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(=O)[N-]C=O PI-42986 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 C(CF)CF PI-21236 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C(CF)CI PI-41494 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 C(CN)CN PI-19035 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 C(CN)CN PI-46906 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 C(CN)CS PI-39174 [0,0,0,0,0,0|2,1,1]=4 9 B4R0.2 C(CO)CBr PI-15814 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.2 C(CO)CI PI-50488 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.2 C(CS)CS PI-11004 [0,0,0,0,0,0|2,1,1]=4 12 B4R0.2 C=CCCBr PI-20589 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.2 C=CCON PI-47075 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.2 CC#CCBr PI-20598 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.2 CC#CCO PI-15652 [0,0,0,0,0,0|1,0,3]=4 16 B4R0.2 CC=CCO PI-41583 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 CCCCCl PI-44613 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 CCCNC PI-39187 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.2 CCOC=C PI-12733 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.2 CNCC#N PI-14282 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.2 CNCC=C PI-41121 [0,0,0,0,0,0|3,0,0]=3 22 B4R0.2 COCCBr PI-21426 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.2 ClCCNC PI-41980 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.2 NCCC#C PI-36764 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.2 OCCCS PI-39546 [0,0,0,0,0,0|2,0,2]=4 26 B3R0.1 BrCC#N PI-20513 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.1 C(=CBr)Br PI-47053 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.1 C(=CCl)F PI-20089 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.1 C(CBr)Cl PI-44621 [1,0,0,0,0,0|2,0,1]=4 30 B3R0.1 C(CF)F PI-21164 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 C(CS)N PI-39848 [1,0,0,0,0,0|1,1,1]=4 32 B3R0.1 C(F)CN PI-41615 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.1 CCC=O PI-28552 [1,0,0,0,0,0|0,0,0]=1 34 B3R0.1 CCCN PI-46904 [1,0,0,0,0,0|1,0,1]=3 35 B3R0.1 CCCN PI-46913 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.1 CNCC PI-40147 [1,0,0,0,0,0|1,0,1]=3 37 B3R0.1 COCBr PI-22152 [1,0,0,0,0,0|1,0,1]=3 38 B3R0.1 CONC PI-16632 [1,0,0,0,0,0|1,0,1]=3 39 B3R0.1 C\C=N\O PI-37002 [1,0,0,0,0,0|1,0,2]=4 40 B3R0.1 NCC#C PI-38458 [1,0,0,0,0,0|2,0,1]=4 41 B3R0.1 NCC#N PI-38793 [1,0,0,0,0,0|2,0,1]=4 42 B3R0.1 NCCN PI-38127 [1,0,0,0,0,0|2,0,1]=4 43 B3R0.1 NCCN PI-38389 [1,0,0,0,0,0|2,0,1]=4 44 B3R0.1 NNC=O PI-38803 [1,0,0,0,0,0|2,0,0]=3 45 B3R0.1 OCCBr PI-37291 [1,0,0,0,0,0|1,0,2]=4 46 B3R0.1 [CH2-]CCC PI-37346 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.1 B(CCC)(O)O PI-35885 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 BrCC=C(C)C PI-12725 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.1 C(CBr)C(=O)Cl PI-47061 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 C(CCl)C(=O)Cl PI-48842 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.1 CC#CC(=O)O PI-12861 [0,1,0,0,0,0|1,0,1]=3 53 B5R0.1 CC(=C)CCBr PI-40493 [0,1,0,0,0,0|3,0,0]=4 54 B5R0.1 CC(=O)NCO PI-29791 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.1 CC(CCO)N PI-34839 [0,1,0,0,0,0|1,0,2]=4 56 B5R0.1 CC(CCO)N PI-35494 [0,1,0,0,0,0|1,0,2]=4 57 B5R0.1 CC(CCO)O PI-15618 [0,1,0,0,0,0|1,0,2]=4 58 B5R0.1 CC=CC(=O)C PI-45740 [0,1,0,0,0,0|1,0,1]=3 59 B5R0.1 CCCC(=O)N PI-32787 [0,1,0,0,0,0|1,0,0]=2 60 B5R0.1 CCCC(C)N PI-36925 [0,1,0,0,0,0|2,0,1]=4 61 B5R0.1 CCCC(C)O PI-42533 [0,1,0,0,0,0|1,0,2]=4 62 B5R0.1 CCC[C@@H](O)C PI-42532 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.1 CCOC(=O)C PI-13192 [0,1,0,0,0,0|0,0,0]=1 64 B5R0.1 CCOC(=S)[S-] PI-47063 [0,1,0,0,0,0|0,1,0]=2 65 B5R0.1 CCO[Si](C)C PI-50089 [0,1,0,0,0,0|1,1,0]=3 66 B5R0.1 CCSC(=O)C PI-48509 [0,1,0,0,0,0|0,1,0]=2 67 B5R0.1 CCSC(=O)Cl PI-38596 [0,1,0,0,0,0|0,1,0]=2 68 B5R0.1 CNCC(=O)O PI-45053 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 COCC(O)C PI-12912 [0,1,0,0,0,0|3,0,0]=4 70 B5R0.1 CSCC(=O)N PI-36555 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.1 C[C@@H](CC#N)N PI-48104 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.1 C[C@H](CCO)N PI-35493 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.1 C\C=C\C(=O)N PI-50568 [0,1,0,0,0,0|1,0,1]=3 74 B5R0.1 C\C=C\C(=O)O PI-48966 [0,1,0,0,0,0|1,0,1]=3 75 B5R0.1 NC(CCC)=N PI-37197 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 NCCC(=O)O PI-14317 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.1 O=C(O)CCS PI-40342 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.1 O=C=NC(C)C PI-11403 [0,1,0,0,0,0|1,0,1]=3 79 B5R0.1 O=S(CSC)C PI-39632 [0,1,0,0,0,0|3,0,0]=4 80 B5R0.1 OC(CON)=O PI-37190 [0,1,0,0,0,0|3,0,0]=4 81 B5R0.1 OCCC(=C)Br PI-34814 [0,1,0,0,0,0|3,0,0]=4 82 B5R0.1 OCCC(=O)O PI-20855 [0,1,0,0,0,0|2,0,0]=3 83 B5R0.1 OCC[C@H](O)C PI-15617 [0,1,0,0,0,0|1,0,2]=4 84 B5R0.2 BrCCCC=C PI-39146 [0,1,0,0,0,0|2,0,0]=3 85 B5R0.2 BrCCSCC PI-21417 [0,1,0,0,0,0|1,1,1]=4 86 B5R0.2 C(=O)NNC=O PI-50265 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.2 C(C=CCCl)Cl PI-40200 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.2 C(CBr)N=C=S PI-21421 [0,1,0,0,0,0|1,1,1]=4 89 B5R0.2 C(CC#N)CBr PI-41208 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.2 C(CCBr)CCl PI-15812 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.2 C(CCBr)CN PI-46910 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.2 C(CCCl)CO PI-15813 [0,1,0,0,0,0|1,0,2]=4 93 B5R0.2 C(CCS)CS PI-11005 [0,1,0,0,0,0|1,1,1]=4 94 B5R0.2 C=COCCO PI-12735 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.2 CCCSSC PI-48493 [0,1,0,0,0,0|2,1,0]=4 96 B5R0.2 CCNCCN PI-13215 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.2 CCO\C=C\C PI-12734 [0,1,0,0,0,0|1,0,0]=2 98 B5R0.2 CCSCCN PI-22120 [0,1,0,0,0,0|1,1,1]=4 99 B5R0.2 CCSSCC PI-45874 [0,1,0,0,0,0|1,1,1]=4 100 B5R0.2 CNCCNC PI-39066 [0,1,0,0,0,0|3,0,0]=4 101 B5R0.2 CNCCSC PI-35879 [0,1,0,0,0,0|3,0,0]=4 102 B5R0.2 COCCC=O PI-45882 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.2 COCCCCl PI-38032 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.2 COCCCO PI-10094 [0,1,0,0,0,0|1,0,2]=4 105 B5R0.2 CSCCC=O PI-45744 [0,1,0,0,0,0|1,0,0]=2 106 B5R0.2 ClCCCC#C PI-20198 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.2 ClCCCC#N PI-38313 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.2 ClCCN=C=O PI-22789 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.2 FCCCCBr PI-14440 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.2 NCCCCO PI-38298 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.2 O=CCCC=O PI-14232 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.2 OCCCC#C PI-13238 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.2 OCCCC=C PI-13243 [0,1,0,0,0,0|2,0,0]=3 114 B5R0.2 OCCCCBr PI-12762 [0,1,0,0,0,0|1,0,2]=4 115 B5R0.2 OC\C=C\CO PI-40910 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.3 C(=O)C(C=O)Br PI-39607 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.3 C(=O)C(C=O)Cl PI-39590 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.3 C(C(C=O)O)O PI-14881 [0,1,0,0,0,0|2,0,0]=3 119 B5R0.3 C=C[C@H](CO)N PI-48191 [0,1,0,0,0,0|3,0,0]=4 120 B5R0.3 CCC(=C)C=O PI-44654 [0,1,0,0,0,0|1,0,0]=2 121 B5R0.3 CCC(=O)CBr PI-20588 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.3 CCC(=O)NN PI-50290 [0,1,0,0,0,0|3,0,0]=4 123 B5R0.3 CCC(CO)N PI-45910 [0,1,0,0,0,0|1,0,2]=4 124 B5R0.3 N[C@H](CO)C=C PI-36414 [0,1,0,0,0,0|3,0,0]=4 125 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,1,0,0,0,0|2,0,0]=3 126 B5R1.1 C1C=CCN1 PI-36315 [0,0,0,1,0,0|3,0,0]=4 127 B5R1.1 C1C=CCN1 PI-40188 [0,0,0,1,0,0|3,0,0]=4 128 B5R1.1 C1COC=C1 PI-45414 [0,0,0,1,0,0|1,0,0]=2 129 B5R1.1 O1C=NC=C1 PI-37188 [0,0,0,1,0,0|1,0,2]=4 130 B5R1.1 O1N=CC=C1 PI-37186 [0,0,0,1,0,0|2,0,1]=4 131 B5R1.2 BrC1CCC1 PI-37245 [0,0,0,1,0,0|2,0,1]=4 132 B5R1.2 C1C(=O)CN1 PI-48919 [0,0,0,1,0,0|2,0,0]=3 133 B5R1.2 NC1CCC1 PI-15786 [0,0,0,1,0,0|2,0,1]=4 134 B5R1.2 O=C1CCC1 PI-36783 [0,0,0,1,0,0|1,0,0]=2 135 B5R1.2 O=C1COC1 PI-38969 [0,0,0,1,0,0|2,0,0]=3 136 B5R1.3 BrCC1CC1 PI-12057 [0,0,0,1,0,0|2,0,1]=4 137 B5R1.3 C#CC1CC1 PI-12107 [0,0,0,1,0,0|2,0,1]=4 138 B5R1.3 C1CC1CN PI-17835 [0,0,0,1,0,0|2,0,1]=4 139 B5R1.3 C1CC1NN PI-45737 [0,0,0,1,0,0|3,0,0]=4 140 B5R1.3 N#CC1CC1 PI-31230 [0,0,0,1,0,0|2,0,1]=4 141 B5R1.3 NCC1CC1 PI-12825 [0,0,0,1,0,0|2,0,1]=4 142 B5R1.3 NNC1CC1 PI-38386 [0,0,0,1,0,0|3,0,0]=4 143 B5R1.3 O=CC1CC1 PI-39221 [0,0,0,1,0,0|1,0,0]=2 144 B2R0.1 C(F)I PI-46452 [2,0,0,0,0,0|2,0,0]=4 145 B2R0.1 CNO PI-24407 [2,0,0,0,0,0|1,0,0]=3 146 B2R0.1 CON PI-12344 [2,0,0,0,0,0|1,0,0]=3 147 B2R0.1 CSC PI-50002 [2,0,0,0,0,0|0,1,1]=4 148 B2R0.1 NC=N PI-38823 [2,0,0,0,0,0|2,0,0]=4 149 B2R0.1 O=[Os]=O PI-41580 [2,0,0,0,0,0|1,0,1]=4 150 B2R0.1 ON=O PI-38467 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 C#CC(=O)N PI-48352 [1,1,0,0,0,0|0,0,2]=4 152 B4R0.1 C(=O)(N)NO PI-15345 [1,1,0,0,0,0|2,0,0]=4 153 B4R0.1 C(C(=N)N)N PI-44870 [1,1,0,0,0,0|2,0,0]=4 154 B4R0.1 C(C(=O)Cl)Br PI-46514 [1,1,0,0,0,0|1,0,0]=3 155 B4R0.1 C(C(=O)N)I PI-47045 [1,1,0,0,0,0|1,0,0]=3 156 B4R0.1 C(C(=O)N)N PI-14271 [1,1,0,0,0,0|1,0,0]=3 157 B4R0.1 C(C(=O)[O-])Cl PI-44622 [1,1,0,0,0,0|1,0,0]=3 158 B4R0.1 C=C(CBr)Br PI-10979 [1,1,0,0,0,0|2,0,0]=4 159 B4R0.1 CC(=C)CBr PI-46510 [1,1,0,0,0,0|2,0,0]=4 160 B4R0.1 CC(=CBr)C PI-46509 [1,1,0,0,0,0|1,0,1]=4 161 B4R0.1 CC(=O)C#C PI-15653 [1,1,0,0,0,0|0,0,2]=4 162 B4R0.1 CC(=O)CBr PI-38994 [1,1,0,0,0,0|1,0,0]=3 163 B4R0.1 CC(=O)NBr PI-47108 [1,1,0,0,0,0|2,0,0]=4 164 B4R0.1 CC(C#C)O PI-44141 [1,1,0,0,0,0|1,0,1]=4 165 B4R0.1 CC(C)CN PI-46903 [1,1,0,0,0,0|1,0,1]=4 166 B4R0.1 CC(C)NC PI-41120 [1,1,0,0,0,0|1,0,1]=4 167 B4R0.1 CC(CN)O PI-16659 [1,1,0,0,0,0|1,0,1]=4 168 B4R0.1 CC(CO)O PI-16674 [1,1,0,0,0,0|0,0,2]=4 169 B4R0.1 CC(O)C#C PI-43256 [1,1,0,0,0,0|1,0,1]=4 170 B4R0.1 CCB(O)O PI-25578 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.1 CCC(=N)N PI-35437 [1,1,0,0,0,0|1,0,0]=3 172 B4R0.1 CCC(C)O PI-15619 [1,1,0,0,0,0|0,0,2]=4 173 B4R0.1 CN=C(N)N PI-12937 [1,1,0,0,0,0|2,0,0]=4 174 B4R0.1 COC(=N)N PI-30686 [1,1,0,0,0,0|1,0,0]=3 175 B4R0.1 C[C@@H](CO)N PI-12236 [1,1,0,0,0,0|0,0,2]=4 176 B4R0.1 C[C@@H](N)CO PI-16472 [1,1,0,0,0,0|0,0,2]=4 177 B4R0.1 C[C@@H](O)CN PI-12234 [1,1,0,0,0,0|1,0,1]=4 178 B4R0.1 ClCC(Cl)=C PI-15434 [1,1,0,0,0,0|2,0,0]=4 179 B4R0.1 NC(=N)CCl PI-30038 [1,1,0,0,0,0|2,0,0]=4 180 B4R0.1 NC(=O)CBr PI-10963 [1,1,0,0,0,0|1,0,0]=3 181 B4R0.1 NC[C@@H](N)C PI-39121 [1,1,0,0,0,0|1,0,1]=4 182 B4R0.1 NNC(C)C PI-37110 [1,1,0,0,0,0|2,0,0]=4 183 B4R0.1 OC[C@H](O)C PI-16673 [1,1,0,0,0,0|0,0,2]=4 184 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,2,0,0,0,0|2,0,0]=4 185 B6R0.1 C(CS)C(=O)NN PI-50543 [0,2,0,0,0,0|2,0,0]=4 186 B6R0.1 CC#CC(=O)OC PI-48956 [0,2,0,0,0,0|1,0,1]=4 187 B6R0.1 CC(CC=O)SC PI-48524 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.1 CCCC(=O)NN PI-23070 [0,2,0,0,0,0|1,0,0]=3 189 B6R0.1 CCCC(=O)SC PI-48512 [0,2,0,0,0,0|1,0,0]=3 190 B6R0.1 CCCC(C=C)O PI-15324 [0,2,0,0,0,0|2,0,0]=4 191 B6R0.1 CCOC(=O)C#C PI-35147 [0,2,0,0,0,0|0,0,0]=2 192 B6R0.1 CCOC(=O)CBr PI-15815 [0,2,0,0,0,0|0,0,0]=2 193 B6R0.1 CCOC(=O)NC PI-50343 [0,2,0,0,0,0|0,0,0]=2 194 B6R0.1 CNCC(=O)OC PI-45586 [0,2,0,0,0,0|2,0,0]=4 195 B6R0.1 COC(=O)CCN PI-31148 [0,2,0,0,0,0|2,0,0]=4 196 B6R0.1 COCC(=O)NN PI-50354 [0,2,0,0,0,0|2,0,0]=4 197 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,2,0,0,0,0|0,0,1]=3 198 B6R0.1 NNC(OCC)=O PI-28515 [0,2,0,0,0,0|0,0,0]=2 199 B6R0.1 O=C(OC)CCO PI-41038 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,2,0,0,0,0|1,0,1]=4 201 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,2,0,0,0,0|1,0,1]=4 202 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,2,0,0,0,0|0,1,0]=3 204 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,2,0,0,0,0|0,0,0]=2 205 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,2,0,0,0,0|1,0,0]=3 206 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,2,0,0,0,0|0,1,0]=3 207 B6R0.2 CC(CC(=O)O)N PI-35438 [0,2,0,0,0,0|1,0,0]=3 208 B6R0.2 CC(CC(=O)O)N PI-35481 [0,2,0,0,0,0|1,0,0]=3 209 B6R0.2 CC(CC(=O)O)N PI-43821 [0,2,0,0,0,0|1,0,0]=3 210 B6R0.2 CC(CC(=O)O)O PI-47070 [0,2,0,0,0,0|1,0,0]=3 211 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,2,0,0,0,0|0,0,0]=2 212 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,2,0,0,0,0|0,0,0]=2 213 B6R0.2 CN(C)CC(=O)O PI-15416 [0,2,0,0,0,0|2,0,0]=4 214 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,2,0,0,0,0|1,0,0]=3 215 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,2,0,0,0,0|1,0,0]=3 216 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,2,0,0,0,0|2,0,0]=4 217 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,2,0,0,0,0|1,0,1]=4 218 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [0,2,0,0,0,0|2,0,0]=4 219 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,2,0,0,0,0|2,0,0]=4 223 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,2,0,0,0,0|2,0,0]=4 224 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,2,0,0,0,0|2,0,0]=4 225 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,2,0,0,0,0|2,0,0]=4 226 B6R0.3 CC(C(=O)O)NC PI-27549 [0,2,0,0,0,0|2,0,0]=4 227 B6R0.3 CC(C(=O)O)NC PI-27557 [0,2,0,0,0,0|2,0,0]=4 228 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.3 CCC(C(=O)C)S PI-48501 [0,2,0,0,0,0|1,0,0]=3 230 B6R0.3 CCC(C(=O)N)N PI-10559 [0,2,0,0,0,0|1,0,0]=3 231 B6R0.3 CCC(C(=O)O)N PI-28320 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.3 CCC(C(=O)O)N PI-43844 [0,2,0,0,0,0|1,0,0]=3 233 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,2,0,0,0,0|1,0,0]=3 234 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,2,0,0,0,0|1,0,0]=3 236 B6R0.3 CN(C(=O)Cl)CC PI-38703 [0,2,0,0,0,0|1,0,0]=3 237 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.3 NC(C(=O)O)CN PI-10165 [0,2,0,0,0,0|2,0,0]=4 239 B6R0.3 NC(C(=O)O)CN PI-35820 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.3 NC(CO)C(O)=O PI-35846 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.3 NC(CS)C(=O)O PI-15748 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.3 NCC(C(=O)O)O PI-38395 [0,2,0,0,0,0|2,0,0]=4 243 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,2,0,0,0,0|2,0,0]=4 244 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,2,0,0,0,0|2,0,0]=4 245 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,2,0,0,0,0|2,0,0]=4 246 B6R0.3 O=C(O)C(C)CN PI-42145 [0,2,0,0,0,0|2,0,0]=4 247 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,2,0,0,0,0|2,0,0]=4 249 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,2,0,0,0,0|1,0,0]=3 250 B6R0.4 BrC\C=C\C(=O)O PI-36796 [0,2,0,0,0,0|1,0,1]=4 251 B6R0.4 C#CCCC(=O)O PI-30018 [0,2,0,0,0,0|1,0,1]=4 252 B6R0.4 C(C(=O)O)NC=O PI-33231 [0,2,0,0,0,0|1,0,1]=4 253 B6R0.4 C(CC(=O)O)C#N PI-35487 [0,2,0,0,0,0|1,0,1]=4 254 B6R0.4 C(CO[N+](=O)[O-])N PI-50153 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.4 CC(NCCS)=O PI-37034 [0,2,0,0,0,0|1,0,0]=3 256 B6R0.4 CC=CCC(=O)O PI-47130 [0,2,0,0,0,0|1,0,1]=4 257 B6R0.4 CC=NNC(=O)N PI-26775 [0,2,0,0,0,0|1,0,1]=4 258 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,2,0,0,0,0|1,0,0]=3 259 B6R0.4 CCCNC(=O)N PI-19783 [0,2,0,0,0,0|1,0,0]=3 260 B6R0.4 CCNCC(=O)O PI-43211 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.4 CSCCC(=O)O PI-31992 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.4 ClCCCC(=O)C PI-39487 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.4 NC(=O)NCC#C PI-38748 [0,2,0,0,0,0|1,0,1]=4 264 B6R0.4 NCCCC(=O)O PI-35917 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.4 O=C(O)CCCBr PI-40017 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.4 O=C(O)CCCCl PI-41227 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.4 O=C\C=C/N(C)C PI-12739 [0,2,0,0,0,0|1,0,1]=4 268 B6R0.4 OCCCC(=O)C PI-13555 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.4 [O-]C(=O)CNCO PI-36238 [0,2,0,0,0,0|2,0,0]=4 270 B6R0.5 CCCS(=O)(=O)Cl PI-42938 [0,2,0,0,0,0|2,0,0]=4 271 B6R0.5 CCOC(C)(C)C PI-39331 [0,2,0,0,0,0|1,0,1]=4 272 B6R0.5 CCO[Si](C)(C)C PI-45123 [0,2,0,0,0,0|1,1,0]=4 273 B6R0.5 C[Si](C)(C)OC=C PI-45112 [0,2,0,0,0,0|1,1,0]=4 274 B6R0.5 O=CCC(C)(C)C PI-36862 [0,2,0,0,0,0|1,0,0]=3 275 B6R0.6 BrCCCCC=C PI-39147 [0,2,0,0,0,0|2,0,0]=4 276 B6R0.6 BrCCOCCBr PI-13583 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.6 C(COCCN)N PI-47125 [0,2,0,0,0,0|1,0,1]=4 278 B6R0.6 CCCOCCCl PI-47054 [0,2,0,0,0,0|1,0,1]=4 279 B6R0.6 CCC\C=C\C=O PI-40157 [0,2,0,0,0,0|1,0,0]=3 280 B6R0.6 CCOC=CC#N PI-37795 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.6 COCCOCCl PI-12842 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.6 ClCCCCC=O PI-34745 [0,2,0,0,0,0|1,0,0]=3 283 B6R0.8 CCS(=O)(=O)C=C PI-24192 [0,2,0,0,0,0|1,1,0]=4 284 B6R0.9 CCN(CC)N=O PI-47046 [0,2,0,0,0,0|2,0,0]=4 285 B4R1.1 C1CNC1 PI-35164 [1,0,0,1,0,0|1,0,1]=4 286 B4R1.1 C1CNC1 PI-39009 [1,0,0,1,0,0|1,0,1]=4 287 B4R1.2 C1CC1Br PI-20927 [1,0,0,1,0,0|1,0,1]=4 288 B4R1.2 C[C@@H]1CO1 PI-10840 [1,0,0,1,0,0|0,0,1]=3 289 B4R1.2 C[C@H]1CO1 PI-10843 [1,0,0,1,0,0|0,0,1]=3 290 B4R1.2 NC1CC1 PI-10868 [1,0,0,1,0,0|1,0,1]=4 291 B6R1.2 C1C=CCC1N PI-35476 [0,1,0,1,0,0|2,0,0]=4 292 B6R1.2 C1COC(=O)N1 PI-10783 [0,1,0,1,0,0|0,0,0]=2 293 B6R1.2 C1COCC1Cl PI-42699 [0,1,0,1,0,0|1,0,1]=4 294 B6R1.2 C1COCC1N PI-42643 [0,1,0,1,0,0|1,0,1]=4 295 B6R1.2 C1COCC1N PI-44061 [0,1,0,1,0,0|1,0,1]=4 296 B6R1.2 C1COCC1O PI-42698 [0,1,0,1,0,0|0,0,2]=4 297 B6R1.2 C1CSC(=S)N1 PI-33314 [0,1,0,1,0,0|0,2,0]=4 298 B6R1.2 C1CSCC1=O PI-11167 [0,1,0,1,0,0|0,1,0]=3 299 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,1,0,1,0,0|0,0,1]=3 300 B6R1.2 CC1=COC=C1 PI-41011 [0,1,0,1,0,0|1,0,1]=4 301 B6R1.2 IC1COCC1 PI-42701 [0,1,0,1,0,0|1,0,1]=4 302 B6R1.2 NC1=NCCS1 PI-15432 [0,1,0,1,0,0|1,1,0]=4 303 B6R1.2 NC1COCC1 PI-42705 [0,1,0,1,0,0|1,0,1]=4 304 B6R1.2 O=C1CC=CC1 PI-38266 [0,1,0,1,0,0|1,0,1]=4 305 B6R1.2 O=C1CCOC1 PI-42678 [0,1,0,1,0,0|0,0,0]=2 306 B6R1.2 O=C1NCNC1 PI-35001 [0,1,0,1,0,0|1,0,0]=3 307 B6R1.2 O=c1occo1 PI-15331 [0,1,0,1,0,0|0,0,2]=4 308 B6R1.2 OC1CC=CC1 PI-38265 [0,1,0,1,0,0|2,0,0]=4 309 B6R1.2 OC1COCC1 PI-20870 [0,1,0,1,0,0|0,0,2]=4 310 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,1,0,1,0,0|0,0,2]=4 311 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,1,0,1,0,0|0,0,2]=4 312 B6R1.5 C1C(CC1=O)N PI-48953 [0,1,0,1,0,0|1,0,0]=3 313 B6R1.11 C1CC1C(=N)N PI-13557 [0,1,0,1,0,0|2,0,0]=4 314 B6R1.11 C1CC1C(=O)Cl PI-32773 [0,1,0,1,0,0|1,0,0]=3 315 B6R1.11 C1CC1C(=O)N PI-30796 [0,1,0,1,0,0|1,0,0]=3 316 B6R1.11 CC(=O)C1CC1 PI-12875 [0,1,0,1,0,0|1,0,0]=3 317 B6R1.1 C1COCC=C1 PI-40555 [0,1,0,1,0,0|1,0,0]=3 318 B6R1.1 C1COCCN1 PI-42536 [0,1,0,1,0,0|1,0,1]=4 319 B6R1.1 C1CSCCO1 PI-40740 [0,1,0,1,0,0|0,1,1]=4 320 B6R1.6 C1C(CO1)C=O PI-48343 [0,1,0,1,0,0|1,0,0]=3 321 B6R1.6 O=CC1CCC1 PI-36863 [0,1,0,1,0,0|1,0,0]=3