0 B4R0.2 C#CCCCl PI-38919 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCCN PI-40906 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C#CCCO PI-16501 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C(CF)CF PI-21236 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C(CF)CI PI-41494 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C(CN)CN PI-19035 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 C(CN)CN PI-46906 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 C(CN)CS PI-39174 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.2 C(CO)CBr PI-15814 [0,0,0,0,0,0|2,1,1]=4 9 B4R0.2 C(CO)CI PI-50488 [0,0,0,0,0,0|2,1,1]=4 10 B4R0.2 C(CS)CS PI-11004 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.2 C=CCCBr PI-20589 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.2 CC#CCBr PI-20598 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.2 CC#CCO PI-15652 [0,0,0,0,0,0|1,1,2]=4 14 B4R0.2 CC=CCO PI-41583 [0,0,0,0,0,0|1,1,2]=4 15 B4R0.2 CCCCCl PI-44613 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.2 CCCNC PI-39187 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 CCOC=C PI-12733 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 CNCC#N PI-14282 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 CNCC=C PI-41121 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.2 COCCBr PI-21426 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.2 ClCCNC PI-41980 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.2 NCCC#C PI-36764 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.2 OCCCS PI-39546 [0,0,0,0,0,0|2,0,2]=4 24 B3R0.1 BrCC#N PI-20513 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 C(CBr)Cl PI-44621 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.1 C(CF)F PI-21164 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.1 C(CS)N PI-39848 [1,0,0,0,0,0|1,0,2]=4 28 B3R0.1 C(F)CN PI-41615 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.1 CCC=O PI-28552 [1,0,0,0,0,0|0,1,1]=3 30 B3R0.1 CCCN PI-46904 [1,0,0,0,0,0|1,0,1]=3 31 B3R0.1 CCCN PI-46913 [1,0,0,0,0,0|1,0,1]=3 32 B3R0.1 CNCC PI-40147 [1,0,0,0,0,0|0,0,2]=3 33 B3R0.1 COCBr PI-22152 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.1 CONC PI-16632 [1,0,0,0,0,0|1,0,2]=4 35 B3R0.1 C\C=N\O PI-37002 [1,0,0,0,0,0|0,1,1]=3 36 B3R0.1 NCC#C PI-38458 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.1 NCC#N PI-38793 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.1 NCCN PI-38127 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 NCCN PI-38389 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.1 OCCBr PI-37291 [1,0,0,0,0,0|1,1,1]=4 41 B3R0.1 [CH2-]CCC PI-37346 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.1 B(CCC)(O)O PI-35885 [0,1,0,0,0,0|2,1,0]=4 43 B5R0.1 CC(CCO)N PI-34839 [0,1,0,0,0,0|1,1,1]=4 44 B5R0.1 CC(CCO)N PI-35494 [0,1,0,0,0,0|1,1,1]=4 45 B5R0.1 CC(CCO)O PI-15618 [0,1,0,0,0,0|1,1,1]=4 46 B5R0.1 CCCC(=O)N PI-32787 [0,1,0,0,0,0|1,1,1]=4 47 B5R0.1 CCCC(C)N PI-36925 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 CCCC(C)O PI-42533 [0,1,0,0,0,0|1,1,1]=4 49 B5R0.1 CCC[C@@H](O)C PI-42532 [0,1,0,0,0,0|1,1,1]=4 50 B5R0.1 CCOC(=O)C PI-13192 [0,1,0,0,0,0|1,1,1]=4 51 B5R0.1 CCOC(=S)[S-] PI-47063 [0,1,0,0,0,0|1,0,1]=3 52 B5R0.1 CCO[Si](C)C PI-50089 [0,1,0,0,0,0|2,1,0]=4 53 B5R0.1 CCSC(=O)C PI-48509 [0,1,0,0,0,0|1,1,1]=4 54 B5R0.1 CCSC(=O)Cl PI-38596 [0,1,0,0,0,0|1,1,1]=4 55 B5R0.1 COCC(O)C PI-12912 [0,1,0,0,0,0|3,0,0]=4 56 B5R0.1 C[C@@H](CC#N)N PI-48104 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.1 C[C@H](CCO)N PI-35493 [0,1,0,0,0,0|1,1,1]=4 58 B5R0.1 NC(CCC)=N PI-37197 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.1 O=C=NC(C)C PI-11403 [0,1,0,0,0,0|0,1,0]=2 60 B5R0.1 OCC[C@H](O)C PI-15617 [0,1,0,0,0,0|1,1,1]=4 61 B5R0.2 BrCCCC=C PI-39146 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.2 BrCCSCC PI-21417 [0,1,0,0,0,0|2,0,1]=4 63 B5R0.2 C(CBr)N=C=S PI-21421 [0,1,0,0,0,0|0,0,0]=1 64 B5R0.2 C(CC#N)CBr PI-41208 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.2 C(CCBr)CCl PI-15812 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.2 C(CCBr)CN PI-46910 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.2 C(CCCl)CO PI-15813 [0,1,0,0,0,0|1,1,1]=4 68 B5R0.2 C(CCS)CS PI-11005 [0,1,0,0,0,0|1,0,2]=4 69 B5R0.2 C=COCCO PI-12735 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.2 CCCSSC PI-48493 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.2 CCNCCN PI-13215 [0,1,0,0,0,0|1,0,2]=4 72 B5R0.2 CCO\C=C\C PI-12734 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.2 CCSCCN PI-22120 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.2 CCSSCC PI-45874 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.2 CNCCNC PI-39066 [0,1,0,0,0,0|3,0,0]=4 76 B5R0.2 CNCCSC PI-35879 [0,1,0,0,0,0|3,0,0]=4 77 B5R0.2 COCCC=O PI-45882 [0,1,0,0,0,0|1,1,1]=4 78 B5R0.2 COCCCCl PI-38032 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.2 COCCCO PI-10094 [0,1,0,0,0,0|1,1,1]=4 80 B5R0.2 CSCCC=O PI-45744 [0,1,0,0,0,0|1,1,1]=4 81 B5R0.2 ClCCCC#C PI-20198 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.2 ClCCCC#N PI-38313 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.2 ClCCN=C=O PI-22789 [0,1,0,0,0,0|0,1,0]=2 84 B5R0.2 FCCCCBr PI-14440 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.2 NCCCCO PI-38298 [0,1,0,0,0,0|1,1,1]=4 86 B5R0.2 OCCCC#C PI-13238 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.2 OCCCC=C PI-13243 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.2 OCCCCBr PI-12762 [0,1,0,0,0,0|1,1,1]=4 89 B5R0.3 CCC(=C)C=O PI-44654 [0,1,0,0,0,0|1,1,1]=4 90 B5R0.3 CCC(=O)CBr PI-20588 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.3 CCC(=O)NN PI-50290 [0,1,0,0,0,0|3,0,0]=4 92 B5R0.3 CCC(CO)N PI-45910 [0,1,0,0,0,0|1,1,1]=4 93 B5R1.1 C1COC=C1 PI-45414 [0,0,0,1,0,0|1,1,1]=4 94 B5R1.2 BrC1CCC1 PI-37245 [0,0,0,1,0,0|2,0,1]=4 95 B5R1.2 NC1CCC1 PI-15786 [0,0,0,1,0,0|2,0,1]=4 96 B5R1.2 O=C1CCC1 PI-36783 [0,0,0,1,0,0|1,1,1]=4 97 B5R1.3 BrCC1CC1 PI-12057 [0,0,0,1,0,0|2,0,1]=4 98 B5R1.3 C#CC1CC1 PI-12107 [0,0,0,1,0,0|2,0,1]=4 99 B5R1.3 C1CC1CN PI-17835 [0,0,0,1,0,0|2,0,1]=4 100 B5R1.3 C1CC1NN PI-45737 [0,0,0,1,0,0|3,0,0]=4 101 B5R1.3 N#CC1CC1 PI-31230 [0,0,0,1,0,0|2,0,1]=4 102 B5R1.3 NCC1CC1 PI-12825 [0,0,0,1,0,0|2,0,1]=4 103 B5R1.3 NNC1CC1 PI-38386 [0,0,0,1,0,0|3,0,0]=4 104 B5R1.3 O=CC1CC1 PI-39221 [0,0,0,1,0,0|1,1,1]=4 105 B2R0.1 C(F)I PI-46452 [2,0,0,0,0,0|2,0,0]=4 106 B2R0.1 CNO PI-24407 [2,0,0,0,0,0|0,1,1]=4 107 B2R0.1 CON PI-12344 [2,0,0,0,0,0|1,0,1]=4 108 B2R0.1 CSC PI-50002 [2,0,0,0,0,0|1,0,1]=4 109 B2R0.1 NC=N PI-38823 [2,0,0,0,0,0|1,0,1]=4 110 B2R0.1 ON=O PI-38467 [2,0,0,0,0,0|1,1,0]=4 111 B2R0.1 S=[W]=S PI-48964 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 CC(C#C)O PI-44141 [1,1,0,0,0,0|1,0,1]=4 113 B4R0.1 CC(C)CN PI-46903 [1,1,0,0,0,0|1,0,1]=4 114 B4R0.1 CC(C)NC PI-41120 [1,1,0,0,0,0|0,0,2]=4 115 B4R0.1 CC(CN)O PI-16659 [1,1,0,0,0,0|1,0,1]=4 116 B4R0.1 CC(CO)O PI-16674 [1,1,0,0,0,0|0,1,1]=4 117 B4R0.1 CC(O)=NO PI-10772 [1,1,0,0,0,0|0,1,1]=4 118 B4R0.1 CC(O)C#C PI-43256 [1,1,0,0,0,0|1,0,1]=4 119 B4R0.1 CCB(O)O PI-25578 [1,1,0,0,0,0|1,1,0]=4 120 B4R0.1 CCC(=N)N PI-35437 [1,1,0,0,0,0|1,0,1]=4 121 B4R0.1 CCC(C)O PI-15619 [1,1,0,0,0,0|0,1,1]=4 122 B4R0.1 CN=C(N)N PI-12937 [1,1,0,0,0,0|1,0,1]=4 123 B4R0.1 C[C@@H](CO)N PI-12236 [1,1,0,0,0,0|0,1,1]=4 124 B4R0.1 C[C@@H](N)CO PI-16472 [1,1,0,0,0,0|0,1,1]=4 125 B4R0.1 C[C@@H](O)CN PI-12234 [1,1,0,0,0,0|1,0,1]=4 126 B4R0.1 NC[C@@H](N)C PI-39121 [1,1,0,0,0,0|1,0,1]=4 127 B4R0.1 NNC(C)C PI-37110 [1,1,0,0,0,0|1,0,1]=4 128 B4R0.1 OC[C@H](O)C PI-16673 [1,1,0,0,0,0|0,1,1]=4 129 B6R0.1 CCC(C)N=C=S PI-22956 [0,2,0,0,0,0|0,0,0]=2 130 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,2,0,0,0,0|1,0,1]=4 131 B6R0.5 CC(C)(C)N=C=S PI-22958 [0,2,0,0,0,0|0,0,0]=2 132 B6R0.6 C(CN=C=S)CBr PI-22582 [0,2,0,0,0,0|0,0,0]=2 133 B6R0.6 CCCCN=C=S PI-22957 [0,2,0,0,0,0|0,0,0]=2 134 B4R1.1 C1CNC1 PI-35164 [1,0,0,1,0,0|0,0,2]=4 135 B4R1.1 C1CNC1 PI-39009 [1,0,0,1,0,0|0,0,2]=4 136 B4R1.2 C1CC1Br PI-20927 [1,0,0,1,0,0|1,0,1]=4 137 B4R1.2 C[C@@H]1CO1 PI-10840 [1,0,0,1,0,0|0,1,1]=4 138 B4R1.2 C[C@H]1CO1 PI-10843 [1,0,0,1,0,0|0,1,1]=4 139 B4R1.2 NC1CC1 PI-10868 [1,0,0,1,0,0|1,0,1]=4 140 B6R1.2 C1CSC(=S)N1 PI-33314 [0,1,0,1,0,0|0,0,2]=4 141 B6R1.2 NC1=NCCS1 PI-15432 [0,1,0,1,0,0|0,0,2]=4