0 B7R1.4 C=C1CCOC1=O AMY7315 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.4 CC1=C(Br)C=CS1 AM20090416 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.4 CC1=C(C)SC=N1 AMY23262 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.4 CC1=C(S)C=CS1 AMY10940 [0,0,0,0,0,0|0,1,3]=4 4 B7R1.4 CC1CNCC1O AM806548 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.4 CN1CCCC1=O AM20110252 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.4 CN1CCSC1=S AM84657 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.4 CN1N=CCC1=O AMY11892 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.4 CN1NC=CC1=O AMY11909 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.4 CN1SC=CC1=O AM84857 [0,0,0,0,0,0|1,0,2]=3 10 B7R1.4 CN1SC=CC1=O AMY38474 [0,0,0,0,0,0|1,0,2]=3 11 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,0,0,0,0,0|0,0,0]=0 12 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,0,0,0,0,0|1,0,0]=1 13 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.4 NC1CCCC1N AMY40491 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.4 NC1CCCC1O AMY1026 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.4 NN1CCCC1=O AM84704 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.4 N[C@H]1CONC1=O AM20100628 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.4 O=C1CCCC1=O AMY23435 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,0,0,0,0,0|2,0,2]=4 36 B6R1.2 BrC1=CCCC1 AMY38286 [1,0,0,0,0,0|2,0,1]=4 37 B6R1.2 BrC1CCCC1 AM20080273 [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 Br[C@H]1CCNC1 AM101739 [1,0,0,0,0,0|2,0,1]=4 39 B6R1.2 Br[C@H]1CCNC1 AM101740 [1,0,0,0,0,0|2,0,1]=4 40 B6R1.2 Br[C@H]1CCNC1 AM101781 [1,0,0,0,0,0|2,0,1]=4 41 B6R1.2 Br[C@H]1CCNC1 AM91615 [1,0,0,0,0,0|2,0,1]=4 42 B6R1.2 Br[C@H]1CCNC1 AM96305 [1,0,0,0,0,0|2,0,1]=4 43 B6R1.2 Br[C@H]1CCNC1 AM96372 [1,0,0,0,0,0|2,0,1]=4 44 B6R1.2 Br[C@H]1CCOC1 AM20090126 [1,0,0,0,0,0|1,1,1]=4 45 B6R1.2 C=C1CCOC1 AMY6014 [1,0,0,0,0,0|1,1,0]=3 46 B6R1.2 CC1=CC=CS1 AMY23234 [1,0,0,0,0,0|0,0,3]=4 47 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,0,0,0|1,0,1]=3 48 B6R1.2 CC1=NCCC1 AMY886 [1,0,0,0,0,0|1,0,2]=4 49 B6R1.2 CC1=NCCS1 AMY23228 [1,0,0,0,0,0|1,0,1]=3 50 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,0,0,0|1,0,1]=3 51 B6R1.2 CN1CCCC1 AMY25542 [1,0,0,0,0,0|2,0,1]=4 52 B6R1.2 C[C@@H]1CCNC1 AMY37511 [1,0,0,0,0,0|2,0,1]=4 53 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,0,0,0|1,0,1]=3 54 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,0,0,0|1,0,1]=3 55 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,0,0,0|1,0,1]=3 56 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,0,0,0|1,0,1]=3 57 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,0,0,0|1,0,1]=3 58 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,0,0,0|0,1,1]=3 59 B6R1.2 C[C@H]1CCNC1 AM803039 [1,0,0,0,0,0|2,0,1]=4 60 B6R1.2 C[C@H]1CCNC1 AM803735 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.2 C[C@H]1CCNC1 AMY37562 [1,0,0,0,0,0|2,0,1]=4 62 B6R1.2 ClC1CCCC1 AMY22306 [1,0,0,0,0,0|2,0,1]=4 63 B6R1.2 Cl[C@H]1CCNC1 AM90551 [1,0,0,0,0,0|2,0,1]=4 64 B6R1.2 Cl[C@H]1CCNC1 AM90553 [1,0,0,0,0,0|2,0,1]=4 65 B6R1.2 Cl[C@H]1CCNC1 AM90576 [1,0,0,0,0,0|2,0,1]=4 66 B6R1.2 Cl[C@H]1CCNC1 AM90577 [1,0,0,0,0,0|2,0,1]=4 67 B6R1.2 Cl[C@H]1CCNC1 AM91617 [1,0,0,0,0,0|2,0,1]=4 68 B6R1.2 Cl[C@H]1CCNC1 AM96290 [1,0,0,0,0,0|2,0,1]=4 69 B6R1.2 Cl[C@H]1CCOC1 AM100455 [1,0,0,0,0,0|1,1,1]=4 70 B6R1.2 F[C@H]1CCNC1 AM20080115 [1,0,0,0,0,0|2,0,1]=4 71 B6R1.2 F[C@H]1CCNC1 AM20080270 [1,0,0,0,0,0|2,0,1]=4 72 B6R1.2 F[C@H]1CCNC1 AM20080271 [1,0,0,0,0,0|2,0,1]=4 73 B6R1.2 F[C@H]1CCNC1 AM20090020 [1,0,0,0,0,0|2,0,1]=4 74 B6R1.2 F[C@H]1CCNC1 AMY41754 [1,0,0,0,0,0|2,0,1]=4 75 B6R1.2 IC1CCCC1 AMY3844 [1,0,0,0,0,0|2,0,1]=4 76 B6R1.2 I[C@H]1CCNC1 AM91594 [1,0,0,0,0,0|2,0,1]=4 77 B6R1.2 I[C@H]1CCNC1 AM91619 [1,0,0,0,0,0|2,0,1]=4 78 B6R1.2 I[C@H]1CCNC1 AM91621 [1,0,0,0,0,0|2,0,1]=4 79 B6R1.2 I[C@H]1CCNC1 AM92136 [1,0,0,0,0,0|2,0,1]=4 80 B6R1.2 I[C@H]1CCNC1 AM95453 [1,0,0,0,0,0|2,0,1]=4 81 B6R1.2 I[C@H]1CCNC1 AM96429 [1,0,0,0,0,0|2,0,1]=4 82 B6R1.2 I[C@H]1CCOC1 AM20080159 [1,0,0,0,0,0|1,1,1]=4 83 B6R1.2 N=C1CCCC1 AMY39966 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 NC1=NCCS1 AMY202003298 [1,0,0,0,0,0|2,0,1]=4 85 B6R1.2 NC1CCCC1 AMY3757 [1,0,0,0,0,0|2,0,1]=4 86 B6R1.2 N[C@@H]1CCCN1 AMY9118 [1,0,0,0,0,0|2,0,1]=4 87 B6R1.2 N[C@H]1CCNC1 AM81992 [1,0,0,0,0,0|2,0,1]=4 88 B6R1.2 N[C@H]1CCNC1 AM81993 [1,0,0,0,0,0|2,0,1]=4 89 B6R1.2 N[C@H]1CCNC1 AM85320 [1,0,0,0,0,0|2,0,1]=4 90 B6R1.2 N[C@H]1CCOC1 AM20080063 [1,0,0,0,0,0|1,1,1]=4 91 B6R1.2 N[C@H]1CCOC1 AM20120276 [1,0,0,0,0,0|1,1,1]=4 92 B6R1.2 N[C@H]1CCOC1 AM62692 [1,0,0,0,0,0|1,1,1]=4 93 B6R1.2 N[C@H]1CCOC1 AMY4352 [1,0,0,0,0,0|1,1,1]=4 94 B6R1.2 N[C@H]1CCOC1 AMY5964 [1,0,0,0,0,0|1,1,1]=4 95 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,0,0,0|1,0,1]=3 96 B6R1.2 O=C1C=CCO1 AM20100212 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.2 O=C1CC=NN1 AMY11924 [1,0,0,0,0,0|2,0,1]=4 98 B6R1.2 O=C1CCCC1 AMY37126 [1,0,0,0,0,0|1,0,0]=2 99 B6R1.2 O=C1CCCN1 AMY25506 [1,0,0,0,0,0|2,0,0]=3 100 B6R1.2 O=C1CCNC1 AM20120384 [1,0,0,0,0,0|1,0,0]=2 101 B6R1.2 O=C1CCNC1 AMY6183 [1,0,0,0,0,0|1,0,0]=2 102 B6R1.2 O=C1CCNN1 AMY39277 [1,0,0,0,0,0|2,0,0]=3 103 B6R1.2 O=C1CCOC1 AM20090235 [1,0,0,0,0,0|0,1,0]=2 104 B6R1.2 O=C1CCSC1 AMY23378 [1,0,0,0,0,0|0,0,0]=1 105 B6R1.2 O=C1CNCN1 AM84594 [1,0,0,0,0,0|2,0,0]=3 106 B6R1.2 O=C1NCCN1 AM20080146 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 O=C1NCCO1 AMY39498 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 OC1CCCC1 AMY3616 [1,0,0,0,0,0|1,0,2]=4 109 B6R1.2 O[C@@H]1CCCO1 AMY20193 [1,0,0,0,0,0|1,1,1]=4 110 B6R1.2 O[C@H]1CCNC1 AM20070695 [1,0,0,0,0,0|1,0,2]=4 111 B6R1.2 O[C@H]1CCNC1 AM20080166 [1,0,0,0,0,0|1,0,2]=4 112 B6R1.2 O[C@H]1CCNC1 AM20090354 [1,0,0,0,0,0|1,0,2]=4 113 B6R1.2 O[C@H]1CCNC1 AM20100082 [1,0,0,0,0,0|1,0,2]=4 114 B6R1.2 O[C@H]1CCNC1 AM90404 [1,0,0,0,0,0|1,0,2]=4 115 B6R1.2 O[C@H]1CCOC1 AM20100156 [1,0,0,0,0,0|0,1,2]=4 116 B6R1.2 O[C@H]1CCOC1 AM20110236 [1,0,0,0,0,0|0,1,2]=4 117 B6R1.2 O[C@H]1CCOC1 AM20110237 [1,0,0,0,0,0|0,1,2]=4 118 B6R1.2 O[C@H]1CCSC1 AM20090505 [1,0,0,0,0,0|0,0,2]=3 119 B6R1.2 SC1=NCCS1 AMY23225 [1,0,0,0,0,0|2,0,1]=4 120 B6R1.2 S[C@H]1CCOC1 AM101772 [1,0,0,0,0,0|0,2,1]=4 121 B8R1.11 CN1CCC[C@@H]1CBr AM101006 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.11 CN1CCC[C@@H]1CBr AM101207 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.11 CN1CCC[C@@H]1CCl AM100987 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.11 CN1CCC[C@@H]1CCl AM97531 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.11 CN1CCC[C@@H]1CI AM100992 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.11 CN1CCC[C@@H]1CI AM96163 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.11 CN1CCC[C@@H]1CN AM100590 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.11 CN1CCC[C@@H]1CN AM101111 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.11 CN1CCC[C@H]1C=O AM101350 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.11 CN1CCC[C@H]1C=O AM92013 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.11 N#C[C@H]1CCCC1=O AMY4320 [0,1,0,0,0,0|1,0,1]=3 134 B8R1.11 N#C[C@H]1CNCC1=O AM101437 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.11 N#C[C@H]1COCC1=O AMY23756 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.11 N#C[C@H]1CSCC1=O AMY10953 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.11 O=C1CCC=C1CO AMY2077 [0,1,0,0,0,0|1,0,1]=3 138 B8R1.11 O=C1NCC[C@@H]1CO AMY34785 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.18 CC1=C[C@H](Cl)OC1=O AMY31036 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.18 CN1C[C@@H](N)CC1=O AMY34923 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.18 CN1SC(Cl)=CC1=O AM806586 [0,1,0,0,0,0|1,0,2]=4 142 B8R1.18 C[C@@H]1NC(=O)NC1=O AM20100499 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.18 C[C@@H]1NC(=O)OC1=O AM84795 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.18 C[C@@H]1NC(=S)NC1=O AMY10136 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.19 CC1(C)CCCC1=O AMY25679 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.19 CC1(C)CCNC1=O AMY23821 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,1,0,0,0,0|2,0,1]=4 149 B8R1.50 CC1C(=O)CCC1=O AM20100124 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.50 CN1C(=O)CCC1=O AMY228 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.50 CN1CCN(C)C1=O AMY25786 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.50 CN1CC[C@H](N)C1=O AMY15163 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.50 C[C@@H]1NC[C@H](O)[C@H]1O AMY19209 [0,1,0,0,0,0|1,0,2]=4 154 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O AMY41888 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.50 O=C1CCC(=O)N1Br AMY24078 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.50 O=C1CCC(=O)N1Cl AMY31063 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.50 O=C1CCC(=O)N1I AM20100260 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.50 O=C1CCC(=O)N1O AM83849 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.50 O=C1COC(=O)[C@H]1Br AM807274 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.1 CCC(=O)CC#N AMY10591 [0,0,1,0,0,0|1,0,1]=3 162 B6R0.1 CCNC(=O)CCl AM802871 [0,0,1,0,0,0|3,0,0]=4 163 B6R0.1 CCNC(=O)NC AM85700 [0,0,1,0,0,0|3,0,0]=4 164 B6R0.1 CCOC(=O)CBr AM20070701 [0,0,1,0,0,0|3,0,0]=4 165 B6R0.1 CCOC(=O)CC AMY21941 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.1 CCOC(=O)CN AM81786 [0,0,1,0,0,0|3,0,0]=4 167 B6R0.1 CCOC(=O)NC AMY3767 [0,0,1,0,0,0|3,0,0]=4 168 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,0,1,0,0,0|1,0,1]=3 169 B6R0.1 CNC(=O)CC#N AM20100565 [0,0,1,0,0,0|2,0,1]=4 170 B6R0.1 CNCC(=O)OC AM82645 [0,0,1,0,0,0|3,0,0]=4 171 B6R0.1 COC(=O)CCBr AMY21872 [0,0,1,0,0,0|2,0,0]=3 172 B6R0.1 COC(=O)CCN AM20090461 [0,0,1,0,0,0|2,0,0]=3 173 B6R0.1 COC(=O)CCO AM85845 [0,0,1,0,0,0|1,1,0]=3 174 B6R0.1 COC(=O)CSC AMY10908 [0,0,1,0,0,0|3,0,0]=4 175 B6R0.1 COC(=O)OCCl AMY37648 [0,0,1,0,0,0|3,0,0]=4 176 B6R0.1 COCC(=O)OC AMY4063 [0,0,1,0,0,0|3,0,0]=4 177 B6R0.1 O=C(CCl)CCCl AM9592 [0,0,1,0,0,0|2,0,0]=3 178 B6R0.3 C=CN(C)C(C)=O AMY3934 [0,0,1,0,0,0|2,0,1]=4 179 B6R0.3 CC(=O)C(=O)CBr AMY23002 [0,0,1,0,0,0|1,1,1]=4 180 B6R0.3 CC(=O)C(=O)CCl AMY42031 [0,0,1,0,0,0|1,1,1]=4 181 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,0,1,0,0,0|2,0,0]=3 182 B6R0.3 CC(C)C(=O)NN AMY3958 [0,0,1,0,0,0|3,0,0]=4 183 B6R0.3 CCC(=O)C(=O)O AM90224 [0,0,1,0,0,0|1,1,1]=4 184 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,0,1,0,0,0|1,1,1]=4 185 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,0,1,0,0,0|0,1,1]=3 186 B6R0.3 CCC(=O)N(C)C AMY38676 [0,0,1,0,0,0|2,0,0]=3 187 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,0,1,0,0,0|1,0,0]=2 188 B6R0.3 CCN(C)C(=O)Cl AM20090787 [0,0,1,0,0,0|3,0,0]=4 189 B6R0.3 CCN(O)C(C)=O AMY33549 [0,0,1,0,0,0|3,0,0]=4 190 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [0,0,1,0,0,0|3,0,0]=4 191 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [0,0,1,0,0,0|3,0,0]=4 192 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [0,0,1,0,0,0|3,0,0]=4 193 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,0,1,0,0,0|2,0,0]=3 194 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,0,1,0,0,0|3,0,0]=4 195 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,0,1,0,0,0|3,0,0]=4 196 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,0,1,0,0,0|3,0,0]=4 197 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [0,0,1,0,0,0|3,0,0]=4 198 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [0,0,1,0,0,0|3,0,0]=4 199 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [0,0,1,0,0,0|3,0,0]=4 200 B6R0.3 CN(C)C(=O)CCl AM84854 [0,0,1,0,0,0|3,0,0]=4 201 B6R0.3 CN(C)C(=O)CI AM805909 [0,0,1,0,0,0|3,0,0]=4 202 B6R0.3 CN(C)C(=O)CN AM20100689 [0,0,1,0,0,0|3,0,0]=4 203 B6R0.3 CN(C)C(=O)CN AMY4281 [0,0,1,0,0,0|3,0,0]=4 204 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [0,0,1,0,0,0|2,0,0]=3 205 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [0,0,1,0,0,0|2,0,0]=3 206 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [0,0,1,0,0,0|2,0,0]=3 207 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [0,0,1,0,0,0|2,0,0]=3 208 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [0,0,1,0,0,0|2,0,1]=4 209 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [0,0,1,0,0,0|2,0,0]=3 210 B6R0.3 COC(=O)C(C)=O AMY40825 [0,0,1,0,0,0|1,1,1]=4 211 B6R0.3 COC(=O)C(F)F AMY3631 [0,0,1,0,0,0|3,0,0]=4 212 B6R0.3 COC(=O)[C@H](C)Br AMY21873 [0,0,1,0,0,0|2,0,0]=3 213 B6R0.3 COC(=O)[C@H](C)Cl AM81434 [0,0,1,0,0,0|2,0,0]=3 214 B6R0.3 COC(=O)[C@H](C)Cl AM81435 [0,0,1,0,0,0|2,0,0]=3 215 B6R0.3 COC(=O)[C@H](C)Cl AMY3875 [0,0,1,0,0,0|2,0,0]=3 216 B6R0.3 COC(=O)[C@H](C)N AM20080254 [0,0,1,0,0,0|2,0,0]=3 217 B6R0.3 COC(=O)[C@H](C)N AM20090283 [0,0,1,0,0,0|2,0,0]=3 218 B6R0.3 COC(=O)[C@H](C)N AM81485 [0,0,1,0,0,0|2,0,0]=3 219 B6R0.3 CON(C)C(C)=O AM1188 [0,0,1,0,0,0|1,1,0]=3 220 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,0,1,0,0,0|1,1,0]=3 221 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,0,1,0,0,0|3,0,0]=4 222 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,0,1,0,0,0|3,0,0]=4 223 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [0,0,1,0,0,0|3,0,0]=4 224 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [0,0,1,0,0,0|1,0,1]=3 225 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [0,0,1,0,0,0|2,0,1]=4 226 B6R0.6 C=CCCCCBr AM84859 [0,0,1,0,0,0|3,0,0]=4 227 B6R0.6 C=CCCCCO AM20100796 [0,0,1,0,0,0|3,0,0]=4 228 B6R0.6 CCCCCCC AMY22304 [0,0,1,0,0,0|2,0,1]=4 229 B6R0.6 CCCCCCN AMY21942 [0,0,1,0,0,0|2,0,1]=4 230 B6R0.6 CCCCNCC AMY3985 [0,0,1,0,0,0|2,0,1]=4 231 B6R0.6 CCCCON=O AMY4016 [0,0,1,0,0,0|3,0,0]=4 232 B6R0.6 CCOCCC#N AMY40959 [0,0,1,0,0,0|1,1,1]=4 233 B6R0.6 CCOCCCN AMY21920 [0,0,1,0,0,0|1,1,1]=4 234 B6R0.6 CCOCCCO AM20080058 [0,0,1,0,0,0|0,1,2]=4 235 B6R0.6 O=CCCCC=O AMY3308 [0,0,1,0,0,0|2,0,1]=4 236 B6R0.6 O=CCCCCCl AMY772 [0,0,1,0,0,0|2,0,0]=3 237 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,0,0,0,0,1|1,1,0]=3 238 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [0,0,0,0,0,1|1,1,0]=3 239 B8R1.4 CC1CC(Br)CCO1 AMY6009 [0,0,0,0,0,1|1,1,1]=4 240 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [0,0,0,0,0,1|1,1,1]=4 241 B8R1.4 CC1CC(N)CCN1 AMY19269 [0,0,0,0,0,1|2,0,1]=4 242 B8R1.4 CC1CC(N)CCO1 AMY5951 [0,0,0,0,0,1|1,1,1]=4 243 B8R1.4 CC1CC(N)CCO1 AMY5952 [0,0,0,0,0,1|1,1,1]=4 244 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,0,0,0,0,1|0,1,2]=4 245 B8R1.4 CC1CCCC(N)C1 AM20070507 [0,0,0,0,0,1|2,0,1]=4 246 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,0,0,0,0,1|2,0,0]=3 247 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.4 C[C@@H]1CN(C)CCN1 AMY38520 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,0,0,0,0,1|1,0,0]=2 250 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,0,0,0,0,1|1,0,0]=2 251 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,0,0,0,0,1|0,1,0]=2 252 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,0,0,0,0,1|1,0,0]=2 253 B8R1.4 C[C@H]1CN(C)CCN1 AM100533 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.4 C[C@H]1CN(C)CCN1 AMY24173 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.4 C[C@H]1CN(C)CCN1 AMY5825 [0,0,0,0,0,1|3,0,0]=4 256 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,0,0,0,0,1|2,0,0]=3 257 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,0,0,0,0,1|2,0,1]=4 260 B8R1.4 O=C1CCCC(=O)N1 AMY400 [0,0,0,0,0,1|2,0,1]=4 261 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [0,0,0,0,0,1|2,0,1]=4 262 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.5 CC1=NCCCN1C AM20100127 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.5 CC1=NCCN=C1O AM87154 [0,0,0,0,0,1|1,0,2]=4 268 B8R1.5 CC1CCCCC1N AM804248 [0,0,0,0,0,1|2,0,1]=4 269 B8R1.5 CC1CCCNC1C AM81284 [0,0,0,0,0,1|2,0,1]=4 270 B8R1.5 CC1CNCCC1O AM10443 [0,0,0,0,0,1|1,0,2]=4 271 B8R1.5 CC1CNCCC1O AM803717 [0,0,0,0,0,1|1,0,2]=4 272 B8R1.5 CC1COCCC1N AM91481 [0,0,0,0,0,1|1,1,1]=4 273 B8R1.5 CC1COCCC1O AM101521 [0,0,0,0,0,1|0,1,2]=4 274 B8R1.5 CC1COCCC1S AM99651 [0,0,0,0,0,1|0,2,1]=4 275 B8R1.5 CN1CCNCC1=O AM20100457 [0,0,0,0,0,1|2,0,0]=3 276 B8R1.5 CN1CCNCC1=O AMY39473 [0,0,0,0,0,1|2,0,0]=3 277 B8R1.5 C[C@@H]1CNCCN1C AMY32368 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.5 C[C@@H]1CNCCN1C AMY34366 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,0,0,0,0,1|0,0,0]=1 280 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,0,0,0,0,1|1,0,0]=2 281 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,0,0,0,0,1|1,0,0]=2 282 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,0,0,0,0,1|1,0,0]=2 283 B8R1.5 C[C@H]1CNCCN1C AMY34386 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.5 C[C@H]1CNCCN1C AMY39146 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,0,0,0,0,1|0,1,0]=2 286 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,0,0,0,0,1|2,0,0]=3 287 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,0,0,0,0,1|2,0,0]=3 288 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,0,0,0,0,1|2,0,0]=3 289 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,0,0,0,0,1|2,0,0]=3 290 B8R1.5 O=C1CCCCC1=O AM20070526 [0,0,0,0,0,1|2,0,1]=4 291 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,0,0,0,0,1|2,0,0]=3 292 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,0,0,0,0,1|2,0,0]=3 293 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,0,0,0,0,1|2,0,0]=3 294 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,0,0,0,0,1|2,0,0]=3 295 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,0,0,0,0,1|2,0,0]=3 296 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,0,0,0,0,1|1,1,0]=3 297 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,0,0,0,0,1|1,1,0]=3 298 B5R0.1 C=C(C)CCBr AMY7022 [1,0,1,0,0,0|2,0,0]=4 299 B5R0.1 C=CCC(C)=O AMY31929 [1,0,1,0,0,0|1,0,1]=4 300 B5R0.1 CC(=O)CC#N AM86800 [1,0,1,0,0,0|1,0,1]=4 301 B5R0.1 CC(=O)CC#N AMY7035 [1,0,1,0,0,0|1,0,1]=4 302 B5R0.1 CC(=O)CCO AMY31061 [1,0,1,0,0,0|0,1,0]=3 303 B5R0.1 CC(=O)OCCl AMY28690 [1,0,1,0,0,0|2,0,0]=4 304 B5R0.1 CCCC(C)=O AMY25524 [1,0,1,0,0,0|1,0,0]=3 305 B5R0.1 CCC[C@H](C)N AMY12548 [1,0,1,0,0,0|1,0,1]=4 306 B5R0.1 CCNC(C)C AMY13342 [1,0,1,0,0,0|1,0,1]=4 307 B5R0.1 CCSC(C)=S AM90236 [1,0,1,0,0,0|0,1,1]=4 308 B5R0.1 CNCC(=O)O AM20080021 [1,0,1,0,0,0|2,0,0]=4 309 B5R0.1 CNCC(C)=O AM806508 [1,0,1,0,0,0|1,0,0]=3 310 B5R0.1 CNCC(N)=O AM82642 [1,0,1,0,0,0|2,0,0]=4 311 B5R0.1 COCC(=O)Cl AMY40728 [1,0,1,0,0,0|1,1,0]=4 312 B5R0.1 COCC(=O)O AMY4059 [1,0,1,0,0,0|1,1,0]=4 313 B5R0.1 CSCC(N)=O AMY10906 [1,0,1,0,0,0|1,0,0]=3 314 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,1,0,0,0|1,0,1]=4 315 B5R0.1 NCCC(=O)O AM20080020 [1,0,1,0,0,0|2,0,0]=4 316 B5R0.1 NCCC(=O)O AMY22128 [1,0,1,0,0,0|2,0,0]=4 317 B5R0.1 NCCC(N)=O AM20100576 [1,0,1,0,0,0|2,0,0]=4 318 B5R0.1 NCCC(N)=O AMY6958 [1,0,1,0,0,0|2,0,0]=4 319 B5R0.1 O=C(Cl)CCBr AM90184 [1,0,1,0,0,0|2,0,0]=4 320 B5R0.1 O=C(O)CCBr AM20100434 [1,0,1,0,0,0|2,0,0]=4 321 B5R0.1 O=C(O)CCF AM803932 [1,0,1,0,0,0|2,0,0]=4 322 B5R0.1 O=C(O)CCO AM85796 [1,0,1,0,0,0|1,1,0]=4 323 B5R0.1 O=C(O)CCS AMY27767 [1,0,1,0,0,0|1,0,0]=3 324 B5R0.2 C#CCCCC AMY1242 [1,0,1,0,0,0|1,0,1]=4 325 B5R0.2 C=CCCCBr AM20080066 [1,0,1,0,0,0|2,0,0]=4 326 B5R0.2 C=CCCCO AMY41353 [1,0,1,0,0,0|2,0,0]=4 327 B5R0.2 CCCCCBr AMY9378 [1,0,1,0,0,0|1,0,1]=4 328 B5R0.2 CCCCCC AMY22305 [1,0,1,0,0,0|1,0,1]=4 329 B5R0.2 CCCCCN AMY21878 [1,0,1,0,0,0|1,0,1]=4 330 B5R0.2 CCCCCS AMY19243 [1,0,1,0,0,0|0,0,1]=3 331 B5R0.2 CCCCNN AMY202003284 [1,0,1,0,0,0|2,0,0]=4 332 B5R0.2 CCCNCC AMY13343 [1,0,1,0,0,0|1,0,1]=4 333 B5R0.2 CSCCCCl AMY744 [1,0,1,0,0,0|1,0,1]=4 334 B5R0.2 N#CCCC=O AMY9205 [1,0,1,0,0,0|1,0,1]=4 335 B5R0.2 O=CCCC=O AMY18777 [1,0,1,0,0,0|1,0,1]=4 336 B5R0.3 C=C[C@@H](O)CC AMY851 [1,0,1,0,0,0|2,0,0]=4 337 B5R0.3 CCC(=O)CC AMY11060 [1,0,1,0,0,0|0,0,0]=2 338 B5R0.3 CCC(=O)OC AMY21940 [1,0,1,0,0,0|1,0,0]=3 339 B5R0.3 CCC(N)CC AMY4054 [1,0,1,0,0,0|1,0,1]=4 340 B5R0.3 CCN(C)CC AMY13336 [1,0,1,0,0,0|2,0,0]=4 341 B5R0.3 CCN(O)CC AMY25658 [1,0,1,0,0,0|1,0,1]=4 342 B5R0.3 CC[C@H](C)CBr AMY28688 [1,0,1,0,0,0|1,0,1]=4 343 B5R0.3 CC[C@H](C)NN AM803011 [1,0,1,0,0,0|2,0,0]=4 344 B5R0.3 CC[C@H](C)NN AM9772 [1,0,1,0,0,0|2,0,0]=4 345 B5R0.3 COC(=O)CF AM20100155 [1,0,1,0,0,0|2,0,0]=4 346 B5R0.3 COC(=O)CN AM81785 [1,0,1,0,0,0|2,0,0]=4 347 B5R0.3 COC(=O)OC AMY37165 [1,0,1,0,0,0|2,0,0]=4 348 B5R0.3 O=C(CBr)CBr AM85919 [1,0,1,0,0,0|2,0,0]=4 349 B5R0.3 O=C(CO)CBr AMY19754 [1,0,1,0,0,0|1,1,0]=4 350 B5R0.5 CC(=O)C(C)C AMY11021 [1,0,1,0,0,0|0,0,0]=2 351 B5R0.5 CC(=O)C(F)F AMY6800 [1,0,1,0,0,0|2,0,0]=4 352 B5R0.5 CC(=O)C(O)O AMY25827 [1,0,1,0,0,0|1,1,0]=4 353 B5R0.5 CC(=O)[C@H](C)F AMY5968 [1,0,1,0,0,0|1,0,0]=3 354 B5R0.5 CC(C)N(C)C AMY13340 [1,0,1,0,0,0|2,0,0]=4 355 B5R0.5 CC(C)[C@@H](C)N AMY22001 [1,0,1,0,0,0|1,0,1]=4 356 B5R0.5 CC(C)[C@H](C)N AMY14243 [1,0,1,0,0,0|1,0,1]=4 357 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [1,0,1,0,0,0|2,0,0]=4 358 B5R0.5 CC(O)C(=O)[O-] AMY37027 [1,0,1,0,0,0|1,1,0]=4 359 B5R0.5 C[C@H](Br)C(=O)O AM81431 [1,0,1,0,0,0|2,0,0]=4 360 B5R0.5 C[C@H](Br)C(=O)O AM81432 [1,0,1,0,0,0|2,0,0]=4 361 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [1,0,1,0,0,0|2,0,0]=4 362 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [1,0,1,0,0,0|2,0,0]=4 363 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [1,0,1,0,0,0|2,0,0]=4 364 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [1,0,1,0,0,0|2,0,0]=4 365 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [1,0,1,0,0,0|2,0,0]=4 366 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [1,0,1,0,0,0|2,0,0]=4 367 B5R0.5 C[C@H](F)C(=O)O AMY5967 [1,0,1,0,0,0|2,0,0]=4 368 B5R0.5 C[C@H](N)C(=O)O AM20090411 [1,0,1,0,0,0|2,0,0]=4 369 B5R0.5 C[C@H](N)C(=O)O AM20090517 [1,0,1,0,0,0|2,0,0]=4 370 B5R0.5 C[C@H](N)C(=O)O AM20100374 [1,0,1,0,0,0|2,0,0]=4 371 B5R0.5 C[C@H](N)C(N)=O AM20090503 [1,0,1,0,0,0|2,0,0]=4 372 B5R0.5 C[C@H](N)C(N)=O AM81484 [1,0,1,0,0,0|2,0,0]=4 373 B5R0.5 C[C@H](O)C(=O)O AM87208 [1,0,1,0,0,0|1,1,0]=4 374 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [1,0,1,0,0,0|1,1,0]=4 375 B5R1.1 C1=CCNC1 AM20100570 [2,0,0,0,0,0|1,0,1]=4 376 B5R1.1 C1=CCNC1 AM9928 [2,0,0,0,0,0|1,0,1]=4 377 B5R1.1 C1=CCOC1 AM81814 [2,0,0,0,0,0|0,1,1]=4 378 B5R1.1 C1=CNCC1 AMY6075 [2,0,0,0,0,0|1,0,1]=4 379 B5R1.1 C1CCNC1 AMY10044 [2,0,0,0,0,0|1,0,1]=4 380 B5R1.1 C1CCOC1 AMY11079 [2,0,0,0,0,0|0,1,1]=4 381 B5R1.1 C1CCOC1 AMY14809 [2,0,0,0,0,0|0,1,1]=4 382 B5R1.1 C1CCOC1 AMY14877 [2,0,0,0,0,0|0,1,1]=4 383 B5R1.1 C1COCN1 AMY42397 [2,0,0,0,0,0|1,1,0]=4 384 B5R1.1 C1CSCN1 AMY40189 [2,0,0,0,0,0|1,0,0]=3 385 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,1,0,0,0|0,1,1]=4 386 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,1,1,0,0,0|0,1,1]=4 387 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,1,1,0,0,0|0,1,1]=4 388 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,1,1,0,0,0|1,1,0]=4 389 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,1,1,0,0,0|1,1,0]=4 390 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,1,1,0,0,0|1,1,0]=4 391 B7R0.3 CCCOC(=O)CC AMY21939 [0,1,1,0,0,0|1,0,0]=3 392 B7R0.3 CNCCC(=O)OC AMY4326 [0,1,1,0,0,0|2,0,0]=4 393 B7R0.3 COC(=O)CCC=O AM20080287 [0,1,1,0,0,0|1,1,0]=4 394 B7R0.3 COC(=O)CCCN AM803145 [0,1,1,0,0,0|2,0,0]=4 395 B7R0.3 COC(=O)CCCS AMY40461 [0,1,1,0,0,0|1,0,0]=3 396 B7R0.3 [C-]#[N+]CCC(=O)OC AMY21714 [0,1,1,0,0,0|2,0,0]=4 397 B7R0.5 CC(C)C(=O)CC#N AM20090390 [0,1,1,0,0,0|1,0,1]=4 398 B7R0.5 CC(C)C(=O)OCCl AMY4056 [0,1,1,0,0,0|2,0,0]=4 399 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [0,1,1,0,0,0|2,0,0]=4 400 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [0,1,1,0,0,0|2,0,0]=4 401 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [0,1,1,0,0,0|2,0,0]=4 402 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [0,1,1,0,0,0|2,0,0]=4 403 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [0,1,1,0,0,0|2,0,0]=4 404 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,1,1,0,0,0|2,0,0]=4 405 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,1,1,0,0,0|2,0,0]=4 406 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,1,1,0,0,0|2,0,0]=4 407 B7R0.7 C=CCC(=O)OCC AMY30553 [0,1,1,0,0,0|1,0,1]=4 408 B7R0.7 CCCC(=O)CCC AMY3807 [0,1,1,0,0,0|1,0,0]=3 409 B7R0.7 CCNC(=O)NCC AMY25735 [0,1,1,0,0,0|2,0,0]=4 410 B7R0.7 CCOC(=O)CC=O AMY18659 [0,1,1,0,0,0|0,1,1]=4 411 B7R0.7 CCOC(=O)CCN AM803889 [0,1,1,0,0,0|1,0,0]=3 412 B7R0.7 CCOC(=O)CCO AMY20483 [0,1,1,0,0,0|0,1,0]=3 413 B7R0.7 CCOC(=O)CNC AM82644 [0,1,1,0,0,0|2,0,0]=4 414 B7R0.7 CCOC(=O)CNC AMY3815 [0,1,1,0,0,0|2,0,0]=4 415 B7R0.7 CCOC(=O)CNN AM20100649 [0,1,1,0,0,0|2,0,0]=4 416 B7R0.7 CCOC(=O)COC AMY3969 [0,1,1,0,0,0|2,0,0]=4 417 B7R0.7 CCOC(=O)CSC AMY33462 [0,1,1,0,0,0|2,0,0]=4 418 B7R0.7 CCOC(=O)OCC AMY11101 [0,1,1,0,0,0|2,0,0]=4 419 B7R0.7 CCOC(=O)OCCl AMY14438 [0,1,1,0,0,0|2,0,0]=4 420 B7R0.7 O=C(CCCl)CCCl AMY9352 [0,1,1,0,0,0|1,0,0]=3 421 B7R0.7 [C-]#[N+]CC(=O)OCC AMY403 [0,1,1,0,0,0|2,0,0]=4 422 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [0,1,1,0,0,0|2,0,0]=4 423 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [0,1,1,0,0,0|2,0,0]=4 424 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [0,1,1,0,0,0|2,0,0]=4 425 B7R0.10 CNC(=O)[C@@H](N)CO AM86003 [0,1,1,0,0,0|1,1,0]=4 426 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [0,1,1,0,0,0|2,0,0]=4 427 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [0,1,1,0,0,0|1,1,0]=4 428 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [0,1,1,0,0,0|1,1,0]=4 429 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [0,1,1,0,0,0|1,1,0]=4 430 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [0,1,1,0,0,0|1,1,0]=4 431 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [0,1,1,0,0,0|1,1,0]=4 432 B7R0.10 COC(=O)[C@@H](N)CS AM20090085 [0,1,1,0,0,0|1,0,0]=3 433 B7R0.10 COC(=O)[C@@H](N)CS AM20100664 [0,1,1,0,0,0|1,0,0]=3 434 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [0,1,1,0,0,0|1,1,0]=4 435 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [0,1,1,0,0,0|1,1,0]=4 436 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [0,1,1,0,0,0|2,0,0]=4 437 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [0,1,1,0,0,0|1,1,0]=4 438 B7R0.13 CCC(C)(C)C(=O)Cl AMY25715 [0,1,1,0,0,0|2,0,0]=4 439 B7R0.13 CC[C@@](C)(N)C(=O)O AM10160 [0,1,1,0,0,0|2,0,0]=4 440 B7R0.13 CC[C@](C)(N)C(=O)O AM10150 [0,1,1,0,0,0|2,0,0]=4 441 B7R0.13 CC[C@](C)(N)C(=O)O AM85837 [0,1,1,0,0,0|2,0,0]=4 442 B7R0.14 CCC(=O)C(F)(F)F AMY1237 [0,1,1,0,0,0|2,0,0]=4 443 B7R0.14 COC(=O)C(C)(Br)Br AMY36996 [0,1,1,0,0,0|2,0,0]=4 444 B7R0.14 COC(=O)C(C)(C)N AM20080383 [0,1,1,0,0,0|2,0,0]=4 445 B7R0.15 CCC(CC)C(=O)[O-] AMY41123 [0,1,1,0,0,0|2,0,0]=4 446 B7R0.15 CC[C@H](NC)C(=O)O AM9485 [0,1,1,0,0,0|2,0,0]=4 447 B7R0.15 CN[C@@H](CO)C(=O)O AM9151 [0,1,1,0,0,0|2,0,0]=4 448 B7R0.15 CN[C@@H](CO)C(=O)O AM9254 [0,1,1,0,0,0|2,0,0]=4 449 B7R0.15 CN[C@@H](CS)C(=O)O AM9159 [0,1,1,0,0,0|2,0,0]=4 450 B7R0.15 CN[C@@H](CS)C(=O)O AM9312 [0,1,1,0,0,0|2,0,0]=4 451 B7R0.16 CC(=O)C(Cl)C(C)=O AMY3866 [0,1,1,0,0,0|2,0,0]=4 452 B7R0.16 CC(=O)N(C)C(C)=O AM20080061 [0,1,1,0,0,0|2,0,0]=4 453 B7R0.1 C=CCCCCC=O AMY2455 [0,1,1,0,0,0|1,0,1]=4 454 B7R0.1 C=CCCCCCCl AM85971 [0,1,1,0,0,0|2,0,0]=4 455 B7R0.1 C=CCCCCCO AMY7500 [0,1,1,0,0,0|2,0,0]=4 456 B7R0.1 C=CCCCCNC AMY41147 [0,1,1,0,0,0|2,0,0]=4 457 B7R0.1 CCCCCON=O AMY3989 [0,1,1,0,0,0|2,0,0]=4 458 B7R0.1 N#CCCSCCO AMY25176 [0,1,1,0,0,0|1,0,1]=4 459 B7R0.4 CC(=O)CCCCCl AM90172 [0,1,1,0,0,0|2,0,0]=4 460 B7R0.4 CCCCOC(C)=O AMY11075 [0,1,1,0,0,0|2,0,0]=4 461 B7R0.4 CCCOCC(=O)O AMY4018 [0,1,1,0,0,0|2,0,0]=4 462 B7R0.4 CNCCCC(=O)O AMY5046 [0,1,1,0,0,0|2,0,0]=4 463 B7R0.4 NCCCCC(=O)O AM82459 [0,1,1,0,0,0|2,0,0]=4 464 B7R0.4 NCCCCC(=O)O AMY39227 [0,1,1,0,0,0|2,0,0]=4 465 B7R0.4 O=C(Cl)CCCCBr AM85775 [0,1,1,0,0,0|2,0,0]=4 466 B7R0.4 O=C(Cl)CCCCCl AMY12305 [0,1,1,0,0,0|2,0,0]=4 467 B7R0.4 O=C(O)CCCCBr AM85660 [0,1,1,0,0,0|2,0,0]=4 468 B7R0.4 O=C(O)CCCCCl AMY40897 [0,1,1,0,0,0|2,0,0]=4 469 B7R1.1 BrCC1CCCC1 AMY6992 [1,1,0,0,0,0|1,0,1]=4 470 B7R1.1 BrCC1OCCO1 AMY39416 [1,1,0,0,0,0|1,1,0]=4 471 B7R1.1 BrC[C@H]1CCCN1 AM100802 [1,1,0,0,0,0|1,0,1]=4 472 B7R1.1 BrC[C@H]1CCCN1 AM102098 [1,1,0,0,0,0|1,0,1]=4 473 B7R1.1 BrC[C@H]1CCCN1 AM93871 [1,1,0,0,0,0|1,0,1]=4 474 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [1,1,0,0,0,0|0,1,1]=4 475 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [1,1,0,0,0,0|1,0,1]=4 476 B7R1.1 CC[C@H]1CCCN1 AMY37675 [1,1,0,0,0,0|1,0,1]=4 477 B7R1.1 CNC1CCCC1 AMY10584 [1,1,0,0,0,0|1,0,1]=4 478 B7R1.1 CSC1=NCCS1 AM832 [1,1,0,0,0,0|1,0,1]=4 479 B7R1.1 CSC1=NCCS1 AMY22060 [1,1,0,0,0,0|1,0,1]=4 480 B7R1.1 ClC[C@H]1CCCN1 AM100703 [1,1,0,0,0,0|1,0,1]=4 481 B7R1.1 ClC[C@H]1CCCN1 AM100886 [1,1,0,0,0,0|1,0,1]=4 482 B7R1.1 ClC[C@H]1CCCN1 AM100930 [1,1,0,0,0,0|1,0,1]=4 483 B7R1.1 FC[C@H]1CCCN1 AM20110257 [1,1,0,0,0,0|1,0,1]=4 484 B7R1.1 IC[C@H]1CCCN1 AM100991 [1,1,0,0,0,0|1,0,1]=4 485 B7R1.1 IC[C@H]1CCCN1 AM92918 [1,1,0,0,0,0|1,0,1]=4 486 B7R1.1 IC[C@H]1CCCN1 AM96723 [1,1,0,0,0,0|1,0,1]=4 487 B7R1.1 N#C[C@@H]1CCCS1 AM806595 [1,1,0,0,0,0|0,0,2]=4 488 B7R1.1 NCC1CCCC1 AM20100430 [1,1,0,0,0,0|1,0,1]=4 489 B7R1.1 NCC1CCCC1 AM804123 [1,1,0,0,0,0|1,0,1]=4 490 B7R1.1 NC[C@H]1CCCN1 AM20100417 [1,1,0,0,0,0|1,0,1]=4 491 B7R1.1 NC[C@H]1CCCN1 AMY5139 [1,1,0,0,0,0|1,0,1]=4 492 B7R1.1 NC[C@H]1CCCO1 AM81808 [1,1,0,0,0,0|0,1,1]=4 493 B7R1.1 NC[C@H]1CCCO1 AM81809 [1,1,0,0,0,0|0,1,1]=4 494 B7R1.1 O=CC1=CCCC1 AMY30885 [1,1,0,0,0,0|1,0,1]=4 495 B7R1.1 O=CC1CCCC1 AM83284 [1,1,0,0,0,0|1,0,1]=4 496 B7R1.1 O=CN1CCCC1 AMY24174 [1,1,0,0,0,0|2,0,0]=4 497 B7R1.1 O=C[C@H]1CCNC1 AM101346 [1,1,0,0,0,0|1,0,1]=4 498 B7R1.1 O=C[C@H]1CCNC1 AM94342 [1,1,0,0,0,0|1,0,1]=4 499 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [1,1,0,0,0,0|0,1,1]=4 500 B7R1.1 OCC1CCCC1 AM20090579 [1,1,0,0,0,0|1,0,1]=4 501 B7R1.1 OCC1OCCO1 AMY35660 [1,1,0,0,0,0|1,1,0]=4 502 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [1,1,0,0,0,0|0,1,1]=4 503 B7R1.1 OC[C@H]1CCCN1 AM20100639 [1,1,0,0,0,0|1,0,1]=4 504 B7R1.1 OC[C@H]1CCCN1 AM803960 [1,1,0,0,0,0|1,0,1]=4 505 B7R1.1 OC[C@H]1CCCN1 AM82208 [1,1,0,0,0,0|1,0,1]=4 506 B7R1.1 OC[C@H]1CCCO1 AM81815 [1,1,0,0,0,0|0,1,1]=4 507 B7R1.1 OC[C@H]1CCCO1 AMY19266 [1,1,0,0,0,0|0,1,1]=4 508 B7R1.1 ON=C1CCCC1 AM20080131 [1,1,0,0,0,0|1,0,1]=4 509 B7R1.2 CN1CCC(=O)C1 AM20100632 [1,1,0,0,0,0|1,0,0]=3 510 B7R1.2 CN1CCC(=O)C1 AMY25051 [1,1,0,0,0,0|1,0,0]=3 511 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [1,1,0,0,0,0|2,0,0]=4 512 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [1,1,0,0,0,0|1,0,1]=4 513 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [1,1,0,0,0,0|2,0,0]=4 514 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [1,1,0,0,0,0|1,0,1]=4 515 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [1,1,0,0,0,0|1,0,0]=3 516 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [1,1,0,0,0,0|2,0,0]=4 517 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [1,1,0,0,0,0|1,0,1]=4 518 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [1,1,0,0,0,0|2,0,0]=4 519 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [1,1,0,0,0,0|1,0,1]=4 520 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [1,1,0,0,0,0|1,0,1]=4 521 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [1,1,0,0,0,0|1,0,1]=4 522 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [1,1,0,0,0,0|1,0,1]=4 523 B7R1.2 NC1=NC(=O)CS1 AMY31386 [1,1,0,0,0,0|1,0,1]=4 524 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [1,1,0,0,0,0|2,0,0]=4 525 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [1,1,0,0,0,0|2,0,0]=4 526 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [1,1,0,0,0,0|2,0,0]=4 527 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [1,1,0,0,0,0|1,0,1]=4 528 B7R1.2 O=C1CCC(=O)C1 AM20100026 [1,1,0,0,0,0|1,0,0]=3 529 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [1,1,0,0,0,0|1,0,0]=3 530 B7R1.2 O=C1CNC(=O)C1 AM20120511 [1,1,0,0,0,0|1,0,1]=4 531 B7R1.2 O=C1CSC(=O)N1 AM20090236 [1,1,0,0,0,0|1,0,1]=4 532 B7R1.2 O=C1CSC(=S)N1 AMY21863 [1,1,0,0,0,0|1,0,1]=4 533 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [1,1,0,0,0,0|2,0,0]=4 534 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [1,1,0,0,0,0|2,0,0]=4 535 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [1,1,0,0,0,0|2,0,0]=4 536 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [1,1,0,0,0,0|2,0,0]=4 537 B7R1.14 CC1(C)CCCN1 AM804148 [1,1,0,0,0,0|1,0,1]=4 538 B7R1.14 CC1(C)CCCN1 AMY17888 [1,1,0,0,0,0|1,0,1]=4 539 B7R1.14 CC1(C)NCCO1 AMY42458 [1,1,0,0,0,0|1,1,0]=4 540 B7R1.14 CC1(C)NCCS1 AMY2745 [1,1,0,0,0,0|1,0,0]=3 541 B7R1.14 CC1(N)CCCC1 AM808157 [1,1,0,0,0,0|1,0,1]=4 542 B7R1.14 CC1(O)CCCC1 AMY25573 [1,1,0,0,0,0|1,0,1]=4 543 B7R1.14 O=S1(=O)CCCC1 AMY33385 [1,1,0,0,0,0|2,0,0]=4 544 B7R1.8 NCC1CCC1F AMY35801 [0,1,0,0,1,0|1,0,1]=4 545 B7R1.17 O=C1CCC1(F)F AMY42507 [0,1,0,0,1,0|1,0,0]=3 546 B9R1.2 NC[C@H]1CCNC(=O)C1 AM803060 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.2 O=C1CCC[C@@H](CO)N1 AMY16344 [0,1,0,0,0,1|1,0,0]=3 548 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [0,1,0,0,0,1|1,0,0]=3 549 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16343 [0,1,0,0,0,1|1,0,0]=3 550 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16345 [0,1,0,0,0,1|1,0,0]=3 551 B9R1.2 O=C1COC[C@H](CO)N1 AMY21702 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.3 CC1OCCC(=O)C1C AMY6076 [0,1,0,0,0,1|0,1,0]=3 553 B9R1.34 CC1CC(=O)CC(=O)C1 AMY3042 [0,1,0,0,0,1|1,0,1]=4 554 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 AMY35788 [0,1,0,0,0,1|0,1,0]=3 555 B9R1.66 CC1(C)CC(=O)CCO1 AM20080139 [0,1,0,0,0,1|0,1,0]=3 556 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [0,1,0,0,0,1|1,0,0]=3 557 B9R1.66 CC1(C)CCNC(=O)C1 AM90109 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.66 C[C@]1(O)CCOC(=O)C1 AMY10735 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.69 CC1CC(=O)CCC1O AM806654 [0,1,0,0,0,1|1,0,0]=3 560 B9R1.15 CO[C@H]1CCCNC1=O AM20090301 [0,1,0,0,0,1|1,0,0]=3 561 B9R1.15 CO[C@H]1COCCC1=O AMY33743 [0,1,0,0,0,1|0,1,0]=3 562 B9R1.15 N#C[C@H]1CNCCC1=O AMY33722 [0,1,0,0,0,1|1,0,1]=4 563 B9R1.15 O=C[C@@H]1CCCCC1=O AM9963 [0,1,0,0,0,1|1,0,1]=4 564 B9R1.40 CC1(C)CNCCC1=O AMY37722 [0,1,0,0,0,1|1,0,0]=3 565 B9R1.40 CC1(C)COCCC1=O AMY6085 [0,1,0,0,0,1|0,1,0]=3 566 B9R1.40 CC1(C)NCCNC1=O AM20090220 [0,1,0,0,0,1|1,0,0]=3 567 B9R1.40 O=C1CCNCC1(F)F AMY14717 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.22 CCN1C[C@@H](N)CC1=O AMY19565 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.33 NCCN1CCCC1=O AMY19233 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.33 O=C1CCCN1CCBr AM20210013 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.23 CN1C[C@@H](CN)CC1=O AMY33766 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.23 CN1C[C@@H](CO)CC1=O AMY34896 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.36 C[C@@H]1SC(C)(C)OC1=O AM1095 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.37 CN1C(=O)C[C@@H](O)C1=O AMY30561 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.37 CN1C(=O)C[C@H](N)C1=O AMY34809 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.37 CN1C(=O)C[C@H](O)C1=O AMY30562 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.37 CN1C(=O)C[C@H](O)C1=O AMY30563 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.38 CC1(C)NC(=O)CC1=O AM806683 [0,2,0,0,0,0|1,0,1]=4 579 B7R1.3 C=C1CCCCC1 AMY736 [0,0,1,1,0,0|2,0,0]=4 580 B7R1.3 C=C1CCNCC1 AMY5962 [0,0,1,1,0,0|2,0,0]=4 581 B7R1.3 C=C1CCNCC1 AMY6101 [0,0,1,1,0,0|2,0,0]=4 582 B7R1.3 C=C1CCNCC1 AMY6167 [0,0,1,1,0,0|2,0,0]=4 583 B7R1.3 C=C1CCOCC1 AMY34984 [0,0,1,1,0,0|1,1,0]=4 584 B7R1.3 CC1SCCCS1 AMY24701 [0,0,1,1,0,0|2,0,0]=4 585 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,0,1,1,0,0|1,1,0]=4 586 B7R1.3 NC1CCSCC1 AMY32230 [0,0,1,1,0,0|1,0,1]=4 587 B7R1.3 NC1CCSCC1 AMY3238 [0,0,1,1,0,0|1,0,1]=4 588 B7R1.3 O=C1CCCCN1 AM20100626 [0,0,1,1,0,0|2,0,0]=4 589 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,1,1,0,0|2,0,0]=4 590 B7R1.3 O=C1CCCNC1 AM81341 [0,0,1,1,0,0|2,0,0]=4 591 B7R1.3 O=C1CCCOC1 AM20090251 [0,0,1,1,0,0|2,0,0]=4 592 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,1,1,0,0|2,0,0]=4 593 B7R1.3 O=C1CCNCC1 AM100807 [0,0,1,1,0,0|1,0,0]=3 594 B7R1.3 O=C1CCNCC1 AM20100060 [0,0,1,1,0,0|1,0,0]=3 595 B7R1.3 O=C1CCNCC1 AM803879 [0,0,1,1,0,0|1,0,0]=3 596 B7R1.3 O=C1CCOCC1 AM20090400 [0,0,1,1,0,0|0,1,0]=3 597 B7R1.3 O=C1CCSCC1 AM20080026 [0,0,1,1,0,0|0,0,0]=2 598 B7R1.3 O=S1CCOCC1 AMY42358 [0,0,1,1,0,0|1,1,0]=4 599 B7R1.3 OC1CCSCC1 AMY37357 [0,0,1,1,0,0|0,0,2]=4 600 B7R1.10 O=CC1CC(F)C1 AM85365 [0,0,1,1,0,0|2,0,0]=4 601 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,0,1,1,0,0|1,0,0]=3 602 B7R1.22 COC(=O)C1CC1 AM20090368 [0,0,1,1,0,0|2,0,0]=4 603 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [0,0,1,1,0,0|2,0,0]=4 604 B7R1.22 COC(=O)[C@@H]1CO1 AMY42223 [0,0,1,1,0,0|1,1,0]=4 605 B7R1.22 COC(=O)[C@H]1CO1 AMY31968 [0,0,1,1,0,0|1,1,0]=4 606 B7R1.22 O=C(CBr)C1CC1 AM87146 [0,0,1,1,0,0|2,0,0]=4 607 B7R1.25 CC1(C=O)COC1 AM20020058 [0,0,1,1,0,0|2,0,0]=4 608 B7R1.12 CC1CC1C(=O)O AM803649 [0,0,1,1,0,0|2,0,0]=4 609 B7R1.12 CC1CC1C(N)=O AMY5644 [0,0,1,1,0,0|2,0,0]=4 610 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,0,1,1,0,0|2,0,0]=4 611 B7R1.18 NC(=O)C1CCC1 AMY32785 [0,0,1,1,0,0|2,0,0]=4 612 B7R1.18 NC(=O)[C@@H]1CCN1 AMY38555 [0,0,1,1,0,0|2,0,0]=4 613 B7R1.18 O=C(O)C1CCC1 AM62800 [0,0,1,1,0,0|2,0,0]=4 614 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [0,0,1,1,0,0|2,0,0]=4 615 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [0,0,1,1,0,0|2,0,0]=4 616 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [0,0,1,1,0,0|2,0,0]=4 617 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [0,0,1,1,0,0|1,1,0]=4 618 B7R1.19 CC(=O)C1(C)CC1 AMY37296 [0,0,1,1,0,0|1,0,0]=3 619 B7R1.19 CC(=O)C1(Cl)CC1 AMY11210 [0,0,1,1,0,0|2,0,0]=4 620 B7R1.19 CC1(C(=O)O)CC1 AM804235 [0,0,1,1,0,0|2,0,0]=4 621 B7R2.11 C1NC2CC1C2 AM803737 [1,0,0,1,0,0|1,0,1]=4 622 B7R2.11 C1NC2CC1C2 AMY33557 [1,0,0,1,0,0|1,0,1]=4 623 B7R2.13 C1CC2CC2N1 AM803615 [1,0,0,1,0,0|1,0,1]=4 624 B7R2.8 NC1C2CC1C2 AMY14673 [0,0,0,1,1,0|1,0,1]=4 625 B9R2.39 O=C1CC2CCC1C2 AMY10402 [0,0,0,1,0,1|1,0,0]=3 626 B9R2.39 O=C1CN2CCC1C2 AM20080170 [0,0,0,1,0,1|2,0,0]=4 627 B9R2.39 O=C1CN2CCC1C2 AM20090192 [0,0,0,1,0,1|2,0,0]=4 628 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 AM20080220 [0,0,0,1,0,1|1,0,1]=4 629 B9R2.19 O=C1NCC2CC1N2 AM806533 [0,0,0,1,0,1|1,0,0]=3 630 B5R1.2 BrC1CCC1 AM803913 [1,0,0,0,1,0|1,0,1]=4 631 B5R1.2 CC1CNC1 AM20120351 [1,0,0,0,1,0|1,0,1]=4 632 B5R1.2 C[C@H]1CCN1 AM806564 [1,0,0,0,1,0|1,0,0]=3 633 B5R1.2 ClC1CCC1 AMY6175 [1,0,0,0,1,0|1,0,1]=4 634 B5R1.2 IC1CCC1 AMY6180 [1,0,0,0,1,0|1,0,1]=4 635 B5R1.2 NC1CCC1 AMY2668 [1,0,0,0,1,0|1,0,1]=4 636 B5R1.2 NC1CCC1 AMY6177 [1,0,0,0,1,0|1,0,1]=4 637 B5R1.2 NC1CSC1 AM20120367 [1,0,0,0,1,0|1,0,1]=4 638 B5R1.2 N[C@@H]1CCO1 AMY1804 [1,0,0,0,1,0|1,1,0]=4 639 B5R1.2 O=C1CCC1 AM20070575 [1,0,0,0,1,0|0,0,0]=2 640 B5R1.2 O=C1CCN1 AMY18291 [1,0,0,0,1,0|1,0,0]=3 641 B5R1.2 O=C1CCO1 AM20020040 [1,0,0,0,1,0|0,1,0]=3 642 B5R1.2 O=C1CNC1 AM20090048 [1,0,0,0,1,0|1,0,0]=3 643 B5R1.2 O=C1CNC1 AM20100329 [1,0,0,0,1,0|1,0,0]=3 644 B5R1.2 O=C1COC1 AM20020042 [1,0,0,0,1,0|0,1,0]=3 645 B5R1.2 O=C1CSC1 AM20090216 [1,0,0,0,1,0|0,0,0]=2 646 B5R1.2 OC1CCC1 AM803645 [1,0,0,0,1,0|0,0,2]=4 647 B5R1.2 OC1CSC1 AMY35636 [1,0,0,0,1,0|0,0,2]=4 648 B5R1.4 CC1CC1N AM806543 [0,0,0,0,2,0|1,0,1]=4 649 B5R1.4 CC1CC1N AM806563 [0,0,0,0,2,0|1,0,1]=4 650 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [0,0,0,0,2,0|1,0,1]=4 651 B9R1.49 CN1CCCC(=O)CC1 AM20090140 [0,0,0,0,0,2|2,0,0]=4 652 B9R1.5 CN1CCCNCC1=O AM20100475 [0,0,0,0,0,2|2,0,0]=4 653 B9R1.5 CN1CCCNCC1=O AMY15722 [0,0,0,0,0,2|2,0,0]=4 654 B9R1.5 N[C@@H]1CCCCNC1=O AMY3925 [0,0,0,0,0,2|2,0,0]=4 655 B9R1.5 N[C@H]1CCCCNC1=O AM20090060 [0,0,0,0,0,2|2,0,0]=4 656 B9R1.5 N[C@H]1CCCCNC1=O AM803517 [0,0,0,0,0,2|2,0,0]=4