0 B4R0.1 C#CC(=O)N PI-48352 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C(=C(F)Cl)Cl PI-21037 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 C(=C(F)Cl)F PI-20042 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C(=O)(N)NO PI-15345 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C(C(=N)N)N PI-44870 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C(C(=O)Cl)Br PI-46514 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 C(C(=O)N)I PI-47045 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C(C(=O)N)N PI-14271 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C(C(=O)[O-])Cl PI-44622 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 C=C(CBr)Br PI-10979 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 CC(=C)CBr PI-46510 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 CC(=CBr)C PI-46509 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CC(=O)C#C PI-15653 [0,0,0,0,0,0|1,0,1]=2 13 B4R0.1 CC(=O)CBr PI-38994 [0,0,0,0,0,0|1,0,1]=2 14 B4R0.1 CC(=O)NBr PI-47108 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 CC(C#C)O PI-44141 [0,0,0,0,0,0|1,0,3]=4 16 B4R0.1 CC(C)CN PI-46903 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 CC(C)NC PI-41120 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CC(CN)O PI-16659 [0,0,0,0,0,0|1,0,3]=4 19 B4R0.1 CC(CO)O PI-16674 [0,0,0,0,0,0|0,0,4]=4 20 B4R0.1 CC(O)=NO PI-10772 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.1 CC(O)C#C PI-43256 [0,0,0,0,0,0|1,0,3]=4 22 B4R0.1 CCC(=N)N PI-35437 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 CCC(C)O PI-15619 [0,0,0,0,0,0|1,0,3]=4 24 B4R0.1 CN=C(N)N PI-12937 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 CNN(C)C PI-40655 [0,0,0,0,0,0|4,0,0]=4 26 B4R0.1 COC(=N)N PI-30686 [0,0,0,0,0,0|4,0,0]=4 27 B4R0.1 C[C@@H](CO)N PI-12236 [0,0,0,0,0,0|1,0,3]=4 28 B4R0.1 C[C@@H](N)CO PI-16472 [0,0,0,0,0,0|1,0,3]=4 29 B4R0.1 C[C@@H](O)CN PI-12234 [0,0,0,0,0,0|1,0,3]=4 30 B4R0.1 ClCC(Cl)=C PI-15434 [0,0,0,0,0,0|2,0,2]=4 31 B4R0.1 NC(=N)CCl PI-30038 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 NC(=O)CBr PI-10963 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.1 NC[C@@H](N)C PI-39121 [0,0,0,0,0,0|2,0,2]=4 34 B4R0.1 NNC(C)C PI-37110 [0,0,0,0,0,0|3,0,1]=4 35 B4R0.1 OC[C@H](O)C PI-16673 [0,0,0,0,0,0|0,0,4]=4 36 B3R0.1 C(=CBr)Br PI-47053 [1,0,0,0,0,0|2,0,0]=3 37 B3R0.1 C(=CCl)F PI-20089 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.1 CCC=O PI-28552 [1,0,0,0,0,0|0,0,1]=2 39 B3R0.1 CCCN PI-46904 [1,0,0,0,0,0|1,0,2]=4 40 B3R0.1 CCCN PI-46913 [1,0,0,0,0,0|1,0,2]=4 41 B3R0.1 CNCC PI-40147 [1,0,0,0,0,0|2,0,1]=4 42 B3R0.1 COCBr PI-22152 [1,0,0,0,0,0|2,0,1]=4 43 B3R0.1 CONC PI-16632 [1,0,0,0,0,0|3,0,0]=4 44 B3R0.1 C\C=N\O PI-37002 [1,0,0,0,0,0|1,0,1]=3 45 B3R0.1 NNC=O PI-38803 [1,0,0,0,0,0|2,0,0]=3 46 B3R0.1 [CH2-]CCC PI-37346 [1,0,0,0,0,0|1,0,2]=4 47 B3R0.2 C(=N)(N)N PI-46905 [1,0,0,0,0,0|3,0,0]=4 48 B3R0.2 C=C(F)Br PI-14442 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.2 CB(O)O PI-24088 [1,0,0,0,0,0|1,0,2]=4 50 B3R0.2 CC(=O)O PI-11632 [1,0,0,0,0,0|0,0,1]=2 51 B3R0.2 CC(=O)O PI-38547 [1,0,0,0,0,0|0,0,1]=2 52 B3R0.2 CC(=O)[O-] PI-20290 [1,0,0,0,0,0|0,0,1]=2 53 B3R0.2 CC(=S)N PI-16528 [1,0,0,0,0,0|1,1,0]=3 54 B3R0.2 CC(C)[O-] PI-47044 [1,0,0,0,0,0|0,0,3]=4 55 B3R0.2 CC([O-])=S PI-36444 [1,0,0,0,0,0|0,1,1]=3 56 B3R0.2 C[S+](C)C PI-41785 [1,0,0,0,0,0|2,0,1]=4 57 B3R0.2 NC(=N)Cl PI-38973 [1,0,0,0,0,0|3,0,0]=4 58 B3R0.2 NC(N)=N PI-47789 [1,0,0,0,0,0|3,0,0]=4 59 B3R0.2 NC(N)=N PI-47790 [1,0,0,0,0,0|3,0,0]=4 60 B3R0.2 [O-]C(=O)C PI-37083 [1,0,0,0,0,0|0,0,1]=2 61 B3R0.2 [O-]C(=O)C PI-41421 [1,0,0,0,0,0|0,0,1]=2 62 B5R0.1 BrCC=C(C)C PI-12725 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.1 C(CBr)C(=O)Cl PI-47061 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 C(CCl)C(=O)Cl PI-48842 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 CC#CC(=O)O PI-12861 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 CC(=C)CCBr PI-40493 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 CC(=O)NCO PI-29791 [0,1,0,0,0,0|0,0,2]=3 69 B5R0.1 CC=CC(=O)C PI-45740 [0,1,0,0,0,0|1,0,0]=2 70 B5R0.1 CCCC(=O)N PI-32787 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.1 CCOC(=O)C PI-13192 [0,1,0,0,0,0|1,0,1]=3 72 B5R0.1 CCSC(=O)C PI-48509 [0,1,0,0,0,0|1,0,1]=3 73 B5R0.1 CCSC(=O)Cl PI-38596 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 CNCC(=O)O PI-45053 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 CSCC(=O)N PI-36555 [0,1,0,0,0,0|1,1,1]=4 76 B5R0.1 C\C=C\C(=O)N PI-50568 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.1 C\C=C\C(=O)O PI-48966 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.1 NCCC(=O)O PI-14317 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.1 O=C(O)CCS PI-40342 [0,1,0,0,0,0|1,1,1]=4 80 B5R0.1 O=C=NC(C)C PI-11403 [0,1,0,0,0,0|1,0,2]=4 81 B5R0.1 O=S(CSC)C PI-39632 [0,1,0,0,0,0|1,1,1]=4 82 B5R0.1 OC(CON)=O PI-37190 [0,1,0,0,0,0|1,0,2]=4 83 B5R0.1 OCCC(=O)O PI-20855 [0,1,0,0,0,0|1,0,2]=4 84 B5R0.3 C(=O)C(C=O)Br PI-39607 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.3 C(=O)C(C=O)Cl PI-39590 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.3 C(C(=O)NN)O PI-50333 [0,1,0,0,0,0|2,0,0]=3 87 B5R0.3 C(C(=O)NN)S PI-50542 [0,1,0,0,0,0|2,0,0]=3 88 B5R0.3 C(C(C=O)O)O PI-14881 [0,1,0,0,0,0|0,0,2]=3 89 B5R0.3 C=C[C@H](CO)N PI-48191 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.3 CCC(=C)C=O PI-44654 [0,1,0,0,0,0|1,0,0]=2 91 B5R0.3 CCC(=O)CBr PI-20588 [0,1,0,0,0,0|1,0,1]=3 92 B5R0.3 CCC(=O)NN PI-50290 [0,1,0,0,0,0|2,0,0]=3 93 B5R0.3 CNC(=O)CCl PI-39443 [0,1,0,0,0,0|1,0,1]=3 94 B5R0.3 CNC(=S)NN PI-30834 [0,1,0,0,0,0|2,1,0]=4 95 B5R0.3 COC(=O)C#C PI-35828 [0,1,0,0,0,0|1,0,1]=3 96 B5R0.3 ClCC(=C)CCl PI-41237 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.3 NNC(=O)NN PI-25605 [0,1,0,0,0,0|3,0,0]=4 98 B5R0.3 N[C@H](CO)C=C PI-36414 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,1,0,0,0,0|0,0,2]=3 100 B5R0.3 OCC(=C)CO PI-24347 [0,1,0,0,0,0|1,0,2]=4 101 B5R0.4 C=C[Si](C)(C)C PI-35331 [0,1,0,0,0,0|2,1,0]=4 102 B5R0.4 CC(C)(C)N=O PI-30849 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.4 CS(=O)(=O)NN PI-50415 [0,1,0,0,0,0|3,0,0]=4 104 B5R0.4 CSS(=O)(=O)C PI-24302 [0,1,0,0,0,0|3,0,0]=4 105 B5R0.4 C[Si](C)(C=C)Cl PI-45014 [0,1,0,0,0,0|2,1,0]=4 106 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.5 C(C(=O)O)(F)F PI-21386 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.5 C(C(=O)O)(N)O PI-48421 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.5 CC(=C)C(=O)C PI-41913 [0,1,0,0,0,0|1,0,0]=2 110 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,1,0,0,0,0|0,0,0]=1 111 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,1,0,0,0,0|0,0,0]=1 112 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,1,0,0,0,0|0,0,0]=1 113 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,1,0,0,0,0|0,0,0]=1 114 B5R0.5 CC(C(=O)C)Br PI-35002 [0,1,0,0,0,0|1,0,1]=3 115 B5R0.5 CC(C(=O)C)S PI-48502 [0,1,0,0,0,0|0,1,1]=3 116 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,1,0,0,0,0|1,0,1]=3 117 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,1,0,0,0,0|1,0,1]=3 118 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,1,0,0,0,0|1,0,1]=3 119 B5R0.5 CC(C(=O)N)C PI-28643 [0,1,0,0,0,0|1,0,1]=3 120 B5R0.5 CC(C(=O)N)N PI-16292 [0,1,0,0,0,0|1,0,1]=3 121 B5R0.5 CC(C(=O)N)N PI-42205 [0,1,0,0,0,0|1,0,1]=3 122 B5R0.5 CC(C(=O)O)Br PI-47030 [0,1,0,0,0,0|1,0,1]=3 123 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,1,0,0,0,0|1,0,1]=3 124 B5R0.5 CC(C(=O)O)F PI-40363 [0,1,0,0,0,0|1,0,1]=3 125 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,1,0,0,0,0|0,0,2]=3 126 B5R0.5 CN(C)C(=O)N PI-50675 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,1,0,0,0,0|1,0,1]=3 128 B5R0.5 C[C@H](C(=N)N)O PI-48998 [0,1,0,0,0,0|1,0,2]=4 129 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,1,0,0,0,0|0,0,2]=3 130 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.5 NC(=S)C(=S)N PI-18908 [0,1,0,0,0,0|1,2,0]=4 133 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,1,0,0,0,0|1,0,1]=3 134 B5R0.5 OC(=O)C(=O)C PI-15477 [0,1,0,0,0,0|0,0,0]=1 135 B5R1.2 C1C(=O)CN1 PI-48919 [0,0,0,1,0,0|1,0,1]=3 136 B5R1.2 O=C1CCC1 PI-36783 [0,0,0,1,0,0|1,0,1]=3 137 B5R1.2 O=C1COC1 PI-38969 [0,0,0,1,0,0|0,0,2]=3 138 B5R1.3 O=CC1CC1 PI-39221 [0,0,0,1,0,0|1,0,1]=3 139 B2R0.1 CNO PI-24407 [2,0,0,0,0,0|1,0,1]=4 140 B2R0.1 CON PI-12344 [2,0,0,0,0,0|2,0,0]=4 141 B2R0.1 CSC PI-50002 [2,0,0,0,0,0|1,0,1]=4 142 B2R0.1 NC=N PI-38823 [2,0,0,0,0,0|2,0,0]=4 143 B2R0.1 O=[Os]=O PI-41580 [2,0,0,0,0,0|1,0,0]=3 144 B2R0.1 ON=O PI-38467 [2,0,0,0,0,0|1,0,1]=4 145 B4R0.2 C(=O)[N-]C=O PI-42986 [1,1,0,0,0,0|0,0,0]=2 146 B4R0.2 C=CCCBr PI-20589 [1,1,0,0,0,0|1,0,1]=4 147 B4R0.2 CC=CCO PI-41583 [1,1,0,0,0,0|0,0,1]=3 148 B4R0.2 CCOC=C PI-12733 [1,1,0,0,0,0|1,0,1]=4 149 B4R0.2 CNCC=C PI-41121 [1,1,0,0,0,0|1,0,1]=4 150 B4R0.3 C[S+](=O)(C)C PI-35968 [1,1,0,0,0,0|1,0,1]=4 151 B4R0.3 NS(=O)(=O)Cl PI-36528 [1,1,0,0,0,0|2,0,0]=4 152 B4R0.3 NS(=O)(=O)N PI-12145 [1,1,0,0,0,0|2,0,0]=4 153 B4R0.3 [O-]S(=O)(=O)C PI-38597 [1,1,0,0,0,0|1,0,0]=3 154 B6R0.1 C(C#N)C(=O)NN PI-50233 [0,2,0,0,0,0|2,0,0]=4 155 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,2,0,0,0,0|0,0,2]=4 156 B6R0.1 C(CS)C(=O)NN PI-50543 [0,2,0,0,0,0|2,0,0]=4 157 B6R0.1 CC#CC(=O)OC PI-48956 [0,2,0,0,0,0|1,0,1]=4 158 B6R0.1 CC(CC=O)SC PI-48524 [0,2,0,0,0,0|0,1,1]=4 159 B6R0.1 CCCC(=O)NN PI-23070 [0,2,0,0,0,0|2,0,0]=4 160 B6R0.1 CCCC(=O)SC PI-48512 [0,2,0,0,0,0|1,0,1]=4 161 B6R0.1 CCOC(=O)C#C PI-35147 [0,2,0,0,0,0|1,0,1]=4 162 B6R0.1 CCOC(=O)CBr PI-15815 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.1 CCOC(=O)NC PI-50343 [0,2,0,0,0,0|1,0,1]=4 164 B6R0.1 CNCC(=O)OC PI-45586 [0,2,0,0,0,0|1,0,1]=4 165 B6R0.1 COC(=O)CCN PI-31148 [0,2,0,0,0,0|1,0,1]=4 166 B6R0.1 COCC(=O)NN PI-50354 [0,2,0,0,0,0|2,0,0]=4 167 B6R0.1 NNC(OCC)=O PI-28515 [0,2,0,0,0,0|2,0,0]=4 168 B6R0.1 O=C(OC)CCO PI-41038 [0,2,0,0,0,0|0,0,2]=4 169 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,2,0,0,0,0|0,0,1]=3 170 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,2,0,0,0,0|1,0,0]=3 172 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,2,0,0,0,0|1,1,0]=4 173 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,2,0,0,0,0|1,0,1]=4 174 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,2,0,0,0,0|1,0,1]=4 175 B6R0.2 CC(CC(=O)O)N PI-35438 [0,2,0,0,0,0|1,0,1]=4 176 B6R0.2 CC(CC(=O)O)N PI-35481 [0,2,0,0,0,0|1,0,1]=4 177 B6R0.2 CC(CC(=O)O)N PI-43821 [0,2,0,0,0,0|1,0,1]=4 178 B6R0.2 CC(CC(=O)O)O PI-47070 [0,2,0,0,0,0|0,0,2]=4 179 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,2,0,0,0,0|1,0,1]=4 180 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,2,0,0,0,0|1,0,1]=4 181 B6R0.2 CN(C)CC(=O)O PI-15416 [0,2,0,0,0,0|2,0,0]=4 182 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,2,0,0,0,0|1,0,1]=4 183 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,2,0,0,0,0|1,0,1]=4 184 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,2,0,0,0,0|2,0,0]=4 185 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,2,0,0,0,0|1,0,1]=4 187 B6R0.3 C(=O)(C(=O)NN)N PI-44557 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,2,0,0,0,0|1,0,1]=4 191 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,2,0,0,0,0|1,0,1]=4 192 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,2,0,0,0,0|1,0,1]=4 193 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,2,0,0,0,0|1,0,1]=4 194 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,2,0,0,0,0|0,0,2]=4 195 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.3 CC(C(=O)O)NC PI-27549 [0,2,0,0,0,0|1,0,1]=4 197 B6R0.3 CC(C(=O)O)NC PI-27557 [0,2,0,0,0,0|1,0,1]=4 198 B6R0.3 CC(C(=O)OC)Cl PI-13042 [0,2,0,0,0,0|1,0,1]=4 199 B6R0.3 CC(C(=O)OC)N PI-31127 [0,2,0,0,0,0|1,0,1]=4 200 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,2,0,0,0,0|1,0,0]=3 201 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,2,0,0,0,0|1,0,1]=4 202 B6R0.3 CCC(=O)C(C)C PI-39171 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.3 CCC(C(=O)C)S PI-48501 [0,2,0,0,0,0|0,1,1]=4 204 B6R0.3 CCC(C(=O)N)N PI-10559 [0,2,0,0,0,0|1,0,1]=4 205 B6R0.3 CCC(C(=O)O)N PI-28320 [0,2,0,0,0,0|1,0,1]=4 206 B6R0.3 CCC(C(=O)O)N PI-43844 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,2,0,0,0,0|1,0,1]=4 209 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,2,0,0,0,0|1,0,1]=4 210 B6R0.3 CN(C(=O)Cl)CC PI-38703 [0,2,0,0,0,0|2,0,0]=4 211 B6R0.3 CN(C)C(=O)CBr PI-40959 [0,2,0,0,0,0|1,0,1]=4 212 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,2,0,0,0,0|0,0,0]=2 213 B6R0.3 COC(=O)C(=C)F PI-39526 [0,2,0,0,0,0|1,0,0]=3 214 B6R0.3 COC(=O)C(N)C PI-10065 [0,2,0,0,0,0|1,0,1]=4 215 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,2,0,0,0,0|0,0,2]=4 216 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,2,0,0,0,0|1,0,1]=4 217 B6R0.3 NC(C(=O)O)CN PI-10165 [0,2,0,0,0,0|1,0,1]=4 218 B6R0.3 NC(C(=O)O)CN PI-35820 [0,2,0,0,0,0|1,0,1]=4 219 B6R0.3 NC(CO)C(O)=O PI-35846 [0,2,0,0,0,0|1,0,1]=4 220 B6R0.3 NC(CS)C(=O)O PI-15748 [0,2,0,0,0,0|1,0,1]=4 221 B6R0.3 NCC(=O)N(C)C PI-34626 [0,2,0,0,0,0|1,0,1]=4 222 B6R0.3 NCC(C(=O)O)O PI-38395 [0,2,0,0,0,0|0,0,2]=4 223 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,2,0,0,0,0|1,0,1]=4 224 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.3 O=C(O)C(C)CN PI-42145 [0,2,0,0,0,0|1,0,1]=4 227 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,2,0,0,0,0|1,0,1]=4 228 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,2,0,0,0,0|0,0,0]=2 230 B6R0.4 BrC\C=C\C(=O)O PI-36796 [0,2,0,0,0,0|2,0,0]=4 231 B6R0.4 C(C(=O)O)NC=O PI-33231 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.4 CC(NCCS)=O PI-37034 [0,2,0,0,0,0|0,1,1]=4 233 B6R0.4 CC=CCC(=O)O PI-47130 [0,2,0,0,0,0|2,0,0]=4 234 B6R0.4 CC=NNC(=O)N PI-26775 [0,2,0,0,0,0|2,0,0]=4 235 B6R0.4 ClCCCC(=O)C PI-39487 [0,2,0,0,0,0|1,0,1]=4 236 B6R0.4 O=C\C=C/N(C)C PI-12739 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.4 OCCCC(=O)C PI-13555 [0,2,0,0,0,0|0,0,2]=4 238 B6R0.5 O=CCC(C)(C)C PI-36862 [0,2,0,0,0,0|1,0,1]=4 239 B6R0.8 CCS(=O)(=O)C=C PI-24192 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.7 C(=O)([O-])P(=O)([O-])[O-] PI-24535 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.7 C(=O)([O-])P(=O)([O-])[O-] PI-42920 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.7 CC(=O)C(F)(F)F PI-40209 [0,2,0,0,0,0|1,0,1]=4 243 B6R0.7 CC(C)(C(=O)Cl)Br PI-44610 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.7 CC(C)(C(=O)N)N PI-42207 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.7 CC(C)(C(=O)N)O PI-15708 [0,2,0,0,0,0|0,0,2]=4 246 B6R0.7 CC(C)(C)C(=O)Cl PI-44939 [0,2,0,0,0,0|1,0,1]=4 247 B6R0.7 CC(C)(C)C(=O)N PI-19885 [0,2,0,0,0,0|1,0,1]=4 248 B6R0.7 CC(C)(N)C(O)=O PI-37329 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.7 OC(=O)C(C)(C)O PI-11239 [0,2,0,0,0,0|0,0,2]=4 250 B6R0.7 OC(=O)C(F)(F)C PI-39351 [0,2,0,0,0,0|1,0,1]=4 251 B6R0.7 [O-]C(=O)C(C)(C)C PI-38667 [0,2,0,0,0,0|1,0,1]=4 252 B6R1.2 C1COC(=O)N1 PI-10783 [0,1,0,1,0,0|2,0,0]=4 253 B6R1.2 C1CSCC1=O PI-11167 [0,1,0,1,0,0|0,1,1]=4 254 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,1,0,1,0,0|1,0,0]=3 255 B6R1.2 CC1=CC=CS1 PI-11146 [0,1,0,1,0,0|1,1,0]=4 256 B6R1.2 CC1=CN=CN1 PI-44758 [0,1,0,1,0,0|2,0,0]=4 257 B6R1.2 CC1=COC=C1 PI-41011 [0,1,0,1,0,0|1,0,1]=4 258 B6R1.2 Cc1c[nH]nc1 PI-34810 [0,1,0,1,0,0|2,0,0]=4 259 B6R1.2 Cc1cc[nH]n1 PI-31344 [0,1,0,1,0,0|2,0,0]=4 260 B6R1.2 Cc1cncs1 PI-33497 [0,1,0,1,0,0|1,1,0]=4 261 B6R1.2 Cc1nc[nH]n1 PI-40309 [0,1,0,1,0,0|2,0,0]=4 262 B6R1.2 Cc1nccs1 PI-11132 [0,1,0,1,0,0|1,1,0]=4 263 B6R1.2 O=C1CC=CC1 PI-38266 [0,1,0,1,0,0|1,0,0]=3 264 B6R1.2 O=C1CCOC1 PI-42678 [0,1,0,1,0,0|0,0,2]=4 265 B6R1.2 O=C1NCNC1 PI-35001 [0,1,0,1,0,0|1,0,1]=4 266 B6R1.2 O=c1occo1 PI-15331 [0,1,0,1,0,0|2,0,0]=4 267 B6R1.5 C1C(CC1=O)N PI-48953 [0,1,0,1,0,0|1,0,1]=4 268 B6R1.11 C1CC1C(=O)Cl PI-32773 [0,1,0,1,0,0|1,0,1]=4 269 B6R1.11 C1CC1C(=O)N PI-30796 [0,1,0,1,0,0|1,0,1]=4 270 B6R1.11 CC(=O)C1CC1 PI-12875 [0,1,0,1,0,0|1,0,1]=4 271 B6R1.6 C1C(CO1)C=O PI-48343 [0,1,0,1,0,0|0,0,2]=4 272 B6R1.6 O=CC1CCC1 PI-36863 [0,1,0,1,0,0|1,0,1]=4