0 B5R0.3 C(C(=O)NN)O PI-50333 [0,0,0,0,0,0|2,1,1]=4 1 B5R0.3 C(C(=O)NN)S PI-50542 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.3 C(C(C=O)O)O PI-14881 [0,0,0,0,0,0|0,2,1]=3 3 B5R0.3 C(C(CBr)O)Br PI-47056 [0,0,0,0,0,0|2,1,0]=3 4 B5R0.3 C(C(CCl)O)F PI-20093 [0,0,0,0,0,0|2,1,0]=3 5 B5R0.3 C(C(CCl)O)O PI-16668 [0,0,0,0,0,0|1,1,0]=2 6 B5R0.3 C(C(CO)N)O PI-16192 [0,0,0,0,0,0|1,1,0]=2 7 B5R0.3 C(C(CO)O)N PI-10528 [0,0,0,0,0,0|1,1,0]=2 8 B5R0.3 C([C@@H](CCl)O)N PI-48662 [0,0,0,0,0,0|2,1,0]=3 9 B5R0.3 C=C[C@H](CO)N PI-48191 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 CCC(=O)CBr PI-20588 [0,0,0,0,0,0|2,1,1]=4 11 B5R0.3 CCC(CO)N PI-45910 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 ClCC(=C)CCl PI-41237 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 NCC(O)CO PI-12972 [0,0,0,0,0,0|1,1,0]=2 14 B5R0.3 NC[C@H](O)CO PI-28266 [0,0,0,0,0,0|1,1,0]=2 15 B5R0.3 N[C@H](CO)C=C PI-36414 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,0,0,0,0,0|0,2,1]=3 17 B5R0.3 OCC(=C)CO PI-24347 [0,0,0,0,0,0|1,1,1]=3 18 B5R0.3 OCC(CO)N PI-10243 [0,0,0,0,0,0|1,1,0]=2 19 B5R0.3 OCC(O)CO PI-12961 [0,0,0,0,0,0|0,2,0]=2 20 B5R0.3 OC[C@H](O)CCl PI-16667 [0,0,0,0,0,0|1,1,0]=2 21 B4R0.1 C(C(F)F)N PI-48941 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|1,1,1]=4 24 B4R0.1 CC(C#C)O PI-44141 [1,0,0,0,0,0|1,1,1]=4 25 B4R0.1 CC(C)CN PI-46903 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 CC(CN)O PI-16659 [1,0,0,0,0,0|1,1,0]=3 28 B4R0.1 CC(CO)O PI-16674 [1,0,0,0,0,0|0,1,0]=2 29 B4R0.1 CC(O)=NO PI-10772 [1,0,0,0,0,0|1,1,1]=4 30 B4R0.1 CC(O)C#C PI-43256 [1,0,0,0,0,0|1,1,1]=4 31 B4R0.1 CCB(O)O PI-25578 [1,0,0,0,0,0|2,1,0]=4 32 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|1,1,0]=3 33 B4R0.1 C[C@@H](CO)N PI-12236 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 C[C@@H](N)CO PI-16472 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 C[C@@H](O)CN PI-12234 [1,0,0,0,0,0|1,1,0]=3 36 B4R0.1 NC[C@@H](N)C PI-39121 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 NNC(C)C PI-37110 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 OCC(F)F PI-21165 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 OC[C@H](O)C PI-16673 [1,0,0,0,0,0|0,1,0]=2 40 B4R0.2 C#CCCCl PI-38919 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 C#CCCN PI-40906 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 C#CCCO PI-16501 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.2 C(CF)CF PI-21236 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 C(CF)CI PI-41494 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 C(CN)CN PI-19035 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 C(CN)CN PI-46906 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 C(CN)CS PI-39174 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.2 C(CO)CBr PI-15814 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.2 C(CO)CI PI-50488 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.2 C(CS)CS PI-11004 [1,0,0,0,0,0|0,1,0]=2 51 B4R0.2 C=CCCBr PI-20589 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 CC#CCO PI-15652 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 CCCCCl PI-44613 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 CCCNC PI-39187 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.2 COCCBr PI-21426 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.2 ClCCNC PI-41980 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.2 NCCC#C PI-36764 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 OCCCS PI-39546 [1,0,0,0,0,0|0,0,0]=1 60 B6R0.1 C(C#N)C(CCl)O PI-16669 [0,1,0,0,0,0|2,1,0]=4 61 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,1,0,0,0,0|1,1,1]=4 62 B6R0.1 C(CBr)C(CO)O PI-40398 [0,1,0,0,0,0|1,1,0]=3 63 B6R0.1 C(CO)C(CO)O PI-28525 [0,1,0,0,0,0|0,2,0]=3 64 B6R0.1 C(CO)C(CO)O PI-28767 [0,1,0,0,0,0|0,2,0]=3 65 B6R0.1 C(CO)C(CO)O PI-44643 [0,1,0,0,0,0|0,2,0]=3 66 B6R0.1 CC(CCN)CO PI-48961 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.1 CCCC(CC)Cl PI-46859 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.1 CCCC(CO)O PI-13556 [0,1,0,0,0,0|1,1,0]=3 69 B6R0.1 CNCC(CO)O PI-34729 [0,1,0,0,0,0|1,1,0]=3 70 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,1,0,0,0,0|1,1,0]=3 71 B6R0.1 O[C@H](CCl)CC#N PI-10363 [0,1,0,0,0,0|2,1,0]=4 72 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,1,0,0,0,0|1,1,1]=4 78 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,1,0,0,0,0|1,1,1]=4 79 B6R0.3 CCC(C(=O)C)S PI-48501 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.3 CCC(C(=O)O)N PI-28320 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 CCC(C(=O)O)N PI-43844 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 CCC(C(C)Br)Br PI-25651 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 NC(C(=O)O)CN PI-10165 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 NC(C(=O)O)CN PI-35820 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 NC(CO)C(O)=O PI-35846 [0,1,0,0,0,0|1,1,1]=4 88 B6R0.3 NC(CS)C(=O)O PI-15748 [0,1,0,0,0,0|1,0,1]=3 89 B6R0.3 NCC(C(=O)O)O PI-38395 [0,1,0,0,0,0|1,1,1]=4 90 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,1,0,0,0,0|1,0,1]=3 92 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.3 O=C(O)C(C)CN PI-42145 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,1,0,0,0,0|1,1,1]=4 95 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [0,1,0,0,0,0|1,1,0]=3 98 B6R0.3 [O-][N+](=O)C(CO)C PI-42624 [0,1,0,0,0,0|2,1,0]=4 99 B6R0.8 C(C(CN)(F)F)N PI-49264 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.9 CCC(CC)CBr PI-47059 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.9 OCC(CC)CO PI-41977 [0,1,0,0,0,0|1,1,0]=3 102 B6R0.9 OCC(CO)CO PI-37259 [0,1,0,0,0,0|0,2,0]=3 103 B6R0.9 OCC(OC)CO PI-46661 [0,1,0,0,0,0|0,2,0]=3 104 B6R1.2 C1C=CCC1N PI-35476 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.2 C1CNCC1F PI-37496 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.2 C1CNCC1N PI-12334 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.2 C1CNCC1N PI-15467 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.2 C1CNCC1N PI-15468 [0,0,0,1,0,0|3,0,0]=4 109 B6R1.2 C1CNCC1N PI-16581 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.2 C1CNCC1N PI-16582 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.2 C1CNCC1O PI-10126 [0,0,0,1,0,0|2,1,0]=4 112 B6R1.2 C1CNCC1O PI-42733 [0,0,0,1,0,0|2,1,0]=4 113 B6R1.2 C1COCC1Cl PI-42699 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.2 C1COCC1N PI-42643 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.2 C1COCC1N PI-44061 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.2 C1COCC1O PI-42698 [0,0,0,1,0,0|1,1,0]=3 117 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,1,0,0|1,1,1]=4 118 B6R1.2 C1CSCC1O PI-48171 [0,0,0,1,0,0|1,1,0]=3 119 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,1,0,0|3,0,0]=4 122 B6R1.2 FC1CNCC1 PI-38496 [0,0,0,1,0,0|3,0,0]=4 123 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,0,0,1,0,0|3,0,0]=4 124 B6R1.2 IC1COCC1 PI-42701 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.2 NC1CCNC1 PI-42734 [0,0,0,1,0,0|3,0,0]=4 126 B6R1.2 NC1COCC1 PI-42705 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,1,0,0|1,1,1]=4 128 B6R1.2 OC1CC=CC1 PI-38265 [0,0,0,1,0,0|2,1,0]=4 129 B6R1.2 OC1COCC1 PI-20870 [0,0,0,1,0,0|1,1,0]=3 130 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,0,0,1,0,0|1,1,0]=3 131 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,0,0,1,0,0|2,1,0]=4 132 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,0,0,1,0,0|2,1,0]=4 133 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,0,0,1,0,0|1,1,0]=3 134 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,0,0,1,0,0|2,1,0]=4 135 B6R1.6 BrCC1CCC1 PI-28204 [0,0,0,1,0,0|3,0,0]=4 136 B6R1.6 C1C(CO1)C=O PI-48343 [0,0,0,1,0,0|1,1,1]=4 137 B6R1.6 C1C(CO1)CO PI-48337 [0,0,0,1,0,0|1,1,0]=3 138 B6R1.6 C1CC(C1)CO PI-28530 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.6 NCC1CCC1 PI-42247 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.6 OCC1COC1 PI-38455 [0,0,0,1,0,0|1,1,0]=3 141 B6R1.7 C1CC1(CO)N PI-36053 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.7 CC1(CO1)C=C PI-48078 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.7 NCC1(O)CC1 PI-36049 [0,0,0,1,0,0|2,1,0]=4 144 B6R1.7 SCC1(C)CC1 PI-37767 [0,0,0,1,0,0|2,0,0]=3 145 B3R0.1 C(CBr)Cl PI-44621 [2,0,0,0,0,0|2,0,0]=4 146 B3R0.1 C(CF)F PI-21164 [2,0,0,0,0,0|2,0,0]=4 147 B3R0.1 C(CS)N PI-39848 [2,0,0,0,0,0|1,0,0]=3 148 B3R0.1 C(F)CN PI-41615 [2,0,0,0,0,0|2,0,0]=4 149 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,2]=4 150 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,0]=3 151 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,0]=3 152 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|2,0,0]=4 153 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|2,0,0]=4 154 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.1 NCCN PI-38127 [2,0,0,0,0,0|2,0,0]=4 156 B3R0.1 NCCN PI-38389 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.1 OCCBr PI-37291 [2,0,0,0,0,0|1,0,0]=3 158 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|1,0,0]=3 159 B3R0.2 CB(O)O PI-24088 [2,0,0,0,0,0|1,1,0]=4 160 B3R0.2 CC(=O)O PI-11632 [2,0,0,0,0,0|0,1,1]=4 161 B3R0.2 CC(=O)O PI-38547 [2,0,0,0,0,0|0,1,1]=4 162 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|0,1,0]=3 163 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.1 CC(=O)NCO PI-29791 [1,1,0,0,0,0|0,1,1]=4 165 B5R0.1 CC(CCO)N PI-34839 [1,1,0,0,0,0|1,0,0]=3 166 B5R0.1 CC(CCO)N PI-35494 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.1 CC(CCO)O PI-15618 [1,1,0,0,0,0|0,1,0]=3 168 B5R0.1 CCCC(C)N PI-36925 [1,1,0,0,0,0|2,0,0]=4 169 B5R0.1 CCCC(C)O PI-42533 [1,1,0,0,0,0|1,1,0]=4 170 B5R0.1 CCC[C@@H](O)C PI-42532 [1,1,0,0,0,0|1,1,0]=4 171 B5R0.1 COCC(O)C PI-12912 [1,1,0,0,0,0|0,1,0]=3 172 B5R0.1 C[C@@H](CC#N)N PI-48104 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.1 C[C@H](CCO)N PI-35493 [1,1,0,0,0,0|1,0,0]=3 174 B5R0.1 O=C(O)CCS PI-40342 [1,1,0,0,0,0|0,1,1]=4 175 B5R0.1 O=S(CSC)C PI-39632 [1,1,0,0,0,0|1,1,0]=4 176 B5R0.1 OCC[C@H](O)C PI-15617 [1,1,0,0,0,0|0,1,0]=3 177 B5R0.4 CC(C)(C)CN PI-21979 [1,1,0,0,0,0|2,0,0]=4 178 B5R0.4 CC(C)(CO)N PI-50412 [1,1,0,0,0,0|1,0,0]=3 179 B5R0.4 CC(CCl)(F)Cl PI-21038 [1,1,0,0,0,0|2,0,0]=4 180 B5R0.4 CCC(C)(C)[O-] PI-38669 [1,1,0,0,0,0|1,1,0]=4 181 B5R0.4 C[Si](C)(C)CO PI-35298 [1,1,0,0,0,0|1,1,0]=4 182 B5R0.4 NCC(C)(C)C PI-14589 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.4 NCC(O)(C)C PI-37508 [1,1,0,0,0,0|1,1,0]=4 184 B5R0.4 OCC(F)(F)C PI-39537 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.5 CC(C(=O)C)S PI-48502 [1,1,0,0,0,0|0,0,2]=4 186 B5R0.5 CC(C(=O)O)Br PI-47030 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.5 CC(C(=O)O)F PI-40363 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.5 CC(C(C)S)O PI-13701 [1,1,0,0,0,0|0,0,0]=2 190 B5R0.5 CC(C(C)S)O PI-48503 [1,1,0,0,0,0|0,0,0]=2 191 B5R0.5 CC(C(C)S)S PI-48471 [1,1,0,0,0,0|0,0,0]=2 192 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,1,0,0,0,0|0,1,1]=4 194 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.2 BrCCCC=C PI-39146 [1,1,0,0,0,0|2,0,0]=4 196 B5R0.2 BrCCSCC PI-21417 [1,1,0,0,0,0|2,0,0]=4 197 B5R0.2 C(C#CCO)O PI-44635 [1,1,0,0,0,0|0,1,1]=4 198 B5R0.2 C(CC#N)CBr PI-41208 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.2 C(CCBr)CCl PI-15812 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.2 C(CCBr)CN PI-46910 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.2 C(CCCl)CO PI-15813 [1,1,0,0,0,0|1,0,0]=3 202 B5R0.2 C(CCS)CS PI-11005 [1,1,0,0,0,0|0,1,0]=3 203 B5R0.2 C=COCCO PI-12735 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.2 CCCSSC PI-48493 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.2 CCNCCN PI-13215 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.2 CCSCCN PI-22120 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.2 CNCCSC PI-35879 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.2 COCCC=O PI-45882 [1,1,0,0,0,0|0,1,1]=4 209 B5R0.2 COCCCCl PI-38032 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.2 COCCCO PI-10094 [1,1,0,0,0,0|0,1,0]=3 211 B5R0.2 CSCCC=O PI-45744 [1,1,0,0,0,0|0,0,2]=4 212 B5R0.2 ClCCCC#C PI-20198 [1,1,0,0,0,0|2,0,0]=4 213 B5R0.2 ClCCCC#N PI-38313 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.2 FCCCCBr PI-14440 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.2 NCCCCO PI-38298 [1,1,0,0,0,0|1,0,0]=3 216 B5R0.2 OCCCC#C PI-13238 [1,1,0,0,0,0|1,0,0]=3 217 B5R0.2 OCCCC=C PI-13243 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.2 OCCCCBr PI-12762 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.2 OC\C=C\CO PI-40910 [1,1,0,0,0,0|0,1,1]=4 220 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,2,0,0,0,0|1,1,0]=4 221 B7R0.2 CC(C)CC(CO)N PI-35868 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,2,0,0,0,0|1,1,0]=4 223 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,2,0,0,0,0|1,1,0]=4 224 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,2,0,0,0,0|1,1,0]=4 226 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.5 NC(CCS)C(=O)O PI-27603 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.7 CCCC(S)CCO PI-37281 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.7 COCC(N)COC PI-36402 [0,2,0,0,0,0|1,1,0]=4 232 B7R0.7 CSCC(CNN)O PI-45806 [0,2,0,0,0,0|1,1,0]=4 233 B7R0.10 CCC(C(C)CO)S PI-48470 [0,2,0,0,0,0|1,0,0]=3 234 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.10 COC(=O)C(CS)N PI-15751 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [0,2,0,0,0,0|0,2,0]=4 237 B7R0.10 SC[C@H]([C@@H](CS)O)O PI-27013 [0,2,0,0,0,0|0,1,0]=3 238 B7R0.12 CCCC(CO)CO PI-44018 [0,2,0,0,0,0|1,1,0]=4 239 B7R0.13 CC(CS)(C(=O)O)N PI-35158 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.13 C[C@](N)(CS)C(=O)O PI-35159 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.13 OCC(F)(F)C(F)F PI-11540 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.14 CC(C)(C)C(CO)N PI-47156 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.18 CCC(CO)(CO)N PI-34179 [0,2,0,0,0,0|1,1,0]=4 244 B7R0.18 OCC(CO)(CO)N PI-27069 [0,2,0,0,0,0|0,2,0]=4 245 B7R0.18 OCC(N)(CO)CO PI-34173 [0,2,0,0,0,0|0,2,0]=4 246 B5R1.2 BrC1CCC1 PI-37245 [1,0,0,1,0,0|2,0,0]=4 247 B5R1.2 FC1CNC1 PI-36097 [1,0,0,1,0,0|2,0,0]=4 248 B5R1.2 NC1CCC1 PI-15786 [1,0,0,1,0,0|2,0,0]=4 249 B5R1.2 NC1COC1 PI-41949 [1,0,0,1,0,0|1,0,0]=3 250 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|0,1,1]=4 251 B5R1.2 OC1CNC1 PI-20728 [1,0,0,1,0,0|1,1,0]=4 252 B5R1.2 OC1COC1 PI-38454 [1,0,0,1,0,0|0,1,0]=3 253 B5R1.3 BrCC1CC1 PI-12057 [1,0,0,1,0,0|2,0,0]=4 254 B5R1.3 C1C(O1)CO PI-10360 [1,0,0,1,0,0|0,1,0]=3 255 B5R1.3 C1CC1CN PI-17835 [1,0,0,1,0,0|2,0,0]=4 256 B5R1.3 ClCC1OC1 PI-37744 [1,0,0,1,0,0|1,1,0]=4 257 B5R1.3 ClC[C@@H]1CO1 PI-16630 [1,0,0,1,0,0|1,1,0]=4 258 B5R1.3 ClC[C@H]1CO1 PI-16629 [1,0,0,1,0,0|1,1,0]=4 259 B5R1.3 FCC1CO1 PI-22023 [1,0,0,1,0,0|1,1,0]=4 260 B5R1.3 NCC1CC1 PI-12825 [1,0,0,1,0,0|2,0,0]=4 261 B5R1.3 OC[C@H]1CO1 PI-10359 [1,0,0,1,0,0|0,1,0]=3 262 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [1,0,0,1,0,0|2,0,0]=4 263 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.1 C1CCC(C1)CO PI-44131 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.1 C1CNCC1CO PI-40189 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.1 C1CNCC1CO PI-40190 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.1 C1COCC1CBr PI-42703 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.1 C1COCC1CCl PI-42702 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.1 C1COCC1CO PI-41224 [0,1,0,1,0,0|1,1,0]=4 270 B7R1.1 ICC1COCC1 PI-42704 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.1 OCC1CC=CC1 PI-35499 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.1 OC[C@H]1CCCN1 PI-16475 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,1,0,0|0,2,0]=4 275 B7R1.2 C1CC(CC1N)O PI-44226 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.2 C1CC(CC1O)O PI-43989 [0,1,0,1,0,0|1,1,0]=4 277 B7R1.2 CC1CCC(C1)O PI-44641 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,1,0,0|0,2,0]=4 279 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,1,0,0|0,2,0]=4 280 B7R1.3 BrC1CCCOC1 PI-35181 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.3 BrC1CCOCC1 PI-35207 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.3 C1COCCC1Cl PI-45093 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.3 C1COCCC1I PI-45407 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.3 CC1CCOCO1 PI-47110 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.3 NC1CCOCC1 PI-14135 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.3 NC1CCOCC1 PI-39008 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.3 O1CCCC(C1)O PI-42688 [0,1,0,1,0,0|1,1,0]=4 289 B7R1.3 OC1CCOCC1 PI-37145 [0,1,0,1,0,0|1,1,0]=4 290 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.4 CC1C(CCO1)S PI-14229 [0,1,0,1,0,0|1,0,0]=3 292 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,1,0,1,0,0|1,1,0]=4 294 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.6 NCCC1COC1 PI-36429 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.6 OCCC1COC1 PI-36428 [0,1,0,1,0,0|1,1,0]=4 299 B7R1.25 CC1(COC1)CO PI-24315 [0,1,0,1,0,0|1,1,0]=4 300 B7R1.29 C1CC1(CO)CO PI-13563 [0,1,0,1,0,0|1,1,0]=4 301 B7R2.13 O1CC2C(C1)O2 PI-22024 [0,0,0,2,0,0|1,1,0]=4