0 B4R0.1 C(=O)(N)NO PI-15345 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C(C(=N)N)N PI-44870 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C(C(=O)Cl)Br PI-46514 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C(C(=O)N)I PI-47045 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C(C(=O)N)N PI-14271 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C(C(=O)[O-])Cl PI-44622 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C(C(F)F)N PI-48941 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 C=C(CBr)Br PI-10979 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CC(=C)CBr PI-46510 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 CC(=CBr)C PI-46509 [0,0,0,0,0,0|1,0,2]=3 10 B4R0.1 CC(=O)C#C PI-15653 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 CC(=O)CBr PI-38994 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(=O)NBr PI-47108 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CC(C#C)O PI-44141 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 CC(C)CN PI-46903 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 CC(C)NC PI-41120 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 CC(CN)O PI-16659 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.1 CC(CO)O PI-16674 [0,0,0,0,0,0|1,0,0]=1 18 B4R0.1 CC(O)=NO PI-10772 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 CC(O)C#C PI-43256 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 CCB(O)O PI-25578 [0,0,0,0,0,0|4,0,0]=4 21 B4R0.1 CCC(=N)N PI-35437 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 CCC(C)O PI-15619 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 CNN(C)C PI-40655 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.1 C[C@@H](CO)N PI-12236 [0,0,0,0,0,0|1,0,0]=1 25 B4R0.1 C[C@@H](N)CO PI-16472 [0,0,0,0,0,0|1,0,0]=1 26 B4R0.1 C[C@@H](O)CN PI-12234 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 ClCC(Cl)=C PI-15434 [0,0,0,0,0,0|2,0,2]=4 28 B4R0.1 NC(=N)CCl PI-30038 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 NC(=O)CBr PI-10963 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 NC[C@@H](N)C PI-39121 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 NNC(C)C PI-37110 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 OCC(F)F PI-21165 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.1 OC[C@H](O)C PI-16673 [0,0,0,0,0,0|1,0,0]=1 34 B3R0.1 BrCC#N PI-20513 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.1 C(CBr)Cl PI-44621 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 C(CF)F PI-21164 [1,0,0,0,0,0|2,0,0]=3 37 B3R0.1 C(CS)N PI-39848 [1,0,0,0,0,0|1,1,0]=3 38 B3R0.1 C(F)CN PI-41615 [1,0,0,0,0,0|2,0,0]=3 39 B3R0.1 CCC=O PI-28552 [1,0,0,0,0,0|0,0,2]=3 40 B3R0.1 CCCN PI-46904 [1,0,0,0,0,0|1,0,0]=2 41 B3R0.1 CCCN PI-46913 [1,0,0,0,0,0|1,0,0]=2 42 B3R0.1 CNCC PI-40147 [1,0,0,0,0,0|2,0,0]=3 43 B3R0.1 COCBr PI-22152 [1,0,0,0,0,0|2,0,0]=3 44 B3R0.1 CONC PI-16632 [1,0,0,0,0,0|3,0,0]=4 45 B3R0.1 C\C=N\O PI-37002 [1,0,0,0,0,0|1,0,1]=3 46 B3R0.1 NCC#C PI-38458 [1,0,0,0,0,0|1,0,2]=4 47 B3R0.1 NCC#N PI-38793 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.1 NCCN PI-38127 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.1 NCCN PI-38389 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.1 OCCBr PI-37291 [1,0,0,0,0,0|1,0,0]=2 51 B3R0.1 [CH2-]CCC PI-37346 [1,0,0,0,0,0|1,0,0]=2 52 B3R0.2 C(Cl)(Br)Br PI-23709 [1,0,0,0,0,0|3,0,0]=4 53 B3R0.2 CB(O)O PI-24088 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.2 CC(=O)O PI-11632 [1,0,0,0,0,0|1,0,1]=3 55 B3R0.2 CC(=O)O PI-38547 [1,0,0,0,0,0|1,0,1]=3 56 B3R0.2 CC(=O)[O-] PI-20290 [1,0,0,0,0,0|1,0,2]=4 57 B3R0.2 CC(=S)N PI-16528 [1,0,0,0,0,0|1,1,1]=4 58 B3R0.2 CC(C)[O-] PI-47044 [1,0,0,0,0,0|0,0,1]=2 59 B3R0.2 CC([O-])=S PI-36444 [1,0,0,0,0,0|1,0,2]=4 60 B3R0.2 C[S+](C)C PI-41785 [1,0,0,0,0,0|1,0,0]=2 61 B3R0.2 [O-]C(=O)C PI-37083 [1,0,0,0,0,0|1,0,2]=4 62 B3R0.2 [O-]C(=O)C PI-41421 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.1 BrCC=C(C)C PI-12725 [0,1,0,0,0,0|1,0,1]=3 64 B5R0.1 BrCCN(C)C PI-41040 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.1 CC(=C)CCBr PI-40493 [0,1,0,0,0,0|1,0,2]=4 66 B5R0.1 CC(=O)NCO PI-29791 [0,1,0,0,0,0|1,0,1]=3 67 B5R0.1 CC(CCO)N PI-34839 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.1 CC(CCO)N PI-35494 [0,1,0,0,0,0|1,0,0]=2 69 B5R0.1 CC(CCO)O PI-15618 [0,1,0,0,0,0|1,0,0]=2 70 B5R0.1 CCCC(C)N PI-36925 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.1 CCCC(C)O PI-42533 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 CCC[C@@H](O)C PI-42532 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.1 CCOC(=O)C PI-13192 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 CCO[Si](C)C PI-50089 [0,1,0,0,0,0|1,1,0]=3 75 B5R0.1 CCSC(=O)C PI-48509 [0,1,0,0,0,0|2,0,1]=4 76 B5R0.1 COCC(O)C PI-12912 [0,1,0,0,0,0|1,0,0]=2 77 B5R0.1 C[C@@H](CC#N)N PI-48104 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.1 C[C@H](CCO)N PI-35493 [0,1,0,0,0,0|1,0,0]=2 79 B5R0.1 O=C=NC(C)C PI-11403 [0,1,0,0,0,0|0,0,2]=3 80 B5R0.1 O=S(CSC)C PI-39632 [0,1,0,0,0,0|2,1,0]=4 81 B5R0.1 OC(CON)=O PI-37190 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.1 OCCC(=C)Br PI-34814 [0,1,0,0,0,0|1,0,2]=4 83 B5R0.1 OCCC(=O)O PI-20855 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.1 OCC[C@H](O)C PI-15617 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.3 C(C(=O)NN)O PI-50333 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.3 C(C(C=O)O)O PI-14881 [0,1,0,0,0,0|1,0,1]=3 87 B5R0.3 C(C(CBr)O)Br PI-47056 [0,1,0,0,0,0|2,0,0]=3 88 B5R0.3 C(C(CCl)O)F PI-20093 [0,1,0,0,0,0|2,0,0]=3 89 B5R0.3 C(C(CCl)O)O PI-16668 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.3 C(C(CO)N)O PI-16192 [0,1,0,0,0,0|1,0,0]=2 91 B5R0.3 C(C(CO)O)N PI-10528 [0,1,0,0,0,0|1,0,0]=2 92 B5R0.3 C([C@@H](CCl)O)N PI-48662 [0,1,0,0,0,0|2,0,0]=3 93 B5R0.3 C=C[C@H](CO)N PI-48191 [0,1,0,0,0,0|1,0,1]=3 94 B5R0.3 CCC(=O)CBr PI-20588 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.3 CCC(CO)N PI-45910 [0,1,0,0,0,0|1,0,0]=2 96 B5R0.3 CNC(=O)CCl PI-39443 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.3 ClCC(=C)CCl PI-41237 [0,1,0,0,0,0|1,0,2]=4 98 B5R0.3 NCC(O)CO PI-12972 [0,1,0,0,0,0|1,0,0]=2 99 B5R0.3 NC[C@H](O)CO PI-28266 [0,1,0,0,0,0|1,0,0]=2 100 B5R0.3 N[C@H](CO)C=C PI-36414 [0,1,0,0,0,0|1,0,1]=3 101 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.3 OCC(=C)CO PI-24347 [0,1,0,0,0,0|0,0,2]=3 103 B5R0.3 OCC(CO)N PI-10243 [0,1,0,0,0,0|1,0,0]=2 104 B5R0.3 OCC(O)CO PI-12961 [0,1,0,0,0,0|1,0,0]=2 105 B5R0.3 OC[C@H](O)CCl PI-16667 [0,1,0,0,0,0|1,0,0]=2 106 B5R0.4 C#C[Si](C)(C)C PI-35341 [0,1,0,0,0,0|1,1,1]=4 107 B5R0.4 C(C(F)(F)F)N PI-40173 [0,1,0,0,0,0|3,0,0]=4 108 B5R0.4 C=C[Si](C)(C)C PI-35331 [0,1,0,0,0,0|1,1,1]=4 109 B5R0.4 CC(C)(C#N)N PI-12615 [0,1,0,0,0,0|1,0,1]=3 110 B5R0.4 CC(C)(C)C#C PI-12884 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.4 CC(C)(C)CN PI-21979 [0,1,0,0,0,0|1,0,0]=2 112 B5R0.4 CC(C)(C)N=O PI-30849 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.4 CC(C)(CO)N PI-50412 [0,1,0,0,0,0|0,0,0]=1 114 B5R0.4 CC(CCl)(F)Cl PI-21038 [0,1,0,0,0,0|2,0,0]=3 115 B5R0.4 CC([N+]#[C-])(C)C PI-22951 [0,1,0,0,0,0|2,0,0]=3 116 B5R0.4 CCC(C)(C)[O-] PI-38669 [0,1,0,0,0,0|1,0,0]=2 117 B5R0.4 CO[Si](C)(C)C PI-45089 [0,1,0,0,0,0|2,1,0]=4 118 B5R0.4 C[N+](C)(C)CI PI-29556 [0,1,0,0,0,0|2,0,0]=3 119 B5R0.4 C[Si](C)(C)CBr PI-35301 [0,1,0,0,0,0|1,1,0]=3 120 B5R0.4 C[Si](C)(C)CI PI-35317 [0,1,0,0,0,0|1,1,0]=3 121 B5R0.4 C[Si](C)(C)CN PI-35316 [0,1,0,0,0,0|1,1,0]=3 122 B5R0.4 C[Si](C)(C)CO PI-35298 [0,1,0,0,0,0|0,1,0]=2 123 B5R0.4 C[Si](C)(C=C)Cl PI-45014 [0,1,0,0,0,0|1,1,1]=4 124 B5R0.4 C[Si](C)(CCl)Cl PI-24149 [0,1,0,0,0,0|1,1,0]=3 125 B5R0.4 ClC[Si](C)(C)C PI-12821 [0,1,0,0,0,0|1,1,0]=3 126 B5R0.4 FC(F)(F)CN PI-40174 [0,1,0,0,0,0|3,0,0]=4 127 B5R0.4 N#CC(C)(C)C PI-37332 [0,1,0,0,0,0|1,0,1]=3 128 B5R0.4 NCC(C)(C)C PI-14589 [0,1,0,0,0,0|1,0,0]=2 129 B5R0.4 NCC(O)(C)C PI-37508 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.4 NOC(C)(C)C PI-38732 [0,1,0,0,0,0|2,0,0]=3 131 B5R0.4 OCC(F)(F)C PI-39537 [0,1,0,0,0,0|1,0,0]=2 132 B5R0.5 C(C(=O)O)(F)F PI-21386 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.5 C(C(=O)O)(N)O PI-48421 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.5 C(C(Br)Br)(Br)Br PI-45723 [0,1,0,0,0,0|3,0,0]=4 135 B5R0.5 CC(C(=O)C)Br PI-35002 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.5 CC(C(=O)C)S PI-48502 [0,1,0,0,0,0|1,0,2]=4 137 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,1,0,0,0,0|1,0,2]=4 138 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,1,0,0,0,0|1,0,2]=4 139 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,1,0,0,0,0|1,0,2]=4 140 B5R0.5 CC(C(=O)N)C PI-28643 [0,1,0,0,0,0|0,0,2]=3 141 B5R0.5 CC(C(=O)N)N PI-16292 [0,1,0,0,0,0|1,0,2]=4 142 B5R0.5 CC(C(=O)N)N PI-42205 [0,1,0,0,0,0|1,0,2]=4 143 B5R0.5 CC(C(=O)O)Br PI-47030 [0,1,0,0,0,0|1,0,1]=3 144 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,1,0,0,0,0|1,0,1]=3 145 B5R0.5 CC(C(=O)O)F PI-40363 [0,1,0,0,0,0|1,0,1]=3 146 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,1,0,0,0,0|1,0,2]=4 147 B5R0.5 CC(C(C)S)O PI-13701 [0,1,0,0,0,0|1,0,0]=2 148 B5R0.5 CC(C(C)S)O PI-48503 [0,1,0,0,0,0|1,0,0]=2 149 B5R0.5 CC(C(C)S)S PI-48471 [0,1,0,0,0,0|1,1,0]=3 150 B5R0.5 CN(C)C(=O)N PI-50675 [0,1,0,0,0,0|1,0,2]=4 151 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,1,0,0,0,0|1,0,1]=3 152 B5R0.5 C[C@H](C(=N)N)O PI-48998 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,1,0,0,0,0|1,0,1]=3 154 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.5 FC(C(Cl)F)Cl PI-21026 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,1,0,0,0,0|1,0,1]=3 157 B5R0.5 OC(=O)C(=O)C PI-15477 [0,1,0,0,0,0|1,0,2]=4 158 B5R1.2 BrC1CCC1 PI-37245 [0,0,0,1,0,0|2,0,0]=3 159 B5R1.2 C1C(=O)CN1 PI-48919 [0,0,0,1,0,0|2,0,1]=4 160 B5R1.2 FC1CNC1 PI-36097 [0,0,0,1,0,0|2,0,0]=3 161 B5R1.2 NC1CCC1 PI-15786 [0,0,0,1,0,0|2,0,0]=3 162 B5R1.2 NC1COC1 PI-41949 [0,0,0,1,0,0|1,0,0]=2 163 B5R1.2 O=C1CCC1 PI-36783 [0,0,0,1,0,0|2,0,1]=4 164 B5R1.2 O=C1COC1 PI-38969 [0,0,0,1,0,0|1,0,1]=3 165 B5R1.2 OC1CNC1 PI-20728 [0,0,0,1,0,0|2,0,0]=3 166 B5R1.2 OC1COC1 PI-38454 [0,0,0,1,0,0|1,0,0]=2 167 B5R1.3 BrCC1CC1 PI-12057 [0,0,0,1,0,0|1,0,0]=2 168 B5R1.3 C#CC1CC1 PI-12107 [0,0,0,1,0,0|1,0,1]=3 169 B5R1.3 C1C(O1)CO PI-10360 [0,0,0,1,0,0|1,0,0]=2 170 B5R1.3 C1CC1CN PI-17835 [0,0,0,1,0,0|1,0,0]=2 171 B5R1.3 C1CC1NN PI-45737 [0,0,0,1,0,0|2,0,0]=3 172 B5R1.3 ClCC1OC1 PI-37744 [0,0,0,1,0,0|2,0,0]=3 173 B5R1.3 ClC[C@@H]1CO1 PI-16630 [0,0,0,1,0,0|2,0,0]=3 174 B5R1.3 ClC[C@H]1CO1 PI-16629 [0,0,0,1,0,0|2,0,0]=3 175 B5R1.3 FCC1CO1 PI-22023 [0,0,0,1,0,0|2,0,0]=3 176 B5R1.3 N#CC1CC1 PI-31230 [0,0,0,1,0,0|1,0,1]=3 177 B5R1.3 NCC1CC1 PI-12825 [0,0,0,1,0,0|1,0,0]=2 178 B5R1.3 NNC1CC1 PI-38386 [0,0,0,1,0,0|2,0,0]=3 179 B5R1.3 O=CC1CC1 PI-39221 [0,0,0,1,0,0|0,0,2]=3 180 B5R1.3 OC[C@H]1CO1 PI-10359 [0,0,0,1,0,0|1,0,0]=2 181 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [0,0,0,1,0,0|2,0,0]=3 182 B2R0.1 C(F)I PI-46452 [2,0,0,0,0,0|2,0,0]=4 183 B2R0.1 CNO PI-24407 [2,0,0,0,0,0|1,0,0]=3 184 B2R0.1 CON PI-12344 [2,0,0,0,0,0|2,0,0]=4 185 B2R0.1 CSC PI-50002 [2,0,0,0,0,0|1,0,0]=3 186 B2R0.1 ON=O PI-38467 [2,0,0,0,0,0|2,0,0]=4 187 B4R0.2 C#CCCCl PI-38919 [1,1,0,0,0,0|1,0,1]=4 188 B4R0.2 C#CCCN PI-40906 [1,1,0,0,0,0|1,0,1]=4 189 B4R0.2 C#CCCO PI-16501 [1,1,0,0,0,0|0,0,1]=3 190 B4R0.2 C(CF)CF PI-21236 [1,1,0,0,0,0|1,0,0]=3 191 B4R0.2 C(CF)CI PI-41494 [1,1,0,0,0,0|1,0,0]=3 192 B4R0.2 C(CN)CN PI-19035 [1,1,0,0,0,0|1,0,0]=3 193 B4R0.2 C(CN)CN PI-46906 [1,1,0,0,0,0|1,0,0]=3 194 B4R0.2 C(CN)CS PI-39174 [1,1,0,0,0,0|0,1,0]=3 195 B4R0.2 C(CO)CBr PI-15814 [1,1,0,0,0,0|0,0,0]=2 196 B4R0.2 C(CO)CI PI-50488 [1,1,0,0,0,0|0,0,0]=2 197 B4R0.2 C(CS)CS PI-11004 [1,1,0,0,0,0|0,1,0]=3 198 B4R0.2 C=CCCBr PI-20589 [1,1,0,0,0,0|1,0,1]=4 199 B4R0.2 C=CCON PI-47075 [1,1,0,0,0,0|0,0,2]=4 200 B4R0.2 CC#CCBr PI-20598 [1,1,0,0,0,0|1,0,1]=4 201 B4R0.2 CC#CCO PI-15652 [1,1,0,0,0,0|0,0,1]=3 202 B4R0.2 CC=CCO PI-41583 [1,1,0,0,0,0|0,0,1]=3 203 B4R0.2 CCCCCl PI-44613 [1,1,0,0,0,0|1,0,0]=3 204 B4R0.2 CCCNC PI-39187 [1,1,0,0,0,0|1,0,0]=3 205 B4R0.2 CCOC=C PI-12733 [1,1,0,0,0,0|1,0,1]=4 206 B4R0.2 CNCC#N PI-14282 [1,1,0,0,0,0|1,0,1]=4 207 B4R0.2 CNCC=C PI-41121 [1,1,0,0,0,0|1,0,1]=4 208 B4R0.2 COCCBr PI-21426 [1,1,0,0,0,0|1,0,0]=3 209 B4R0.2 ClCCNC PI-41980 [1,1,0,0,0,0|1,0,0]=3 210 B4R0.2 NCCC#C PI-36764 [1,1,0,0,0,0|1,0,1]=4 211 B4R0.2 OCCCS PI-39546 [1,1,0,0,0,0|0,0,0]=2 212 B4R0.3 CC(C)(C)N PI-49998 [1,1,0,0,0,0|0,0,0]=2 213 B4R0.3 CC(C)(F)F PI-21237 [1,1,0,0,0,0|1,0,0]=3 214 B4R0.3 C[N+](C)(C)C PI-46901 [1,1,0,0,0,0|1,0,0]=3 215 B4R0.3 C[S+](=O)(C)C PI-35968 [1,1,0,0,0,0|1,0,0]=3 216 B4R0.3 C[Si](C)(C)C PI-50125 [1,1,0,0,0,0|0,1,0]=3 217 B4R0.3 C[Si](C)(C)Cl PI-44933 [1,1,0,0,0,0|0,1,0]=3 218 B4R0.3 C[Si](C)(F)F PI-21946 [1,1,0,0,0,0|1,1,0]=4 219 B4R0.3 [O-][N+](C)(C)C PI-30801 [1,1,0,0,0,0|1,0,0]=3 220 B4R0.3 [O-][Si](C)(C)C PI-35304 [1,1,0,0,0,0|0,1,0]=3 221 B6R0.1 C(C#N)C(CCl)O PI-16669 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,2,0,0,0,0|1,0,1]=4 223 B6R0.1 C(CBr)C(CO)O PI-40398 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.1 C(CO)C(CO)O PI-28525 [0,2,0,0,0,0|1,0,0]=3 225 B6R0.1 C(CO)C(CO)O PI-28767 [0,2,0,0,0,0|1,0,0]=3 226 B6R0.1 C(CO)C(CO)O PI-44643 [0,2,0,0,0,0|1,0,0]=3 227 B6R0.1 CC(CC=O)SC PI-48524 [0,2,0,0,0,0|0,0,1]=3 228 B6R0.1 CC(CCN)CO PI-48961 [0,2,0,0,0,0|0,0,0]=2 229 B6R0.1 CCC(C)N=C=S PI-22956 [0,2,0,0,0,0|0,1,1]=4 230 B6R0.1 CCCC(CC)Cl PI-46859 [0,2,0,0,0,0|2,0,0]=4 231 B6R0.1 CCCC(CO)O PI-13556 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.1 CNCC(CO)O PI-34729 [0,2,0,0,0,0|1,0,0]=3 233 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,2,0,0,0,0|0,0,0]=2 234 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,2,0,0,0,0|1,0,1]=4 235 B6R0.1 O=C(OC)CCO PI-41038 [0,2,0,0,0,0|1,0,1]=4 236 B6R0.1 O[C@H](CCl)CC#N PI-10363 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,2,0,0,0,0|0,0,2]=4 238 B6R0.2 CC(C)CB(O)O PI-37377 [0,2,0,0,0,0|0,0,0]=2 239 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,2,0,0,0,0|0,0,1]=3 240 B6R0.2 CC(C)NC(C)C PI-41089 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.2 CC(C)NC(C)C PI-45766 [0,2,0,0,0,0|1,0,0]=3 242 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,2,0,0,0,0|0,1,1]=4 243 B6R0.2 CC(CC(=O)O)N PI-35438 [0,2,0,0,0,0|1,0,0]=3 244 B6R0.2 CC(CC(=O)O)N PI-35481 [0,2,0,0,0,0|1,0,0]=3 245 B6R0.2 CC(CC(=O)O)N PI-43821 [0,2,0,0,0,0|1,0,0]=3 246 B6R0.2 CC(CC(=O)O)O PI-47070 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.2 CC(CC(C)Br)Br PI-25295 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.2 CN(C)CC(=O)O PI-15416 [0,2,0,0,0,0|1,0,0]=3 249 B6R0.2 CN(C)CC(=S)N PI-12763 [0,2,0,0,0,0|1,1,0]=4 250 B6R0.2 CN(CN(C)C)C PI-39543 [0,2,0,0,0,0|2,0,0]=4 251 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,2,0,0,0,0|1,0,0]=3 252 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,2,0,0,0,0|1,0,0]=3 253 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,2,0,0,0,0|1,0,1]=4 254 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [0,2,0,0,0,0|1,0,1]=4 256 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,2,0,0,0,0|1,0,1]=4 257 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,2,0,0,0,0|1,0,1]=4 258 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,2,0,0,0,0|1,0,1]=4 259 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,2,0,0,0,0|1,0,1]=4 261 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,2,0,0,0,0|1,0,1]=4 262 B6R0.3 CC(C(=O)O)NC PI-27549 [0,2,0,0,0,0|0,0,1]=3 263 B6R0.3 CC(C(=O)O)NC PI-27557 [0,2,0,0,0,0|0,0,1]=3 264 B6R0.3 CC(C(=O)OC)Cl PI-13042 [0,2,0,0,0,0|1,0,1]=4 265 B6R0.3 CC(C(=O)OC)N PI-31127 [0,2,0,0,0,0|1,0,1]=4 266 B6R0.3 CC(CI)C(=C)I PI-44163 [0,2,0,0,0,0|1,0,1]=4 267 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,2,0,0,0,0|0,0,2]=4 268 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,2,0,0,0,0|2,0,0]=4 269 B6R0.3 CCC(=O)C(C)C PI-39171 [0,2,0,0,0,0|1,0,0]=3 270 B6R0.3 CCC(C(=O)C)S PI-48501 [0,2,0,0,0,0|2,0,0]=4 271 B6R0.3 CCC(C(=O)O)N PI-28320 [0,2,0,0,0,0|1,0,1]=4 272 B6R0.3 CCC(C(=O)O)N PI-43844 [0,2,0,0,0,0|1,0,1]=4 273 B6R0.3 CCC(C(C)Br)Br PI-25651 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,2,0,0,0,0|1,0,1]=4 275 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,2,0,0,0,0|0,0,1]=3 276 B6R0.3 CN(C)C(=O)CBr PI-40959 [0,2,0,0,0,0|2,0,0]=4 277 B6R0.3 COC(=O)C(N)C PI-10065 [0,2,0,0,0,0|1,0,1]=4 278 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,2,0,0,0,0|1,0,1]=4 279 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,2,0,0,0,0|1,0,1]=4 280 B6R0.3 NC(C(=O)O)CN PI-10165 [0,2,0,0,0,0|1,0,1]=4 281 B6R0.3 NC(C(=O)O)CN PI-35820 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.3 NC(CO)C(O)=O PI-35846 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.3 NC(CS)C(=O)O PI-15748 [0,2,0,0,0,0|1,0,1]=4 284 B6R0.3 NCC(=O)N(C)C PI-34626 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.3 NCC(C(=O)O)O PI-38395 [0,2,0,0,0,0|1,0,1]=4 286 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,2,0,0,0,0|1,0,1]=4 287 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,2,0,0,0,0|1,0,1]=4 288 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,2,0,0,0,0|1,0,1]=4 289 B6R0.3 O=C(O)C(C)CN PI-42145 [0,2,0,0,0,0|0,0,1]=3 290 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,2,0,0,0,0|1,0,1]=4 291 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,2,0,0,0,0|0,0,0]=2 292 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,2,0,0,0,0|0,0,0]=2 293 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [0,2,0,0,0,0|1,0,0]=3 294 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,2,0,0,0,0|0,0,1]=3 295 B6R0.3 [O-][N+](=O)C(CO)C PI-42624 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.4 CCC#CC(C)O PI-10903 [0,2,0,0,0,0|2,0,0]=4 297 B6R0.4 CCCCC(C)O PI-42555 [0,2,0,0,0,0|2,0,0]=4 298 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,2,0,0,0,0|2,0,0]=4 299 B6R0.4 CN(C)CCCCl PI-50389 [0,2,0,0,0,0|2,0,0]=4 300 B6R0.4 CN(C)CCCO PI-31996 [0,2,0,0,0,0|1,0,0]=3 301 B6R0.4 CN(C)CCON PI-47242 [0,2,0,0,0,0|1,0,0]=3 302 B6R0.4 CNCCN(C)C PI-39257 [0,2,0,0,0,0|2,0,0]=4 303 B6R0.4 ClCCCN(C)C PI-34098 [0,2,0,0,0,0|2,0,0]=4 304 B6R0.4 OCCCC(=O)C PI-13555 [0,2,0,0,0,0|1,0,1]=4 305 B6R0.5 C#CC[Si](C)(C)C PI-45079 [0,2,0,0,0,0|1,1,0]=4 306 B6R0.5 C=CC[Si](C)(C)C PI-35320 [0,2,0,0,0,0|1,1,0]=4 307 B6R0.5 CC(C)(C)N=C=S PI-22958 [0,2,0,0,0,0|0,1,1]=4 308 B6R0.5 CC(C)(CSC)N PI-50645 [0,2,0,0,0,0|0,1,0]=3 309 B6R0.5 CCC[Si](Cl)(C)C PI-45076 [0,2,0,0,0,0|1,1,0]=4 310 B6R0.5 CCOC(C)(C)C PI-39331 [0,2,0,0,0,0|1,0,0]=3 311 B6R0.5 CCO[Si](C)(C)C PI-45123 [0,2,0,0,0,0|1,1,0]=4 312 B6R0.5 C[Si](C)(C)CCBr PI-45024 [0,2,0,0,0,0|1,1,0]=4 313 B6R0.5 O=CCC(C)(C)C PI-36862 [0,2,0,0,0,0|0,0,1]=3 314 B6R0.5 OCCC(C)(C)C PI-38249 [0,2,0,0,0,0|0,0,0]=2 315 B6R0.5 OCCC(F)(F)F PI-39031 [0,2,0,0,0,0|2,0,0]=4 316 B6R0.5 OCC[Si](C)(C)C PI-13045 [0,2,0,0,0,0|0,1,0]=3 317 B6R0.8 C(C(CN)(F)F)N PI-49264 [0,2,0,0,0,0|2,0,0]=4 318 B6R0.8 CC(N)(CC)C#C PI-36167 [0,2,0,0,0,0|1,0,1]=4 319 B6R0.9 B(CC)(CC)CC PI-50005 [0,2,0,0,0,0|2,0,0]=4 320 B6R0.9 CCC(CC)CBr PI-47059 [0,2,0,0,0,0|1,0,0]=3 321 B6R0.9 COC(C=C)OC PI-42093 [0,2,0,0,0,0|1,0,1]=4 322 B6R0.9 OCC(CC)CO PI-41977 [0,2,0,0,0,0|0,0,0]=2 323 B6R0.9 OCC(CO)CO PI-37259 [0,2,0,0,0,0|0,0,0]=2 324 B6R0.9 OCC(OC)CO PI-46661 [0,2,0,0,0,0|0,0,0]=2 325 B6R0.7 CC(C(F)(F)F)N PI-40169 [0,2,0,0,0,0|2,0,0]=4 326 B6R0.7 CC(C(F)(F)F)N PI-40170 [0,2,0,0,0,0|2,0,0]=4 327 B6R0.7 CC(C(F)(F)F)O PI-40168 [0,2,0,0,0,0|2,0,0]=4 328 B6R0.7 CC(C)(C(=O)Cl)Br PI-44610 [0,2,0,0,0,0|0,0,2]=4 329 B6R0.7 CC(C)(C(=O)N)N PI-42207 [0,2,0,0,0,0|0,0,2]=4 330 B6R0.7 CC(C)(C(=O)N)O PI-15708 [0,2,0,0,0,0|0,0,2]=4 331 B6R0.7 CC(C)(C)C(=O)Cl PI-44939 [0,2,0,0,0,0|0,0,2]=4 332 B6R0.7 CC(C)(C)C(=O)N PI-19885 [0,2,0,0,0,0|0,0,2]=4 333 B6R0.7 CC(C)(N)C(O)=O PI-37329 [0,2,0,0,0,0|0,0,1]=3 334 B6R0.7 CC(S(=O)N)(C)C PI-38771 [0,2,0,0,0,0|1,0,1]=4 335 B6R0.7 CC([S@@](=O)N)(C)C PI-12385 [0,2,0,0,0,0|1,0,1]=4 336 B6R0.7 C[C@@H](C(C)(C)C)O PI-49836 [0,2,0,0,0,0|0,0,0]=2 337 B6R0.7 C[C@@H](C(F)(F)F)N PI-48928 [0,2,0,0,0,0|2,0,0]=4 338 B6R0.7 C[SiH](C(C)(C)C)C PI-38471 [0,2,0,0,0,0|1,1,0]=4 339 B6R0.7 OC(=O)C(C)(C)O PI-11239 [0,2,0,0,0,0|0,0,1]=3 340 B6R0.7 OC(=O)C(F)(F)C PI-39351 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.7 OC(C(F)(F)F)O PI-38860 [0,2,0,0,0,0|2,0,0]=4 342 B6R0.7 [O-]C(=O)C(C)(C)C PI-38667 [0,2,0,0,0,0|0,0,2]=4 343 B4R1.1 C1CNC1 PI-35164 [1,0,0,1,0,0|1,0,0]=3 344 B4R1.1 C1CNC1 PI-39009 [1,0,0,1,0,0|1,0,0]=3 345 B4R1.2 C1CC1Br PI-20927 [1,0,0,1,0,0|1,0,0]=3 346 B4R1.2 C[C@@H]1CO1 PI-10840 [1,0,0,1,0,0|0,0,0]=2 347 B4R1.2 C[C@H]1CO1 PI-10843 [1,0,0,1,0,0|0,0,0]=2 348 B4R1.2 NC1CC1 PI-10868 [1,0,0,1,0,0|1,0,0]=3 349 B6R1.2 C1C=CCC1N PI-35476 [0,1,0,1,0,0|2,0,0]=4 350 B6R1.2 C1CNCC1F PI-37496 [0,1,0,1,0,0|2,0,0]=4 351 B6R1.2 C1CNCC1N PI-12334 [0,1,0,1,0,0|2,0,0]=4 352 B6R1.2 C1CNCC1N PI-15467 [0,1,0,1,0,0|2,0,0]=4 353 B6R1.2 C1CNCC1N PI-15468 [0,1,0,1,0,0|2,0,0]=4 354 B6R1.2 C1CNCC1N PI-16581 [0,1,0,1,0,0|2,0,0]=4 355 B6R1.2 C1CNCC1N PI-16582 [0,1,0,1,0,0|2,0,0]=4 356 B6R1.2 C1CNCC1O PI-10126 [0,1,0,1,0,0|2,0,0]=4 357 B6R1.2 C1CNCC1O PI-42733 [0,1,0,1,0,0|2,0,0]=4 358 B6R1.2 C1COCC1Cl PI-42699 [0,1,0,1,0,0|1,0,0]=3 359 B6R1.2 C1COCC1N PI-42643 [0,1,0,1,0,0|1,0,0]=3 360 B6R1.2 C1COCC1N PI-44061 [0,1,0,1,0,0|1,0,0]=3 361 B6R1.2 C1COCC1O PI-42698 [0,1,0,1,0,0|1,0,0]=3 362 B6R1.2 C1CSCC1O PI-48171 [0,1,0,1,0,0|1,1,0]=4 363 B6R1.2 CC1CCCN1 PI-35484 [0,1,0,1,0,0|1,0,0]=3 364 B6R1.2 CC1CCCN1 PI-35485 [0,1,0,1,0,0|1,0,0]=3 365 B6R1.2 CC1CCCS1 PI-47093 [0,1,0,1,0,0|1,0,0]=3 366 B6R1.2 CC1CCNC1 PI-48326 [0,1,0,1,0,0|1,0,0]=3 367 B6R1.2 CC1CNCC1 PI-36287 [0,1,0,1,0,0|1,0,0]=3 368 B6R1.2 CN1CCCC1 PI-49852 [0,1,0,1,0,0|2,0,0]=4 369 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,1,0,1,0,0|1,0,0]=3 370 B6R1.2 FC1CNCC1 PI-38496 [0,1,0,1,0,0|2,0,0]=4 371 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,1,0,1,0,0|2,0,0]=4 372 B6R1.2 IC1COCC1 PI-42701 [0,1,0,1,0,0|1,0,0]=3 373 B6R1.2 NC1CCNC1 PI-42734 [0,1,0,1,0,0|2,0,0]=4 374 B6R1.2 NC1COCC1 PI-42705 [0,1,0,1,0,0|1,0,0]=3 375 B6R1.2 O=C1CCOC1 PI-42678 [0,1,0,1,0,0|1,0,1]=4 376 B6R1.2 OC1CC=CC1 PI-38265 [0,1,0,1,0,0|2,0,0]=4 377 B6R1.2 OC1COCC1 PI-20870 [0,1,0,1,0,0|1,0,0]=3 378 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,1,0,1,0,0|1,0,0]=3 379 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,1,0,1,0,0|2,0,0]=4 380 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,1,0,1,0,0|2,0,0]=4 381 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,1,0,1,0,0|1,0,0]=3 382 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,1,0,1,0,0|2,0,0]=4 383 B6R1.3 C1CC1CCI PI-48331 [0,1,0,1,0,0|1,0,0]=3 384 B6R1.3 COCC1CO1 PI-24540 [0,1,0,1,0,0|1,0,0]=3 385 B6R1.3 COCC1CO1 PI-24541 [0,1,0,1,0,0|1,0,0]=3 386 B6R1.3 N#CCC1CC1 PI-13560 [0,1,0,1,0,0|1,0,0]=3 387 B6R1.3 OCCC1CC1 PI-17339 [0,1,0,1,0,0|0,0,0]=2 388 B6R1.5 C1C(CC1=O)N PI-48953 [0,1,0,1,0,0|1,0,1]=4 389 B6R1.5 OC1CN(C1)C PI-37502 [0,1,0,1,0,0|1,0,0]=3 390 B6R1.10 C[Si]1(CCC1)Cl PI-45038 [0,1,0,1,0,0|1,1,0]=4 391 B6R1.11 C1CC1C(=N)N PI-13557 [0,1,0,1,0,0|1,0,1]=4 392 B6R1.11 C1CC1C(=O)Cl PI-32773 [0,1,0,1,0,0|0,0,2]=4 393 B6R1.11 C1CC1C(=O)N PI-30796 [0,1,0,1,0,0|0,0,2]=4 394 B6R1.11 CC(=O)C1CC1 PI-12875 [0,1,0,1,0,0|0,0,2]=4 395 B6R1.11 C[C@@H](C1CC1)N PI-48052 [0,1,0,1,0,0|1,0,0]=3 396 B6R1.11 OB(O)C1CC1 PI-25551 [0,1,0,1,0,0|1,0,0]=3 397 B6R1.6 BrCC1CCC1 PI-28204 [0,1,0,1,0,0|1,0,0]=3 398 B6R1.6 C1C(CO1)C=O PI-48343 [0,1,0,1,0,0|0,0,1]=3 399 B6R1.6 C1C(CO1)CO PI-48337 [0,1,0,1,0,0|0,0,0]=2 400 B6R1.6 C1CC(C1)CO PI-28530 [0,1,0,1,0,0|0,0,0]=2 401 B6R1.6 COC1CNC1 PI-36805 [0,1,0,1,0,0|1,0,0]=3 402 B6R1.6 COC1CNC1 PI-48292 [0,1,0,1,0,0|1,0,0]=3 403 B6R1.6 N#CC1CNC1 PI-36275 [0,1,0,1,0,0|1,0,1]=4 404 B6R1.6 NCC1CCC1 PI-42247 [0,1,0,1,0,0|1,0,0]=3 405 B6R1.6 O=CC1CCC1 PI-36863 [0,1,0,1,0,0|0,0,2]=4 406 B6R1.6 OCC1COC1 PI-38455 [0,1,0,1,0,0|0,0,0]=2 407 B6R1.7 C1CC1(C#N)Br PI-42963 [0,1,0,1,0,0|1,0,1]=4 408 B6R1.7 C1CC1(C#N)N PI-35838 [0,1,0,1,0,0|1,0,1]=4 409 B6R1.7 C1CC1(CO)N PI-36053 [0,1,0,1,0,0|0,0,0]=2 410 B6R1.7 CC1(CO1)C=C PI-48078 [0,1,0,1,0,0|0,0,1]=3 411 B6R1.7 NCC1(O)CC1 PI-36049 [0,1,0,1,0,0|1,0,0]=3 412 B6R1.7 SCC1(C)CC1 PI-37767 [0,1,0,1,0,0|0,1,0]=3