,0,1,0|2,0,0]=4 1263 B7R1.10 C1C(CC1=O)CBr TS89769 [0,1,0,0,1,0|1,0,1]=4 1264 B7R1.10 C1C(CC1=O)CCl TS90066 [0,1,0,0,1,0|1,0,1]=4 1265 B7R1.10 C1C(CC1=O)CN TS88367 [0,1,0,0,1,0|1,0,1]=4 1266 B7R1.10 C1C(CC1=O)CO TS87456 [0,1,0,0,1,0|0,0,1]=3 1267 B7R1.10 C1C(CC1Cl)CO TS91726 [0,1,0,0,1,0|0,0,0]=2 1268 B7R1.10 C1C(CC1F)CN TS91869 [0,1,0,0,1,0|1,0,0]=3 1269 B7R1.10 C1C(CC1F)CN TS92167 [0,1,0,0,1,0|1,0,0]=3 1270 B7R1.10 C1C(CC1F)CN TS92721 [0,1,0,0,1,0|1,0,0]=3 1271 B7R1.10 C1C(CC1N)CO TS87423 [0,1,0,0,1,0|0,0,0]=2 1272 B7R1.10 C1C(CC1N)CO TS88341 [0,1,0,0,1,0|0,0,0]=2 1273 B7R1.10 C1C(CC1O)CN TS86399 [0,1,0,0,1,0|1,0,0]=3 1274 B7R1.10 C1[C@@H](C[C@@H]1CN)O TS89746 [0,1,0,0,1,0|1,0,0]=3 1275 B7R1.10 C1[C@@H](C[C@@H]1CN)O TS91914 [0,1,0,0,1,0|1,0,0]=3 1276 B7R1.10 C1[C@@H](C[C@@H]1CO)N TS87875 [0,1,0,0,1,0|0,0,0]=2 1277 B7R1.10 C1[C@@H](C[C@@H]1CO)N TS89745 [0,1,0,0,1,0|0,0,0]=2 1278 B7R1.10 C1[C@@H](C[C@H]1CN)O TS85823 [0,1,0,0,1,0|1,0,0]=3 1279 B7R1.10 C1[C@@H](C[C@H]1CN)O TS92762 [0,1,0,0,1,0|1,0,0]=3 1280 B7R1.10 C1[C@@H](C[C@H]1CO)N TS87600 [0,1,0,0,1,0|0,0,0]=2 1281 B7R1.10 C1[C@@H](C[C@H]1CO)N TS91749 [0,1,0,0,1,0|0,0,0]=2 1282 B7R1.10 CCN1CC(C1)N TS90570 [0,1,0,0,1,0|2,0,0]=4 1283 B7R1.10 CCN1CC(C1)O TS89760 [0,1,0,0,1,0|2,0,0]=4 1284 B7R1.10 CNC1CC(C1)O TS92151 [0,1,0,0,1,0|2,0,0]=4 1285 B7R1.10 CN[C@H]1C[C@@H](C1)O TS89410 [0,1,0,0,1,0|2,0,0]=4 1286 B7R1.10 CN[C@H]1C[C@H](C1)O TS91820 [0,1,0,0,1,0|2,0,0]=4 1287 B7R1.10 COC1CC(C1)N TS85808 [0,1,0,0,1,0|2,0,0]=4 1288 B7R1.10 CO[C@H]1C[C@@H](C1)N TS86883 [0,1,0,0,1,0|2,0,0]=4 1289 B7R1.10 CO[C@H]1C[C@@H](C1)N TS92050 [0,1,0,0,1,0|2,0,0]=4 1290 B7R1.10 CO[C@H]1C[C@H](C1)N TS87191 [0,1,0,0,1,0|2,0,0]=4 1291 B7R1.10 CO[C@H]1C[C@H](C1)N TS92401 [0,1,0,0,1,0|2,0,0]=4 1292 B7R1.18 C1C(CN1)C(=O)O TS06212 [0,1,0,0,1,0|1,0,1]=4 1293 B7R1.18 C1C(CN1)C(=O)O TS55737 [0,1,0,0,1,0|1,0,1]=4 1294 B7R1.18 C1C(CO1)C(=O)O TS87729 [0,1,0,0,1,0|1,0,1]=4 1295 B7R1.18 C1CC(C1)C(=N)N TS88293 [0,1,0,0,1,0|1,0,1]=4 1296 B7R1.18 C1CC(C1)C(=O)Cl TS22945 [0,1,0,0,1,0|0,0,2]=4 1297 B7R1.18 C1CC(C1)C(=O)N TS03818 [0,1,0,0,1,0|0,0,2]=4 1298 B7R1.18 C1CC(C1)C(=O)O TS22946 [0,1,0,0,1,0|0,0,1]=3 1299 B7R1.18 C1CC(C1)C(=O)[O-] TS39115 [0,1,0,0,1,0|0,0,2]=4 1300 B7R1.18 C1CNC1C(=O)O TS31540 [0,1,0,0,1,0|1,0,1]=4 1301 B7R1.18 C1CNC1C(=O)O TS86021 [0,1,0,0,1,0|1,0,1]=4 1302 B7R1.18 C1CN[C@@H]1C(=O)O TS08096 [0,1,0,0,1,0|1,0,1]=4 1303 B7R1.18 C1CN[C@@H]1C(=O)O TS37132 [0,1,0,0,1,0|1,0,1]=4 1304 B7R1.18 C1CN[C@H]1C(=O)O TS01418 [0,1,0,0,1,0|1,0,1]=4 1305 B7R1.18 C1COC1C(=O)O TS32718 [0,1,0,0,1,0|0,0,1]=3 1306 B7R1.25 C1C(CN1)(CO)F TS86463 [0,1,0,0,1,0|1,0,0]=3 1307 B7R1.25 C1C(CO1)(CBr)F TS90174 [0,1,0,0,1,0|2,0,0]=4 1308 B7R1.25 C1C(CO1)(CI)F TS88760 [0,1,0,0,1,0|2,0,0]=4 1309 B7R1.25 C1C(CO1)(CN)F TS89061 [0,1,0,0,1,0|2,0,0]=4 1310 B7R1.25 C1C(CO1)(CN)O TS89803 [0,1,0,0,1,0|2,0,0]=4 1311 B7R1.25 C1C(CO1)(CO)F TS87143 [0,1,0,0,1,0|1,0,0]=3 1312 B7R1.25 C1C(CO1)(CO)N TS87221 [0,1,0,0,1,0|1,0,0]=3 1313 B7R1.25 C1CC(C1)(CO)N TS87105 [0,1,0,0,1,0|0,0,0]=2 1314 B7R1.25 CC1(CCC1)CN TS85798 [0,1,0,0,1,0|1,0,0]=3 1315 B7R1.25 CC1(CNC1)CN TS89603 [0,1,0,0,1,0|2,0,0]=4 1316 B7R1.25 CC1(COC1)CBr TS42849 [0,1,0,0,1,0|2,0,0]=4 1317 B7R1.25 CC1(COC1)CCl TS89884 [0,1,0,0,1,0|2,0,0]=4 1318 B7R1.25 CC1(COC1)CI TS91677 [0,1,0,0,1,0|2,0,0]=4 1319 B7R1.25 CC1(COC1)CN TS91181 [0,1,0,0,1,0|2,0,0]=4 1320 B7R1.25 CC1(COC1)CO TS70664 [0,1,0,0,1,0|1,0,0]=3 1321 B7R1.25 CC1(COC1)CS TS88281 [0,1,0,0,1,0|1,1,0]=4 1322 B7R1.25 CCC1(CNC1)N TS88165 [0,1,0,0,1,0|2,0,0]=4 1323 B7R1.25 CCC1(CNC1)O TS86360 [0,1,0,0,1,0|2,0,0]=4 1324 B7R1.25 CCC1(COC1)N TS87209 [0,1,0,0,1,0|2,0,0]=4 1325 B7R1.25 CCC1(COC1)N TS92547 [0,1,0,0,1,0|2,0,0]=4 1326 B9R1.1 C1CC(CCC1CN)N TS36359 [0,1,0,0,0,1|2,0,0]=4 1327 B9R1.1 C1[C@@H](CC[C@@H](C1)N)CO TS89377 [0,1,0,0,0,1|1,0,0]=3 1328 B9R1.1 C1[C@@H](CC[C@H](C1)N)CO TS86753 [0,1,0,0,0,1|1,0,0]=3 1329 B9R1.1 C=C1CCC(CC1)CO TS05200 [0,1,0,0,0,1|1,0,0]=3 1330 B9R1.1 CC1CCC(CC1)CO TS05372 [0,1,0,0,0,1|1,0,0]=3 1331 B9R1.1 CCC1CCC(=O)CC1 TS71106 [0,1,0,0,0,1|2,0,0]=4 1332 B9R1.1 CCC1CCC(CC1)C TS05205 [0,1,0,0,0,1|2,0,0]=4 1333 B9R1.1 CCC1CCC(CC1)N TS36256 [0,1,0,0,0,1|2,0,0]=4 1334 B9R1.1 CCC1CCC(CC1)O TS36345 [0,1,0,0,0,1|2,0,0]=4 1335 B9R1.1 CC[C@H]1CC[C@@H](CC1)C TS05211 [0,1,0,0,0,1|2,0,0]=4 1336 B9R1.1 CC[C@H]1CC[C@@H](CC1)N TS36255 [0,1,0,0,0,1|2,0,0]=4 1337 B9R1.1 CC[C@H]1CC[C@@H](CC1)O TS05390 [0,1,0,0,0,1|2,0,0]=4 1338 B9R1.1 CC[C@H]1CC[C@H](CC1)C TS05225 [0,1,0,0,0,1|2,0,0]=4 1339 B9R1.1 CC[C@H]1CC[C@H](CC1)O TS36326 [0,1,0,0,0,1|2,0,0]=4 1340 B9R1.1 CN1CCC(CC1)CN TS46999 [0,1,0,0,0,1|2,0,0]=4 1341 B9R1.1 CN1CCC(CC1)CO TS00484 [0,1,0,0,0,1|1,0,0]=3 1342 B9R1.1 C[C@@H]1CC[C@H](CN1)CO TS89788 [0,1,0,0,0,1|1,0,0]=3 1343 B9R1.2 C1CC(CC(C1)N)CN TS36364 [0,1,0,0,0,1|2,0,0]=4 1344 B9R1.2 C1CNC(=O)CC1CO TS87561 [0,1,0,0,0,1|1,0,1]=4 1345 B9R1.2 CCC1CCCC(C1)C TS36177 [0,1,0,0,0,1|2,0,0]=4 1346 B9R1.2 CC[C@H]1CCC[C@H](C1)C TS05224 [0,1,0,0,0,1|2,0,0]=4 1347 B9R1.2 CN1CCCC(C1)CCl TS15229 [0,1,0,0,0,1|2,0,0]=4 1348 B9R1.2 CN1CCCC(C1)CN TS36366 [0,1,0,0,0,1|2,0,0]=4 1349 B9R1.2 CN1CCCC(C1)CO TS36419 [0,1,0,0,0,1|1,0,0]=3 1350 B9R1.2 CN1CCC[C@@H](C1)CN TS87230 [0,1,0,0,0,1|2,0,0]=4 1351 B9R1.2 CN1CCC[C@H](C1)CN TS85884 [0,1,0,0,0,1|2,0,0]=4 1352 B9R1.2 CN1CCOC(C1)CO TS05661 [0,1,0,0,0,1|0,0,0]=2 1353 B9R1.6 B(C1CCCCC1)(O)O TS85497 [0,1,0,0,0,1|2,0,0]=4 1354 B9R1.6 B(C1CCOCC1)(O)O TS59438 [0,1,0,0,0,1|2,0,0]=4 1355 B9R1.6 C1CC(CNC1)C(=O)O TS05456 [0,1,0,0,0,1|1,0,1]=4 1356 B9R1.6 C1CC(CNC1)C(=O)O TS94707 [0,1,0,0,0,1|1,0,1]=4 1357 B9R1.6 C1CC(COC1)C(=O)O TS02098 [0,1,0,0,0,1|0,0,1]=3 1358 B9R1.6 C1CC(CSC1)C(=O)O TS91315 [0,1,0,0,0,1|0,1,1]=4 1359 B9R1.6 C1CC(NNC1)C(=O)O TS36476 [0,1,0,0,0,1|1,0,1]=4 1360 B9R1.6 C1CC(OC=C1)C(=O)O TS36279 [0,1,0,0,0,1|0,0,2]=4 1361 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [0,1,0,0,0,1|1,0,1]=4 1362 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [0,1,0,0,0,1|1,0,1]=4 1363 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [0,1,0,0,0,1|1,0,1]=4 1364 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [0,1,0,0,0,1|1,0,1]=4 1365 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [0,1,0,0,0,1|1,0,1]=4 1366 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [0,1,0,0,0,1|1,0,1]=4 1367 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [0,1,0,0,0,1|1,0,1]=4 1368 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [0,1,0,0,0,1|0,0,1]=3 1369 B9R1.6 C1CNC(CN1)C(=O)O TS02457 [0,1,0,0,0,1|1,0,1]=4 1370 B9R1.6 C1CNCCC1C(=O)O TS42979 [0,1,0,0,0,1|1,0,1]=4 1371 B9R1.6 C1CNCCC1C(=O)O TS71280 [0,1,0,0,0,1|1,0,1]=4 1372 B9R1.6 C1CNCCC1C(F)F TS86466 [0,1,0,0,0,1|2,0,0]=4 1373 B9R1.6 C1CN[C@@H](CN1)C(=O)O TS08013 [0,1,0,0,0,1|1,0,1]=4 1374 B9R1.6 C1CN[C@@H](CN1)C(=O)O TS60186 [0,1,0,0,0,1|1,0,1]=4 1375 B9R1.6 C1CN[C@H](CN1)C(=O)O TS88452 [0,1,0,0,0,1|1,0,1]=4 1376 B9R1.6 C1COC(CN1)C(=O)O TS56326 [0,1,0,0,0,1|0,0,1]=3 1377 B9R1.6 C1COC(CO1)C(=O)O TS36638 [0,1,0,0,0,1|0,0,1]=3 1378 B9R1.6 C1COCC(N1)C(=O)O TS86226 [0,1,0,0,0,1|1,0,1]=4 1379 B9R1.6 C1COCCC1C(=O)O TS05526 [0,1,0,0,0,1|1,0,1]=4 1380 B9R1.6 C1COC[C@@H](N1)C(=O)O TS88818 [0,1,0,0,0,1|1,0,1]=4 1381 B9R1.6 C1COC[C@H](N1)C(=O)O TS90682 [0,1,0,0,0,1|1,0,1]=4 1382 B9R1.6 C1CO[C@@H](CN1)C(=O)O TS00324 [0,1,0,0,0,1|0,0,1]=3 1383 B9R1.6 C1CSC(SC1)C(=O)O TS11925 [0,1,0,0,0,1|0,1,1]=4 1384 B9R1.6 C1CSCC(N1)C(=O)O TS07364 [0,1,0,0,0,1|1,0,1]=4 1385 B9R1.6 C1CSCC(N1)C(=O)O TS15194 [0,1,0,0,0,1|1,0,1]=4 1386 B9R1.6 C1CSCCC1C(=O)O TS89293 [0,1,0,0,0,1|1,0,1]=4 1387 B9R1.6 C1CSC[C@H](N1)C(=O)O TS07358 [0,1,0,0,0,1|1,0,1]=4 1388 B9R1.6 C1C[C@@H](CNC1)C(=O)O TS46667 [0,1,0,0,0,1|1,0,1]=4 1389 B9R1.6 C1C[C@H](CNC1)C(=O)O TS00308 [0,1,0,0,0,1|1,0,1]=4 1390 B9R1.6 C1C[C@H](CNC1)C(=O)O TS59489 [0,1,0,0,0,1|1,0,1]=4 1391 B9R1.6 CC(C)C1CNCCN1 TS19165 [0,1,0,0,0,1|2,0,0]=4 1392 B9R1.6 CC(C)[C@@H]1CNCCN1 TS19167 [0,1,0,0,0,1|2,0,0]=4 1393 B9R1.6 CC(C)[C@H]1CNCCN1 TS36350 [0,1,0,0,0,1|2,0,0]=4 1394 B9R1.6 CC(C1CCCCC1)O TS36346 [0,1,0,0,0,1|1,0,0]=3 1395 B9R1.6 C[C@@H](C1CCCCC1)N TS36257 [0,1,0,0,0,1|2,0,0]=4 1396 B9R1.6 C[C@H](C1CCCCC1)N TS36259 [0,1,0,0,0,1|2,0,0]=4 1397 B9R1.8 C#CCC1CCCCC1 TS32527 [0,1,0,0,0,1|2,0,0]=4 1398 B9R1.8 C1CC(CNC1)CCN TS19166 [0,1,0,0,0,1|2,0,0]=4 1399 B9R1.8 C1CC(CNC1)CCO TS32945 [0,1,0,0,0,1|1,0,0]=3 1400 B9R1.8 C1CCC(CC1)CC#N TS34561 [0,1,0,0,0,1|2,0,0]=4 1401 B9R1.8 C1CCC(CC1)CCBr TS17234 [0,1,0,0,0,1|2,0,0]=4 1402 B9R1.8 C1CCC(CC1)CCN TS11778 [0,1,0,0,0,1|2,0,0]=4 1403 B9R1.8 C1CCC(CC1)CCN TS36254 [0,1,0,0,0,1|2,0,0]=4 1404 B9R1.8 C1CCC(CC1)CNN TS11969 [0,1,0,0,0,1|2,0,0]=4 1405 B9R1.8 C1CCC(CC1)CNN TS36365 [0,1,0,0,0,1|2,0,0]=4 1406 B9R1.8 C1CCC(CC1)CON TS05475 [0,1,0,0,0,1|1,0,0]=3 1407 B9R1.8 C1CCN(CC1)CCO TS05482 [0,1,0,0,0,1|2,0,0]=4 1408 B9R1.8 C1CCNC(C1)CCCl TS15228 [0,1,0,0,0,1|2,0,0]=4 1409 B9R1.8 C1CCNC(C1)CCN TS19169 [0,1,0,0,0,1|2,0,0]=4 1410 B9R1.8 C1CCNC(C1)CCO TS02459 [0,1,0,0,0,1|1,0,0]=3 1411 B9R1.8 C1CCOC(C1)CCN TS05479 [0,1,0,0,0,1|1,0,0]=3 1412 B9R1.8 C1CN(CCN1)CCO TS56335 [0,1,0,0,0,1|2,0,0]=4 1413 B9R1.8 C1CNCCC1CCO TS71281 [0,1,0,0,0,1|1,0,0]=3 1414 B9R1.8 C1CN[C@H](CN1)CCO TS19527 [0,1,0,0,0,1|1,0,0]=3 1415 B9R1.8 C1COC(OC1)CCBr TS17995 [0,1,0,0,0,1|1,0,0]=3 1416 B9R1.8 C1COCCC1CC#N TS36059 [0,1,0,0,0,1|2,0,0]=4 1417 B9R1.8 C1COCCC1CC=O TS88204 [0,1,0,0,0,1|1,0,1]=4 1418 B9R1.8 C1COCCC1CCBr TS70729 [0,1,0,0,0,1|2,0,0]=4 1419 B9R1.8 C1COCCC1CCN TS09523 [0,1,0,0,0,1|2,0,0]=4 1420 B9R1.8 C1COCCC1CCN TS12114 [0,1,0,0,0,1|2,0,0]=4 1421 B9R1.8 C1COCCC1CCO TS60058 [0,1,0,0,0,1|1,0,0]=3 1422 B9R1.8 C1COCCN1CCO TS36591 [0,1,0,0,0,1|2,0,0]=4 1423 B9R1.8 C1CSCCN1CCO TS23011 [0,1,0,0,0,1|2,0,0]=4 1424 B9R1.8 C=CCC1CCCCC1 TS05041 [0,1,0,0,0,1|2,0,0]=4 1425 B9R1.8 C=CCC1CCCCC1 TS15012 [0,1,0,0,0,1|2,0,0]=4 1426 B9R1.8 CCCC1CCCCC1 TS36184 [0,1,0,0,0,1|2,0,0]=4 1427 B9R1.8 CCCC1CCCCN1 TS02180 [0,1,0,0,0,1|2,0,0]=4 1428 B9R1.8 CCCC1CCCCN1 TS11779 [0,1,0,0,0,1|2,0,0]=4 1429 B9R1.8 CCCC1CCCCO1 TS05388 [0,1,0,0,0,1|1,0,0]=3 1430 B9R1.8 CCCC1CCNCC1 TS11777 [0,1,0,0,0,1|2,0,0]=4 1431 B9R1.8 CCCC1CCNCC1 TS36258 [0,1,0,0,0,1|2,0,0]=4 1432 B9R1.8 CCNC1CCCCC1 TS36260 [0,1,0,0,0,1|2,0,0]=4 1433 B9R1.8 CCNC1CCOCC1 TS05478 [0,1,0,0,0,1|2,0,0]=4 1434 B9R1.8 CCOC1CCC=CO1 TS36292 [0,1,0,0,0,1|1,0,1]=4 1435 B9R1.8 CCOC1CCNCC1 TS12113 [0,1,0,0,0,1|2,0,0]=4 1436 B9R1.8 CCOC1CCNCC1 TS16668 [0,1,0,0,0,1|2,0,0]=4 1437 B9R1.8 CNCC1CCCCO1 TS36422 [0,1,0,0,0,1|1,0,0]=3 1438 B9R1.8 CNCC1CCNCC1 TS36354 [0,1,0,0,0,1|2,0,0]=4 1439 B9R1.8 CNCC1CCOCC1 TS60138 [0,1,0,0,0,1|2,0,0]=4 1440 B9R1.8 CNCC1CNCCO1 TS36521 [0,1,0,0,0,1|1,0,0]=3 1441 B9R1.8 CNCC1COCCO1 TS05656 [0,1,0,0,0,1|1,0,0]=3 1442 B9R1.8 COCC1CCNCC1 TS05477 [0,1,0,0,0,1|1,0,0]=3 1443 B9R1.8 COCC1CCNCC1 TS87684 [0,1,0,0,0,1|1,0,0]=3 1444 B9R1.8 COC[C@@H]1CCCCN1 TS85176 [0,1,0,0,0,1|1,0,0]=3 1445 B9R1.15 C1C=CC[C@@H]([C@@H]1CO)N TS11772 [0,1,0,0,0,1|1,0,1]=4 1446 B9R1.15 C1CCC(C(C1)CN)N TS05401 [0,1,0,0,0,1|2,0,0]=4 1447 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O TS59456 [0,1,0,0,0,1|2,0,0]=4 1448 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N TS12117 [0,1,0,0,0,1|1,0,0]=3 1449 B9R1.15 C1CC[C@H]([C@H](C1)CN)O TS12116 [0,1,0,0,0,1|2,0,0]=4 1450 B9R1.15 C1CC[C@H]([C@H](C1)CO)N TS12118 [0,1,0,0,0,1|1,0,0]=3 1451 B9R1.15 C1CNC[C@@H]([C@@H]1CN)O TS92768 [0,1,0,0,0,1|2,0,0]=4 1452 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O TS92509 [0,1,0,0,0,1|1,0,0]=3 1453 B9R1.15 C1CNC[C@@H]([C@H]1CO)O TS92800 [0,1,0,0,0,1|1,0,0]=3 1454 B9R1.15 C1CNC[C@H]([C@@H]1CN)O TS92155 [0,1,0,0,0,1|2,0,0]=4 1455 B9R1.15 CC1CC=CCC1CO TS05187 [0,1,0,0,0,1|1,0,1]=4 1456 B9R1.15 CC[C@@H]1CCCC[C@@H]1C TS05230 [0,1,0,0,0,1|2,0,0]=4 1457 B9R1.15 CC[C@@H]1CCCC[C@H]1C TS05214 [0,1,0,0,0,1|2,0,0]=4 1458 B9R1.15 CN1CCCCC1CN TS05403 [0,1,0,0,0,1|2,0,0]=4 1459 B9R1.15 CN1CCCCC1CO TS46982 [0,1,0,0,0,1|1,0,0]=3 1460 B9R1.15 CO[C@@H]1COCC[C@@H]1N TS88723 [0,1,0,0,0,1|2,0,0]=4 1461 B9R1.15 CO[C@@H]1COCC[C@H]1N TS87211 [0,1,0,0,0,1|2,0,0]=4 1462 B9R1.118 C1CC(CNC1)(CO)O TS92891 [0,1,0,0,0,1|1,0,0]=3 1463 B9R1.118 C1CCC(CC1)(CN)O TS05481 [0,1,0,0,0,1|2,0,0]=4 1464 B9R1.118 C1CCC(CC1)(CN)O TS12115 [0,1,0,0,0,1|2,0,0]=4 1465 B9R1.118 C1CCC(CC1)(CO)N TS12112 [0,1,0,0,0,1|1,0,0]=3 1466 B9R1.118 C1CCC(CC1)(CO)O TS05566 [0,1,0,0,0,1|1,0,0]=3 1467 B9R1.118 C1CNCCC1(CF)O TS91007 [0,1,0,0,0,1|2,0,0]=4 1468 B9R1.118 C1CNCCC1(CO)F TS90147 [0,1,0,0,0,1|1,0,0]=3 1469 B9R1.118 C1CNCCC1(CO)O TS90105 [0,1,0,0,0,1|1,0,0]=3 1470 B9R1.118 C1COCCC1(CN)N TS05570 [0,1,0,0,0,1|2,0,0]=4 1471 B9R1.118 C1COCCC1(CN)O TS22782 [0,1,0,0,0,1|2,0,0]=4 1472 B9R1.118 C1COCCC1(CO)F TS88298 [0,1,0,0,0,1|1,0,0]=3 1473 B9R1.118 C1COCCC1(CO)N TS89915 [0,1,0,0,0,1|1,0,0]=3 1474 B9R1.118 CC1(CCCNC1)CO TS87954 [0,1,0,0,0,1|1,0,0]=3 1475 B9R1.118 CC1(CCCNC1)CO TS90382 [0,1,0,0,0,1|1,0,0]=3 1476 B9R1.118 CC1(CCNCC1)CO TS90423 [0,1,0,0,0,1|1,0,0]=3 1477 B9R1.118 CC1(CCOCC1)CN TS91714 [0,1,0,0,0,1|2,0,0]=4 1478 B9R1.118 CC1(CCOCC1)CO TS90932 [0,1,0,0,0,1|1,0,0]=3 1479 B9R1.118 CC1(COCOC1)CO TS05727 [0,1,0,0,0,1|1,0,0]=3 1480 B9R1.118 CCC1(CCCCC1)C TS05220 [0,1,0,0,0,1|2,0,0]=4 1481 B9R1.118 CCC1(CCCCC1)O TS77179 [0,1,0,0,0,1|2,0,0]=4 1482 B9R1.118 CCC1(CCNCC1)C TS05288 [0,1,0,0,0,1|2,0,0]=4 1483 B9R1.118 CCC1(CCNCC1)O TS90132 [0,1,0,0,0,1|2,0,0]=4 1484 B9R1.7 CCCC1CCC(=O)O1 TS36311 [0,2,0,0,0,0|1,0,1]=4 1485 B9R1.7 CCCC1OCC(O1)C TS05559 [0,2,0,0,0,0|2,0,0]=4 1486 B9R1.7 CN1CCC(C1)CCO TS90139 [0,2,0,0,0,0|2,0,0]=4 1487 B9R1.7 COC[C@@H]1COC(=O)O1 TS36637 [0,2,0,0,0,0|1,0,1]=4 1488 B9R1.7 COC[C@H]1CNC(=O)O1 TS05647 [0,2,0,0,0,0|1,0,1]=4 1489 B9R1.7 COC[C@H]1COC(=O)O1 TS05704 [0,2,0,0,0,0|1,0,1]=4 1490 B9R1.21 C1CC(OC1CO)CO TS05735 [0,2,0,0,0,0|0,0,0]=2 1491 B9R1.21 C1C[C@H](O[C@H]1CO)CO TS05711 [0,2,0,0,0,0|0,0,0]=2 1492 B9R1.21 CCC1CCC(O1)CC TS36341 [0,2,0,0,0,0|1,0,0]=3 1493 B9R1.21 COC1CCC(O1)OC TS39632 [0,2,0,0,0,0|2,0,0]=4 1494 B9R1.22 CN1C[C@@H](C[C@H]1CO)O TS12448 [0,2,0,0,0,0|1,0,0]=3 1495 B9R1.23 CN1C[C@@H](OC1=O)CO TS05636 [0,2,0,0,0,0|1,0,1]=4 1496 B9R1.35 C1C(OC(S1)C(=O)O)O TS09846 [0,2,0,0,0,0|1,0,1]=4 1497 B9R1.35 C1CC(=O)O[C@@H]1C(=O)O TS59548 [0,2,0,0,0,0|0,0,2]=4 1498 B9R1.35 C1CC(CC1C(=O)O)N TS39702 [0,2,0,0,0,0|1,0,1]=4 1499 B9R1.35 C1C[C@@H](C[C@H]1C(=O)O)O TS36473 [0,2,0,0,0,0|1,0,1]=4 1500 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N TS08777 [0,2,0,0,0,0|1,0,1]=4 1501 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N TS92868 [0,2,0,0,0,0|1,0,1]=4 1502 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N TS92542 [0,2,0,0,0,0|1,0,1]=4 1503 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)Br TS46524 [0,2,0,0,0,0|1,0,1]=4 1504 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F TS46525 [0,2,0,0,0,0|1,0,1]=4 1505 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)N TS46523 [0,2,0,0,0,0|1,0,1]=4 1506 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S TS85743 [0,2,0,0,0,0|1,0,1]=4 1507 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)F TS08009 [0,2,0,0,0,0|1,0,1]=4 1508 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)Br TS46521 [0,2,0,0,0,0|1,0,1]=4 1509 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F TS01733 [0,2,0,0,0,0|1,0,1]=4 1510 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)N TS46520 [0,2,0,0,0,0|1,0,1]=4 1511 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O TS01525 [0,2,0,0,0,0|1,0,1]=4 1512 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O TS05455 [0,2,0,0,0,0|1,0,1]=4 1513 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O TS36399 [0,2,0,0,0,0|1,0,1]=4 1514 B9R1.133 C1CC(CC1CN)(F)F TS87541 [0,2,0,0,0,0|2,0,0]=4 1515 B9R1.133 C1CC(CC1CO)(F)F TS90606 [0,2,0,0,0,0|1,0,0]=3 1516 B9R1.133 C1CC(C[C@@H]1CN)(F)F TS92719 [0,2,0,0,0,0|2,0,0]=4 1517 B9R1.133 C1CC(C[C@@H]1CO)(F)F TS92458 [0,2,0,0,0,0|1,0,0]=3 1518 B9R1.133 C1CC(C[C@H]1CN)(F)F TS92305 [0,2,0,0,0,0|2,0,0]=4 1519 B9R1.133 C1CC(C[C@H]1CO)(F)F TS92175 [0,2,0,0,0,0|1,0,0]=3 1520 B9R1.133 C1[C@@H](NCC1(F)F)CO TS91860 [0,2,0,0,0,0|1,0,0]=3 1521 B9R1.133 C1[C@H](NCC1(F)F)CO TS91964 [0,2,0,0,0,0|1,0,0]=3 1522 B9R1.133 CC1(OCC(O1)CCl)C TS09967 [0,2,0,0,0,0|2,0,0]=4 1523 B9R1.133 CC1(OCC(O1)CO)C TS39420 [0,2,0,0,0,0|1,0,0]=3 1524 B9R1.133 CC1(OC[C@@H](O1)CBr)C TS51946 [0,2,0,0,0,0|2,0,0]=4 1525 B9R1.133 CC1(OC[C@@H](O1)CCl)C TS09972 [0,2,0,0,0,0|2,0,0]=4 1526 B9R1.133 CC1(OC[C@@H](O1)CI)C TS26788 [0,2,0,0,0,0|2,0,0]=4 1527 B9R1.133 CC1(OC[C@H](O1)CBr)C TS17996 [0,2,0,0,0,0|2,0,0]=4 1528 B9R1.133 CC1(OC[C@H](O1)CCl)C TS08100 [0,2,0,0,0,0|2,0,0]=4 1529 B9R1.133 CC1(OC[C@H](O1)CI)C TS26786 [0,2,0,0,0,0|2,0,0]=4 1530 B9R1.133 CC1(OC[C@H](O1)CN)C TS36589 [0,2,0,0,0,0|2,0,0]=4 1531 B9R1.133 CC1(OC[C@H](O1)CO)C TS59563 [0,2,0,0,0,0|1,0,0]=3 1532 B9R1.11 C1CC(OC1)C(=O)NN TS36475 [0,2,0,0,0,0|0,0,2]=4 1533 B9R1.11 C=CC(C1CCCC1)O TS36149 [0,2,0,0,0,0|1,0,0]=3 1534 B9R1.11 COC(=O)C1CCCC1 TS05351 [0,2,0,0,0,0|1,0,1]=4 1535 B9R1.11 COC(=O)C1CCCN1 TS42981 [0,2,0,0,0,0|1,0,1]=4 1536 B9R1.11 COC(=O)C1CCCO1 TS02300 [0,2,0,0,0,0|0,0,1]=3 1537 B9R1.11 COC(=O)[C@@H]1CCCN1 TS42969 [0,2,0,0,0,0|1,0,1]=4 1538 B9R1.11 COC(=O)[C@H]1CCCN1 TS42971 [0,2,0,0,0,0|1,0,1]=4 1539 B9R1.19 CC(C)(C)C1CCCC1 TS26804 [0,2,0,0,0,0|2,0,0]=4 1540 B9R1.19 CC(C)(C)C1CCCC1 TS61565 [0,2,0,0,0,0|2,0,0]=4 1541 B9R1.19 CC(C)(C)C1CCCC1 TS66425 [0,2,0,0,0,0|2,0,0]=4 1542 B9R1.19 CC(C)(C)C1CCCC1 TS79704 [0,2,0,0,0,0|2,0,0]=4 1543 B9R1.19 CC(C)(C)C1CCCC1 TS81232 [0,2,0,0,0,0|2,0,0]=4 1544 B9R1.19 CC(C)(C)C1CCCC1 TS82409 [0,2,0,0,0,0|2,0,0]=4 1545 B9R1.19 CC(C)(C)C1CCCC1 TS83129 [0,2,0,0,0,0|2,0,0]=4 1546 B9R1.19 CC(C)(C1CCNC1)O TS89798 [0,2,0,0,0,0|2,0,0]=4 1547 B9R1.19 CC(C)([C@@H]1CCNC1)O TS85826 [0,2,0,0,0,0|2,0,0]=4 1548 B9R1.19 CC(C)([C@H]1CCNC1)O TS86837 [0,2,0,0,0,0|2,0,0]=4 1549 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O TS59460 [0,2,0,0,0,0|1,0,1]=4 1550 B9R1.41 C1CN[C@H]([C@H]1O)C(=O)O TS05633 [0,2,0,0,0,0|1,0,1]=4 1551 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS36408 [0,2,0,0,0,0|1,0,1]=4 1552 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS85102 [0,2,0,0,0,0|1,0,1]=4 1553 B9R1.41 CN1CCC[C@H]1C(=O)O TS01601 [0,2,0,0,0,0|1,0,1]=4 1554 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O TS46518 [0,2,0,0,0,0|1,0,1]=4 1555 B9R1.163 C1CCC(C1)(C(=O)O)N TS46849 [0,2,0,0,0,0|1,0,1]=4 1556 B9R1.163 CC1(CCCC1)C(=O)O TS36307 [0,2,0,0,0,0|1,0,1]=4 1557 B9R1.163 C[C@@]1(CCCN1)C(=O)O TS87578 [0,2,0,0,0,0|1,0,1]=4 1558 B9R1.163 C[C@]1(CCCN1)C(=O)O TS36416 [0,2,0,0,0,0|1,0,1]=4 1559 B9R1.163 C[C@]1(CCCN1)C(=O)O TS91531 [0,2,0,0,0,0|1,0,1]=4 1560 B9R1.12 C1CC(OC1)CN=C=S TS02181 [0,2,0,0,0,0|0,1,0]=3 1561 B9R1.12 C1CCN(C1)CCCO TS36426 [0,2,0,0,0,0|2,0,0]=4 1562 B9R1.12 C1COC(O1)CCCCl TS09964 [0,2,0,0,0,0|2,0,0]=4 1563 B9R1.12 C=CCNC1CCCC1 TS05116 [0,2,0,0,0,0|2,0,0]=4 1564 B9R1.12 CCC=CC1CCCC1 TS05058 [0,2,0,0,0,0|2,0,0]=4 1565 B9R1.12 CCCCC1CCCC1 TS36178 [0,2,0,0,0,0|2,0,0]=4 1566 B9R1.12 CCCCC1CCCC1 TS61460 [0,2,0,0,0,0|2,0,0]=4 1567 B9R1.12 CCCCC1CCCC1 TS66426 [0,2,0,0,0,0|2,0,0]=4 1568 B9R1.12 CCCCC1CCCC1 TS71915 [0,2,0,0,0,0|2,0,0]=4 1569 B9R1.12 CCCCC1CCCC1 TS81233 [0,2,0,0,0,0|2,0,0]=4 1570 B9R1.12 CCCCC1CCCC1 TS81832 [0,2,0,0,0,0|2,0,0]=4 1571 B9R1.12 CCCCC1CCCC1 TS83585 [0,2,0,0,0,0|2,0,0]=4 1572 B9R1.12 CCOCC1CCCO1 TS36503 [0,2,0,0,0,0|0,0,0]=2 1573 B9R1.12 CNCCC1OCCO1 TS05654 [0,2,0,0,0,0|2,0,0]=4 1574 B9R1.12 [2H]COC[C@@H]1CCCN1 TS32170 [0,2,0,0,0,0|1,0,0]=3 1575 B9R1.13 C1CCC(C1)CC(=O)Cl TS07289 [0,2,0,0,0,0|1,0,1]=4 1576 B9R1.13 C1CCC(C1)CC(=O)O TS27085 [0,2,0,0,0,0|1,0,0]=3 1577 B9R1.13 C1CNCC1CC(=O)O TS86561 [0,2,0,0,0,0|2,0,0]=4 1578 B9R1.13 C1CNC[C@@H]1CC(=O)O TS91621 [0,2,0,0,0,0|2,0,0]=4 1579 B9R1.13 C1CNC[C@H]1CC(=O)O TS88661 [0,2,0,0,0,0|2,0,0]=4 1580 B9R1.13 C1C[C@@H](NC1)CC(=O)O TS91258 [0,2,0,0,0,0|1,0,0]=3 1581 B9R1.13 C1C[C@H](NC1)CC(=O)O TS36411 [0,2,0,0,0,0|1,0,0]=3 1582 B9R1.13 CC(=O)CC1CCCC1 TS05185 [0,2,0,0,0,0|1,0,1]=4 1583 B9R1.13 CC(C)CC1CCCC1 TS05219 [0,2,0,0,0,0|2,0,0]=4 1584 B9R1.13 CC(C)CC1CCCC1 TS81235 [0,2,0,0,0,0|2,0,0]=4 1585 B9R1.13 CN(C)CC1CCCC1 TS26984 [0,2,0,0,0,0|2,0,0]=4 1586 B9R1.13 CN(C)CC1CCCN1 TS36361 [0,2,0,0,0,0|2,0,0]=4 1587 B9R1.13 CN(C)C[C@@H]1CCCN1 TS90021 [0,2,0,0,0,0|2,0,0]=4 1588 B9R1.13 CN(C)C[C@H]1CCCN1 TS87920 [0,2,0,0,0,0|2,0,0]=4 1589 B9R1.33 C1CC(=O)N(C1)CCO TS36418 [0,2,0,0,0,0|2,0,0]=4 1590 B9R1.33 CN1CCCC1CCCl TS16660 [0,2,0,0,0,0|2,0,0]=4 1591 B9R1.33 CN1CCCC1CCN TS39234 [0,2,0,0,0,0|2,0,0]=4 1592 B9R1.33 CN1CCCC1CCO TS16652 [0,2,0,0,0,0|1,0,0]=3 1593 B9R1.33 CN1CCC[C@@H]1CCN TS91267 [0,2,0,0,0,0|2,0,0]=4 1594 B9R1.33 CN1CCC[C@H]1CCN TS90742 [0,2,0,0,0,0|2,0,0]=4 1595 B9R1.33 COC[C@@H]1CCCN1N TS59859 [0,2,0,0,0,0|1,0,0]=3 1596 B9R1.33 COC[C@H]1CCCN1N TS36519 [0,2,0,0,0,0|1,0,0]=3 1597 B9R1.134 CC1(OCCO1)CCBr TS51951 [0,2,0,0,0,0|2,0,0]=4 1598 B9R1.134 CCCC1(CCCC1)O TS36336 [0,2,0,0,0,0|2,0,0]=4 1599 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO TS36588 [0,2,0,0,0,0|2,0,0]=4 1600 B9R1.14 CCN1CCCC1CN TS87964 [0,2,0,0,0,0|2,0,0]=4 1601 B9R1.14 CCN1CCC[C@@H]1CN TS46580 [0,2,0,0,0,0|2,0,0]=4 1602 B9R1.14 CC[C@@H]1CCC[C@H]1CC TS05207 [0,2,0,0,0,0|2,0,0]=4 1603 B9R1.204 C1CCC(C1)(CO)CO TS05556 [0,2,0,0,0,0|1,0,0]=3 1604 B7R1.3 C1C(COCO1)O TS31668 [0,0,1,1,0,0|1,0,0]=3 1605 B7R1.3 C1CC(=O)COC1 TS22954 [0,0,1,1,0,0|0,0,2]=4 1606 B7R1.3 C1CC(=O)COC1 TS89862 [0,0,1,1,0,0|0,0,2]=4 1607 B7R1.3 C1CC(CC=C1)O TS31422 [0,0,1,1,0,0|1,0,1]=4 1608 B7R1.3 C1CC(CNC1)Br TS09491 [0,0,1,1,0,0|2,0,0]=4 1609 B7R1.3 C1CC(CNC1)Br TS42661 [0,0,1,1,0,0|2,0,0]=4 1610 B7R1.3 C1CC(CNC1)Cl TS41570 [0,0,1,1,0,0|2,0,0]=4 1611 B7R1.3 C1CC(CNC1)F TS37316 [0,0,1,1,0,0|2,0,0]=4 1612 B7R1.3 C1CC(CNC1)N TS02666 [0,0,1,1,0,0|2,0,0]=4 1613 B7R1.3 C1CC(CNC1)O TS02796 [0,0,1,1,0,0|1,0,0]=3 1614 B7R1.3 C1CC(CNC1)O TS16254 [0,0,1,1,0,0|1,0,0]=3 1615 B7R1.3 C1CC(CNC1)O TS28091 [0,0,1,1,0,0|1,0,0]=3 1616 B7R1.3 C1CC(CNC1)S TS91720 [0,0,1,1,0,0|1,1,0]=4 1617 B7R1.3 C1CC(COC1)Br TS42847 [0,0,1,1,0,0|1,0,0]=3 1618 B7R1.3 C1CC(COC1)I TS44102 [0,0,1,1,0,0|1,0,0]=3 1619 B7R1.3 C1CC(COC1)N TS39962 [0,0,1,1,0,0|1,0,0]=3 1620 B7R1.3 C1CC(COC1)N TS90719 [0,0,1,1,0,0|1,0,0]=3 1621 B7R1.3 C1CC(COC1)O TS59831 [0,0,1,1,0,0|0,0,0]=2 1622 B7R1.3 C1CC=CC(C1)O TS59964 [0,0,1,1,0,0|1,0,1]=4 1623 B7R1.3 C1CCC(CC1)Br TS33231 [0,0,1,1,0,0|2,0,0]=4 1624 B7R1.3 C1CCC(CC1)Cl TS39830 [0,0,1,1,0,0|2,0,0]=4 1625 B7R1.3 C1CCC(CC1)F TS31606 [0,0,1,1,0,0|2,0,0]=4 1626 B7R1.3 C1CCC(CC1)I TS43723 [0,0,1,1,0,0|2,0,0]=4 1627 B7R1.3 C1CCC(CC1)N TS03833 [0,0,1,1,0,0|2,0,0]=4 1628 B7R1.3 C1CCC(CC1)N TS06026 [0,0,1,1,0,0|2,0,0]=4 1629 B7R1.3 C1CCC(CC1)N TS14508 [0,0,1,1,0,0|2,0,0]=4 1630 B7R1.3 C1CCC(CC1)N TS18426 [0,0,1,1,0,0|2,0,0]=4 1631 B7R1.3 C1CCC(CC1)O TS31506 [0,0,1,1,0,0|1,0,0]=3 1632 B7R1.3 C1CCC(CC1)P TS04576 [0,0,1,1,0,0|2,0,0]=4 1633 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [0,0,1,1,0,0|2,0,0]=4 1634 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [0,0,1,1,0,0|2,0,0]=4 1635 B7R1.3 C1CCN(CC1)O TS31559 [0,0,1,1,0,0|2,0,0]=4 1636 B7R1.3 C1CCNC(C1)O TS03900 [0,0,1,1,0,0|2,0,0]=4 1637 B7R1.3 C1CCOC(C1)O TS31590 [0,0,1,1,0,0|2,0,0]=4 1638 B7R1.3 C1CNCCC1O TS37141 [0,0,1,1,0,0|2,0,0]=4 1639 B7R1.3 C1CNCCC1O TS71282 [0,0,1,1,0,0|2,0,0]=4 1640 B7R1.3 C1COC(=O)CO1 TS31576 [0,0,1,1,0,0|1,0,1]=4 1641 B7R1.3 C1COCCC1O TS59433 [0,0,1,1,0,0|2,0,0]=4 1642 B7R1.3 C1COCCC1O TS85905 [0,0,1,1,0,0|2,0,0]=4 1643 B7R1.3 C1CSCCC1O TS59441 [0,0,1,1,0,0|2,0,0]=4 1644 B7R1.3 C1C[C@@H](CNC1)F TS89045 [0,0,1,1,0,0|2,0,0]=4 1645 B7R1.3 C1C[C@@H](CNC1)N TS03872 [0,0,1,1,0,0|2,0,0]=4 1646 B7R1.3 C1C[C@@H](CNC1)O TS46664 [0,0,1,1,0,0|1,0,0]=3 1647 B7R1.3 C1C[C@H](CNC1)F TS92720 [0,0,1,1,0,0|2,0,0]=4 1648 B7R1.3 C1C[C@H](CNC1)N TS93699 [0,0,1,1,0,0|2,0,0]=4 1649 B7R1.3 C1C[C@H](CNC1)O TS88232 [0,0,1,1,0,0|1,0,0]=3 1650 B7R1.3 C1C[C@H](CNC1)O TS89282 [0,0,1,1,0,0|1,0,0]=3 1651 B7R1.3 CC1CCCCC1 TS02317 [0,0,1,1,0,0|2,0,0]=4 1652 B7R1.3 CC1CCCCO1 TS31512 [0,0,1,1,0,0|1,0,0]=3 1653 B7R1.3 CC1CCCNC1 TS70672 [0,0,1,1,0,0|2,0,0]=4 1654 B7R1.3 CC1CCOCO1 TS03947 [0,0,1,1,0,0|2,0,0]=4 1655 B7R1.3 CC1CNCCO1 TS02170 [0,0,1,1,0,0|1,0,0]=3 1656 B7R1.3 C[C@@H]1CCCCN1 TS03835 [0,0,1,1,0,0|2,0,0]=4 1657 B7R1.3 C[C@@H]1CNCCN1 TS08073 [0,0,1,1,0,0|2,0,0]=4 1658 B7R1.3 C[C@@H]1CNCCO1 TS03899 [0,0,1,1,0,0|1,0,0]=3 1659 B7R1.3 C[C@@H]1CNCCO1 TS08072 [0,0,1,1,0,0|1,0,0]=3 1660 B7R1.3 C[C@@H]1COCCN1 TS01972 [0,0,1,1,0,0|1,0,0]=3 1661 B7R1.3 C[C@H]1CNCCN1 TS06145 [0,0,1,1,0,0|2,0,0]=4 1662 B7R1.3 C[C@H]1CNCCN1 TS22969 [0,0,1,1,0,0|2,0,0]=4 1663 B7R1.3 C[C@H]1CNCCN1 TS45580 [0,0,1,1,0,0|2,0,0]=4 1664 B7R1.3 C[C@H]1CNCCO1 TS89643 [0,0,1,1,0,0|1,0,0]=3 1665 B7R1.3 C[C@H]1COCCN1 TS46666 [0,0,1,1,0,0|1,0,0]=3 1666 B7R1.21 CCCC1(CO1)C TS03866 [0,0,1,1,0,0|1,0,0]=3 1667 B7R1.21 CCOC1(CC1)Br TS42848 [0,0,1,1,0,0|2,0,0]=4 1668 B7R1.22 CCC(C)C1CC1 TS03799 [0,0,1,1,0,0|2,0,0]=4 1669 B7R1.7 C1CC1OCCCl TS46506 [0,0,1,1,0,0|1,0,0]=3 1670 B7R1.7 CCCCC1CO1 TS31525 [0,0,1,1,0,0|1,0,0]=3 1671 B7R1.7 CCCC[C@@H]1CO1 TS31508 [0,0,1,1,0,0|1,0,0]=3 1672 B7R1.7 CCOCC1CO1 TS03943 [0,0,1,1,0,0|2,0,0]=4 1673 B7R1.24 C1CCC=CCC1 TS31384 [0,0,1,1,0,0|2,0,0]=4 1674 B7R1.24 C1CCCCCC1 TS03793 [0,0,1,1,0,0|2,0,0]=4 1675 B7R1.24 C1CCCNCC1 TS39804 [0,0,1,1,0,0|2,0,0]=4 1676 B7R1.24 C1CCCOCC1 TS31519 [0,0,1,1,0,0|1,0,0]=3 1677 B7R1.24 C1CCCSCC1 TS04639 [0,0,1,1,0,0|1,1,0]=4 1678 B7R1.24 C1CCOCOC1 TS03952 [0,0,1,1,0,0|2,0,0]=4 1679 B7R1.24 C1CNCCNC1 TS08536 [0,0,1,1,0,0|2,0,0]=4 1680 B7R1.24 C1CNCCOC1 TS02067 [0,0,1,1,0,0|1,0,0]=3 1681 B7R1.29 C1CC1(CO)CO TS34597 [0,0,1,1,0,0|2,0,0]=4 1682 B7R1.29 CCC1(CC1)CC TS03796 [0,0,1,1,0,0|2,0,0]=4 1683 B7R2.13 C1C2C(O2)CO1 TS65746 [1,0,0,1,0,0|2,0,0]=4 1684 B7R2.13 C1C2C1CNC2 TS86763 [1,0,0,1,0,0|2,0,0]=4 1685 B7R2.13 C1CC2C(C1)O2 TS55825 [1,0,0,1,0,0|1,0,0]=3 1686 B7R2.13 C1CNC2C1C2 TS90381 [1,0,0,1,0,0|1,0,0]=3 1687 B9R2.49 C1CC2CCC1CC2 TS04220 [0,0,0,1,0,1|2,0,0]=4 1688 B9R2.49 C1CC2CCC1CN2 TS92202 [0,0,0,1,0,1|2,0,0]=4 1689 B9R2.49 C1CC2COC1CN2 TS92395 [0,0,0,1,0,1|1,0,0]=3 1690 B9R2.49 C1CN2CCC1CC2 TS07396 [0,0,0,1,0,1|2,0,0]=4 1691 B9R2.49 C1CN2CCC1CC2 TS64947 [0,0,0,1,0,1|2,0,0]=4 1692 B9R2.49 C1[C@H]2C=C[C@@H](C1)CC2 TS04145 [0,0,0,1,0,1|2,0,0]=4 1693 B9R2.50 C1CC2C(CN2)NC1 TS89797 [0,0,0,1,0,1|2,0,0]=4 1694 B9R2.50 C1CN2C1CNCC2 TS90575 [0,0,0,1,0,1|2,0,0]=4 1695 B9R2.53 C1C2CNCC1C2O TS89822 [0,0,0,1,0,1|1,0,0]=3 1696 B9R2.53 C1C2CNCC1C2O TS92105 [0,0,0,1,0,1|1,0,0]=3 1697 B9R2.56 C1C2C1(CNC2)CO TS92082 [0,0,0,1,0,1|1,0,0]=3 1698 B9R2.65 C1[C@@H]2[C@@H]([C@H]2CO)CN1 TS32018 [0,0,0,1,0,1|1,0,0]=3 1699 B9R2.68 C1CC2CC1CC=C2 TS04150 [0,0,0,1,0,1|2,0,0]=4 1700 B9R2.68 C1CC2CCC(C1)N2 TS86792 [0,0,0,1,0,1|2,0,0]=4 1701 B9R2.68 C1CC2CNCC1O2 TS01870 [0,0,0,1,0,1|1,0,0]=3 1702 B9R2.68 C1CC2CNCC1O2 TS92827 [0,0,0,1,0,1|1,0,0]=3 1703 B9R2.68 C1CC2COCC1N2 TS85846 [0,0,0,1,0,1|2,0,0]=4 1704 B9R2.68 C1CN2CCNC1C2 TS92204 [0,0,0,1,0,1|2,0,0]=4 1705 B9R2.68 C1CN2CCN[C@@H]1C2 TS91456 [0,0,0,1,0,1|2,0,0]=4 1706 B9R2.68 C1CN2CCN[C@H]1C2 TS91976 [0,0,0,1,0,1|2,0,0]=4 1707 B9R2.70 C1[C@H]2[C@@H]1[C@H](NC2)CO TS86407 [0,0,0,1,0,1|1,0,0]=3 1708 B9R2.174 C1CC12CCNCC2 TS86472 [0,0,0,1,0,1|2,0,0]=4 1709 B9R2.174 C1CC12CNCCN2 TS86270 [0,0,0,1,0,1|2,0,0]=4 1710 B9R2.174 C1CC12CNCCN2 TS91413 [0,0,0,1,0,1|2,0,0]=4 1711 B9R2.174 C1CCC2(CC1)CC2 TS04222 [0,0,0,1,0,1|2,0,0]=4 1712 B9R2.174 C1CCC2(CC1)CO2 TS31948 [0,0,0,1,0,1|1,0,0]=3 1713 B9R2.39 C1C2CC(C1C=C2)O TS04201 [0,1,0,1,0,0|1,0,1]=4 1714 B9R2.39 C1C2CNC1C(=O)O2 TS04374 [0,1,0,1,0,0|1,0,1]=4 1715 B9R2.39 C1CC2CC1CC2O TS31924 [0,1,0,1,0,0|1,0,0]=3 1716 B9R2.39 C1C[C@@H]2C[C@H]1C[C@@H]2O TS31950 [0,1,0,1,0,0|1,0,0]=3 1717 B9R2.39 C1C[C@@H]2C[C@H]1C[C@H]2O TS31931 [0,1,0,1,0,0|1,0,0]=3 1718 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O TS92147 [0,1,0,1,0,0|1,0,0]=3 1719 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O TS91802 [0,1,0,1,0,0|1,0,0]=3 1720 B9R2.39 C1C[C@H]2C[C@@H]1CC2Cl TS36573 [0,1,0,1,0,0|2,0,0]=4 1721 B9R2.39 C1C[C@H]2C[C@@H]1C[C@@H]2Br TS13629 [0,1,0,1,0,0|2,0,0]=4 1722 B9R2.39 C1C[C@H]2C[C@@H]1C[C@H]2O TS31927 [0,1,0,1,0,0|1,0,0]=3 1723 B9R2.39 CN1CC2CC1CN2 TS04321 [0,1,0,1,0,0|2,0,0]=4 1724 B9R2.39 CN1CC2C[C@@H]1CN2 TS90938 [0,1,0,1,0,0|2,0,0]=4 1725 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 TS86927 [0,1,0,1,0,0|2,0,0]=4 1726 B9R2.3 C1CC2CCCC2C1 TS04223 [0,1,0,1,0,0|2,0,0]=4 1727 B9R2.3 C1CC2CNCC2C1 TS59333 [0,1,0,1,0,0|2,0,0]=4 1728 B9R2.3 C1COC2C1CNC2 TS89020 [0,1,0,1,0,0|1,0,0]=3 1729 B9R2.3 C1C[C@@H]2CC=C[C@@H]2C1 TS04149 [0,1,0,1,0,0|2,0,0]=4 1730 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 TS87054 [0,1,0,1,0,0|2,0,0]=4 1731 B9R2.173 C1CC2(C1)CCCN2 TS86401 [0,1,0,1,0,0|2,0,0]=4 1732 B9R2.173 C1CC2(CNC2)OC1 TS87587 [0,1,0,1,0,0|1,0,0]=3 1733 B9R2.173 C1CC2(COC2)NC1 TS87219 [0,1,0,1,0,0|1,0,0]=3 1734 B9R2.173 C1CCC2(C1)CCN2 TS86155 [0,1,0,1,0,0|2,0,0]=4 1735 B9R2.173 C1CCC2(C1)CNC2 TS88894 [0,1,0,1,0,0|2,0,0]=4 1736 B9R2.173 C1CNCC12CCO2 TS87184 [0,1,0,1,0,0|2,0,0]=4 1737 B9R2.173 C1CNCC12CCO2 TS92634 [0,1,0,1,0,0|2,0,0]=4 1738 B9R2.173 C1CNCC12COC2 TS87529 [0,1,0,1,0,0|2,0,0]=4 1739 B9R2.173 C1CNCC12COC2 TS92501 [0,1,0,1,0,0|2,0,0]=4 1740 B5R1.2 C1C(CN1)N TS88575 [1,0,0,0,1,0|2,0,0]=4 1741 B5R1.2 C1C(CN1)N TS92985 [1,0,0,0,1,0|2,0,0]=4 1742 B5R1.2 C1C(CN1)O TS00225 [1,0,0,0,1,0|1,0,0]=3 1743 B5R1.2 C1C(CN1)O TS65705 [1,0,0,0,1,0|1,0,0]=3 1744 B5R1.2 C1C(CN1)S TS87598 [1,0,0,0,1,0|1,1,0]=4 1745 B5R1.2 C1C(CO1)Br TS65955 [1,0,0,0,1,0|2,0,0]=4 1746 B5R1.2 C1C(CO1)Cl TS91374 [1,0,0,0,1,0|2,0,0]=4 1747 B5R1.2 C1C(CO1)I TS70631 [1,0,0,0,1,0|2,0,0]=4 1748 B5R1.2 C1C(CO1)N TS90822 [1,0,0,0,1,0|2,0,0]=4 1749 B5R1.2 C1C(CO1)O TS02791 [1,0,0,0,1,0|1,0,0]=3 1750 B5R1.2 C1C(CO1)S TS90997 [1,0,0,0,1,0|1,1,0]=4 1751 B5R1.2 C1C(CS1)N TS85859 [1,0,0,0,1,0|2,0,0]=4 1752 B5R1.2 C1CC(=O)C1 TS01399 [1,0,0,0,1,0|0,0,2]=4 1753 B5R1.2 C1CC(C1)Br TS36910 [1,0,0,0,1,0|1,0,0]=3 1754 B5R1.2 C1CC(C1)Cl TS03632 [1,0,0,0,1,0|1,0,0]=3 1755 B5R1.2 C1CC(C1)N TS03375 [1,0,0,0,1,0|1,0,0]=3 1756 B5R1.2 C1CC(C1)N TS04122 [1,0,0,0,1,0|1,0,0]=3 1757 B5R1.2 C1CC(C1)O TS59758 [1,0,0,0,1,0|0,0,0]=2 1758 B5R1.2 C1COC1=O TS71591 [1,0,0,0,1,0|0,0,2]=4 1759 B5R1.2 CC1CCN1 TS71588 [1,0,0,0,1,0|1,0,0]=3 1760 B5R1.3 C#CC1CC1 TS02742 [0,0,0,0,2,0|1,0,1]=4 1761 B5R1.3 C1C(O1)CBr TS06154 [0,0,0,0,2,0|1,0,0]=3 1762 B5R1.3 C1C(O1)CCl TS08941 [0,0,0,0,2,0|1,0,0]=3 1763 B5R1.3 C1C(O1)CCl TS94501 [0,0,0,0,2,0|1,0,0]=3 1764 B5R1.3 C1C(O1)CCl TS94502 [0,0,0,0,2,0|1,0,0]=3 1765 B5R1.3 C1C(O1)CF TS71640 [0,0,0,0,2,0|1,0,0]=3 1766 B5R1.3 C1C(O1)CO TS03389 [0,0,0,0,2,0|0,0,0]=2 1767 B5R1.3 C1CC1C#N TS16796 [0,0,0,0,2,0|1,0,1]=4 1768 B5R1.3 C1CC1C=O TS55830 [0,0,0,0,2,0|0,0,2]=4 1769 B5R1.3 C1CC1CBr TS46573 [0,0,0,0,2,0|1,0,0]=3 1770 B5R1.3 C1CC1CCl TS46576 [0,0,0,0,2,0|1,0,0]=3 1771 B5R1.3 C1CC1CN TS03376 [0,0,0,0,2,0|1,0,0]=3 1772 B5R1.3 C1CC1CN TS04123 [0,0,0,0,2,0|1,0,0]=3 1773 B5R1.3 C1CC1CO TS34565 [0,0,0,0,2,0|0,0,0]=2 1774 B5R1.3 C1CC1ON TS94064 [0,0,0,0,2,0|2,0,0]=4 1775 B5R1.3 C1CC1[Mg]Br TS59761 [0,0,0,0,2,0|2,0,0]=4 1776 B5R1.3 C1[C@@H](O1)CCl TS00305 [0,0,0,0,2,0|1,0,0]=3 1777 B5R1.3 C1[C@@H](O1)CO TS00321 [0,0,0,0,2,0|0,0,0]=2 1778 B5R1.3 C1[C@H](O1)CCl TS46636 [0,0,0,0,2,0|1,0,0]=3 1779 B5R1.3 C1[C@H](O1)CO TS01969 [0,0,0,0,2,0|0,0,0]=2 1780 B5R1.3 C=CC1CC1 TS02996 [0,0,0,0,2,0|1,0,1]=4 1781 B5R1.3 CCC1CC1 TS03362 [0,0,0,0,2,0|1,0,0]=3 1782 B5R1.3 CCC1CO1 TS71603 [0,0,0,0,2,0|1,0,0]=3 1783 B5R1.3 CC[C@@H]1CO1 TS71607 [0,0,0,0,2,0|1,0,0]=3 1784 B5R1.3 CC[C@H]1CO1 TS71606 [0,0,0,0,2,0|1,0,0]=3 1785 B5R1.3 CNC1CC1 TS87062 [0,0,0,0,2,0|2,0,0]=4 1786 B5R1.3 [C-]#[N+]C1CC1 TS02923 [0,0,0,0,2,0|2,0,0]=4 1787 B9R1.89 C1CCCC(CC1)CI TS26149 [0,0,0,0,0,2|2,0,0]=4 1788 B9R1.89 C1CCCC(CC1)CN TS01403 [0,0,0,0,0,2|2,0,0]=4 1789 B9R1.89 C1CCCC(CC1)CO TS05384 [0,0,0,0,0,2|1,0,0]=3