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|3,0,0]=3 3 B3R0.2 CB(O)O PI-24088 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC(=O)O PI-11632 [0,0,0,0,0,0|1,0,0]=1 5 B3R0.2 CC(=O)O PI-38547 [0,0,0,0,0,0|1,0,0]=1 6 B3R0.2 CC(=O)[O-] PI-20290 [0,0,0,0,0,0|1,0,1]=2 7 B3R0.2 CC(=S)N PI-16528 [0,0,0,0,0,0|2,1,0]=3 8 B3R0.2 CC(C)[O-] PI-47044 [0,0,0,0,0,0|2,0,2]=4 9 B3R0.2 CC([O-])=S PI-36444 [0,0,0,0,0,0|1,1,1]=3 10 B3R0.2 C[S+](C)C PI-41785 [0,0,0,0,0,0|4,0,0]=4 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|1,0,1]=2 15 B3R0.2 [O-]C(=O)C PI-41421 [0,0,0,0,0,0|1,0,1]=2 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|2,0,0]=3 18 B2R0.1 CON PI-12344 [1,0,0,0,0,0|3,0,0]=4 19 B2R0.1 CSC PI-50002 [1,0,0,0,0,0|3,0,0]=4 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|2,0,0]=3 27 B4R0.1 C(=C(F)Cl)Cl PI-21037 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.1 C(=C(F)Cl)F PI-20042 [0,1,0,0,0,0|3,0,0]=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|3,0,0]=4 31 B4R0.1 C(C(=O)Cl)Br PI-46514 [0,1,0,0,0,0|2,0,0]=3 32 B4R0.1 C(C(=O)N)I PI-47045 [0,1,0,0,0,0|2,0,0]=3 33 B4R0.1 C(C(=O)N)N PI-14271 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 C(C(=O)[O-])Cl PI-44622 [0,1,0,0,0,0|1,0,1]=3 35 B4R0.1 C=C(CBr)Br PI-10979 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.1 CC(=C)CBr PI-46510 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 CC(=CBr)C PI-46509 [0,1,0,0,0,0|3,0,0]=4 38 B4R0.1 CC(=O)C#C PI-15653 [0,1,0,0,0,0|2,0,0]=3 39 B4R0.1 CC(=O)CBr PI-38994 [0,1,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(=O)NBr PI-47108 [0,1,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(C#C)O PI-44141 [0,1,0,0,0,0|2,0,1]=4 42 B4R0.1 CC(CN)O PI-16659 [0,1,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(CO)O PI-16674 [0,1,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(O)=NO PI-10772 [0,1,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(O)C#C PI-43256 [0,1,0,0,0,0|2,0,1]=4 46 B4R0.1 CCB(O)O PI-25578 [0,1,0,0,0,0|2,0,0]=3 47 B4R0.1 CCC(=N)N PI-35437 [0,1,0,0,0,0|3,0,0]=4 48 B4R0.1 CCC(C)O PI-15619 [0,1,0,0,0,0|2,0,1]=4 49 B4R0.1 CN=C(N)N PI-12937 [0,1,0,0,0,0|3,0,0]=4 50 B4R0.1 COC(=N)N PI-30686 [0,1,0,0,0,0|2,0,0]=3 51 B4R0.1 C[C@@H](CO)N PI-12236 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.1 C[C@@H](N)CO PI-16472 [0,1,0,0,0,0|2,0,1]=4 53 B4R0.1 C[C@@H](O)CN PI-12234 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.1 ClCC(Cl)=C PI-15434 [0,1,0,0,0,0|3,0,0]=4 55 B4R0.1 NC(=N)CCl PI-30038 [0,1,0,0,0,0|3,0,0]=4 56 B4R0.1 NC(=O)CBr PI-10963 [0,1,0,0,0,0|2,0,0]=3 57 B4R0.1 OCC(F)F PI-21165 [0,1,0,0,0,0|2,0,1]=4 58 B4R0.1 OC[C@H](O)C PI-16673 [0,1,0,0,0,0|1,0,1]=3 59 B4R0.3 BrP(=O)(Br)Br PI-13216 [0,1,0,0,0,0|3,0,0]=4 60 B4R0.3 C[S+](=O)(C)C PI-35968 [0,1,0,0,0,0|3,0,0]=4 61 B4R0.3 NS(=O)(=O)Cl PI-36528 [0,1,0,0,0,0|2,0,1]=4 62 B4R0.3 NS(=O)(=O)N PI-12145 [0,1,0,0,0,0|2,0,1]=4 63 B4R0.3 [O-]S(=O)(=O)C PI-38597 [0,1,0,0,0,0|1,0,2]=4 64 B4R1.2 C[C@@H]1CO1 PI-10840 [0,0,0,1,0,0|2,0,1]=4 65 B4R1.2 C[C@H]1CO1 PI-10843 [0,0,0,1,0,0|2,0,1]=4 66 B1R0.1 CC PI-12250 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.1 C(=CBr)Br PI-47053 [1,1,0,0,0,0|2,0,0]=4 68 B3R0.1 C(=CCl)F PI-20089 [1,1,0,0,0,0|2,0,0]=4 69 B3R0.1 CCC=O PI-28552 [1,1,0,0,0,0|1,0,0]=3 70 B3R0.1 COCBr PI-22152 [1,1,0,0,0,0|1,0,1]=4 71 B3R0.1 CONC PI-16632 [1,1,0,0,0,0|2,0,0]=4 72 B3R0.1 C\C=N\O PI-37002 [1,1,0,0,0,0|1,0,0]=3 73 B3R0.1 NNC=O PI-38803 [1,1,0,0,0,0|1,0,0]=3 74 B3R0.1 OCCBr PI-37291 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.1 B(CCC)(O)O PI-35885 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [0,2,0,0,0,0|1,0,1]=4 77 B5R0.1 C(CBr)C(=O)Cl PI-47061 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.1 C(CCl)C(=O)Cl PI-48842 [0,2,0,0,0,0|2,0,0]=4 79 B5R0.1 CC#CC(=O)O PI-12861 [0,2,0,0,0,0|1,0,0]=3 80 B5R0.1 CC(=O)NCO PI-29791 [0,2,0,0,0,0|1,0,0]=3 81 B5R0.1 CC(CCO)O PI-15618 [0,2,0,0,0,0|1,0,1]=4 82 B5R0.1 CC=CC(=O)C PI-45740 [0,2,0,0,0,0|2,0,0]=4 83 B5R0.1 CCCC(=O)N PI-32787 [0,2,0,0,0,0|2,0,0]=4 84 B5R0.1 CCOC(=O)C PI-13192 [0,2,0,0,0,0|1,0,0]=3 85 B5R0.1 CCOC(=S)[S-] PI-47063 [0,2,0,0,0,0|0,2,0]=4 86 B5R0.1 CCSC(=O)C PI-48509 [0,2,0,0,0,0|1,1,0]=4 87 B5R0.1 CCSC(=O)Cl PI-38596 [0,2,0,0,0,0|1,1,0]=4 88 B5R0.1 CNCC(=O)O PI-45053 [0,2,0,0,0,0|1,0,0]=3 89 B5R0.1 COCC(O)C PI-12912 [0,2,0,0,0,0|1,0,1]=4 90 B5R0.1 CSCC(=O)N PI-36555 [0,2,0,0,0,0|1,1,0]=4 91 B5R0.1 C\C=C\C(=O)N PI-50568 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.1 C\C=C\C(=O)O PI-48966 [0,2,0,0,0,0|1,0,0]=3 93 B5R0.1 NCCC(=O)O PI-14317 [0,2,0,0,0,0|1,0,0]=3 94 B5R0.1 O=C(O)CCS PI-40342 [0,2,0,0,0,0|0,1,0]=3 95 B5R0.1 OC(CON)=O PI-37190 [0,2,0,0,0,0|0,0,0]=2 96 B5R0.1 OCCC(=C)Br PI-34814 [0,2,0,0,0,0|2,0,0]=4 97 B5R0.1 OCCC(=O)O PI-20855 [0,2,0,0,0,0|0,0,0]=2 98 B5R0.1 OCC[C@H](O)C PI-15617 [0,2,0,0,0,0|1,0,1]=4 99 B5R0.3 C(C(=O)NN)O PI-50333 [0,2,0,0,0,0|1,0,0]=3 100 B5R0.3 C(C(=O)NN)S PI-50542 [0,2,0,0,0,0|1,1,0]=4 101 B5R0.3 C(C(C=O)O)O PI-14881 [0,2,0,0,0,0|0,0,1]=3 102 B5R0.3 C(C(CCl)O)O PI-16668 [0,2,0,0,0,0|1,0,1]=4 103 B5R0.3 C(C(CO)N)O PI-16192 [0,2,0,0,0,0|1,0,1]=4 104 B5R0.3 C(C(CO)O)N PI-10528 [0,2,0,0,0,0|1,0,1]=4 105 B5R0.3 CCC(=C)C=O PI-44654 [0,2,0,0,0,0|2,0,0]=4 106 B5R0.3 CCC(=O)CBr PI-20588 [0,2,0,0,0,0|2,0,0]=4 107 B5R0.3 CCC(=O)NN PI-50290 [0,2,0,0,0,0|2,0,0]=4 108 B5R0.3 CNC(=O)CCl PI-39443 [0,2,0,0,0,0|2,0,0]=4 109 B5R0.3 COC(=O)C#C PI-35828 [0,2,0,0,0,0|1,0,0]=3 110 B5R0.3 NCC(O)CO PI-12972 [0,2,0,0,0,0|1,0,1]=4 111 B5R0.3 NC[C@H](O)CO PI-28266 [0,2,0,0,0,0|1,0,1]=4 112 B5R0.3 NNC(=O)NN PI-25605 [0,2,0,0,0,0|2,0,0]=4 113 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,2,0,0,0,0|0,0,1]=3 114 B5R0.3 OCC(=C)CO PI-24347 [0,2,0,0,0,0|1,0,0]=3 115 B5R0.3 OCC(CO)N PI-10243 [0,2,0,0,0,0|1,0,1]=4 116 B5R0.3 OCC(O)CO PI-12961 [0,2,0,0,0,0|0,0,2]=4 117 B5R0.3 OC[C@H](O)CCl PI-16667 [0,2,0,0,0,0|1,0,1]=4 118 B5R0.4 CCS(=O)(=O)O PI-42934 [0,2,0,0,0,0|1,0,1]=4 119 B5R0.4 NCS(=O)(=O)O PI-12154 [0,2,0,0,0,0|1,0,1]=4 120 B5R0.5 B(B(O)O)(O)O PI-41095 [0,2,0,0,0,0|1,0,1]=4 121 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [0,2,0,0,0,0|2,0,0]=4 122 B5R0.5 C(C(=O)O)(F)F PI-21386 [0,2,0,0,0,0|1,0,0]=3 123 B5R0.5 C(C(=O)O)(N)O PI-48421 [0,2,0,0,0,0|0,0,0]=2 124 B5R0.5 CC(=C)C(=O)C PI-41913 [0,2,0,0,0,0|2,0,0]=4 125 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,2,0,0,0,0|0,0,2]=4 126 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,2,0,0,0,0|0,0,2]=4 127 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,2,0,0,0,0|0,0,2]=4 128 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,2,0,0,0,0|0,0,2]=4 129 B5R0.5 CC(C(=O)C)Br PI-35002 [0,2,0,0,0,0|2,0,0]=4 130 B5R0.5 CC(C(=O)C)S PI-48502 [0,2,0,0,0,0|1,1,0]=4 131 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,2,0,0,0,0|2,0,0]=4 132 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,2,0,0,0,0|2,0,0]=4 133 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,2,0,0,0,0|2,0,0]=4 134 B5R0.5 CC(C(=O)N)C PI-28643 [0,2,0,0,0,0|2,0,0]=4 135 B5R0.5 CC(C(=O)N)N PI-16292 [0,2,0,0,0,0|2,0,0]=4 136 B5R0.5 CC(C(=O)N)N PI-42205 [0,2,0,0,0,0|2,0,0]=4 137 B5R0.5 CC(C(=O)O)Br PI-47030 [0,2,0,0,0,0|1,0,0]=3 138 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,2,0,0,0,0|1,0,0]=3 139 B5R0.5 CC(C(=O)O)F PI-40363 [0,2,0,0,0,0|1,0,0]=3 140 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,2,0,0,0,0|0,0,1]=3 141 B5R0.5 CN(C)C(=O)N PI-50675 [0,2,0,0,0,0|2,0,0]=4 142 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,2,0,0,0,0|1,0,0]=3 143 B5R0.5 C[C@H](C(=N)N)O PI-48998 [0,2,0,0,0,0|2,0,0]=4 144 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,2,0,0,0,0|0,0,0]=2 145 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [0,2,0,0,0,0|1,0,1]=4 146 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,2,0,0,0,0|1,0,0]=3 147 B5R0.5 OC(=O)C(=O)C PI-15477 [0,2,0,0,0,0|0,0,1]=3 148 B5R1.2 C1C(=O)CN1 PI-48919 [0,1,0,1,0,0|2,0,0]=4 149 B5R1.2 O=C1CCC1 PI-36783 [0,1,0,1,0,0|2,0,0]=4 150 B5R1.2 O=C1COC1 PI-38969 [0,1,0,1,0,0|1,0,0]=3 151 B5R1.2 OC1COC1 PI-38454 [0,1,0,1,0,0|1,0,1]=4 152 B5R1.3 C1C(O1)CO PI-10360 [0,1,0,1,0,0|1,0,1]=4 153 B5R1.3 OC[C@H]1CO1 PI-10359 [0,1,0,1,0,0|1,0,1]=4