0 B5R0.5 C=C(C)C(=O)Cl HR138689 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 C=C(C)C(=O)[O-] HR113778 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.5 C=C(C)C(=O)[O-] HR114122 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.5 C=C(C)C(=O)[O-] HR121033 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.5 C=C(C)C(=O)[O-] HR122305 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.5 C=C(C)C(=O)[O-] HR125115 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.5 C=C(C)C(=O)[O-] HR135365 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.5 C=C(C)C(N)=O HR124465 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.5 C=C(Cl)C(=O)O HR132918 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.5 C=C(Cl)C(=O)[O-] HR118858 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.5 C=C(N)C(=O)O HR106545 [0,0,0,0,0,0|0,0,2]=2 11 B5R0.5 CC(=O)C(=O)O HR137803 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.5 CC(=O)C(=O)[O-] HR112958 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.5 CC(=O)C(=O)[O-] HR125137 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.5 CC(=O)C(=O)[O-] HR130480 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.5 CC(=O)C(=O)[O-] HR132795 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.5 CC(=O)C(C)=O HR147207 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.5 CC(=O)C(C)Br HR130439 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.5 CC(=O)C(C)C HR147367 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.5 CC(=O)C(C)Cl HR132014 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.5 CC(=O)C(C)S HR123296 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.5 CC(=O)N(C)C HR128416 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.5 CC(Br)C(=O)Cl HR136180 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.5 CC(Br)C(=O)O HR118834 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.5 CC(Br)C(=O)O HR119145 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.5 CC(C)B(O)O HR125100 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.5 CC(C)C(=N)N HR121738 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.5 CC(C)C(=O)Cl DAJL01406 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.5 CC(C)C(C)N HR121679 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.5 CC(C)C(C)S HR123979 [0,0,0,0,0,0|2,1,1]=4 30 B5R0.5 CC(C)C(N)=O HR130010 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.5 CC(C)C(N)=S HR103461 [0,0,0,0,0,0|2,1,0]=3 32 B5R0.5 CC(C)N(C)C HR142079 [0,0,0,0,0,0|4,0,0]=4 33 B5R0.5 CC(Cl)C(=O)Cl HR127551 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.5 CC(Cl)C(=O)O HR133703 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.5 CC(Cl)C(=O)O HR5746 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.5 CC(F)C(=O)O HR125319 [0,0,0,0,0,0|1,0,0]=1 37 B5R0.5 CC(N)B(O)O HR32488 [0,0,0,0,0,0|1,0,1]=2 38 B5R0.5 CC(N)B(O)O HR32531 [0,0,0,0,0,0|1,0,1]=2 39 B5R0.5 CC(N)B(O)O HR32539 [0,0,0,0,0,0|1,0,1]=2 40 B5R0.5 CC(N)C(=O)O HR127064 [0,0,0,0,0,0|0,0,0]=0 41 B5R0.5 CC(N)C(=O)O HR128842 [0,0,0,0,0,0|0,0,0]=0 42 B5R0.5 CC(N)C(=O)O HR135609 [0,0,0,0,0,0|0,0,0]=0 43 B5R0.5 CC(N)C(=O)O HR143449 [0,0,0,0,0,0|0,0,0]=0 44 B5R0.5 CC(N)C(C)O HR115270 [0,0,0,0,0,0|1,0,1]=2 45 B5R0.5 CC(N)C(N)=O HR121426 [0,0,0,0,0,0|1,0,0]=1 46 B5R0.5 CC(N)C(N)=O RAXM01501 [0,0,0,0,0,0|1,0,0]=1 47 B5R0.5 CC(N)[13C](=O)O HR144974 [0,0,0,0,0,0|0,0,0]=0 48 B5R0.5 CC(O)C(=O)O HR122637 [0,0,0,0,0,0|1,0,0]=1 49 B5R0.5 CC(O)C(=O)O HR124397 [0,0,0,0,0,0|1,0,0]=1 50 B5R0.5 CC(O)C(=O)O HR137557 [0,0,0,0,0,0|1,0,0]=1 51 B5R0.5 CC(O)C(=O)[O-] HR101208 [0,0,0,0,0,0|1,0,1]=2 52 B5R0.5 CC(O)C(=O)[O-] HR124337 [0,0,0,0,0,0|1,0,1]=2 53 B5R0.5 CC(O)C(=O)[O-] HR125547 [0,0,0,0,0,0|1,0,1]=2 54 B5R0.5 CC(O)C(=O)[O-] HR126089 [0,0,0,0,0,0|1,0,1]=2 55 B5R0.5 CC(O)C(=O)[O-] HR127008 [0,0,0,0,0,0|1,0,1]=2 56 B5R0.5 CC(O)C(=O)[O-] HR127541 [0,0,0,0,0,0|1,0,1]=2 57 B5R0.5 CC(O)C(=O)[O-] HR127693 [0,0,0,0,0,0|1,0,1]=2 58 B5R0.5 CC(O)C(=O)[O-] HR132263 [0,0,0,0,0,0|1,0,1]=2 59 B5R0.5 CC(O)C(C)O HR128860 [0,0,0,0,0,0|2,0,1]=3 60 B5R0.5 CC(O)C(C)O HR129128 [0,0,0,0,0,0|2,0,1]=3 61 B5R0.5 CC(O)C(C)O HR130175 [0,0,0,0,0,0|2,0,1]=3 62 B5R0.5 CC(O)C(N)=O HR103895 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.5 CC(O)C(N)=O HR125386 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.5 CC(S)C(C)S HR129973 [0,0,0,0,0,0|2,1,1]=4 65 B5R0.5 CN(C)C(=N)N HR119808 [0,0,0,0,0,0|4,0,0]=4 66 B5R0.5 CN(C)C(=N)N HR141686 [0,0,0,0,0,0|4,0,0]=4 67 B5R0.5 CN(C)C(=S)Cl HR134613 [0,0,0,0,0,0|3,1,0]=4 68 B5R0.5 CN(C)C(=S)[S-] HR128944 [0,0,0,0,0,0|2,2,0]=4 69 B5R0.5 CN(C)C(=S)[S-] HR135353 [0,0,0,0,0,0|2,2,0]=4 70 B5R0.5 CN(C)C(N)=O HR126485 [0,0,0,0,0,0|3,0,0]=3 71 B5R0.5 CN(N)C(N)=S HR137421 [0,0,0,0,0,0|2,1,0]=3 72 B5R0.5 C[13CH](N)C(=O)O HR143521 [0,0,0,0,0,0|0,0,0]=0 73 B5R0.5 NC(=O)C(Cl)Cl HR126778 [0,0,0,0,0,0|3,0,0]=3 74 B5R0.5 NC(=O)C(N)=O HR106809 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.5 NC(=S)C(N)=S HR136922 [0,0,0,0,0,0|2,1,1]=4 76 B5R0.5 NC(=S)[NH2+](=O)[O-] HR128588 [0,0,0,0,0,0|2,0,2]=4 77 B5R0.5 O=C(Cl)C(=O)Cl TIJL03003 [0,0,0,0,0,0|3,0,1]=4 78 B5R0.5 O=C(Cl)C(F)F HR103865 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.5 O=C(O)C(=O)O HR123261 [0,0,0,0,0,0|2,0,1]=3 80 B5R0.5 O=C(O)C(F)F HR125822 [0,0,0,0,0,0|2,0,0]=2 81 B5R0.5 O=C([O-])C(=O)O HR136858 [0,0,0,0,0,0|2,0,1]=3 82 B5R0.5 O=C([O-])C(=O)[O-] HR100686 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.5 O=C([O-])C(=O)[O-] HR100962 [0,0,0,0,0,0|2,0,2]=4 84 B5R0.5 O=C([O-])C(=O)[O-] HR101005 [0,0,0,0,0,0|2,0,2]=4 85 B5R0.5 O=C([O-])C(=O)[O-] HR102573 [0,0,0,0,0,0|2,0,2]=4 86 B5R0.5 O=C([O-])C(=O)[O-] HR110849 [0,0,0,0,0,0|2,0,2]=4 87 B5R0.5 O=C([O-])C(=O)[O-] HR128357 [0,0,0,0,0,0|2,0,2]=4 88 B5R0.5 O=C([O-])C(=O)[O-] HR129686 [0,0,0,0,0,0|2,0,2]=4 89 B5R0.5 O=C([O-])C(=O)[O-] HR129949 [0,0,0,0,0,0|2,0,2]=4 90 B5R0.5 O=C([O-])C(=O)[O-] HR132963 [0,0,0,0,0,0|2,0,2]=4 91 B5R0.5 O=C([O-])C(=O)[O-] HR134379 [0,0,0,0,0,0|2,0,2]=4 92 B5R0.5 O=C([O-])C(=O)[O-] HR136084 [0,0,0,0,0,0|2,0,2]=4 93 B5R0.5 O=C([O-])C(=O)[O-] HR136170 [0,0,0,0,0,0|2,0,2]=4 94 B5R0.5 O=C([O-])C(=O)[O-] HR136344 [0,0,0,0,0,0|2,0,2]=4 95 B5R0.5 O=C([O-])C(=O)[O-] HR136431 [0,0,0,0,0,0|2,0,2]=4 96 B5R0.5 O=C([O-])C(=O)[O-] HR136606 [0,0,0,0,0,0|2,0,2]=4 97 B5R0.5 O=C([O-])C(=O)[O-] HR136689 [0,0,0,0,0,0|2,0,2]=4 98 B5R0.5 O=C([O-])C(=O)[O-] HR136946 [0,0,0,0,0,0|2,0,2]=4 99 B5R0.5 O=C([O-])C(=O)[O-] HR138096 [0,0,0,0,0,0|2,0,2]=4 100 B5R0.5 O=C([O-])C(=O)[O-] HR138340 [0,0,0,0,0,0|2,0,2]=4 101 B5R0.5 O=C([O-])C(Cl)Cl HR128840 [0,0,0,0,0,0|2,0,1]=3 102 B5R0.5 O=C([O-])C(F)F HR100204 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.5 [13CH3]C(N)C(=O)O HR141384 [0,0,0,0,0,0|0,0,0]=0 104 B5R0.5 [13CH3]C(N)C(=O)O HR144202 [0,0,0,0,0,0|0,0,0]=0 105 B4R0.1 C#CC(C)O HR104349 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 C=C(Br)CBr HR112152 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 C=C(C)CBr HR118272 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.1 C=C(C)CN HR103061 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 C=C(C)OC HR127251 [1,0,0,0,0,0|3,0,0]=4 110 B4R0.1 C=CC(=O)Cl HR138421 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.1 C=CC(=O)O HR147507 [1,0,0,0,0,0|0,0,2]=3 112 B4R0.1 C=CC(=O)[O-] HR107941 [1,0,0,0,0,0|0,0,3]=4 113 B4R0.1 C=CC(=O)[O-] HR108077 [1,0,0,0,0,0|0,0,3]=4 114 B4R0.1 C=CC(=O)[O-] HR108254 [1,0,0,0,0,0|0,0,3]=4 115 B4R0.1 C=CC(=O)[O-] HR114407 [1,0,0,0,0,0|0,0,3]=4 116 B4R0.1 C=CC(=O)[O-] HR128661 [1,0,0,0,0,0|0,0,3]=4 117 B4R0.1 C=CC(=O)[O-] HR138209 [1,0,0,0,0,0|0,0,3]=4 118 B4R0.1 C=CC(C)=O NASA01402 [1,0,0,0,0,0|1,0,2]=4 119 B4R0.1 C=CC(C)N HR115106 [1,0,0,0,0,0|1,0,0]=2 120 B4R0.1 C=CC(C)N HR115412 [1,0,0,0,0,0|1,0,0]=2 121 B4R0.1 C=CC(C)O HR107775 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.1 C=CC(N)=O HR124129 [1,0,0,0,0,0|1,0,2]=4 123 B4R0.1 C=CC(N)=O HR132105 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.1 C=CC(N)=O HR147511 [1,0,0,0,0,0|1,0,2]=4 125 B4R0.1 CC(=O)C=O HR138052 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 CC(=O)CBr HR147584 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.1 CC(=O)CCl HR146994 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.1 CC(=O)CN HR103911 [1,0,0,0,0,0|1,0,0]=2 129 B4R0.1 CC(=O)CN HR120199 [1,0,0,0,0,0|1,0,0]=2 130 B4R0.1 CC(=O)CO HR130889 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 CC(=O)NN HR137209 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.1 CC(=O)NO HR132350 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 CC(=O)OO HR147573 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 CC(C)=C=O HR100570 [1,0,0,0,0,0|1,0,2]=4 135 B4R0.1 CC(C)=NO HR135300 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 CC(C)NN ENSA06702 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 CC(C)NO HR127909 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 CC(C)NO HR128179 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.1 CC(C)ON HR102359 [1,0,0,0,0,0|3,0,0]=4 140 B4R0.1 CC(C)[Mg]Br HR118032 [1,0,0,0,0,0|3,0,0]=4 141 B4R0.1 CC(C)[Mg]Cl HR133071 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.1 CC(Cl)C#N HR101275 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.1 CC(Cl)CO HR137607 [1,0,0,0,0,0|1,0,1]=3 144 B4R0.1 CC(Cl)CO HR145870 [1,0,0,0,0,0|1,0,1]=3 145 B4R0.1 CC(Cl)CO HR8287 [1,0,0,0,0,0|1,0,1]=3 146 B4R0.1 CC(N)CN HR107514 [1,0,0,0,0,0|1,0,1]=3 147 B4R0.1 CC(N)CN HR114377 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.1 CC(N)CO HR128063 [1,0,0,0,0,0|0,0,1]=2 149 B4R0.1 CC(N)CO RESA03608 [1,0,0,0,0,0|0,0,1]=2 150 B4R0.1 CC(N)CO VAJB01501 [1,0,0,0,0,0|0,0,1]=2 151 B4R0.1 CC(O)CBr HR101360 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 CC(O)CCl HR135269 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 CC(O)CCl HR137859 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 CC(O)CN HR124975 [1,0,0,0,0,0|1,0,1]=3 155 B4R0.1 CC(O)CN RESA03408 [1,0,0,0,0,0|1,0,1]=3 156 B4R0.1 CC(O)CO HR123224 [1,0,0,0,0,0|1,0,1]=3 157 B4R0.1 CC(O)CO HR134690 [1,0,0,0,0,0|1,0,1]=3 158 B4R0.1 CC(O)CO HR135390 [1,0,0,0,0,0|1,0,1]=3 159 B4R0.1 CC([NH3+])CO HR127458 [1,0,0,0,0,0|0,0,2]=3 160 B4R0.1 CC=C(Cl)Cl HR101176 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 CCB(O)O HR132210 [1,0,0,0,0,0|1,0,1]=3 162 B4R0.1 CCC(=N)N HR124081 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.1 CCC(=O)[O-] HR100550 [1,0,0,0,0,0|0,0,1]=2 164 B4R0.1 CCC(=O)[O-] HR104439 [1,0,0,0,0,0|0,0,1]=2 165 B4R0.1 CCC(=O)[O-] HR133146 [1,0,0,0,0,0|0,0,1]=2 166 B4R0.1 CCC(=O)[O-] HR133686 [1,0,0,0,0,0|0,0,1]=2 167 B4R0.1 CCC(=O)[O-] HR140520 [1,0,0,0,0,0|0,0,1]=2 168 B4R0.1 CCC(=O)[O-] HR145618 [1,0,0,0,0,0|0,0,1]=2 169 B4R0.1 CCC(C)N HR146170 [1,0,0,0,0,0|1,0,1]=3 170 B4R0.1 CCC(C)O HR134477 [1,0,0,0,0,0|1,0,1]=3 171 B4R0.1 CCC(C)O HR138640 [1,0,0,0,0,0|1,0,1]=3 172 B4R0.1 CCC(C)[O-] HR123042 [1,0,0,0,0,0|1,0,2]=4 173 B4R0.1 CCC(N)=O HR135085 [1,0,0,0,0,0|1,0,0]=2 174 B4R0.1 CCC(N)=S HR103772 [1,0,0,0,0,0|1,1,0]=3 175 B4R0.1 CCC(N)N HR113560 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.1 CCN(C)C HR137292 [1,0,0,0,0,0|3,0,0]=4 177 B4R0.1 CCS(=O)[O-] HR107475 [1,0,0,0,0,0|1,0,1]=3 178 B4R0.1 CC[N+](=O)[O-] ANSA06411 [1,0,0,0,0,0|1,0,1]=3 179 B4R0.1 CN(C)C=O HR147510 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.1 CN(C)C=S HR147835 [1,0,0,0,0,0|2,1,0]=4 181 B4R0.1 CNC(=N)N HR100834 [1,0,0,0,0,0|3,0,0]=4 182 B4R0.1 CNC(=N)N HR127277 [1,0,0,0,0,0|3,0,0]=4 183 B4R0.1 CNC(=O)Cl HR124675 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.1 CNC(C)=O HR133410 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.1 CNC(C)C HR108788 [1,0,0,0,0,0|3,0,0]=4 186 B4R0.1 CNC(N)=O HR130491 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.1 CNC(N)=S HR130920 [1,0,0,0,0,0|2,1,0]=4 188 B4R0.1 COC(=N)N HR109396 [1,0,0,0,0,0|3,0,0]=4 189 B4R0.1 COC(=N)N HR124434 [1,0,0,0,0,0|3,0,0]=4 190 B4R0.1 COC(=N)N HR127122 [1,0,0,0,0,0|3,0,0]=4 191 B4R0.1 COC(=N)N HR128592 [1,0,0,0,0,0|3,0,0]=4 192 B4R0.1 COC(=O)Cl ANSA06440 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.1 COC(N)=O HR124182 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.1 CSC(=N)N HR104771 [1,0,0,0,0,0|3,0,0]=4 195 B4R0.1 CSC(=N)N HR136603 [1,0,0,0,0,0|3,0,0]=4 196 B4R0.1 CSC(=N)N HR136931 [1,0,0,0,0,0|3,0,0]=4 197 B4R0.1 CSC(C)=O HR129778 [1,0,0,0,0,0|2,0,0]=3 198 B4R0.1 CSC(C)C HR129517 [1,0,0,0,0,0|3,0,0]=4 199 B4R0.1 C[N+](C)=CCl HR128587 [1,0,0,0,0,0|3,0,0]=4 200 B4R0.1 N=C(N)CN HR125328 [1,0,0,0,0,0|2,0,0]=3 201 B4R0.1 N=C(N)CO HR114385 [1,0,0,0,0,0|1,0,2]=4 202 B4R0.1 N=C(N)NN HR128340 [1,0,0,0,0,0|3,0,0]=4 203 B4R0.1 N=C(N)NN HR128382 [1,0,0,0,0,0|3,0,0]=4 204 B4R0.1 N=C(N)NN HR128866 [1,0,0,0,0,0|3,0,0]=4 205 B4R0.1 N=C(N)NN HR132446 [1,0,0,0,0,0|3,0,0]=4 206 B4R0.1 NC(=O)CBr HR101040 [1,0,0,0,0,0|2,0,0]=3 207 B4R0.1 NC(=O)CBr HR132005 [1,0,0,0,0,0|2,0,0]=3 208 B4R0.1 NC(=O)CCl HR138619 [1,0,0,0,0,0|2,0,0]=3 209 B4R0.1 NC(=O)CI HR127038 [1,0,0,0,0,0|2,0,0]=3 210 B4R0.1 NC(=O)NO HR136334 [1,0,0,0,0,0|2,0,1]=4 211 B4R0.1 NCC(=O)O HR123103 [1,0,0,0,0,0|0,0,0]=1 212 B4R0.1 NCC(=O)O HR134482 [1,0,0,0,0,0|0,0,0]=1 213 B4R0.1 NCC(=O)[O-] HR100672 [1,0,0,0,0,0|0,0,1]=2 214 B4R0.1 NCC(=O)[O-] HR132852 [1,0,0,0,0,0|0,0,1]=2 215 B4R0.1 NCC(=O)[O-] HR132860 [1,0,0,0,0,0|0,0,1]=2 216 B4R0.1 NCC(=O)[O-] HR134278 [1,0,0,0,0,0|0,0,1]=2 217 B4R0.1 NCC(=O)[O-] HR136299 [1,0,0,0,0,0|0,0,1]=2 218 B4R0.1 NCC(=O)[O-] HR9921 [1,0,0,0,0,0|0,0,1]=2 219 B4R0.1 NCC(F)F HR142199 [1,0,0,0,0,0|2,0,1]=4 220 B4R0.1 NCC(N)=O HR123368 [1,0,0,0,0,0|1,0,0]=2 221 B4R0.1 NCC(N)=O SESA01801 [1,0,0,0,0,0|1,0,0]=2 222 B4R0.1 NN=C(N)N HR137699 [1,0,0,0,0,0|3,0,0]=4 223 B4R0.1 NNC(N)=O AZXF00310 [1,0,0,0,0,0|2,0,0]=3 224 B4R0.1 NNC(N)=O HR100595 [1,0,0,0,0,0|2,0,0]=3 225 B4R0.1 NNC(N)=S HR128058 [1,0,0,0,0,0|2,1,0]=4 226 B4R0.1 NNC(N)=S HR138931 [1,0,0,0,0,0|2,1,0]=4 227 B4R0.1 O=C(Br)CBr POCQ01902 [1,0,0,0,0,0|2,0,0]=3 228 B4R0.1 O=C(Cl)CBr POCQ01905 [1,0,0,0,0,0|2,0,0]=3 229 B4R0.1 O=C(Cl)CCl SQJB01602 [1,0,0,0,0,0|2,0,0]=3 230 B4R0.1 O=C(Cl)CF HR102086 [1,0,0,0,0,0|2,0,0]=3 231 B4R0.1 O=C(O)CBr HR147062 [1,0,0,0,0,0|1,0,0]=2 232 B4R0.1 O=C(O)CCl HR147508 [1,0,0,0,0,0|1,0,0]=2 233 B4R0.1 O=C(O)CO HR128939 [1,0,0,0,0,0|1,0,0]=2 234 B4R0.1 O=C(O)CS HR128237 [1,0,0,0,0,0|1,0,0]=2 235 B4R0.1 O=C([O-])CBr HR116499 [1,0,0,0,0,0|1,0,1]=3 236 B4R0.1 O=C([O-])CI HR131471 [1,0,0,0,0,0|1,0,1]=3 237 B4R0.1 O=C([O-])CO HR134522 [1,0,0,0,0,0|1,0,1]=3 238 B4R0.1 O=C([O-])CS HR135616 [1,0,0,0,0,0|1,0,1]=3 239 B4R0.1 O=C([O-])CS HR135882 [1,0,0,0,0,0|1,0,1]=3 240 B4R0.1 O=C([O-])CS HR136156 [1,0,0,0,0,0|1,0,1]=3 241 B4R0.1 O=C([O-])CS HR137167 [1,0,0,0,0,0|1,0,1]=3 242 B4R0.1 O=CC(=O)O APSA07202 [1,0,0,0,0,0|1,0,1]=3 243 B4R0.1 O=CC(=O)O HR136448 [1,0,0,0,0,0|1,0,1]=3 244 B4R0.1 O=CC(=O)O HR136846 [1,0,0,0,0,0|1,0,1]=3 245 B4R0.1 O=CC(Cl)Cl HR126253 [1,0,0,0,0,0|2,0,0]=3 246 B4R0.1 O=S([O-])CO HR127617 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.1 O=[N+]([O-])CBr HR134853 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.1 OCC(F)F HR117908 [1,0,0,0,0,0|2,0,1]=4 249 B4R0.1 [Li]C(C)CC HR128023 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.1 [Li]CC(C)C HR106513 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.3 C=C(CC)C(=O)O HR118672 [0,1,0,0,0,0|1,0,1]=3 252 B6R0.3 C=C(F)C(=O)OC HR30168 [0,1,0,0,0,0|1,0,2]=4 253 B6R0.3 C=CC(=O)N(C)C HR129014 [0,1,0,0,0,0|3,0,0]=4 254 B6R0.3 C=CC(N)C(=O)O HR139947 [0,1,0,0,0,0|0,0,1]=2 255 B6R0.3 C=CC(N)C(=O)O HR146204 [0,1,0,0,0,0|0,0,1]=2 256 B6R0.3 C=CN(C)C(C)=O HR127450 [0,1,0,0,0,0|3,0,0]=4 257 B6R0.3 CC(=O)\C(C)=N\O HR130047 [0,1,0,0,0,0|1,0,2]=4 258 B6R0.3 CC(C)C(=O)CBr HR144939 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.3 CC(C)C(=O)NN HR137490 [0,1,0,0,0,0|2,0,0]=3 260 B6R0.3 CC(C)C(N)CO HR108489 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.3 CC(C)C(N)CO HR127327 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.3 CC(C)C(N)CO HR146615 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.3 CC(CN)C(=O)O HR133030 [0,1,0,0,0,0|0,0,0]=1 264 B6R0.3 CC(O)C(N)CO HR137748 [0,1,0,0,0,0|1,0,1]=3 265 B6R0.3 CC(O)C(N)CO HR138002 [0,1,0,0,0,0|1,0,1]=3 266 B6R0.3 CCC(=O)C(=O)O HR128819 [0,1,0,0,0,0|1,0,1]=3 267 B6R0.3 CCC(=O)C(C)=O HR131826 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.3 CCC(=O)C(C)Cl HR114937 [0,1,0,0,0,0|2,0,0]=3 269 B6R0.3 CCC(=O)N(C)C HR122269 [0,1,0,0,0,0|3,0,0]=4 270 B6R0.3 CCC(Br)C(=O)Cl HR115509 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.3 CCC(Br)C(=O)O HR123595 [0,1,0,0,0,0|1,0,0]=2 272 B6R0.3 CCC(C)C(=O)Cl HR144038 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.3 CCC(C)C(=O)O HR124401 [0,1,0,0,0,0|1,0,0]=2 274 B6R0.3 CCC(C)C(=O)O HR124666 [0,1,0,0,0,0|1,0,0]=2 275 B6R0.3 CCC(C)C(N)=O HR115534 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.3 CCC(Cl)C(=O)O HR104193 [0,1,0,0,0,0|1,0,0]=2 277 B6R0.3 CCC(Cl)C(=O)O HR104505 [0,1,0,0,0,0|1,0,0]=2 278 B6R0.3 CCC(N)B(O)O HR32532 [0,1,0,0,0,0|1,0,1]=3 279 B6R0.3 CCC(N)B(O)O HR32533 [0,1,0,0,0,0|1,0,1]=3 280 B6R0.3 CCC(N)C(=O)O HR100731 [0,1,0,0,0,0|0,0,0]=1 281 B6R0.3 CCC(N)C(=O)O HR128531 [0,1,0,0,0,0|0,0,0]=1 282 B6R0.3 CCC(N)C(=O)O HR128797 [0,1,0,0,0,0|0,0,0]=1 283 B6R0.3 CCC(N)C(=O)O HR130831 [0,1,0,0,0,0|0,0,0]=1 284 B6R0.3 CCC(N)C(=O)O VOJL00901 [0,1,0,0,0,0|0,0,0]=1 285 B6R0.3 CCC(N)C(N)=O HR113889 [0,1,0,0,0,0|1,0,0]=2 286 B6R0.3 CCC(N)C(N)=O HR133280 [0,1,0,0,0,0|1,0,0]=2 287 B6R0.3 CCC(O)C(=O)O HR145745 [0,1,0,0,0,0|1,0,0]=2 288 B6R0.3 CCC(O)C(=O)O HR8265 [0,1,0,0,0,0|1,0,0]=2 289 B6R0.3 CCC(S)C(C)=O HR124234 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.3 CCN(C)C(=O)Cl HR16066 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.3 CN(C)C(=O)CCl HR133574 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.3 CN(C)C(=O)CN HR107364 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.3 CN(C)C(=O)CN HR119152 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.3 CNC(=O)N(C)C HR100405 [0,1,0,0,0,0|3,0,0]=4 295 B6R0.3 CNC(C)C(=O)O HR126490 [0,1,0,0,0,0|0,0,0]=1 296 B6R0.3 CNC(C)C(=O)O HR131233 [0,1,0,0,0,0|0,0,0]=1 297 B6R0.3 CNC(C)C(=O)O HR138734 [0,1,0,0,0,0|0,0,0]=1 298 B6R0.3 CNC(C)C(=O)[O-] HR145674 [0,1,0,0,0,0|0,0,1]=2 299 B6R0.3 COC(=O)C(=O)Cl FOXF01206 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.3 COC(=O)C(C)=O HR131015 [0,1,0,0,0,0|1,0,1]=3 301 B6R0.3 COC(=O)C(C)Br HR123627 [0,1,0,0,0,0|1,0,0]=2 302 B6R0.3 COC(=O)C(C)Cl HR133108 [0,1,0,0,0,0|1,0,0]=2 303 B6R0.3 COC(=O)C(C)N HR10884 [0,1,0,0,0,0|0,0,0]=1 304 B6R0.3 COC(=O)C(C)N HR126866 [0,1,0,0,0,0|0,0,0]=1 305 B6R0.3 COC(=O)C(C)N HR127180 [0,1,0,0,0,0|0,0,0]=1 306 B6R0.3 COC(=O)C(C)O HR133668 [0,1,0,0,0,0|1,0,0]=2 307 B6R0.3 COC(=O)C(C)O HR6056 [0,1,0,0,0,0|1,0,0]=2 308 B6R0.3 COC(=O)C(F)F HR120744 [0,1,0,0,0,0|2,0,0]=3 309 B6R0.3 COC(=O)C(N)=O HR115965 [0,1,0,0,0,0|1,0,1]=3 310 B6R0.3 CON(C)C(C)=O HR136259 [0,1,0,0,0,0|3,0,0]=4 311 B6R0.3 CSC(C)C(C)=O HR133684 [0,1,0,0,0,0|2,0,0]=3 312 B6R0.3 C\C=C(/C)C(=O)Cl HR120157 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.3 C\C=C(/C)C(=O)O HR127692 [0,1,0,0,0,0|1,0,1]=3 314 B6R0.3 C\C=C(/C)C(=O)O HR140908 [0,1,0,0,0,0|1,0,1]=3 315 B6R0.3 NC(=O)C(Br)CBr HR125555 [0,1,0,0,0,0|2,0,0]=3 316 B6R0.3 NC(=O)C(N)CO HR115072 [0,1,0,0,0,0|1,0,0]=2 317 B6R0.3 NC(CO)C(=O)O HR10704 [0,1,0,0,0,0|0,0,0]=1 318 B6R0.3 NC(CO)C(=O)O HR11003 [0,1,0,0,0,0|0,0,0]=1 319 B6R0.3 NC(CO)C(=O)O HR136009 [0,1,0,0,0,0|0,0,0]=1 320 B6R0.3 NC(CS)C(=O)O HR125082 [0,1,0,0,0,0|0,0,0]=1 321 B6R0.3 NC(CS)C(=O)O HR125295 [0,1,0,0,0,0|0,0,0]=1 322 B6R0.3 NC(CS)C(=O)O HR125344 [0,1,0,0,0,0|0,0,0]=1 323 B6R0.3 NC(CS)C(=O)O HR129167 [0,1,0,0,0,0|0,0,0]=1 324 B6R0.3 NC(CS)C(=O)O HR129315 [0,1,0,0,0,0|0,0,0]=1 325 B6R0.3 NC(CS)C(=O)O HR129684 [0,1,0,0,0,0|0,0,0]=1 326 B6R0.3 NC(CS)C(=O)O HR135781 [0,1,0,0,0,0|0,0,0]=1 327 B6R0.3 NC(CS)C(=O)O HR136316 [0,1,0,0,0,0|0,0,0]=1 328 B6R0.3 NC(C[SeH])C(=O)O HR101211 [0,1,0,0,0,0|0,0,0]=1 329 B6R0.3 NCC(N)C(=O)O HR101827 [0,1,0,0,0,0|0,0,0]=1 330 B6R0.3 NCC(N)C(=O)O HR120379 [0,1,0,0,0,0|0,0,0]=1 331 B6R0.3 NCC(N)C(=O)O HR130162 [0,1,0,0,0,0|0,0,0]=1 332 B6R0.3 NCC(N)C(=O)O HR137268 [0,1,0,0,0,0|0,0,0]=1 333 B6R0.3 NCC(O)C(=O)O HR126827 [0,1,0,0,0,0|1,0,0]=2 334 B6R0.3 NCC(O)C(=O)O HR145757 [0,1,0,0,0,0|1,0,0]=2 335 B6R0.3 NCC(O)C(=O)O HR145758 [0,1,0,0,0,0|1,0,0]=2 336 B6R0.3 O=C(CBr)C(Br)Br HR130684 [0,1,0,0,0,0|3,0,0]=4 337 B6R0.3 O=C(Cl)C(Br)CBr HR128333 [0,1,0,0,0,0|2,0,0]=3 338 B6R0.3 O=C(O)C(=O)CBr HR129820 [0,1,0,0,0,0|1,0,1]=3 339 B6R0.3 O=C(O)C(Br)CBr HR128067 [0,1,0,0,0,0|1,0,0]=2 340 B6R0.3 O=C(O)C(Br)CO HR121810 [0,1,0,0,0,0|1,0,0]=2 341 B6R0.3 O=C(O)C(Cl)CCl HR102337 [0,1,0,0,0,0|1,0,0]=2 342 B6R0.7 CC(=O)C(C)(C)C HR147694 [0,1,0,0,0,0|2,0,0]=3 343 B6R0.7 CC(=O)C(C)(C)O HR125473 [0,1,0,0,0,0|2,0,0]=3 344 B6R0.7 CC(=O)C(Cl)(Cl)Cl HR122621 [0,1,0,0,0,0|3,0,0]=4 345 B6R0.7 CC(=O)C(F)(F)F HR150212 [0,1,0,0,0,0|3,0,0]=4 346 B6R0.7 CC(=O)[Si](C)(C)C HR104737 [0,1,0,0,0,0|2,1,0]=4 347 B6R0.7 CC(C)(Br)C(=O)Br HR133497 [0,1,0,0,0,0|2,0,0]=3 348 B6R0.7 CC(C)(Br)C(=O)O HR133224 [0,1,0,0,0,0|1,0,0]=2 349 B6R0.7 CC(C)(C)C(=N)N HR101725 [0,1,0,0,0,0|3,0,0]=4 350 B6R0.7 CC(C)(C)C(=O)Cl HR147696 [0,1,0,0,0,0|2,0,0]=3 351 B6R0.7 CC(C)(C)C(=O)O HR129720 [0,1,0,0,0,0|1,0,0]=2 352 B6R0.7 CC(C)(C)C(=O)S HR142293 [0,1,0,0,0,0|1,1,0]=3 353 B6R0.7 CC(C)(C)C(=O)[O-] HR116684 [0,1,0,0,0,0|1,0,1]=3 354 B6R0.7 CC(C)(C)C(=O)[O-] HR118949 [0,1,0,0,0,0|1,0,1]=3 355 B6R0.7 CC(C)(C)C(N)=O SEXF01404 [0,1,0,0,0,0|2,0,0]=3 356 B6R0.7 CC(C)(C)C(N)=S HR105495 [0,1,0,0,0,0|2,1,0]=4 357 B6R0.7 CC(C)(C)S(=O)Cl HR122983 [0,1,0,0,0,0|3,0,0]=4 358 B6R0.7 CC(C)(C)S(N)=O HR6057 [0,1,0,0,0,0|3,0,0]=4 359 B6R0.7 CC(C)(C)S(N)=O HR6058 [0,1,0,0,0,0|3,0,0]=4 360 B6R0.7 CC(C)(C)S(N)=O HR9911 [0,1,0,0,0,0|3,0,0]=4 361 B6R0.7 CC(C)(N)C(=O)O HR126357 [0,1,0,0,0,0|0,0,0]=1 362 B6R0.7 CC(C)(O)C(=O)O HR138865 [0,1,0,0,0,0|1,0,0]=2 363 B6R0.7 CC(C)(S)C(=O)O HR123342 [0,1,0,0,0,0|1,0,0]=2 364 B6R0.7 CC(C)S(=O)(=O)Cl HR128311 [0,1,0,0,0,0|2,0,1]=4 365 B6R0.7 CC(C)S(C)(=O)=O HR107037 [0,1,0,0,0,0|2,0,1]=4 366 B6R0.7 CC(C)S(N)(=O)=O HR16612 [0,1,0,0,0,0|2,0,1]=4 367 B6R0.7 CC(Cl)(Cl)C(=O)O HR134854 [0,1,0,0,0,0|1,0,0]=2 368 B6R0.7 CC(Cl)(Cl)C(=O)[O-] HR100472 [0,1,0,0,0,0|1,0,1]=3 369 B6R0.7 CC(F)(F)C(=O)O HR137545 [0,1,0,0,0,0|1,0,0]=2 370 B6R0.7 CC(N)C(F)(F)F HR103132 [0,1,0,0,0,0|2,0,1]=4 371 B6R0.7 CC(N)C(F)(F)F HR105123 [0,1,0,0,0,0|2,0,1]=4 372 B6R0.7 CC(N)C(F)(F)F HR114627 [0,1,0,0,0,0|2,0,1]=4 373 B6R0.7 CC(N)C(F)(F)F HR120897 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.7 CC(N)P(=O)(O)O HR131234 [0,1,0,0,0,0|1,0,0]=2 375 B6R0.7 NC(=O)C(Cl)(Cl)Cl HR136005 [0,1,0,0,0,0|3,0,0]=4 376 B6R0.7 NC(=O)C(F)(F)Br HR122696 [0,1,0,0,0,0|3,0,0]=4 377 B6R0.7 NC(=O)C(F)(F)F HR130619 [0,1,0,0,0,0|3,0,0]=4 378 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl HR147515 [0,1,0,0,0,0|3,0,0]=4 379 B6R0.7 O=C(F)C(F)(F)Br HR129404 [0,1,0,0,0,0|3,0,0]=4 380 B6R0.7 O=C(F)C(F)(F)F HR116463 [0,1,0,0,0,0|3,0,0]=4 381 B6R0.7 O=C(O)C(F)(F)Br HR120115 [0,1,0,0,0,0|2,0,0]=3 382 B6R0.7 O=C(O)C(F)(F)Cl HR129660 [0,1,0,0,0,0|2,0,0]=3 383 B6R0.7 O=C(O)C(F)(F)F HR104118 [0,1,0,0,0,0|2,0,0]=3 384 B6R0.7 O=C(O)C(F)(F)F HR146992 [0,1,0,0,0,0|2,0,0]=3 385 B6R0.7 O=C([O-])C(F)(F)Cl HR130072 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.7 O=C([O-])C(F)(F)F HR112588 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.7 O=C([O-])C(F)(F)F HR118382 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.7 O=C([O-])C(F)(F)F HR147720 [0,1,0,0,0,0|2,0,1]=4 389 B6R1.11 C=C(C)C1CO1 HR139225 [0,0,0,1,0,0|3,0,0]=4 390 B6R1.11 CC(=O)C1CC1 HR134464 [0,0,0,1,0,0|2,0,0]=3 391 B6R1.11 CC(C)C1CO1 HR145858 [0,0,0,1,0,0|2,0,1]=4 392 B6R1.11 CC(C)C1CO1 HR145875 [0,0,0,1,0,0|2,0,1]=4 393 B6R1.11 CC(C)C1CO1 HR145876 [0,0,0,1,0,0|2,0,1]=4 394 B6R1.11 CC(N)C1CC1 HR146098 [0,0,0,1,0,0|2,0,1]=4 395 B6R1.11 CC(O)C1CC1 HR101733 [0,0,0,1,0,0|2,0,1]=4 396 B6R1.11 N=C(N)C1CC1 HR137003 [0,0,0,1,0,0|3,0,0]=4 397 B6R1.11 NC(=O)C1CC1 HR21401 [0,0,0,1,0,0|2,0,0]=3 398 B6R1.11 O=C(Cl)C1CC1 FISA07805 [0,0,0,1,0,0|2,0,0]=3 399 B6R1.11 O=C(O)C1CC1 HR133116 [0,0,0,1,0,0|1,0,0]=2 400 B6R1.11 O=S([O-])C1CC1 HR105027 [0,0,0,1,0,0|2,0,1]=4 401 B6R1.11 OB(O)C1CC1 HR4014 [0,0,0,1,0,0|2,0,1]=4 402 B6R0.2 CC(=O)CC(=O)[O-] HR126081 [0,0,0,0,0,1|1,0,2]=4 403 B6R0.2 CC(=O)CC(C)=O AVJB01201 [0,0,0,0,0,1|2,0,1]=4 404 B6R0.2 CC(=O)CC(C)=O CUSA07105 [0,0,0,0,0,1|2,0,1]=4 405 B6R0.2 CC(=O)CC(C)=O HR108604 [0,0,0,0,0,1|2,0,1]=4 406 B6R0.2 CC(=O)CC(N)=O HR125580 [0,0,0,0,0,1|2,0,1]=4 407 B6R0.2 CC(=O)NC(=N)N HR3986 [0,0,0,0,0,1|2,0,1]=4 408 B6R0.2 CC(=O)NC(C)C ABSA04901 [0,0,0,0,0,1|2,0,0]=3 409 B6R0.2 CC(=O)OC(C)=O NASA01407 [0,0,0,0,0,1|2,0,1]=4 410 B6R0.2 CC(=O)OC(C)Br HR115050 [0,0,0,0,0,1|2,0,0]=3 411 B6R0.2 CC(=O)\C=C(/C)N HR105871 [0,0,0,0,0,1|1,0,1]=3 412 B6R0.2 CC(=O)\C=C(\C)[O-] HR100501 [0,0,0,0,0,1|2,0,1]=4 413 B6R0.2 CC(=O)\C=C(\C)[O-] HR107173 [0,0,0,0,0,1|2,0,1]=4 414 B6R0.2 CC(=O)\C=C(\C)[O-] HR113781 [0,0,0,0,0,1|2,0,1]=4 415 B6R0.2 CC(=O)\C=C(\C)[O-] HR117143 [0,0,0,0,0,1|2,0,1]=4 416 B6R0.2 CC(C)=CC(=O)Cl HR129281 [0,0,0,0,0,1|2,0,1]=4 417 B6R0.2 CC(C)=CC(=O)O HR21295 [0,0,0,0,0,1|1,0,1]=3 418 B6R0.2 CC(C)CB(O)O HR137992 [0,0,0,0,0,1|2,0,1]=4 419 B6R0.2 CC(C)CC(=O)O HR123359 [0,0,0,0,0,1|1,0,0]=2 420 B6R0.2 CC(C)CC(C)N HR121969 [0,0,0,0,0,1|2,0,1]=4 421 B6R0.2 CC(C)CC(N)=O HR109732 [0,0,0,0,0,1|2,0,0]=3 422 B6R0.2 CC(C)OC(=S)[S-] HR128420 [0,0,0,0,0,1|1,2,0]=4 423 B6R0.2 CC(N)CC(=O)O HR103780 [0,0,0,0,0,1|0,0,0]=1 424 B6R0.2 CC(N)CC(=O)O HR116211 [0,0,0,0,0,1|0,0,0]=1 425 B6R0.2 CC(N)CC(=O)O HR120488 [0,0,0,0,0,1|0,0,0]=1 426 B6R0.2 CC(N)CC(=O)O HR124863 [0,0,0,0,0,1|0,0,0]=1 427 B6R0.2 CC(O)CC(=O)[O-] HR147106 [0,0,0,0,0,1|1,0,1]=3 428 B6R0.2 CN(C)CC(=O)O HR127289 [0,0,0,0,0,1|2,0,0]=3 429 B6R0.2 CN(C)CC(=O)[O-] HR134057 [0,0,0,0,0,1|2,0,1]=4 430 B6R0.2 C[S+](C)CC(=O)[O-] HR107996 [0,0,0,0,0,1|2,0,1]=4 431 B6R0.2 N=C(N)CC(N)=O HR137702 [0,0,0,0,0,1|2,0,1]=4 432 B6R0.2 N=C(N)NC(N)=O HR122408 [0,0,0,0,0,1|2,0,1]=4 433 B6R0.2 N=C(N)NC(N)=O HR122672 [0,0,0,0,0,1|2,0,1]=4 434 B6R0.2 NC(=O)CC(N)=O HR138203 [0,0,0,0,0,1|2,0,1]=4 435 B6R0.2 NC(=O)NC(N)=O HR130501 [0,0,0,0,0,1|2,0,1]=4 436 B6R0.2 O=C(O)CC(=O)O DACQ01002 [0,0,0,0,0,1|2,0,1]=4 437 B6R0.2 O=C(O)CC(=O)O HR144418 [0,0,0,0,0,1|2,0,1]=4 438 B6R0.2 OC(=S)CC(F)F HR125326 [0,0,0,0,0,1|2,1,0]=4 439 B3R0.1 C#CC=O HR107808 [2,0,0,0,0,0|0,0,2]=4 440 B3R0.1 C#CCN HR125826 [2,0,0,0,0,0|1,0,1]=4 441 B3R0.1 C#CCN HR132078 [2,0,0,0,0,0|1,0,1]=4 442 B3R0.1 C=CCBr MIJL02702 [2,0,0,0,0,0|2,0,0]=4 443 B3R0.1 CCC=O HR147700 [2,0,0,0,0,0|0,0,0]=2 444 B3R0.1 CCCN HR147701 [2,0,0,0,0,0|1,0,1]=4 445 B3R0.1 CCNC HR124522 [2,0,0,0,0,0|2,0,0]=4 446 B3R0.1 CCNC HR137767 [2,0,0,0,0,0|2,0,0]=4 447 B3R0.1 CCNO HR134189 [2,0,0,0,0,0|1,0,0]=3 448 B3R0.1 CCON HR132609 [2,0,0,0,0,0|2,0,0]=4 449 B3R0.1 CCSC HR132879 [2,0,0,0,0,0|2,0,0]=4 450 B3R0.1 CC[Mg]Br HR122779 [2,0,0,0,0,0|2,0,0]=4 451 B3R0.1 CC[Mg]Cl HR134689 [2,0,0,0,0,0|2,0,0]=4 452 B3R0.1 CNC=O HR129999 [2,0,0,0,0,0|1,0,0]=3 453 B3R0.1 C\C=C\C HR122646 [2,0,0,0,0,0|1,0,1]=4 454 B3R0.1 C\C=C\C HR122910 [2,0,0,0,0,0|1,0,1]=4 455 B3R0.1 N#CCN HR147052 [2,0,0,0,0,0|1,0,1]=4 456 B3R0.1 NCCBr HR127529 [2,0,0,0,0,0|1,0,1]=4 457 B3R0.1 NCCCl HR133621 [2,0,0,0,0,0|1,0,1]=4 458 B3R0.1 NCCF HR147282 [2,0,0,0,0,0|1,0,1]=4 459 B3R0.1 NCCN COCQ01602 [2,0,0,0,0,0|1,0,1]=4 460 B3R0.1 NCCN HR101834 [2,0,0,0,0,0|1,0,1]=4 461 B3R0.1 NCCN HR104862 [2,0,0,0,0,0|1,0,1]=4 462 B3R0.1 NCCN HR122122 [2,0,0,0,0,0|1,0,1]=4 463 B3R0.1 NCCO HR107047 [2,0,0,0,0,0|0,0,1]=3 464 B3R0.1 NCCS HR135517 [2,0,0,0,0,0|0,1,1]=4 465 B3R0.1 NCC[NH3+] HR126181 [2,0,0,0,0,0|1,0,1]=4 466 B3R0.1 NNC=O FOXF01201 [2,0,0,0,0,0|1,0,0]=3 467 B3R0.1 O=CC=O HR136593 [2,0,0,0,0,0|1,0,1]=4 468 B3R0.1 O=CCCl HR147594 [2,0,0,0,0,0|1,0,0]=3 469 B3R0.1 O=CCS HR100447 [2,0,0,0,0,0|1,0,0]=3 470 B3R0.1 OCCBr HR30161 [2,0,0,0,0,0|1,0,1]=4 471 B3R0.1 OCCF HR134480 [2,0,0,0,0,0|1,0,1]=4 472 B3R0.1 OCCI HR133619 [2,0,0,0,0,0|1,0,1]=4 473 B3R0.1 OCCO HR137128 [2,0,0,0,0,0|1,0,1]=4 474 B3R0.1 OCCS APSA07216 [2,0,0,0,0,0|1,0,1]=4 475 B3R0.2 C=[N+](C)C HR101548 [2,0,0,0,0,0|2,0,0]=4 476 B3R0.2 CB(O)O HR125352 [2,0,0,0,0,0|1,0,1]=4 477 B3R0.2 CC(=N)N HR126542 [2,0,0,0,0,0|1,0,1]=4 478 B3R0.2 CC(=O)Br HR147574 [2,0,0,0,0,0|1,0,0]=3 479 B3R0.2 CC(=O)Cl ANSA06435 [2,0,0,0,0,0|1,0,0]=3 480 B3R0.2 CC(=O)O HR101021 [2,0,0,0,0,0|0,0,0]=2 481 B3R0.2 CC(=O)O HR106009 [2,0,0,0,0,0|0,0,0]=2 482 B3R0.2 CC(=O)O HR144874 [2,0,0,0,0,0|0,0,0]=2 483 B3R0.2 CC(=O)[O-] HR100397 [2,0,0,0,0,0|0,0,1]=3 484 B3R0.2 CC(=O)[O-] HR100452 [2,0,0,0,0,0|0,0,1]=3 485 B3R0.2 CC(=O)[O-] HR100574 [2,0,0,0,0,0|0,0,1]=3 486 B3R0.2 CC(=O)[O-] HR101017 [2,0,0,0,0,0|0,0,1]=3 487 B3R0.2 CC(=O)[O-] HR101061 [2,0,0,0,0,0|0,0,1]=3 488 B3R0.2 CC(=O)[O-] HR101458 [2,0,0,0,0,0|0,0,1]=3 489 B3R0.2 CC(=O)[O-] HR101465 [2,0,0,0,0,0|0,0,1]=3 490 B3R0.2 CC(=O)[O-] HR101582 [2,0,0,0,0,0|0,0,1]=3 491 B3R0.2 CC(=O)[O-] HR101606 [2,0,0,0,0,0|0,0,1]=3 492 B3R0.2 CC(=O)[O-] HR101993 [2,0,0,0,0,0|0,0,1]=3 493 B3R0.2 CC(=O)[O-] HR104129 [2,0,0,0,0,0|0,0,1]=3 494 B3R0.2 CC(=O)[O-] HR104441 [2,0,0,0,0,0|0,0,1]=3 495 B3R0.2 CC(=O)[O-] HR105065 [2,0,0,0,0,0|0,0,1]=3 496 B3R0.2 CC(=O)[O-] HR107933 [2,0,0,0,0,0|0,0,1]=3 497 B3R0.2 CC(=O)[O-] HR10966 [2,0,0,0,0,0|0,0,1]=3 498 B3R0.2 CC(=O)[O-] HR118324 [2,0,0,0,0,0|0,0,1]=3 499 B3R0.2 CC(=O)[O-] HR120919 [2,0,0,0,0,0|0,0,1]=3 500 B3R0.2 CC(=O)[O-] HR122569 [2,0,0,0,0,0|0,0,1]=3 501 B3R0.2 CC(=O)[O-] HR123632 [2,0,0,0,0,0|0,0,1]=3 502 B3R0.2 CC(=O)[O-] HR123894 [2,0,0,0,0,0|0,0,1]=3 503 B3R0.2 CC(=O)[O-] HR123911 [2,0,0,0,0,0|0,0,1]=3 504 B3R0.2 CC(=O)[O-] HR124155 [2,0,0,0,0,0|0,0,1]=3 505 B3R0.2 CC(=O)[O-] HR126247 [2,0,0,0,0,0|0,0,1]=3 506 B3R0.2 CC(=O)[O-] HR127039 [2,0,0,0,0,0|0,0,1]=3 507 B3R0.2 CC(=O)[O-] HR127642 [2,0,0,0,0,0|0,0,1]=3 508 B3R0.2 CC(=O)[O-] HR128953 [2,0,0,0,0,0|0,0,1]=3 509 B3R0.2 CC(=O)[O-] HR130171 [2,0,0,0,0,0|0,0,1]=3 510 B3R0.2 CC(=O)[O-] HR131284 [2,0,0,0,0,0|0,0,1]=3 511 B3R0.2 CC(=O)[O-] HR131740 [2,0,0,0,0,0|0,0,1]=3 512 B3R0.2 CC(=O)[O-] HR132897 [2,0,0,0,0,0|0,0,1]=3 513 B3R0.2 CC(=O)[O-] HR136717 [2,0,0,0,0,0|0,0,1]=3 514 B3R0.2 CC(=O)[O-] HR137902 [2,0,0,0,0,0|0,0,1]=3 515 B3R0.2 CC(=O)[O-] HR138420 [2,0,0,0,0,0|0,0,1]=3 516 B3R0.2 CC(=O)[O-] HR138688 [2,0,0,0,0,0|0,0,1]=3 517 B3R0.2 CC(=O)[O-] HR138953 [2,0,0,0,0,0|0,0,1]=3 518 B3R0.2 CC(=O)[O-] HR141575 [2,0,0,0,0,0|0,0,1]=3 519 B3R0.2 CC(=O)[O-] HR142478 [2,0,0,0,0,0|0,0,1]=3 520 B3R0.2 CC(=O)[O-] HR144610 [2,0,0,0,0,0|0,0,1]=3 521 B3R0.2 CC(=O)[O-] HR3997 [2,0,0,0,0,0|0,0,1]=3 522 B3R0.2 CC(C)=O AUSA03806 [2,0,0,0,0,0|1,0,0]=3 523 B3R0.2 CC(C)I HR147635 [2,0,0,0,0,0|1,0,1]=4 524 B3R0.2 CC(C)N ABSA04801 [2,0,0,0,0,0|0,0,1]=3 525 B3R0.2 CC(C)[O-] HR101911 [2,0,0,0,0,0|1,0,1]=4 526 B3R0.2 CC(C)[O-] HR111090 [2,0,0,0,0,0|1,0,1]=4 527 B3R0.2 CC(C)[O-] HR123310 [2,0,0,0,0,0|1,0,1]=4 528 B3R0.2 CC(C)[O-] HR133912 [2,0,0,0,0,0|1,0,1]=4 529 B3R0.2 CC(C)[O-] HR136894 [2,0,0,0,0,0|1,0,1]=4 530 B3R0.2 CC(C)[O-] HR142627 [2,0,0,0,0,0|1,0,1]=4 531 B3R0.2 CC(C)[O-] HR147734 [2,0,0,0,0,0|1,0,1]=4 532 B3R0.2 CC(N)=O HR137897 [2,0,0,0,0,0|0,0,1]=3 533 B3R0.2 CC(N)=S FOXF01202 [2,0,0,0,0,0|0,1,1]=4 534 B3R0.2 CC([O-])=S HR123449 [2,0,0,0,0,0|0,1,1]=4 535 B3R0.2 CS(=O)O HR102459 [2,0,0,0,0,0|1,0,0]=3 536 B3R0.2 CS(C)=O HR127060 [2,0,0,0,0,0|2,0,0]=4 537 B3R0.2 C[P+](C)=O HR103883 [2,0,0,0,0,0|2,0,0]=4 538 B3R0.2 C[Sn](C)=O HR100537 [2,0,0,0,0,0|2,0,0]=4 539 B3R0.2 N=C(N)Cl HR104792 [2,0,0,0,0,0|2,0,0]=4 540 B3R0.2 N=C(N)N ENSA06708 [2,0,0,0,0,0|2,0,0]=4 541 B3R0.2 N=C(N)N HR101297 [2,0,0,0,0,0|2,0,0]=4 542 B3R0.2 N=C(N)N HR109979 [2,0,0,0,0,0|2,0,0]=4 543 B3R0.2 N=C(N)N HR137354 [2,0,0,0,0,0|2,0,0]=4 544 B3R0.2 N=C(N)N HR138119 [2,0,0,0,0,0|2,0,0]=4 545 B3R0.2 N=C(N)N HR147623 [2,0,0,0,0,0|2,0,0]=4 546 B3R0.2 NC(=O)Cl HR134935 [2,0,0,0,0,0|1,0,0]=3 547 B3R0.2 NC(=S)[S-] HR118054 [2,0,0,0,0,0|0,2,0]=4 548 B3R0.2 NC(N)=O AZXF00309 [2,0,0,0,0,0|1,0,0]=3 549 B3R0.2 NC(N)=O HR127948 [2,0,0,0,0,0|1,0,0]=3 550 B3R0.2 NC(N)=O HR147742 [2,0,0,0,0,0|1,0,0]=3 551 B3R0.2 NC(N)=S AVCQ00602 [2,0,0,0,0,0|1,1,0]=4 552 B3R0.2 O=C(Cl)Cl HR128987 [2,0,0,0,0,0|2,0,0]=4 553 B3R0.2 O=C(O)O HR100793 [2,0,0,0,0,0|1,0,0]=3 554 B3R0.2 O=C([O-])O HR100655 [2,0,0,0,0,0|1,0,0]=3 555 B3R0.2 O=C([O-])O HR100759 [2,0,0,0,0,0|1,0,0]=3 556 B3R0.2 O=C([O-])O HR101616 [2,0,0,0,0,0|1,0,0]=3 557 B3R0.2 O=C([O-])O HR101676 [2,0,0,0,0,0|1,0,0]=3 558 B3R0.2 O=C([O-])O HR101797 [2,0,0,0,0,0|1,0,0]=3 559 B3R0.2 O=C([O-])O HR115471 [2,0,0,0,0,0|1,0,0]=3 560 B3R0.2 O=C([O-])O HR118195 [2,0,0,0,0,0|1,0,0]=3 561 B3R0.2 O=C([O-])O HR122654 [2,0,0,0,0,0|1,0,0]=3 562 B3R0.2 O=C([O-])[O-] FEXF010 [2,0,0,0,0,0|1,0,1]=4 563 B3R0.2 O=C([O-])[O-] HR100418 [2,0,0,0,0,0|1,0,1]=4 564 B3R0.2 O=C([O-])[O-] HR100733 [2,0,0,0,0,0|1,0,1]=4 565 B3R0.2 O=C([O-])[O-] HR100927 [2,0,0,0,0,0|1,0,1]=4 566 B3R0.2 O=C([O-])[O-] HR101351 [2,0,0,0,0,0|1,0,1]=4 567 B3R0.2 O=C([O-])[O-] HR101390 [2,0,0,0,0,0|1,0,1]=4 568 B3R0.2 O=C([O-])[O-] HR101416 [2,0,0,0,0,0|1,0,1]=4 569 B3R0.2 O=C([O-])[O-] HR101644 [2,0,0,0,0,0|1,0,1]=4 570 B3R0.2 O=C([O-])[O-] HR102880 [2,0,0,0,0,0|1,0,1]=4 571 B3R0.2 O=C([O-])[O-] HR103510 [2,0,0,0,0,0|1,0,1]=4 572 B3R0.2 O=C([O-])[O-] HR108875 [2,0,0,0,0,0|1,0,1]=4 573 B3R0.2 O=C([O-])[O-] HR121817 [2,0,0,0,0,0|1,0,1]=4 574 B3R0.2 O=C([O-])[O-] HR122918 [2,0,0,0,0,0|1,0,1]=4 575 B3R0.2 O=C([O-])[O-] HR128512 [2,0,0,0,0,0|1,0,1]=4 576 B3R0.2 O=C([O-])[O-] HR128774 [2,0,0,0,0,0|1,0,1]=4 577 B3R0.2 O=C([O-])[O-] HR128951 [2,0,0,0,0,0|1,0,1]=4 578 B3R0.2 O=C([O-])[O-] HR129215 [2,0,0,0,0,0|1,0,1]=4 579 B3R0.2 O=C([O-])[O-] HR129240 [2,0,0,0,0,0|1,0,1]=4 580 B3R0.2 O=C([O-])[O-] HR129495 [2,0,0,0,0,0|1,0,1]=4 581 B3R0.2 O=C([O-])[O-] HR129753 [2,0,0,0,0,0|1,0,1]=4 582 B3R0.2 O=C([O-])[O-] HR130070 [2,0,0,0,0,0|1,0,1]=4 583 B3R0.2 O=C([O-])[O-] HR132486 [2,0,0,0,0,0|1,0,1]=4 584 B3R0.2 O=C([O-])[O-] HR132642 [2,0,0,0,0,0|1,0,1]=4 585 B3R0.2 O=C([O-])[O-] HR137979 [2,0,0,0,0,0|1,0,1]=4 586 B3R0.2 O=C([O-])[O-] HR138144 [2,0,0,0,0,0|1,0,1]=4 587 B3R0.2 O=C([O-])[O-] HR138405 [2,0,0,0,0,0|1,0,1]=4 588 B3R0.2 O=C([O-])[O-] HR145434 [2,0,0,0,0,0|1,0,1]=4 589 B3R0.2 O=S(O)O HR100386 [2,0,0,0,0,0|2,0,0]=4 590 B3R0.2 O=S(O)O HR101764 [2,0,0,0,0,0|2,0,0]=4 591 B3R0.2 O=S([O-])O HR122861 [2,0,0,0,0,0|2,0,0]=4 592 B3R0.2 O=[N+]([O-])O HR100487 [2,0,0,0,0,0|2,0,0]=4 593 B3R0.2 O=[N+]([O-])O HR147593 [2,0,0,0,0,0|2,0,0]=4 594 B3R0.2 O=[Si](O)O HR136637 [2,0,0,0,0,0|1,1,0]=4 595 B3R0.2 O=[Sn](O)O HR126016 [2,0,0,0,0,0|2,0,0]=4 596 B3R0.2 [Li]C(C)C HR113525 [2,0,0,0,0,0|1,0,1]=4 597 B5R0.1 C#CCC(=O)O HR107056 [1,1,0,0,0,0|0,0,1]=3 598 B5R0.1 C=C(C)CCO HR139358 [1,1,0,0,0,0|2,0,0]=4 599 B5R0.1 C=C(C)OCC HR135003 [1,1,0,0,0,0|2,0,0]=4 600 B5R0.1 C=CCC(=O)O HR124911 [1,1,0,0,0,0|0,0,1]=3 601 B5R0.1 C=CCC(C)O HR101482 [1,1,0,0,0,0|2,0,0]=4 602 B5R0.1 C=CCC(C)O HR144395 [1,1,0,0,0,0|2,0,0]=4 603 B5R0.1 C=COC(C)C HR122658 [1,1,0,0,0,0|2,0,0]=4 604 B5R0.1 CC#CC(=O)O HR16226 [1,1,0,0,0,0|0,0,1]=3 605 B5R0.1 CC(=O)CCCl HR106274 [1,1,0,0,0,0|1,0,0]=3 606 B5R0.1 CC(=O)CCO HR131203 [1,1,0,0,0,0|1,0,0]=3 607 B5R0.1 CC(=O)NCO HR105862 [1,1,0,0,0,0|2,0,0]=4 608 B5R0.1 CC(=O)OC=O HR100841 [1,1,0,0,0,0|1,0,1]=4 609 B5R0.1 CC(=O)OCBr HR127457 [1,1,0,0,0,0|2,0,0]=4 610 B5R0.1 CC(=O)OCCl HR101207 [1,1,0,0,0,0|2,0,0]=4 611 B5R0.1 CC(=O)\C=N\O HR126710 [1,1,0,0,0,0|1,0,1]=4 612 B5R0.1 CC(C)=CC=O HR138342 [1,1,0,0,0,0|1,0,1]=4 613 B5R0.1 CC(C)=CCN HR114772 [1,1,0,0,0,0|2,0,0]=4 614 B5R0.1 CC(C)=CCO HR138609 [1,1,0,0,0,0|1,0,1]=4 615 B5R0.1 CC(C)O[AlH3]=O HR145538 [1,1,0,0,0,0|2,0,0]=4 616 B5R0.1 CC(N)CCO HR115385 [1,1,0,0,0,0|0,0,1]=3 617 B5R0.1 CC(N)CCO HR116440 [1,1,0,0,0,0|0,0,1]=3 618 B5R0.1 CC(N)CCO HR148505 [1,1,0,0,0,0|0,0,1]=3 619 B5R0.1 CC(O)CCO HR109448 [1,1,0,0,0,0|1,0,1]=4 620 B5R0.1 CC(O)CCO HR135973 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.1 CCCB(O)O HR138252 [1,1,0,0,0,0|1,0,1]=4 622 B5R0.1 CCCC(=N)N HR126811 [1,1,0,0,0,0|2,0,0]=4 623 B5R0.1 CCCC(=O)Cl HR147587 [1,1,0,0,0,0|1,0,0]=3 624 B5R0.1 CCCC(=O)[O-] HR129884 [1,1,0,0,0,0|0,0,1]=3 625 B5R0.1 CCCC(=O)[O-] HR137474 [1,1,0,0,0,0|0,0,1]=3 626 B5R0.1 CCCC(C)N HR107397 [1,1,0,0,0,0|1,0,1]=4 627 B5R0.1 CCCC(C)O HR136841 [1,1,0,0,0,0|1,0,1]=4 628 B5R0.1 CCCC(C)O HR137349 [1,1,0,0,0,0|1,0,1]=4 629 B5R0.1 CCCC(N)=O HR137715 [1,1,0,0,0,0|1,0,0]=3 630 B5R0.1 CCNC(C)=O HR100775 [1,1,0,0,0,0|1,0,0]=3 631 B5R0.1 CCNC(N)=O HR126748 [1,1,0,0,0,0|1,0,0]=3 632 B5R0.1 CCNC(N)=[NH2+] HR145586 [1,1,0,0,0,0|2,0,0]=4 633 B5R0.1 CCOC(=N)N HR110036 [1,1,0,0,0,0|2,0,0]=4 634 B5R0.1 CCOC(=O)Cl IVSA07702 [1,1,0,0,0,0|1,0,0]=3 635 B5R0.1 CCOC(=S)[S-] HR127593 [1,1,0,0,0,0|0,2,0]=4 636 B5R0.1 CCOC(C)=N HR126641 [1,1,0,0,0,0|2,0,0]=4 637 B5R0.1 CCOC(N)=O HR123919 [1,1,0,0,0,0|1,0,0]=3 638 B5R0.1 CCSC(C)=O HR138399 [1,1,0,0,0,0|1,0,0]=3 639 B5R0.1 CCSC(C)=S HR129552 [1,1,0,0,0,0|1,1,0]=4 640 B5R0.1 CNCC(=O)O HR132326 [1,1,0,0,0,0|0,0,0]=2 641 B5R0.1 CNCC(=O)[O-] HR133335 [1,1,0,0,0,0|0,0,1]=3 642 B5R0.1 COCC(=N)N HR105552 [1,1,0,0,0,0|2,0,0]=4 643 B5R0.1 COCC(=O)Cl HR138385 [1,1,0,0,0,0|1,0,0]=3 644 B5R0.1 COCC(=O)O HR137614 [1,1,0,0,0,0|0,0,0]=2 645 B5R0.1 COCC(C)=O HR124731 [1,1,0,0,0,0|1,0,0]=3 646 B5R0.1 COCC(C)N HR140312 [1,1,0,0,0,0|0,0,1]=3 647 B5R0.1 COCC(C)O HR106636 [1,1,0,0,0,0|1,0,1]=4 648 B5R0.1 COCC(C)O HR128113 [1,1,0,0,0,0|1,0,1]=4 649 B5R0.1 COCC(C)O HR1904 [1,1,0,0,0,0|1,0,1]=4 650 B5R0.1 CSCC(C)=O HR104929 [1,1,0,0,0,0|1,0,0]=3 651 B5R0.1 CSCC(N)=O HR105921 [1,1,0,0,0,0|1,0,0]=3 652 B5R0.1 C\C(N)=C/C#N HR126883 [1,1,0,0,0,0|1,0,1]=4 653 B5R0.1 C\C=C\C(=O)Cl HR100850 [1,1,0,0,0,0|1,0,1]=4 654 B5R0.1 C\C=C\C(=O)Cl HR133043 [1,1,0,0,0,0|1,0,1]=4 655 B5R0.1 N#CCC(=O)O HR146964 [1,1,0,0,0,0|0,0,1]=3 656 B5R0.1 N#CCC(N)=O HR124127 [1,1,0,0,0,0|1,0,1]=4 657 B5R0.1 NC(=O)CCO HR101159 [1,1,0,0,0,0|1,0,0]=3 658 B5R0.1 NC(=O)NCO HR121643 [1,1,0,0,0,0|2,0,0]=4 659 B5R0.1 NCCC(=O)O HR120135 [1,1,0,0,0,0|0,0,0]=2 660 B5R0.1 NCCC(=O)O HR136538 [1,1,0,0,0,0|0,0,0]=2 661 B5R0.1 NCCC(N)=O HR123050 [1,1,0,0,0,0|1,0,0]=3 662 B5R0.1 NOCC(=O)O HR107090 [1,1,0,0,0,0|0,0,0]=2 663 B5R0.1 O=C(Cl)CCBr HR132550 [1,1,0,0,0,0|1,0,0]=3 664 B5R0.1 O=C(Cl)CCCl HR125686 [1,1,0,0,0,0|1,0,0]=3 665 B5R0.1 O=C(O)CCBr HR146768 [1,1,0,0,0,0|0,0,0]=2 666 B5R0.1 O=C(O)CCI HR118002 [1,1,0,0,0,0|0,0,0]=2 667 B5R0.1 O=C(O)CCO HR12598 [1,1,0,0,0,0|0,0,0]=2 668 B5R0.1 O=C(O)CCS BACQ02107 [1,1,0,0,0,0|0,0,0]=2 669 B5R0.1 O=C(O)\C=C\I HR145754 [1,1,0,0,0,0|0,0,2]=4 670 B5R0.1 O=[N+]([O-])CCO HR122802 [1,1,0,0,0,0|1,0,1]=4 671 B5R0.3 C#CC(=O)OC HR133415 [1,1,0,0,0,0|0,0,2]=4 672 B5R0.3 C#CC(O)CC HR141891 [1,1,0,0,0,0|1,0,1]=4 673 B5R0.3 C=C(C=O)CC HR137788 [1,1,0,0,0,0|1,0,0]=3 674 B5R0.3 C=C(CO)CO HR129279 [1,1,0,0,0,0|2,0,0]=4 675 B5R0.3 C=CC(=O)CBr HR146340 [1,1,0,0,0,0|2,0,0]=4 676 B5R0.3 C=CC(=O)CBr HR146362 [1,1,0,0,0,0|2,0,0]=4 677 B5R0.3 C=CC(=O)OC LECQ00902 [1,1,0,0,0,0|0,0,2]=4 678 B5R0.3 C=CC(C)C#N HR106044 [1,1,0,0,0,0|1,0,1]=4 679 B5R0.3 C=CC(N)CO HR146014 [1,1,0,0,0,0|1,0,0]=3 680 B5R0.3 C=CC(O)CC HR132478 [1,1,0,0,0,0|1,0,1]=4 681 B5R0.3 C=CC(O)CN HR146126 [1,1,0,0,0,0|1,0,1]=4 682 B5R0.3 C=CC(O)CN HR146127 [1,1,0,0,0,0|1,0,1]=4 683 B5R0.3 C=CC(O)CN HR146128 [1,1,0,0,0,0|1,0,1]=4 684 B5R0.3 C=CC(O)CO HR120607 [1,1,0,0,0,0|2,0,0]=4 685 B5R0.3 CC(CN)CN HR111998 [1,1,0,0,0,0|1,0,1]=4 686 B5R0.3 CC(CN)CO HR105025 [1,1,0,0,0,0|0,0,1]=3 687 B5R0.3 CC(CO)CO HR120700 [1,1,0,0,0,0|1,0,1]=4 688 B5R0.3 CCC(=N)NO HR117947 [1,1,0,0,0,0|1,0,0]=3 689 B5R0.3 CCC(=O)CBr HR101618 [1,1,0,0,0,0|1,0,0]=3 690 B5R0.3 CCC(=O)NC HR138361 [1,1,0,0,0,0|1,0,0]=3 691 B5R0.3 CCC(=S)OC HR134757 [1,1,0,0,0,0|0,1,0]=3 692 B5R0.3 CCC(C)C=O HR108130 [1,1,0,0,0,0|1,0,0]=3 693 B5R0.3 CCC(C)CO HR133183 [1,1,0,0,0,0|1,0,1]=4 694 B5R0.3 CCC(N)CC HR124629 [1,1,0,0,0,0|1,0,1]=4 695 B5R0.3 CCC(N)CO AUSA03801 [1,1,0,0,0,0|0,0,1]=3 696 B5R0.3 CCC(N)CO HR129875 [1,1,0,0,0,0|0,0,1]=3 697 B5R0.3 CCC(N)CO HR145232 [1,1,0,0,0,0|0,0,1]=3 698 B5R0.3 CCC(O)CC HR127807 [1,1,0,0,0,0|1,0,1]=4 699 B5R0.3 CCC(O)CN HR103501 [1,1,0,0,0,0|1,0,1]=4 700 B5R0.3 CCC(O)CO HR101364 [1,1,0,0,0,0|0,0,2]=4 701 B5R0.3 CCC(O)CO HR108310 [1,1,0,0,0,0|0,0,2]=4 702 B5R0.3 CCC(O)CO HR112215 [1,1,0,0,0,0|0,0,2]=4 703 B5R0.3 CCN(O)CC HR136115 [1,1,0,0,0,0|2,0,0]=4 704 B5R0.3 CCS(=O)CC HR101279 [1,1,0,0,0,0|2,0,0]=4 705 B5R0.3 CNC(=O)CBr HR108109 [1,1,0,0,0,0|2,0,0]=4 706 B5R0.3 CNC(=O)NC HR124408 [1,1,0,0,0,0|2,0,0]=4 707 B5R0.3 COC(=N)OC HR100139 [1,1,0,0,0,0|2,0,0]=4 708 B5R0.3 COC(=O)C=O HR131069 [1,1,0,0,0,0|1,0,1]=4 709 B5R0.3 COC(=O)CBr HR147010 [1,1,0,0,0,0|1,0,0]=3 710 B5R0.3 COC(=O)CCl HR147665 [1,1,0,0,0,0|1,0,0]=3 711 B5R0.3 COC(=O)CF HR147087 [1,1,0,0,0,0|1,0,0]=3 712 B5R0.3 COC(=O)CN VAJB00904 [1,1,0,0,0,0|0,0,0]=2 713 B5R0.3 COC(=O)CO HR136159 [1,1,0,0,0,0|1,0,0]=3 714 B5R0.3 COC(=O)CS HR136418 [1,1,0,0,0,0|1,0,0]=3 715 B5R0.3 COC(=O)NN HR17404 [1,1,0,0,0,0|1,0,0]=3 716 B5R0.3 COC(C)CN HR145932 [1,1,0,0,0,0|1,0,1]=4 717 B5R0.3 COC(C)CN HR145933 [1,1,0,0,0,0|1,0,1]=4 718 B5R0.3 COC(C)CN HR145964 [1,1,0,0,0,0|1,0,1]=4 719 B5R0.3 COC(C)CN HR146148 [1,1,0,0,0,0|1,0,1]=4 720 B5R0.3 COC(C)CO HR101756 [1,1,0,0,0,0|1,0,1]=4 721 B5R0.3 COS(=O)OC HR128367 [1,1,0,0,0,0|2,0,0]=4 722 B5R0.3 CO[PH](=O)OC HR135600 [1,1,0,0,0,0|2,0,0]=4 723 B5R0.3 CS\C(C)=N\O HR131867 [1,1,0,0,0,0|2,0,0]=4 724 B5R0.3 C\C=C(\C)C=O HR112466 [1,1,0,0,0,0|1,0,1]=4 725 B5R0.3 C\C=C(\C)C=O HR139746 [1,1,0,0,0,0|1,0,1]=4 726 B5R0.3 NC(CO)CO HR136419 [1,1,0,0,0,0|0,0,1]=3 727 B5R0.3 NC(CO)CO HR136933 [1,1,0,0,0,0|0,0,1]=3 728 B5R0.3 NCC(O)CCl HR33275 [1,1,0,0,0,0|1,0,1]=4 729 B5R0.3 NCC(O)CF HR151139 [1,1,0,0,0,0|1,0,1]=4 730 B5R0.3 NCC(O)CN HR135716 [1,1,0,0,0,0|1,0,1]=4 731 B5R0.3 NCC(O)CO HR133362 [1,1,0,0,0,0|0,0,2]=4 732 B5R0.3 NCC(O)CO HR135112 [1,1,0,0,0,0|0,0,2]=4 733 B5R0.3 NCC(O)CO HR5712 [1,1,0,0,0,0|0,0,2]=4 734 B5R0.3 NNC(=O)NN HR136147 [1,1,0,0,0,0|2,0,0]=4 735 B5R0.3 N\C=C(/Cl)C=O HR110752 [1,1,0,0,0,0|1,0,1]=4 736 B5R0.3 O=C(CBr)CBr HR100914 [1,1,0,0,0,0|2,0,0]=4 737 B5R0.3 O=C(CCl)CCl HR147139 [1,1,0,0,0,0|2,0,0]=4 738 B5R0.3 O=C(CO)CO HR136414 [1,1,0,0,0,0|1,0,0]=3 739 B5R0.3 O=CC(Br)C=O HR122485 [1,1,0,0,0,0|1,0,1]=4 740 B5R0.3 O=CC(Br)CBr HR127791 [1,1,0,0,0,0|1,0,0]=3 741 B5R0.3 O=CC(O)CO HR110417 [1,1,0,0,0,0|1,0,0]=3 742 B5R0.3 O=CC(O)CO HR6339 [1,1,0,0,0,0|1,0,0]=3 743 B5R0.3 OCC(Br)CBr HR127514 [1,1,0,0,0,0|1,0,1]=4 744 B5R0.3 OCC(Cl)CCl HR123630 [1,1,0,0,0,0|1,0,1]=4 745 B5R0.3 OCC(O)CCl HR147009 [1,1,0,0,0,0|1,0,1]=4 746 B5R0.3 OCC(O)CCl HR34181 [1,1,0,0,0,0|1,0,1]=4 747 B5R0.3 OCC(O)CCl HR5741 [1,1,0,0,0,0|1,0,1]=4 748 B5R0.3 OCC(O)CF HR116790 [1,1,0,0,0,0|1,0,1]=4 749 B5R0.3 OCC(O)CO HR101833 [1,1,0,0,0,0|1,0,1]=4 750 B5R0.3 OCC(O)CS HR138736 [1,1,0,0,0,0|1,0,1]=4 751 B5R0.3 OCC(S)CS HR126983 [1,1,0,0,0,0|1,0,1]=4 752 B5R0.4 C#CC(C)(C)N HR134441 [1,1,0,0,0,0|1,0,1]=4 753 B5R0.4 C=CC(C)(C)C HR133403 [1,1,0,0,0,0|2,0,0]=4 754 B5R0.4 C=CC(C)(C)O HR139173 [1,1,0,0,0,0|2,0,0]=4 755 B5R0.4 CC(C)(C)C=O HR1910 [1,1,0,0,0,0|1,0,0]=3 756 B5R0.4 CC(C)(C)CO HR134947 [1,1,0,0,0,0|1,0,1]=4 757 B5R0.4 CC(C)(C)NO HR111804 [1,1,0,0,0,0|2,0,0]=4 758 B5R0.4 CC(C)(F)CO HR116025 [1,1,0,0,0,0|1,0,1]=4 759 B5R0.4 CC(C)(N)C#N HR110247 [1,1,0,0,0,0|1,0,1]=4 760 B5R0.4 CC(C)(N)CN HR33168 [1,1,0,0,0,0|1,0,1]=4 761 B5R0.4 CC(C)(N)CO HR101551 [1,1,0,0,0,0|0,0,1]=3 762 B5R0.4 CC(C)(N)CO HR137135 [1,1,0,0,0,0|0,0,1]=3 763 B5R0.4 CC(C)(N)CO HR2208 [1,1,0,0,0,0|0,0,1]=3 764 B5R0.4 CC(C)(O)CN HR119672 [1,1,0,0,0,0|1,0,1]=4 765 B5R0.4 CC(C)(O)CO HR110394 [1,1,0,0,0,0|1,0,1]=4 766 B5R0.4 CC(F)(F)CO HR129092 [1,1,0,0,0,0|1,0,1]=4 767 B5R0.4 CCC(C)(C)N HR144592 [1,1,0,0,0,0|1,0,1]=4 768 B5R0.4 CCS(=O)(=O)Cl HR132858 [1,1,0,0,0,0|1,0,1]=4 769 B5R0.4 CCS(=O)(=O)O HR132580 [1,1,0,0,0,0|1,0,0]=3 770 B5R0.4 CCS(C)(=O)=O HR107675 [1,1,0,0,0,0|1,0,1]=4 771 B5R0.4 CCS(N)(=O)=O HR132309 [1,1,0,0,0,0|1,0,1]=4 772 B5R0.4 NCS(=O)(=O)O HR124537 [1,1,0,0,0,0|1,0,0]=3 773 B5R0.4 NOS(=O)(=O)O HR136217 [1,1,0,0,0,0|2,0,0]=4 774 B5R0.4 O=CC(F)(F)F HR101622 [1,1,0,0,0,0|2,0,0]=4 775 B5R0.4 O=CC(F)(F)F HR103748 [1,1,0,0,0,0|2,0,0]=4 776 B5R0.4 O=P(O)(O)CCl HR104795 [1,1,0,0,0,0|2,0,0]=4 777 B7R0.2 C=CC(=O)NC(C)C HR138308 [0,1,0,0,0,1|2,0,0]=4 778 B7R0.2 CC(=O)OC(Br)CBr HR133286 [0,1,0,0,0,1|2,0,0]=4 779 B7R0.2 CC(=O)OC(Cl)CCl HR133017 [0,1,0,0,0,1|2,0,0]=4 780 B7R0.2 CC(C)NC(=O)CBr HR117083 [0,1,0,0,0,1|2,0,0]=4 781 B7R0.2 CC(C)OC(=O)CN HR105079 [0,1,0,0,0,1|2,0,0]=4 782 B7R0.2 CC(C)OC(=O)CN HR117760 [0,1,0,0,0,1|2,0,0]=4 783 B7R0.2 CC(C)OC(=O)CO HR105901 [0,1,0,0,0,1|1,0,0]=3 784 B7R0.2 CCC(C)CC(=O)O HR11273 [0,1,0,0,0,1|1,0,0]=3 785 B7R0.2 CCC(C)CC(=O)O HR135865 [0,1,0,0,0,1|1,0,0]=3 786 B7R0.2 CCC(C)NC(N)=O HR114250 [0,1,0,0,0,1|2,0,0]=4 787 B7R0.2 CCC(C)OC(=O)[O-] HR144165 [0,1,0,0,0,1|1,0,1]=4 788 B7R0.2 CCC(N)CC(=O)O HR114631 [0,1,0,0,0,1|0,0,0]=2 789 B7R0.2 CCC(N)CC(=O)O HR143295 [0,1,0,0,0,1|0,0,0]=2 790 B7R0.2 CCC(N)CC(=O)O HR147022 [0,1,0,0,0,1|0,0,0]=2 791 B7R0.2 COC(=O)C=C(C)C HR125078 [0,1,0,0,0,1|1,0,1]=4 792 B7R0.2 COC(=O)CC(C)=O TECQ03701 [0,1,0,0,0,1|1,0,1]=4 793 B7R0.2 COC(=O)CC(C)N HR119861 [0,1,0,0,0,1|0,0,0]=2 794 B7R0.2 COC(=O)CC(C)N HR143484 [0,1,0,0,0,1|0,0,0]=2 795 B7R0.2 COC(=O)CC(C)O HR138815 [0,1,0,0,0,1|1,0,0]=3 796 B7R0.2 COC(=O)CC(N)=O HR118636 [0,1,0,0,0,1|1,0,1]=4 797 B7R0.2 COC(=O)\C=C(/C)N HR138334 [0,1,0,0,0,1|0,0,1]=3 798 B7R0.2 CSC(=O)CC(C)C HR122226 [0,1,0,0,0,1|1,1,0]=4 799 B7R0.2 C\C(CC(C)C)=N/O HR128219 [0,1,0,0,0,1|2,0,0]=4 800 B7R0.2 NCC(O)CC(=O)O HR137304 [0,1,0,0,0,1|1,0,0]=3 801 B7R0.2 NCC(O)CC(=O)[O-] HR128768 [0,1,0,0,0,1|1,0,1]=4 802 B7R0.9 CC(=O)CC(C)(C)S HR124484 [0,1,0,0,0,1|2,0,0]=4 803 B7R0.9 CC(=O)OC(C)(C)C HR147076 [0,1,0,0,0,1|2,0,0]=4 804 B7R0.9 CC(C)(C)CC(=O)Cl HR124713 [0,1,0,0,0,1|2,0,0]=4 805 B7R0.9 CC(C)(C)CC(=O)O HR132975 [0,1,0,0,0,1|1,0,0]=3 806 B7R0.9 CC(C)(C)NC(N)=O HR126222 [0,1,0,0,0,1|2,0,0]=4 807 B7R0.9 CC(C)(C)OC(N)=O HR122401 [0,1,0,0,0,1|2,0,0]=4 808 B7R0.9 CC(C)(N)CC(=O)O HR107222 [0,1,0,0,0,1|0,0,0]=2 809 B7R0.9 CC(C)(N)CC(=O)O HR148652 [0,1,0,0,0,1|0,0,0]=2 810 B7R0.9 CC(C)(O)CC(=O)O HR136960 [0,1,0,0,0,1|1,0,0]=3 811 B7R0.9 CC(C)(O)CC(=O)[O-] HR140891 [0,1,0,0,0,1|1,0,1]=4 812 B7R0.9 C[N+](C)(C)CC(=O)O HR130542 [0,1,0,0,0,1|2,0,0]=4 813 B7R0.9 C[Si](C)(C)CC(=O)O HR108462 [0,1,0,0,0,1|1,1,0]=4 814 B7R0.9 O=C(O)CC(F)(F)F HR137531 [0,1,0,0,0,1|2,0,0]=4 815 B7R0.16 CC(=O)C(=O)C(C)C HR141113 [0,1,0,0,0,1|2,0,0]=4 816 B7R0.16 CC(Br)C(Br)C(=O)O HR127665 [0,1,0,0,0,1|1,0,0]=3 817 B7R0.16 CC(C)C(=O)C(=O)O HR136485 [0,1,0,0,0,1|1,0,0]=3 818 B7R0.16 CC(C)C(=O)C(=O)[O-] HR127707 [0,1,0,0,0,1|1,0,1]=4 819 B7R0.16 CC(C)C(=O)C(=O)[O-] HR137721 [0,1,0,0,0,1|1,0,1]=4 820 B7R0.16 CC(C)C(Br)C(=O)Br HR136438 [0,1,0,0,0,1|2,0,0]=4 821 B7R0.16 CC(C)C(Br)C(=O)O HR115414 [0,1,0,0,0,1|1,0,0]=3 822 B7R0.16 CC(C)C(Br)C(=O)O HR124122 [0,1,0,0,0,1|1,0,0]=3 823 B7R0.16 CC(C)C(Br)C(=O)O HR137032 [0,1,0,0,0,1|1,0,0]=3 824 B7R0.16 CC(C)C(Cl)C(=O)O HR103881 [0,1,0,0,0,1|1,0,0]=3 825 B7R0.16 CC(C)C(F)C(=O)O HR116661 [0,1,0,0,0,1|1,0,0]=3 826 B7R0.16 CC(C)C(N)C(=O)O HR126445 [0,1,0,0,0,1|1,0,0]=3 827 B7R0.16 CC(C)C(N)C(=O)O HR130729 [0,1,0,0,0,1|1,0,0]=3 828 B7R0.16 CC(C)C(N)C(=O)O HR134362 [0,1,0,0,0,1|1,0,0]=3 829 B7R0.16 CC(C)C(N)C(=O)O HR141699 [0,1,0,0,0,1|1,0,0]=3 830 B7R0.16 CC(C)C(N)C(N)=O HR112915 [0,1,0,0,0,1|2,0,0]=4 831 B7R0.16 CC(C)C(N)C(N)=O HR122778 [0,1,0,0,0,1|2,0,0]=4 832 B7R0.16 CC(C)C(O)C(=O)O HR124143 [0,1,0,0,0,1|1,0,0]=3 833 B7R0.16 CC(O)C(N)C(=O)O HR126335 [0,1,0,0,0,1|1,0,0]=3 834 B7R0.16 CC(O)C(N)C(=O)O HR128851 [0,1,0,0,0,1|1,0,0]=3 835 B7R0.16 CC(O)C(N)C(=O)O HR129391 [0,1,0,0,0,1|1,0,0]=3 836 B7R0.16 CC(O)C(N)C(=O)O HR129491 [0,1,0,0,0,1|1,0,0]=3 837 B7R0.16 CC(O)C(N)C(=O)O HR135216 [0,1,0,0,0,1|1,0,0]=3 838 B7R0.16 CC(O)C(N)C(=O)O HR138779 [0,1,0,0,0,1|1,0,0]=3 839 B7R0.16 CC(O)C(N)C(N)=O RASA04107 [0,1,0,0,0,1|2,0,0]=4 840 B7R0.16 CN(C)C(=O)C(=O)O HR118982 [0,1,0,0,0,1|2,0,0]=4 841 B7R0.5 C#CCC(N)C(=O)O HR133685 [0,2,0,0,0,0|0,0,0]=2 842 B7R0.5 C#CCC(N)C(=O)O HR135675 [0,2,0,0,0,0|0,0,0]=2 843 B7R0.5 C#CCC(N)C(=O)O HR135939 [0,2,0,0,0,0|0,0,0]=2 844 B7R0.5 C=C(C)C(=O)NCO HR114687 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.5 C=CCC(C)C(=O)O HR143156 [0,2,0,0,0,0|1,0,0]=3 846 B7R0.5 C=CCC(N)C(=O)O HR106860 [0,2,0,0,0,0|0,0,0]=2 847 B7R0.5 C=CCC(N)C(=O)O HR119232 [0,2,0,0,0,0|0,0,0]=2 848 B7R0.5 C=CCC(N)C(=O)O HR134381 [0,2,0,0,0,0|0,0,0]=2 849 B7R0.5 C=CCC(N)C(=O)O HR136466 [0,2,0,0,0,0|0,0,0]=2 850 B7R0.5 C=CCC(N)C(=O)O HR138518 [0,2,0,0,0,0|0,0,0]=2 851 B7R0.5 CC(C)C(=O)OCCl HR116048 [0,2,0,0,0,0|1,0,0]=3 852 B7R0.5 CCCC(=O)C(=O)O HR138596 [0,2,0,0,0,0|1,0,1]=4 853 B7R0.5 CCCC(=O)C(C)C HR130078 [0,2,0,0,0,0|2,0,0]=4 854 B7R0.5 CCCC(Br)C(=O)Cl HR140278 [0,2,0,0,0,0|2,0,0]=4 855 B7R0.5 CCCC(Br)C(=O)O HR114924 [0,2,0,0,0,0|1,0,0]=3 856 B7R0.5 CCCC(C)C(=O)O HR131664 [0,2,0,0,0,0|1,0,0]=3 857 B7R0.5 CCCC(N)C(=O)O HR122649 [0,2,0,0,0,0|0,0,0]=2 858 B7R0.5 CCCC(N)C(=O)O HR136723 [0,2,0,0,0,0|0,0,0]=2 859 B7R0.5 CCCC(N)C(=O)O HR138486 [0,2,0,0,0,0|0,0,0]=2 860 B7R0.5 CCOC(=O)C(C)=O HR135005 [0,2,0,0,0,0|1,0,1]=4 861 B7R0.5 CCOC(=O)C(C)Br HR123330 [0,2,0,0,0,0|1,0,0]=3 862 B7R0.5 CCOC(=O)C(C)C BEJL02302 [0,2,0,0,0,0|1,0,0]=3 863 B7R0.5 CCOC(=O)C(C)F HR137458 [0,2,0,0,0,0|1,0,0]=3 864 B7R0.5 CCOC(=O)C(C)N HR113453 [0,2,0,0,0,0|0,0,0]=2 865 B7R0.5 CCOC(=O)C(C)N HR123317 [0,2,0,0,0,0|0,0,0]=2 866 B7R0.5 CCOC(=O)C(C)N HR129365 [0,2,0,0,0,0|0,0,0]=2 867 B7R0.5 CCOC(=O)C(C)O HR100136 [0,2,0,0,0,0|1,0,0]=3 868 B7R0.5 CCOC(=O)C(C)O HR15558 [0,2,0,0,0,0|1,0,0]=3 869 B7R0.5 CCOC(=O)C(C)S HR126591 [0,2,0,0,0,0|1,0,0]=3 870 B7R0.5 CCOC(=O)C(F)Br HR137876 [0,2,0,0,0,0|2,0,0]=4 871 B7R0.5 CCOC(=O)C(F)Cl HR115827 [0,2,0,0,0,0|2,0,0]=4 872 B7R0.5 CCOC(=O)C(F)F HR123633 [0,2,0,0,0,0|2,0,0]=4 873 B7R0.5 CC\C=C(\C)C(=O)O HR131305 [0,2,0,0,0,0|1,0,1]=4 874 B7R0.5 CC\C=C(\C)C(=O)O HR138938 [0,2,0,0,0,0|1,0,1]=4 875 B7R0.5 CNCC(N)C(=O)O HR146211 [0,2,0,0,0,0|0,0,0]=2 876 B7R0.5 COCC(N)C(=O)O HR108882 [0,2,0,0,0,0|0,0,0]=2 877 B7R0.5 COCC(N)C(=O)O HR109701 [0,2,0,0,0,0|0,0,0]=2 878 B7R0.5 COCC(N)C(=O)O HR110015 [0,2,0,0,0,0|0,0,0]=2 879 B7R0.5 COCC(N)C(=O)O HR115078 [0,2,0,0,0,0|0,0,0]=2 880 B7R0.5 COCC(N)C(=O)O HR115700 [0,2,0,0,0,0|0,0,0]=2 881 B7R0.5 CSCC(N)C(=O)O HR134174 [0,2,0,0,0,0|0,0,0]=2 882 B7R0.5 NC(CCBr)C(=O)O HR102483 [0,2,0,0,0,0|0,0,0]=2 883 B7R0.5 NC(CCO)C(=O)O HR122160 [0,2,0,0,0,0|0,0,0]=2 884 B7R0.5 NC(CCO)C(=O)O HR127129 [0,2,0,0,0,0|0,0,0]=2 885 B7R0.5 NC(CCO)C(=O)O HR129910 [0,2,0,0,0,0|0,0,0]=2 886 B7R0.5 NC(CCS)C(=O)O HR100636 [0,2,0,0,0,0|0,0,0]=2 887 B7R0.5 NC(CCS)C(=O)O HR137923 [0,2,0,0,0,0|0,0,0]=2 888 B7R0.5 NCCC(N)C(=O)O HR112825 [0,2,0,0,0,0|0,0,0]=2 889 B7R0.5 NCCC(N)C(=O)O HR14752 [0,2,0,0,0,0|0,0,0]=2 890 B7R0.5 O=C(Cl)C(Br)CCBr HR119984 [0,2,0,0,0,0|2,0,0]=4 891 B7R0.5 O=C(O)C(Br)CCBr HR138979 [0,2,0,0,0,0|1,0,0]=3 892 B7R0.10 C=C(CBr)C(=O)OC HR111903 [0,2,0,0,0,0|1,0,1]=4 893 B7R0.10 C=C(CCl)C(=O)OC HR109145 [0,2,0,0,0,0|1,0,1]=4 894 B7R0.10 C=C(CO)C(=O)OC HR105042 [0,2,0,0,0,0|1,0,1]=4 895 B7R0.10 CCC(Br)C(=O)OC HR123363 [0,2,0,0,0,0|1,0,0]=3 896 B7R0.10 CCC(C)C(=O)OC HR133876 [0,2,0,0,0,0|1,0,0]=3 897 B7R0.10 CCC(C)C(=O)OC HR143721 [0,2,0,0,0,0|1,0,0]=3 898 B7R0.10 CCC(C)C(=O)SC HR105243 [0,2,0,0,0,0|1,1,0]=4 899 B7R0.10 CCC(O)C(=O)OC HR144357 [0,2,0,0,0,0|1,0,0]=3 900 B7R0.10 COC(=O)C(=O)CBr HR122614 [0,2,0,0,0,0|1,0,1]=4 901 B7R0.10 COC(=O)C(=O)OC HR147608 [0,2,0,0,0,0|1,0,1]=4 902 B7R0.10 COC(=O)C(Br)CBr HR132839 [0,2,0,0,0,0|1,0,0]=3 903 B7R0.10 COC(=O)C(C)CO HR144262 [0,2,0,0,0,0|1,0,0]=3 904 B7R0.10 COC(=O)C(Cl)CCl HR130110 [0,2,0,0,0,0|1,0,0]=3 905 B7R0.10 COC(=O)C(N)CCl HR117490 [0,2,0,0,0,0|0,0,0]=2 906 B7R0.10 COC(=O)C(N)CO HR126639 [0,2,0,0,0,0|0,0,0]=2 907 B7R0.10 COC(=O)C(N)CO HR134950 [0,2,0,0,0,0|0,0,0]=2 908 B7R0.10 COC(=O)C(N)CO HR136274 [0,2,0,0,0,0|0,0,0]=2 909 B7R0.10 COC(=O)C(N)CO HR146542 [0,2,0,0,0,0|0,0,0]=2 910 B7R0.10 COC(=O)C(N)CS HR136576 [0,2,0,0,0,0|0,0,0]=2 911 B7R0.10 COC(=O)C(O)CO HR119304 [0,2,0,0,0,0|1,0,0]=3 912 B7R0.10 COC(=O)C(O)OC HR135004 [0,2,0,0,0,0|1,0,0]=3 913 B7R0.10 COC(=O)N(C)OC HR148866 [0,2,0,0,0,0|2,0,0]=4 914 B7R0.10 C\C=C(/C)C(=O)OC HR129001 [0,2,0,0,0,0|1,0,1]=4 915 B7R0.10 O=C(CO)C(O)CO HR100190 [0,2,0,0,0,0|1,0,0]=3 916 B7R0.10 O=CC(O)C(O)CO HR100969 [0,2,0,0,0,0|1,0,1]=4 917 B7R0.10 O=CC(O)C(O)CO HR101757 [0,2,0,0,0,0|1,0,1]=4 918 B7R0.13 C#CC(C)(C)C(=O)O HR115026 [0,2,0,0,0,0|1,0,0]=3 919 B7R0.13 CC(Br)(CBr)C(=O)O HR116031 [0,2,0,0,0,0|1,0,0]=3 920 B7R0.13 CC(C)(CCl)C(=O)Cl HR125946 [0,2,0,0,0,0|2,0,0]=4 921 B7R0.13 CC(C)(CN)C(N)=O HR117586 [0,2,0,0,0,0|1,0,0]=3 922 B7R0.13 CC(C)(CO)C(=O)O HR140236 [0,2,0,0,0,0|1,0,0]=3 923 B7R0.13 CC(C)(O[NH3+])C(=O)O HR123732 [0,2,0,0,0,0|0,0,1]=3 924 B7R0.13 CC(N)(CO)C(=O)O HR130651 [0,2,0,0,0,0|0,0,0]=2 925 B7R0.13 CC(O)(CBr)C(=O)O HR104334 [0,2,0,0,0,0|1,0,0]=3 926 B7R0.13 CCC(C)(C)C(=O)Cl HR128409 [0,2,0,0,0,0|2,0,0]=4 927 B7R0.13 CCC(C)(C)C(=O)O HR124650 [0,2,0,0,0,0|1,0,0]=3 928 B7R0.13 CCC(C)(N)C(=O)O HR143390 [0,2,0,0,0,0|0,0,0]=2 929 B7R0.13 CCC(C)(O)C(=O)O HR124635 [0,2,0,0,0,0|1,0,0]=3 930 B7R0.13 NCC(F)(F)C(=O)O HR151254 [0,2,0,0,0,0|1,0,0]=3 931 B7R0.14 CC(C)(C)C(=O)CBr HR138180 [0,2,0,0,0,0|2,0,0]=4 932 B7R0.14 CC(C)(C)C(=O)CCl HR126218 [0,2,0,0,0,0|2,0,0]=4 933 B7R0.14 CC(C)(C)C(=O)CN HR105908 [0,2,0,0,0,0|2,0,0]=4 934 B7R0.14 CC(C)(C)C(=O)CN HR109517 [0,2,0,0,0,0|2,0,0]=4 935 B7R0.14 CC(C)(C)C(=O)NN HR125403 [0,2,0,0,0,0|2,0,0]=4 936 B7R0.14 CCC(N)P(=O)(O)O HR114310 [0,2,0,0,0,0|1,0,0]=3 937 B7R0.14 COC(=O)C(C)(C)Br HR124478 [0,2,0,0,0,0|1,0,0]=3 938 B7R0.14 COC(=O)C(C)(C)F HR126418 [0,2,0,0,0,0|1,0,0]=3 939 B7R0.14 COC(=O)C(C)(C)N HR16472 [0,2,0,0,0,0|0,0,0]=2 940 B7R0.14 COC(=O)C(C)(C)O HR132026 [0,2,0,0,0,0|1,0,0]=3 941 B7R0.14 COC(=O)C(C)(C)S HR144548 [0,2,0,0,0,0|1,0,0]=3 942 B7R0.14 COC(=O)C(F)(F)Cl HR142297 [0,2,0,0,0,0|2,0,0]=4 943 B7R0.14 COC(=O)C(F)(F)F HR130099 [0,2,0,0,0,0|2,0,0]=4 944 B7R0.14 O=C(O[Ag])C(F)(F)F HR100387 [0,2,0,0,0,0|2,0,0]=4 945 B7R0.15 CCC(CC)C(=O)O HR140709 [0,2,0,0,0,0|1,0,0]=3 946 B7R0.15 CCC(CC)C(N)=O HR138630 [0,2,0,0,0,0|2,0,0]=4 947 B7R0.15 CNC(CO)C(=O)O HR112824 [0,2,0,0,0,0|0,0,0]=2 948 B7R0.15 CNC(CS)C(=O)O HR116844 [0,2,0,0,0,0|0,0,0]=2 949 B7R0.15 COC(OC)C(C)=O HR9977 [0,2,0,0,0,0|2,0,0]=4 950 B7R0.15 O=C(O)C(CBr)CBr HR103071 [0,2,0,0,0,0|1,0,0]=3 951 B5R1.2 BrC1COC1 HR115176 [1,0,0,1,0,0|1,0,1]=4 952 B5R1.2 CC1COC1 HR120786 [1,0,0,1,0,0|1,0,1]=4 953 B5R1.2 FC1COC1 HR108703 [1,0,0,1,0,0|1,0,1]=4 954 B5R1.2 IC1COC1 HR115483 [1,0,0,1,0,0|1,0,1]=4 955 B5R1.2 NC1CCC1 HR102182 [1,0,0,1,0,0|1,0,1]=4 956 B5R1.2 NC1CCC1 HR132878 [1,0,0,1,0,0|1,0,1]=4 957 B5R1.2 NC1CNC1 HR109096 [1,0,0,1,0,0|1,0,1]=4 958 B5R1.2 NC1COC1 HR102200 [1,0,0,1,0,0|0,0,1]=3 959 B5R1.2 NC1COC1 HR115802 [1,0,0,1,0,0|0,0,1]=3 960 B5R1.2 NC1CSC1 HR112586 [1,0,0,1,0,0|0,1,1]=4 961 B5R1.2 O=C1CCC1 HR9021 [1,0,0,1,0,0|1,0,0]=3 962 B5R1.2 O=C1CCN1 HR128794 [1,0,0,1,0,0|1,0,0]=3 963 B5R1.2 O=C1CCO1 HR101496 [1,0,0,1,0,0|0,0,0]=2 964 B5R1.2 O=C1CNC1 HR108729 [1,0,0,1,0,0|1,0,0]=3 965 B5R1.2 O=C1CNC1 HR114873 [1,0,0,1,0,0|1,0,0]=3 966 B5R1.2 O=C1COC1 HR111276 [1,0,0,1,0,0|2,0,0]=4 967 B5R1.2 O=C1CSC1 HR105015 [1,0,0,1,0,0|2,0,0]=4 968 B5R1.2 OC1CCC1 HR128363 [1,0,0,1,0,0|1,0,1]=4 969 B5R1.2 OC1CNC1 HR114549 [1,0,0,1,0,0|1,0,1]=4 970 B5R1.2 OC1CNC1 HR30109 [1,0,0,1,0,0|1,0,1]=4 971 B5R1.2 OC1COC1 HR111585 [1,0,0,1,0,0|1,0,1]=4 972 B5R1.3 CCC1CO1 HR112534 [1,0,0,1,0,0|1,0,1]=4 973 B5R1.3 CCC1CO1 HR129561 [1,0,0,1,0,0|1,0,1]=4 974 B5R1.3 O=CC1CC1 HR134105 [1,0,0,1,0,0|1,0,0]=3 975 B5R1.3 OCC1CC1 HR9773 [1,0,0,1,0,0|1,0,1]=4 976 B5R1.3 OCC1CO1 HR101323 [1,0,0,1,0,0|1,0,1]=4 977 B5R1.3 OCC1CO1 HR138217 [1,0,0,1,0,0|1,0,1]=4 978 B5R1.3 OCC1CO1 HR138484 [1,0,0,1,0,0|1,0,1]=4 979 B5R1.4 CC1OC1C HR131286 [1,0,0,1,0,0|1,0,1]=4 980 B5R1.5 CC1(C)CO1 HR111000 [1,0,0,1,0,0|1,0,1]=4 981 B5R1.5 CC1(N)CC1 HR148735 [1,0,0,1,0,0|1,0,1]=4 982 B5R1.5 CC1(O)CC1 HR103926 [1,0,0,1,0,0|1,0,1]=4 983 B7R1.2 CC1=CC(=O)NN1 HR133409 [0,0,0,1,0,1|1,0,1]=4 984 B7R1.2 CC1=CC(=O)OC1 HR118210 [0,0,0,1,0,1|1,0,1]=4 985 B7R1.2 CC1CCC(=O)O1 HR126256 [0,0,0,1,0,1|2,0,0]=4 986 B7R1.2 CC1CNC(=O)C1 HR146359 [0,0,0,1,0,1|2,0,0]=4 987 B7R1.2 CC1CNC(=O)C1 HR146360 [0,0,0,1,0,1|2,0,0]=4 988 B7R1.2 CC1CNC(=O)C1 HR146369 [0,0,0,1,0,1|2,0,0]=4 989 B7R1.2 CC1COC(=O)O1 HR125363 [0,0,0,1,0,1|1,0,0]=3 990 B7R1.2 CC1COC(=O)O1 HR128407 [0,0,0,1,0,1|1,0,0]=3 991 B7R1.2 CC1COC(=O)O1 HR129273 [0,0,0,1,0,1|1,0,0]=3 992 B7R1.2 NC1CCC(=O)C1 HR145995 [0,0,0,1,0,1|1,0,0]=3 993 B7R1.2 NC1CCC(O)C1 HR146093 [0,0,0,1,0,1|1,0,1]=4 994 B7R1.2 NC1CCC(O)C1 HR146099 [0,0,0,1,0,1|1,0,1]=4 995 B7R1.2 NC1CCC(O)C1 HR146100 [0,0,0,1,0,1|1,0,1]=4 996 B7R1.2 NC1CCC(O)C1 HR146101 [0,0,0,1,0,1|1,0,1]=4 997 B7R1.2 NC1CCC(O)C1 HR146102 [0,0,0,1,0,1|1,0,1]=4 998 B7R1.2 NC1CCC(O)C1 HR146103 [0,0,0,1,0,1|1,0,1]=4 999 B7R1.2 NC1CCC(O)C1 HR146104 [0,0,0,1,0,1|1,0,1]=4 1000 B7R1.2 NC1CCC(O)C1 HR146105 [0,0,0,1,0,1|1,0,1]=4 1001 B7R1.2 NC1CCC(O)C1 HR148648 [0,0,0,1,0,1|1,0,1]=4 1002 B7R1.2 NC1CCC(O)C1 HR30204 [0,0,0,1,0,1|1,0,1]=4 1003 B7R1.2 NC1COC(=O)C1 HR14757 [0,0,0,1,0,1|0,0,0]=2 1004 B7R1.2 NC1COC(=O)C1 HR14758 [0,0,0,1,0,1|0,0,0]=2 1005 B7R1.2 O=C1C=C(O)CO1 HR100679 [0,0,0,1,0,1|1,0,1]=4 1006 B7R1.2 O=C1CC(O)CN1 HR138458 [0,0,0,1,0,1|2,0,0]=4 1007 B7R1.2 O=C1CC(O)CN1 HR138722 [0,0,0,1,0,1|2,0,0]=4 1008 B7R1.2 O=C1CC(O)CN1 HR145864 [0,0,0,1,0,1|2,0,0]=4 1009 B7R1.2 O=C1CC(O)CO1 HR126625 [0,0,0,1,0,1|1,0,0]=3 1010 B7R1.2 O=C1CC(O)CO1 HR127054 [0,0,0,1,0,1|1,0,0]=3 1011 B7R1.2 O=C1CC(S)CN1 HR112550 [0,0,0,1,0,1|2,0,0]=4 1012 B7R1.2 O=C1COC(=O)C1 HR100364 [0,0,0,1,0,1|1,0,1]=4 1013 B7R1.2 O=C1COC(=O)N1 HR103401 [0,0,0,1,0,1|1,0,1]=4 1014 B7R1.2 O=C1OCC(Cl)O1 HR123970 [0,0,0,1,0,1|1,0,0]=3 1015 B7R1.2 O=C1OCC(F)O1 HR135652 [0,0,0,1,0,1|1,0,0]=3 1016 B7R1.20 O=C(O)CC1CC1 HR136745 [0,0,0,1,0,1|1,0,0]=3 1017 B7R1.4 C=C1CCOC1=O HR130328 [0,1,0,1,0,0|1,0,1]=4 1018 B7R1.4 CC1CCCC1=O HR112329 [0,1,0,1,0,0|2,0,0]=4 1019 B7R1.4 CC1CCNC1=O HR103871 [0,1,0,1,0,0|2,0,0]=4 1020 B7R1.4 CC1OCCC1=O HR131028 [0,1,0,1,0,0|2,0,0]=4 1021 B7R1.4 CC1SCCC1=O HR124610 [0,1,0,1,0,0|2,0,0]=4 1022 B7R1.4 CN1CCOC1=O HR132150 [0,1,0,1,0,0|2,0,0]=4 1023 B7R1.4 NC1CCCC1O HR123573 [0,1,0,1,0,0|1,0,1]=4 1024 B7R1.4 NC1CCCC1O HR126055 [0,1,0,1,0,0|1,0,1]=4 1025 B7R1.4 NC1CCCC1O HR126723 [0,1,0,1,0,0|1,0,1]=4 1026 B7R1.4 NC1CCCC1O HR135381 [0,1,0,1,0,0|1,0,1]=4 1027 B7R1.4 NC1CCCC1O HR142701 [0,1,0,1,0,0|1,0,1]=4 1028 B7R1.4 NC1CCNC1=O HR148583 [0,1,0,1,0,0|1,0,0]=3 1029 B7R1.4 NC1CCOC1=O HR103069 [0,1,0,1,0,0|0,0,0]=2 1030 B7R1.4 NC1CCOC1=O HR134625 [0,1,0,1,0,0|0,0,0]=2 1031 B7R1.4 NC1CCOC1=O HR137954 [0,1,0,1,0,0|0,0,0]=2 1032 B7R1.4 NC1CCOC1=O HR146738 [0,1,0,1,0,0|0,0,0]=2 1033 B7R1.4 NC1CCSC1=O HR137672 [0,1,0,1,0,0|0,1,0]=3 1034 B7R1.4 NC1CNCC1O HR146002 [0,1,0,1,0,0|1,0,1]=4 1035 B7R1.4 NC1COCC1O HR101952 [0,1,0,1,0,0|0,0,2]=4 1036 B7R1.4 NC1CONC1=O HR101265 [0,1,0,1,0,0|0,0,0]=2 1037 B7R1.4 NC1CONC1=O HR127398 [0,1,0,1,0,0|0,0,0]=2 1038 B7R1.4 NC1CONC1=O HR136196 [0,1,0,1,0,0|0,0,0]=2 1039 B7R1.4 NN1CCCC1=O GASA04306 [0,1,0,1,0,0|2,0,0]=4 1040 B7R1.4 NN1CCOC1=O HR146108 [0,1,0,1,0,0|1,0,0]=3 1041 B7R1.4 O=C1CCCC1Br HR121144 [0,1,0,1,0,0|2,0,0]=4 1042 B7R1.4 O=C1CCCC1Cl HR112783 [0,1,0,1,0,0|2,0,0]=4 1043 B7R1.4 O=C1NCCC1O HR102172 [0,1,0,1,0,0|2,0,0]=4 1044 B7R1.4 O=C1NCCC1O HR113273 [0,1,0,1,0,0|2,0,0]=4 1045 B7R1.4 O=C1NCCC1O HR113406 [0,1,0,1,0,0|2,0,0]=4 1046 B7R1.4 O=C1NCCC1O HR147016 [0,1,0,1,0,0|2,0,0]=4 1047 B7R1.4 O=C1OCC=C1Br HR102966 [0,1,0,1,0,0|1,0,1]=4 1048 B7R1.4 O=C1OCCC1Br HR10714 [0,1,0,1,0,0|1,0,0]=3 1049 B7R1.18 CC(=O)C1CCC1 HR143826 [0,1,0,1,0,0|2,0,0]=4 1050 B7R1.18 NC(=O)C1CCN1 HR115575 [0,1,0,1,0,0|1,0,0]=3 1051 B7R1.18 O=C(Cl)C1CCC1 HR129809 [0,1,0,1,0,0|2,0,0]=4 1052 B7R1.18 O=C(O)C1CCC1 HR136661 [0,1,0,1,0,0|1,0,0]=3 1053 B7R1.18 O=C(O)C1CCN1 HR103406 [0,1,0,1,0,0|0,0,0]=2 1054 B7R1.18 O=C(O)C1CCN1 HR106573 [0,1,0,1,0,0|0,0,0]=2 1055 B7R1.18 O=C(O)C1CCN1 HR118789 [0,1,0,1,0,0|0,0,0]=2 1056 B7R1.18 O=C(O)C1CCN1 HR127792 [0,1,0,1,0,0|0,0,0]=2 1057 B7R1.18 O=C(O)C1CCN1 HR132187 [0,1,0,1,0,0|0,0,0]=2 1058 B7R1.18 O=C(O)C1CCN1 HR138860 [0,1,0,1,0,0|0,0,0]=2 1059 B7R1.18 O=C(O)C1CCO1 HR109624 [0,1,0,1,0,0|1,0,0]=3 1060 B7R1.18 O=C(O)C1CNC1 SIJL01006 [0,1,0,1,0,0|0,0,0]=2 1061 B7R1.18 O=C(O)C1COC1 HR111082 [0,1,0,1,0,0|1,0,0]=3 1062 B7R1.19 CC1(C(=O)O)CC1 HR142472 [0,1,0,1,0,0|1,0,0]=3 1063 B7R1.19 NC1(C(=O)O)CC1 HR136208 [0,1,0,1,0,0|0,0,0]=2 1064 B7R1.19 O=C(O)C1(O)CC1 HR130601 [0,1,0,1,0,0|1,0,0]=3 1065 B7R1.22 CCC(=O)C1CC1 HR104134 [0,1,0,1,0,0|2,0,0]=4 1066 B7R1.22 COC(=O)C1CC1 HR128125 [0,1,0,1,0,0|1,0,0]=3 1067 B7R1.22 COC(=O)C1CN1 HR112447 [0,1,0,1,0,0|0,0,0]=2 1068 B7R1.22 COC(=O)C1CO1 HR129937 [0,1,0,1,0,0|1,0,0]=3 1069 B7R1.22 N\C(=N\O)C1CC1 HR147681 [0,1,0,1,0,0|2,0,0]=4 1070 B7R1.22 O=C(CBr)C1CC1 HR125713 [0,1,0,1,0,0|2,0,0]=4 1071 B7R0.6 CC(=O)CCC(=O)O HR127576 [0,0,0,0,0,2|1,0,1]=4 1072 B7R0.6 CC(=O)NCC(=O)O HR138579 [0,0,0,0,0,2|1,0,1]=4 1073 B7R0.6 CC(=O)OCC(=O)O HR120464 [0,0,0,0,0,2|1,0,1]=4 1074 B7R0.6 CC(=O)\C=C\C(C)C HR142759 [0,0,0,0,0,2|2,0,0]=4 1075 B7R0.6 CC(C)=CCC(=O)O HR108591 [0,0,0,0,0,2|1,0,1]=4 1076 B7R0.6 CC(C)CCC(=O)Cl HR101969 [0,0,0,0,0,2|2,0,0]=4 1077 B7R0.6 CC(C)CCC(=O)O HR141883 [0,0,0,0,0,2|1,0,0]=3 1078 B7R0.6 CC(C)\C=C\C(=O)[O-] HR107648 [0,0,0,0,0,2|1,0,1]=4 1079 B7R0.6 CN(C)CCC(=O)O HR114553 [0,0,0,0,0,2|2,0,0]=4 1080 B7R0.6 CN(C)CCC(=O)O HR147791 [0,0,0,0,0,2|2,0,0]=4 1081 B7R0.6 C[S+](C)CCC(=O)O HR107679 [0,0,0,0,0,2|2,0,0]=4 1082 B7R0.6 N=C(N)NCC(=O)O HR123411 [0,0,0,0,0,2|1,0,1]=4 1083 B7R0.6 N=C(N)SCC(=O)O HR122670 [0,0,0,0,0,2|1,0,1]=4 1084 B7R0.6 N=C(N)SCC(=O)O HR134877 [0,0,0,0,0,2|1,0,1]=4 1085 B7R0.6 NC(=O)\C=C\C(=O)O HR128108 [0,0,0,0,0,2|1,0,1]=4