0 B5R0.3 C(C(=O)NN)O PI-50333 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C(C(=O)NN)S PI-50542 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=CC(C=C)O PI-44995 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.3 C=C[C@H](CO)N PI-48191 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CCC(=C)C=O PI-44654 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CCC(=O)CBr PI-20588 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CCC(=O)NN PI-50290 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CNC(=O)CCl PI-39443 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 CNC(=S)NN PI-30834 [0,0,0,0,0,0|3,1,0]=4 9 B5R0.3 COC(=O)C#C PI-35828 [0,0,0,0,0,0|0,0,2]=2 10 B5R0.3 NNC(=O)NN PI-25605 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.3 N[C@H](CO)C=C PI-36414 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C#CC(=O)N PI-48352 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 C(=C(F)Cl)Cl PI-21037 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 C(=C(F)Cl)F PI-20042 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 C(=O)(N)NO PI-15345 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 C(C(=O)Cl)Br PI-46514 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C(C(=O)N)I PI-47045 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C(C(=O)N)N PI-14271 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C(C(=O)[O-])Cl PI-44622 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 C=C(CBr)Br PI-10979 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CC(=O)C#C PI-15653 [1,0,0,0,0,0|0,0,2]=3 24 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(=O)NBr PI-47108 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(O)=NO PI-10772 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CCC(=N)N PI-35437 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 CN=C(N)N PI-12937 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 COC(=N)N PI-30686 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 ClCC(Cl)=C PI-15434 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 NC(=O)CBr PI-10963 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 C=CCCBr PI-20589 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 C=CCON PI-47075 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.2 COCCBr PI-21426 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.1 C(CS)C(=O)NN PI-50543 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.1 CC#CC(=O)OC PI-48956 [0,1,0,0,0,0|0,0,2]=3 41 B6R0.1 CCCC(=O)NN PI-23070 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.1 CCCC(=O)SC PI-48512 [0,1,0,0,0,0|0,1,2]=4 43 B6R0.1 CCCC(C=C)O PI-15324 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.1 CCOC(=O)C#C PI-35147 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.1 CCOC(=O)CBr PI-15815 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.1 CCOC(=O)NC PI-50343 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.1 CNCC(=O)OC PI-45586 [0,1,0,0,0,0|0,0,2]=3 48 B6R0.1 COC(=O)CCN PI-31148 [0,1,0,0,0,0|0,0,2]=3 49 B6R0.1 COCC(=N)NO PI-36392 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 COCC(=O)NN PI-50354 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.1 NNC(OCC)=O PI-28515 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.1 O=C(OC)CCO PI-41038 [0,1,0,0,0,0|0,0,2]=3 54 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.3 C(=O)(C(=O)NN)N PI-44557 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.3 CC(C(=O)OC)Cl PI-13042 [0,1,0,0,0,0|0,0,2]=3 57 B6R0.3 CC(C(=O)OC)N PI-31127 [0,1,0,0,0,0|0,0,2]=3 58 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.3 CN(C)C(=O)CBr PI-40959 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.3 COC(=O)C(=C)F PI-39526 [0,1,0,0,0,0|0,0,0]=1 64 B6R0.3 COC(=O)C(N)C PI-10065 [0,1,0,0,0,0|0,0,2]=3 65 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,1,0,0,0,0|0,0,2]=3 66 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,1,0,0,0,0|0,0,2]=3 67 B6R0.3 NCC(=O)N(C)C PI-34626 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.8 CCS(=O)(=O)C=C PI-24192 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.9 COC(C=C)OC PI-42093 [0,1,0,0,0,0|0,0,2]=3 71 B6R1.2 Brc1ccco1 PI-14449 [0,0,0,1,0,0|1,0,1]=3 72 B6R1.2 Brc1cccs1 PI-11144 [0,0,0,1,0,0|1,1,1]=4 73 B6R1.2 Brc1cscc1 PI-10760 [0,0,0,1,0,0|3,0,0]=4 74 B6R1.2 C1=C(NN=C1)N PI-10514 [0,0,0,1,0,0|3,0,0]=4 75 B6R1.2 C1=C(ON=C1)N PI-34865 [0,0,0,1,0,0|2,0,0]=3 76 B6R1.2 C1=CNC=C1F PI-49258 [0,0,0,1,0,0|3,0,0]=4 77 B6R1.2 C1=CSC=C1F PI-49323 [0,0,0,1,0,0|3,0,0]=4 78 B6R1.2 C1COC(=O)N1 PI-10783 [0,0,0,1,0,0|1,0,1]=3 79 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,1,0,0|0,0,0]=1 81 B6R1.2 CC1=CC=CS1 PI-11146 [0,0,0,1,0,0|1,1,1]=4 82 B6R1.2 CC1=COC=C1 PI-41011 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.2 Cc1cc[nH]n1 PI-31344 [0,0,0,1,0,0|3,0,0]=4 84 B6R1.2 ClC1=CSC=C1 PI-11160 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.2 Ic1cc[nH]n1 PI-39060 [0,0,0,1,0,0|3,0,0]=4 86 B6R1.2 Ic1cccs1 PI-11145 [0,0,0,1,0,0|1,1,1]=4 87 B6R1.2 NC1=NC=CO1 PI-40002 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 NC1=NOC=C1 PI-13009 [0,0,0,1,0,0|3,0,0]=4 89 B6R1.2 O=C1CC=CC1 PI-38266 [0,0,0,1,0,0|1,0,2]=4 90 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.2 O=C1NCNC1 PI-35001 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.2 O=c1occo1 PI-15331 [0,0,0,1,0,0|1,0,1]=3 93 B6R1.2 Sc1cccs1 PI-27908 [0,0,0,1,0,0|0,2,1]=4 94 B6R1.7 CC1(CO1)C=C PI-48078 [0,0,0,1,0,0|1,0,1]=3 95 B3R0.1 C(=CBr)Br PI-47053 [2,0,0,0,0,0|2,0,0]=4 96 B3R0.1 C(=CCl)F PI-20089 [2,0,0,0,0,0|2,0,0]=4 97 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|1,0,0]=3 98 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|1,0,1]=4 99 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|1,0,1]=4 100 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|1,0,1]=4 101 B3R0.1 NNC=O PI-38803 [2,0,0,0,0,0|2,0,0]=4 102 B3R0.2 C=C(F)Br PI-14442 [2,0,0,0,0,0|2,0,0]=4 103 B3R0.2 CC(=O)O PI-11632 [2,0,0,0,0,0|0,0,1]=3 104 B3R0.2 CC(=O)O PI-38547 [2,0,0,0,0,0|0,0,1]=3 105 B3R0.2 CC(=O)[O-] PI-20290 [2,0,0,0,0,0|1,0,0]=3 106 B3R0.2 CC(=S)N PI-16528 [2,0,0,0,0,0|1,1,0]=4 107 B3R0.2 CC([O-])=S PI-36444 [2,0,0,0,0,0|1,0,1]=4 108 B3R0.2 [O-]C(=O)C PI-37083 [2,0,0,0,0,0|1,0,0]=3 109 B3R0.2 [O-]C(=O)C PI-41421 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.1 BrCC=C(C)C PI-12725 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,1,0,0,0,0|2,0,0]=4 113 B5R0.1 CC#CC(=O)O PI-12861 [1,1,0,0,0,0|0,0,2]=4 114 B5R0.1 CC(=C)CCBr PI-40493 [1,1,0,0,0,0|2,0,0]=4 115 B5R0.1 CC(=O)NCO PI-29791 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.1 CC=CC(=O)C PI-45740 [1,1,0,0,0,0|0,0,0]=2 117 B5R0.1 CCCC(=O)N PI-32787 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.1 CCOC(=O)C PI-13192 [1,1,0,0,0,0|0,0,1]=3 119 B5R0.1 CCOC(=S)[S-] PI-47063 [1,1,0,0,0,0|1,1,0]=4 120 B5R0.1 CCSC(=O)C PI-48509 [1,1,0,0,0,0|0,0,2]=4 121 B5R0.1 CCSC(=O)Cl PI-38596 [1,1,0,0,0,0|1,1,0]=4 122 B5R0.1 CNCC(=O)O PI-45053 [1,1,0,0,0,0|0,0,2]=4 123 B5R0.1 CSCC(=O)N PI-36555 [1,1,0,0,0,0|1,1,0]=4 124 B5R0.1 C\C=C\C(=O)N PI-50568 [1,1,0,0,0,0|1,0,0]=3 125 B5R0.1 C\C=C\C(=O)O PI-48966 [1,1,0,0,0,0|0,0,0]=2 126 B5R0.1 NCCC(=O)O PI-14317 [1,1,0,0,0,0|0,0,2]=4 127 B5R0.1 O=C(O)CCS PI-40342 [1,1,0,0,0,0|0,0,2]=4 128 B5R0.1 OC(CON)=O PI-37190 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.1 OCCC(=C)Br PI-34814 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.1 OCCC(=O)O PI-20855 [1,1,0,0,0,0|0,0,2]=4 131 B5R0.4 C=C[Si](C)(C)C PI-35331 [1,1,0,0,0,0|1,1,0]=4 132 B5R0.4 C[Si](C)(C=C)Cl PI-45014 [1,1,0,0,0,0|1,1,0]=4 133 B5R0.5 C(C(=O)O)(F)F PI-21386 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.5 C(C(=O)O)(N)O PI-48421 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.5 CC(=C)C(=O)C PI-41913 [1,1,0,0,0,0|0,0,0]=2 136 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [1,1,0,0,0,0|1,0,0]=3 137 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [1,1,0,0,0,0|1,0,0]=3 139 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [1,1,0,0,0,0|1,0,0]=3 140 B5R0.5 CC(C(=O)C)Br PI-35002 [1,1,0,0,0,0|0,0,2]=4 141 B5R0.5 CC(C(=O)C)S PI-48502 [1,1,0,0,0,0|0,0,2]=4 142 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [1,1,0,0,0,0|2,0,0]=4 143 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.5 CC(C(=O)N)C PI-28643 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.5 CC(C(=O)N)N PI-16292 [1,1,0,0,0,0|2,0,0]=4 147 B5R0.5 CC(C(=O)N)N PI-42205 [1,1,0,0,0,0|2,0,0]=4 148 B5R0.5 CC(C(=O)O)Br PI-47030 [1,1,0,0,0,0|0,0,2]=4 149 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,1,0,0,0,0|0,0,2]=4 150 B5R0.5 CC(C(=O)O)F PI-40363 [1,1,0,0,0,0|0,0,2]=4 151 B5R0.5 CC(C(=O)[O-])O PI-14769 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.5 CN(C)C(=O)N PI-50675 [1,1,0,0,0,0|2,0,0]=4 153 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,1,0,0,0,0|0,0,2]=4 154 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,1,0,0,0,0|0,0,2]=4 155 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,1,0,0,0,0|0,0,2]=4 156 B5R0.5 OC(=O)C(=O)C PI-15477 [1,1,0,0,0,0|0,0,1]=3 157 B5R0.2 BrCCCC=C PI-39146 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.2 C=COCCO PI-12735 [1,1,0,0,0,0|2,0,0]=4 159 B5R0.2 CCO\C=C\C PI-12734 [1,1,0,0,0,0|0,0,1]=3 160 B5R0.2 COCCC=O PI-45882 [1,1,0,0,0,0|0,0,2]=4 161 B5R0.2 OCCCC=C PI-13243 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,2,0,0,0,0|0,0,0]=2 163 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,2,0,0,0,0|0,0,0]=2 164 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,2,0,0,0,0|0,0,2]=4 166 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,2,0,0,0,0|0,0,2]=4 167 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,2,0,0,0,0|0,0,2]=4 168 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,2,0,0,0,0|0,0,2]=4 169 B7R0.2 COC(=O)CC(C)N PI-42155 [0,2,0,0,0,0|0,0,2]=4 170 B7R0.2 COC(=O)C[N+](=O)[O-] PI-40485 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,2,0,0,0,0|0,0,2]=4 172 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,2,0,0,0,0|0,0,2]=4 173 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,2,0,0,0,0|0,0,1]=3 175 B7R0.3 C=CCNC(=O)CCl PI-15657 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.3 COC(=O)CCC#C PI-39349 [0,2,0,0,0,0|0,0,2]=4 177 B7R0.3 COC(=O)CCC=O PI-48276 [0,2,0,0,0,0|0,0,1]=3 178 B7R0.3 COC(=O)CCCBr PI-44980 [0,2,0,0,0,0|0,0,2]=4 179 B7R0.3 COC(=O)CCCN PI-42165 [0,2,0,0,0,0|0,0,2]=4 180 B7R0.3 COC(=O)CCSC PI-45979 [0,2,0,0,0,0|0,0,2]=4 181 B7R0.3 COC(=O)CNC=O PI-33232 [0,2,0,0,0,0|0,0,1]=3 182 B7R0.3 COC(=O)\C=C\CBr PI-10946 [0,2,0,0,0,0|0,0,0]=2 183 B7R0.3 COCCC(=O)NN PI-50294 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.3 CO\C=C\C(=O)OC PI-37579 [0,2,0,0,0,0|0,0,0]=2 185 B7R0.3 O=C(OC)CCNC PI-40057 [0,2,0,0,0,0|0,0,2]=4 186 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [0,2,0,0,0,0|0,0,0]=2 187 B7R0.5 CCOC(=O)C(=S)N PI-34781 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.5 CCOC(=O)C(Br)F PI-13394 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,2,0,0,0,0|0,0,2]=4 190 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,2,0,0,0,0|0,0,2]=4 191 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,2,0,0,0,0|0,0,2]=4 192 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.5 CCOC(=O)C(F)F PI-24421 [0,2,0,0,0,0|1,0,1]=4 194 B7R0.5 CCOC(=O)C(F)I PI-49445 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,2,0,0,0,0|0,0,2]=4 197 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,2,0,0,0,0|0,0,1]=3 198 B7R0.7 CCCC(=O)OCCl PI-36667 [0,2,0,0,0,0|0,0,2]=4 199 B7R0.7 CCOC(=O)C#CC PI-22064 [0,2,0,0,0,0|0,0,2]=4 200 B7R0.7 CCOC(=O)COC PI-50353 [0,2,0,0,0,0|0,0,2]=4 201 B7R0.7 CCOC(=O)CSC PI-39857 [0,2,0,0,0,0|0,0,2]=4 202 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,2,0,0,0,0|0,0,2]=4 203 B7R0.7 CCOC(=O)N=C=S PI-36556 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.7 CNCC(=O)OCC PI-30682 [0,2,0,0,0,0|0,0,2]=4 205 B7R0.7 NCCC(=O)OCC PI-33213 [0,2,0,0,0,0|0,0,2]=4 206 B7R0.7 OCCC(=O)OCC PI-39562 [0,2,0,0,0,0|0,0,2]=4 207 B7R0.10 CC(C(=O)NN)OC PI-50407 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.10 CC(CBr)C(=O)OC PI-44215 [0,2,0,0,0,0|0,0,2]=4 209 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,2,0,0,0,0|0,0,2]=4 210 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,2,0,0,0,0|0,0,2]=4 211 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,2,0,0,0,0|0,0,2]=4 212 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,2,0,0,0,0|0,0,2]=4 213 B7R0.10 CN(OC)C(=O)CCl PI-19826 [0,2,0,0,0,0|1,0,1]=4 214 B7R0.10 CNC(=O)C(=O)NC PI-14652 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.10 COC(=O)C(=C)CBr PI-10940 [0,2,0,0,0,0|0,0,0]=2 216 B7R0.10 COC(=O)C(=C)CCl PI-41261 [0,2,0,0,0,0|0,0,0]=2 217 B7R0.10 COC(=O)C(=C)CO PI-41263 [0,2,0,0,0,0|0,0,0]=2 218 B7R0.10 COC(=O)C(=O)NN PI-50286 [0,2,0,0,0,0|1,0,0]=3 219 B7R0.10 COC(=O)C(CCl)N PI-28403 [0,2,0,0,0,0|0,0,2]=4 220 B7R0.10 COC(=O)C(CCl)N PI-39772 [0,2,0,0,0,0|0,0,2]=4 221 B7R0.10 COC(=O)C(CCl)N PI-41755 [0,2,0,0,0,0|0,0,2]=4 222 B7R0.10 COC(=O)C(CO)N PI-11634 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.10 COC(=O)C(CO)O PI-42716 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.10 COC(=O)C(CS)N PI-15751 [0,2,0,0,0,0|0,0,2]=4 225 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [0,2,0,0,0,0|0,0,2]=4 227 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,2,0,0,0,0|0,0,2]=4 228 B7R0.14 CC(C)(C(=O)OC)Br PI-12722 [0,2,0,0,0,0|0,0,2]=4 229 B7R0.14 CC(C)(C(=O)OC)N PI-26154 [0,2,0,0,0,0|0,0,2]=4 230 B7R0.14 COC(=O)C(O)(C)C PI-13169 [0,2,0,0,0,0|0,0,2]=4 231 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,2,0,0,0,0|2,0,0]=4 233 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,1,0,0|1,0,1]=4 234 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|0,0,2]=4 235 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|1,0,1]=4 236 B5R1.1 C1=CSC=C1 PI-45119 [1,0,0,1,0,0|0,1,1]=4 237 B5R1.1 C1=CSN=C1 PI-41498 [1,0,0,1,0,0|1,1,0]=4 238 B5R1.1 C1C=CCN1 PI-36315 [1,0,0,1,0,0|1,0,1]=4 239 B5R1.1 C1C=CCN1 PI-40188 [1,0,0,1,0,0|1,0,1]=4 240 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|0,0,1]=3 241 B5R1.1 O1C=NC=C1 PI-37188 [1,0,0,1,0,0|1,0,1]=4 242 B5R1.1 O1N=CC=C1 PI-37186 [1,0,0,1,0,0|1,0,0]=3 243 B5R1.1 c1ccn[nH]1 PI-12159 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.1 C1=CNC=C1C=O PI-34088 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.1 C1=COC(=C1)CS PI-48474 [0,1,0,1,0,0|0,1,1]=4 246 B7R1.1 C1=CSC(=C1)C=O PI-44709 [0,1,0,1,0,0|0,1,1]=4 247 B7R1.1 CCC1=CC=CS1 PI-10993 [0,1,0,1,0,0|1,1,0]=4 248 B7R1.1 CCC1=CSC=C1 PI-35073 [0,1,0,1,0,0|1,1,0]=4 249 B7R1.1 CCc1ncc[nH]1 PI-31817 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.1 COC1=NC=CS1 PI-11131 [0,1,0,1,0,0|0,1,0]=3 251 B7R1.1 COc1cccs1 PI-33573 [0,1,0,1,0,0|0,1,0]=3 252 B7R1.1 COc1cscc1 PI-27269 [0,1,0,1,0,0|0,1,0]=3 253 B7R1.1 CSC1=CSC=C1 PI-29322 [0,1,0,1,0,0|0,2,0]=4 254 B7R1.1 O=CC1=CCCC1 PI-39104 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.1 O=CC1=NC=CO1 PI-39572 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.1 O=Cc1cnco1 PI-38922 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.1 O=Cc1cscc1 PI-10763 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.2 Brc1ccc(Br)o1 PI-17239 [0,1,0,1,0,0|1,0,1]=4 261 B7R1.2 C1=C(NNC1=O)N PI-30770 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.2 C1C(=O)COC1=O PI-17979 [0,1,0,1,0,0|0,0,1]=3 263 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,1,0,1,0,0|1,1,0]=4 264 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,1,0,0|0,0,2]=4 266 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.2 CC1=CC=C(S1)Br PI-11164 [0,1,0,1,0,0|1,1,0]=4 270 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,1,0,1,0,0|1,1,0]=4 271 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.2 CC1COC(=O)N1 PI-35869 [0,1,0,1,0,0|0,0,2]=4 273 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|0,0,2]=4 274 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,1,0,1,0,0|0,0,2]=4 275 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,1,0,1,0,0|0,0,2]=4 277 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.2 Cc1ccc(s1)Cl PI-29205 [0,1,0,1,0,0|1,1,0]=4 279 B7R1.2 Cc1ccn(n1)C PI-37587 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.2 Cc1noc(c1)N PI-30153 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.2 Cn1ccc(I)n1 PI-37412 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.2 Cn1ccc(n1)Br PI-38258 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.2 Cn1ccc(n1)N PI-38170 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.2 Nc1noc(c1)C PI-33190 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.2 O=C1OC=C(Br)O1 PI-38607 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.2 O=C1OC=C(Cl)O1 PI-38606 [0,1,0,1,0,0|1,0,1]=4 289 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,1,0,0|0,0,2]=4 290 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,1,0,0|0,0,2]=4 291 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [0,1,0,1,0,0|0,0,1]=3 294 B7R1.3 C1=CN=CNC1=O PI-21341 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.3 C1=CN=CNC1=O PI-45002 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [0,1,0,1,0,0|1,0,1]=4 297 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [0,1,0,1,0,0|1,0,1]=4 298 B7R1.3 C1=COC=CC1=O PI-43972 [0,1,0,1,0,0|1,0,1]=4 299 B7R1.3 C1CC(=O)COC1 PI-39263 [0,1,0,1,0,0|0,0,2]=4 300 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,1,0,1,0,0|0,0,0]=2 301 B7R1.3 O=C1C=CC=NN1 PI-40006 [0,1,0,1,0,0|1,0,1]=4 302 B7R1.3 O=C1C=CNC=C1 PI-33984 [0,1,0,1,0,0|1,0,1]=4 303 B7R1.3 O=C1CCCCO1 PI-37295 [0,1,0,1,0,0|0,0,2]=4 304 B7R1.3 O=C1COCCN1 PI-38277 [0,1,0,1,0,0|1,0,1]=4 305 B7R1.3 O=C1COCCO1 PI-44056 [0,1,0,1,0,0|0,0,2]=4 306 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|0,0,2]=4 307 B7R1.4 Brc1cscc1C PI-39112 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.4 C1=COC(=C1Br)Br PI-17204 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,1,0,1,0,0|1,0,1]=4 310 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|0,0,2]=4 311 B7R1.4 C=C1CCOC1=O PI-13231 [0,1,0,1,0,0|0,0,0]=2 312 B7R1.4 CC1=C(SC=C1)Cl PI-10992 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.4 CC1=CCOC1=O PI-46986 [0,1,0,1,0,0|0,0,0]=2 314 B7R1.4 CC1=CSC=C1C PI-35053 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.4 CC1=NC=CN1C PI-31811 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.4 CN1C=CN=C1Cl PI-20160 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.4 CN1C=CNC1=S PI-18739 [0,1,0,1,0,0|1,1,0]=4 318 B7R1.4 CN1C=NC=C1Cl PI-11701 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.4 CN1C=NC=C1Cl PI-12996 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.4 CN1C=NC=C1I PI-25811 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.4 Cc1ccsc1Br PI-10990 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.4 Cn1ccnc1Br PI-14474 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.4 Cn1nccc1C PI-37575 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.4 Cn1nccc1N PI-28081 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.4 Cn1nccc1O PI-37212 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.4 Cn1sccc1=O PI-11861 [0,1,0,1,0,0|1,0,0]=3 327 B7R1.4 NC1CONC1=O PI-38463 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|0,0,2]=4 329 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|0,0,2]=4 330 B7R1.4 SC1=C(C)OC=C1 PI-14227 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.22 COC(=O)C1CC1 PI-32774 [0,1,0,1,0,0|0,0,2]=4 332 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,1,0,1,0,0|0,0,2]=4