0 B3R0.2 C(=N)(N)N PI-46905 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.2 C(Cl)(Br)Br PI-23709 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.2 C=C(F)Br PI-14442 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.2 CB(O)O PI-24088 [0,0,0,0,0,0|1,0,1]=2 4 B3R0.2 CC(=O)O PI-11632 [0,0,0,0,0,0|0,0,0]=0 5 B3R0.2 CC(=O)O PI-38547 [0,0,0,0,0,0|0,0,0]=0 6 B3R0.2 CC(=O)[O-] PI-20290 [0,0,0,0,0,0|0,0,1]=1 7 B3R0.2 CC(=S)N PI-16528 [0,0,0,0,0,0|1,1,0]=2 8 B3R0.2 CC(C)[O-] PI-47044 [0,0,0,0,0,0|1,0,2]=3 9 B3R0.2 CC([O-])=S PI-36444 [0,0,0,0,0,0|0,1,1]=2 10 B3R0.2 C[S+](C)C PI-41785 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.2 NC(=N)Cl PI-38973 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.2 NC(N)=N PI-47789 [0,0,0,0,0,0|3,0,0]=3 13 B3R0.2 NC(N)=N PI-47790 [0,0,0,0,0,0|3,0,0]=3 14 B3R0.2 [O-]C(=O)C PI-37083 [0,0,0,0,0,0|0,0,1]=1 15 B3R0.2 [O-]C(=O)C PI-41421 [0,0,0,0,0,0|0,0,1]=1 16 B2R0.1 C(F)I PI-46452 [1,0,0,0,0,0|2,0,1]=4 17 B2R0.1 CNO PI-24407 [1,0,0,0,0,0|1,0,0]=2 18 B2R0.1 CON PI-12344 [1,0,0,0,0,0|2,0,0]=3 19 B2R0.1 CSC PI-50002 [1,0,0,0,0,0|2,0,0]=3 20 B2R0.1 Cl[Pt]Cl PI-35163 [1,0,0,0,0,0|3,0,0]=4 21 B2R0.1 NC=N PI-38823 [1,0,0,0,0,0|2,0,0]=3 22 B2R0.1 O=[Os]=O PI-41580 [1,0,0,0,0,0|1,0,1]=3 23 B2R0.1 ON=O PI-38467 [1,0,0,0,0,0|1,0,0]=2 24 B2R0.1 S=[W]=S PI-48964 [1,0,0,0,0,0|1,2,0]=4 25 B2R0.1 [B](Br)Br PI-49994 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 C#CC(=O)N PI-48352 [0,1,0,0,0,0|1,0,1]=3 27 B4R0.1 C(=C(F)Cl)Cl PI-21037 [0,1,0,0,0,0|2,0,1]=4 28 B4R0.1 C(=C(F)Cl)F PI-20042 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 C(=O)(N)NO PI-15345 [0,1,0,0,0,0|1,0,0]=2 30 B4R0.1 C(C(=N)N)N PI-44870 [0,1,0,0,0,0|2,0,0]=3 31 B4R0.1 C(C(=O)Cl)Br PI-46514 [0,1,0,0,0,0|1,0,0]=2 32 B4R0.1 C(C(=O)N)I PI-47045 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.1 C(C(=O)N)N PI-14271 [0,1,0,0,0,0|1,0,0]=2 34 B4R0.1 C(C(=O)[O-])Cl PI-44622 [0,1,0,0,0,0|0,0,1]=2 35 B4R0.1 C(C(F)F)N PI-48941 [0,1,0,0,0,0|2,0,1]=4 36 B4R0.1 C=C(CBr)Br PI-10979 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(=C)CBr PI-46510 [0,1,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(=CBr)C PI-46509 [0,1,0,0,0,0|2,0,0]=3 39 B4R0.1 CC(=O)C#C PI-15653 [0,1,0,0,0,0|1,0,0]=2 40 B4R0.1 CC(=O)CBr PI-38994 [0,1,0,0,0,0|1,0,0]=2 41 B4R0.1 CC(=O)NBr PI-47108 [0,1,0,0,0,0|1,0,0]=2 42 B4R0.1 CC(C#C)O PI-44141 [0,1,0,0,0,0|1,0,1]=3 43 B4R0.1 CC(C)CN PI-46903 [0,1,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(C)NC PI-41120 [0,1,0,0,0,0|2,0,1]=4 45 B4R0.1 CC(CN)O PI-16659 [0,1,0,0,0,0|1,0,1]=3 46 B4R0.1 CC(CO)O PI-16674 [0,1,0,0,0,0|0,0,2]=3 47 B4R0.1 CC(O)=NO PI-10772 [0,1,0,0,0,0|0,0,1]=2 48 B4R0.1 CC(O)C#C PI-43256 [0,1,0,0,0,0|1,0,1]=3 49 B4R0.1 CCB(O)O PI-25578 [0,1,0,0,0,0|1,0,1]=3 50 B4R0.1 CCC(=N)N PI-35437 [0,1,0,0,0,0|2,0,0]=3 51 B4R0.1 CCC(C)O PI-15619 [0,1,0,0,0,0|1,0,1]=3 52 B4R0.1 CN=C(N)N PI-12937 [0,1,0,0,0,0|2,0,0]=3 53 B4R0.1 CNN(C)C PI-40655 [0,1,0,0,0,0|3,0,0]=4 54 B4R0.1 COC(=N)N PI-30686 [0,1,0,0,0,0|2,0,0]=3 55 B4R0.1 C[C@@H](CO)N PI-12236 [0,1,0,0,0,0|1,0,1]=3 56 B4R0.1 C[C@@H](N)CO PI-16472 [0,1,0,0,0,0|1,0,1]=3 57 B4R0.1 C[C@@H](O)CN PI-12234 [0,1,0,0,0,0|1,0,1]=3 58 B4R0.1 ClCC(Cl)=C PI-15434 [0,1,0,0,0,0|2,0,0]=3 59 B4R0.1 NC(=N)CCl PI-30038 [0,1,0,0,0,0|2,0,0]=3 60 B4R0.1 NC(=O)CBr PI-10963 [0,1,0,0,0,0|1,0,0]=2 61 B4R0.1 NC[C@@H](N)C PI-39121 [0,1,0,0,0,0|2,0,1]=4 62 B4R0.1 NNC(C)C PI-37110 [0,1,0,0,0,0|2,0,1]=4 63 B4R0.1 OCC(F)F PI-21165 [0,1,0,0,0,0|2,0,1]=4 64 B4R0.1 OC[C@H](O)C PI-16673 [0,1,0,0,0,0|0,0,2]=3 65 B4R0.3 BrP(=O)(Br)Br PI-13216 [0,1,0,0,0,0|3,0,0]=4 66 B4R0.3 CC(C)(C)N PI-49998 [0,1,0,0,0,0|2,0,1]=4 67 B4R0.3 CC(C)(F)F PI-21237 [0,1,0,0,0,0|2,0,1]=4 68 B4R0.3 C[N+](C)(C)C PI-46901 [0,1,0,0,0,0|3,0,0]=4 69 B4R0.3 C[S+](=O)(C)C PI-35968 [0,1,0,0,0,0|2,0,0]=3 70 B4R0.3 C[Si](C)(C)C PI-50125 [0,1,0,0,0,0|2,1,0]=4 71 B4R0.3 C[Si](C)(C)Cl PI-44933 [0,1,0,0,0,0|2,1,0]=4 72 B4R0.3 C[Si](C)(F)F PI-21946 [0,1,0,0,0,0|2,1,0]=4 73 B4R0.3 NS(=O)(=O)Cl PI-36528 [0,1,0,0,0,0|2,0,1]=4 74 B4R0.3 NS(=O)(=O)N PI-12145 [0,1,0,0,0,0|2,0,1]=4 75 B4R0.3 [O-]S(=O)(=O)C PI-38597 [0,1,0,0,0,0|1,0,1]=3 76 B4R0.3 [O-][N+](C)(C)C PI-30801 [0,1,0,0,0,0|2,0,1]=4 77 B4R0.3 [O-][Si](C)(C)C PI-35304 [0,1,0,0,0,0|1,1,1]=4 78 B4R1.2 C1CC1Br PI-20927 [0,0,0,1,0,0|2,0,1]=4 79 B4R1.2 C[C@@H]1CO1 PI-10840 [0,0,0,1,0,0|1,0,1]=3 80 B4R1.2 C[C@H]1CO1 PI-10843 [0,0,0,1,0,0|1,0,1]=3 81 B4R1.2 NC1CC1 PI-10868 [0,0,0,1,0,0|2,0,1]=4 82 B1R0.1 CC PI-12250 [2,0,0,0,0,0|0,0,1]=3 83 B3R0.1 BrCC#N PI-20513 [1,1,0,0,0,0|1,0,1]=4 84 B3R0.1 C(=CBr)Br PI-47053 [1,1,0,0,0,0|1,0,1]=4 85 B3R0.1 C(=CCl)F PI-20089 [1,1,0,0,0,0|1,0,1]=4 86 B3R0.1 C(CBr)Cl PI-44621 [1,1,0,0,0,0|1,0,1]=4 87 B3R0.1 C(CF)F PI-21164 [1,1,0,0,0,0|1,0,1]=4 88 B3R0.1 C(CS)N PI-39848 [1,1,0,0,0,0|0,1,1]=4 89 B3R0.1 C(F)CN PI-41615 [1,1,0,0,0,0|1,0,1]=4 90 B3R0.1 CCC=O PI-28552 [1,1,0,0,0,0|0,0,0]=2 91 B3R0.1 CCCN PI-46904 [1,1,0,0,0,0|1,0,1]=4 92 B3R0.1 CCCN PI-46913 [1,1,0,0,0,0|1,0,1]=4 93 B3R0.1 CNCC PI-40147 [1,1,0,0,0,0|1,0,1]=4 94 B3R0.1 COCBr PI-22152 [1,1,0,0,0,0|1,0,1]=4 95 B3R0.1 CONC PI-16632 [1,1,0,0,0,0|1,0,0]=3 96 B3R0.1 C\C=N\O PI-37002 [1,1,0,0,0,0|0,0,0]=2 97 B3R0.1 NCC#C PI-38458 [1,1,0,0,0,0|1,0,1]=4 98 B3R0.1 NCC#N PI-38793 [1,1,0,0,0,0|1,0,1]=4 99 B3R0.1 NCCN PI-38127 [1,1,0,0,0,0|1,0,1]=4 100 B3R0.1 NCCN PI-38389 [1,1,0,0,0,0|1,0,1]=4 101 B3R0.1 NNC=O PI-38803 [1,1,0,0,0,0|1,0,0]=3 102 B3R0.1 OCCBr PI-37291 [1,1,0,0,0,0|0,0,1]=3 103 B3R0.1 [CH2-]CCC PI-37346 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.1 B(CCC)(O)O PI-35885 [0,2,0,0,0,0|1,0,1]=4 105 B5R0.1 BrCC=C(C)C PI-12725 [0,2,0,0,0,0|2,0,0]=4 106 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [0,2,0,0,0,0|0,0,1]=3 107 B5R0.1 C(C#N)C(=S)N PI-30892 [0,2,0,0,0,0|1,1,0]=4 108 B5R0.1 C(CBr)C(=O)Cl PI-47061 [0,2,0,0,0,0|1,0,0]=3 109 B5R0.1 C(CCl)C(=O)Cl PI-48842 [0,2,0,0,0,0|1,0,0]=3 110 B5R0.1 CC#CC(=O)O PI-12861 [0,2,0,0,0,0|0,0,0]=2 111 B5R0.1 CC(=C)CCBr PI-40493 [0,2,0,0,0,0|2,0,0]=4 112 B5R0.1 CC(=O)NCO PI-29791 [0,2,0,0,0,0|0,0,0]=2 113 B5R0.1 CC(CCO)N PI-34839 [0,2,0,0,0,0|1,0,1]=4 114 B5R0.1 CC(CCO)N PI-35494 [0,2,0,0,0,0|1,0,1]=4 115 B5R0.1 CC(CCO)O PI-15618 [0,2,0,0,0,0|0,0,2]=4 116 B5R0.1 CC=CC(=O)C PI-45740 [0,2,0,0,0,0|1,0,0]=3 117 B5R0.1 CCCC(=O)N PI-32787 [0,2,0,0,0,0|1,0,0]=3 118 B5R0.1 CCCC(C)O PI-42533 [0,2,0,0,0,0|1,0,1]=4 119 B5R0.1 CCC[C@@H](O)C PI-42532 [0,2,0,0,0,0|1,0,1]=4 120 B5R0.1 CCOC(=O)C PI-13192 [0,2,0,0,0,0|0,0,0]=2 121 B5R0.1 CCOC(=S)[S-] PI-47063 [0,2,0,0,0,0|0,2,0]=4 122 B5R0.1 CCO[Si](C)C PI-50089 [0,2,0,0,0,0|1,1,0]=4 123 B5R0.1 CCSC(=O)C PI-48509 [0,2,0,0,0,0|0,1,0]=3 124 B5R0.1 CCSC(=O)Cl PI-38596 [0,2,0,0,0,0|1,0,0]=3 125 B5R0.1 CNCC(=O)O PI-45053 [0,2,0,0,0,0|0,0,0]=2 126 B5R0.1 COCC(O)C PI-12912 [0,2,0,0,0,0|0,0,2]=4 127 B5R0.1 CSCC(=O)N PI-36555 [0,2,0,0,0,0|1,0,0]=3 128 B5R0.1 C[C@H](CCO)N PI-35493 [0,2,0,0,0,0|1,0,1]=4 129 B5R0.1 C\C=C\C(=O)N PI-50568 [0,2,0,0,0,0|1,0,0]=3 130 B5R0.1 C\C=C\C(=O)O PI-48966 [0,2,0,0,0,0|0,0,0]=2 131 B5R0.1 NC(CCC)=N PI-37197 [0,2,0,0,0,0|2,0,0]=4 132 B5R0.1 NCCC(=O)O PI-14317 [0,2,0,0,0,0|0,0,0]=2 133 B5R0.1 O=C(O)CCS PI-40342 [0,2,0,0,0,0|0,0,0]=2 134 B5R0.1 O=C=NC(C)C PI-11403 [0,2,0,0,0,0|1,0,1]=4 135 B5R0.1 O=S(CSC)C PI-39632 [0,2,0,0,0,0|1,1,0]=4 136 B5R0.1 OC(CON)=O PI-37190 [0,2,0,0,0,0|0,0,0]=2 137 B5R0.1 OCCC(=C)Br PI-34814 [0,2,0,0,0,0|1,0,1]=4 138 B5R0.1 OCCC(=O)O PI-20855 [0,2,0,0,0,0|0,0,0]=2 139 B5R0.1 OCC[C@H](O)C PI-15617 [0,2,0,0,0,0|0,0,2]=4 140 B5R0.3 C(C(=O)NN)O PI-50333 [0,2,0,0,0,0|1,0,0]=3 141 B5R0.3 C(C(=O)NN)S PI-50542 [0,2,0,0,0,0|1,0,0]=3 142 B5R0.3 C(C(C=O)O)O PI-14881 [0,2,0,0,0,0|0,0,1]=3 143 B5R0.3 C(C(CBr)O)Br PI-47056 [0,2,0,0,0,0|1,0,1]=4 144 B5R0.3 C(C(CCl)O)F PI-20093 [0,2,0,0,0,0|1,0,1]=4 145 B5R0.3 C(C(CCl)O)O PI-16668 [0,2,0,0,0,0|0,0,2]=4 146 B5R0.3 C(C(CO)N)O PI-16192 [0,2,0,0,0,0|1,0,1]=4 147 B5R0.3 C(C(CO)O)N PI-10528 [0,2,0,0,0,0|0,0,2]=4 148 B5R0.3 C([C@@H](CCl)O)N PI-48662 [0,2,0,0,0,0|1,0,1]=4 149 B5R0.3 CCC(=C)C=O PI-44654 [0,2,0,0,0,0|1,0,0]=3 150 B5R0.3 CCC(=O)CBr PI-20588 [0,2,0,0,0,0|1,0,0]=3 151 B5R0.3 CCC(=O)NN PI-50290 [0,2,0,0,0,0|1,0,0]=3 152 B5R0.3 CCC(CO)N PI-45910 [0,2,0,0,0,0|1,0,1]=4 153 B5R0.3 CNC(=O)CCl PI-39443 [0,2,0,0,0,0|1,0,0]=3 154 B5R0.3 CNC(=S)NN PI-30834 [0,2,0,0,0,0|1,1,0]=4 155 B5R0.3 COC(=O)C#C PI-35828 [0,2,0,0,0,0|0,0,1]=3 156 B5R0.3 ClCC(=C)CCl PI-41237 [0,2,0,0,0,0|2,0,0]=4 157 B5R0.3 NCC(O)CO PI-12972 [0,2,0,0,0,0|0,0,2]=4 158 B5R0.3 NC[C@H](O)CO PI-28266 [0,2,0,0,0,0|0,0,2]=4 159 B5R0.3 NNC(=O)NN PI-25605 [0,2,0,0,0,0|2,0,0]=4 160 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,2,0,0,0,0|0,0,1]=3 161 B5R0.3 OCC(=C)CO PI-24347 [0,2,0,0,0,0|1,0,0]=3 162 B5R0.3 OCC(CO)N PI-10243 [0,2,0,0,0,0|1,0,1]=4 163 B5R0.3 OCC(O)CO PI-12961 [0,2,0,0,0,0|0,0,2]=4 164 B5R0.3 OC[C@H](O)CCl PI-16667 [0,2,0,0,0,0|0,0,2]=4 165 B5R0.4 CC(C)(C)N=O PI-30849 [0,2,0,0,0,0|1,0,1]=4 166 B5R0.4 CC(C)(CO)N PI-50412 [0,2,0,0,0,0|1,0,1]=4 167 B5R0.4 CCS(=O)(=O)Cl PI-42937 [0,2,0,0,0,0|1,0,1]=4 168 B5R0.4 CCS(=O)(=O)O PI-42934 [0,2,0,0,0,0|1,0,0]=3 169 B5R0.4 CO[Si](C)(C)C PI-45089 [0,2,0,0,0,0|1,1,0]=4 170 B5R0.4 CS(=O)(=O)NN PI-50415 [0,2,0,0,0,0|1,0,1]=4 171 B5R0.4 CSS(=O)(=O)C PI-24302 [0,2,0,0,0,0|1,0,1]=4 172 B5R0.4 C[Si](C)(C)CO PI-35298 [0,2,0,0,0,0|1,1,0]=4 173 B5R0.4 NCC(O)(C)C PI-37508 [0,2,0,0,0,0|1,0,1]=4 174 B5R0.4 NCS(=O)(=O)O PI-12154 [0,2,0,0,0,0|1,0,0]=3 175 B5R0.4 NOC(C)(C)C PI-38732 [0,2,0,0,0,0|1,0,1]=4 176 B5R0.4 OCC(F)(F)C PI-39537 [0,2,0,0,0,0|1,0,1]=4 177 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [0,2,0,0,0,0|1,0,0]=3 178 B5R0.5 C(C(=O)O)(F)F PI-21386 [0,2,0,0,0,0|0,0,0]=2 179 B5R0.5 C(C(=O)O)(N)O PI-48421 [0,2,0,0,0,0|0,0,0]=2 180 B5R0.5 C(F)(F)S(=O)[O-] PI-48896 [0,2,0,0,0,0|1,0,1]=4 181 B5R0.5 CC(=C)C(=O)C PI-41913 [0,2,0,0,0,0|1,0,0]=3 182 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,2,0,0,0,0|0,0,1]=3 183 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,2,0,0,0,0|0,0,1]=3 184 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,2,0,0,0,0|0,0,1]=3 185 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,2,0,0,0,0|0,0,1]=3 186 B5R0.5 CC(C(=O)C)Br PI-35002 [0,2,0,0,0,0|1,0,0]=3 187 B5R0.5 CC(C(=O)C)S PI-48502 [0,2,0,0,0,0|0,1,0]=3 188 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,2,0,0,0,0|1,0,0]=3 189 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,2,0,0,0,0|1,0,0]=3 190 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,2,0,0,0,0|1,0,0]=3 191 B5R0.5 CC(C(=O)N)C PI-28643 [0,2,0,0,0,0|1,0,0]=3 192 B5R0.5 CC(C(=O)N)N PI-16292 [0,2,0,0,0,0|1,0,0]=3 193 B5R0.5 CC(C(=O)N)N PI-42205 [0,2,0,0,0,0|1,0,0]=3 194 B5R0.5 CC(C(=O)O)Br PI-47030 [0,2,0,0,0,0|0,0,0]=2 195 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,2,0,0,0,0|0,0,0]=2 196 B5R0.5 CC(C(=O)O)F PI-40363 [0,2,0,0,0,0|0,0,0]=2 197 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,2,0,0,0,0|0,0,1]=3 198 B5R0.5 CC(C(C)S)O PI-13701 [0,2,0,0,0,0|0,1,1]=4 199 B5R0.5 CC(C(C)S)O PI-48503 [0,2,0,0,0,0|0,1,1]=4 200 B5R0.5 CN(C)C(=O)N PI-50675 [0,2,0,0,0,0|1,0,0]=3 201 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,2,0,0,0,0|0,0,0]=2 202 B5R0.5 C[C@H](C(=N)N)O PI-48998 [0,2,0,0,0,0|1,0,1]=4 203 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,2,0,0,0,0|0,0,0]=2 204 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [0,2,0,0,0,0|2,0,0]=4 205 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [0,2,0,0,0,0|0,0,1]=3 206 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,2,0,0,0,0|0,0,0]=2 207 B5R0.5 OC(=O)C(=O)C PI-15477 [0,2,0,0,0,0|0,0,0]=2 208 B5R1.2 C1C(=O)CN1 PI-48919 [0,1,0,1,0,0|1,0,0]=3 209 B5R1.2 NC1COC1 PI-41949 [0,1,0,1,0,0|1,0,1]=4 210 B5R1.2 O=C1CCC1 PI-36783 [0,1,0,1,0,0|1,0,0]=3 211 B5R1.2 O=C1COC1 PI-38969 [0,1,0,1,0,0|0,0,0]=2 212 B5R1.2 OC1CNC1 PI-20728 [0,1,0,1,0,0|1,0,1]=4 213 B5R1.2 OC1COC1 PI-38454 [0,1,0,1,0,0|0,0,2]=4 214 B5R1.3 C1C(O1)CO PI-10360 [0,1,0,1,0,0|0,0,2]=4 215 B5R1.3 ClCC1OC1 PI-37744 [0,1,0,1,0,0|1,0,1]=4 216 B5R1.3 ClC[C@@H]1CO1 PI-16630 [0,1,0,1,0,0|1,0,1]=4 217 B5R1.3 ClC[C@H]1CO1 PI-16629 [0,1,0,1,0,0|1,0,1]=4 218 B5R1.3 FCC1CO1 PI-22023 [0,1,0,1,0,0|1,0,1]=4 219 B5R1.3 O=CC1CC1 PI-39221 [0,1,0,1,0,0|1,0,1]=4 220 B5R1.3 OC[C@H]1CO1 PI-10359 [0,1,0,1,0,0|0,0,2]=4