0 B6R0.6 BrCCCCCBr AMY11214 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCOCCO AMY28705 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C=CCCCCO AM20100796 [0,0,0,0,0,0|0,0,4]=4 3 B6R0.6 CCCCCCC AMY22304 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 CCCCCCN AMY21942 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.6 CCCCNCC AMY3985 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 CCCCON=O AMY4016 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 CCOCCCN AMY21920 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 CCOCCCO AM20080058 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.6 CCOCOCC AMY25683 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 COCCCCBr AMY9376 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 COCCCCO AM20080057 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.6 C\C=C\CCCO AMY2616 [0,0,0,0,0,0|0,0,4]=4 13 B6R0.6 ClCCNCCCl AM20100797 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 ClCCOCCCl AMY9389 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 FCCCCCBr AM20100088 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.6 NCCCCCN AM61576 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.6 NCCNCCCl AMY10888 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 NCCOCCN AMY7556 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 NCCOCCO AMY18064 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.6 OCCCCCBr AM20090543 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.6 OCCOCCBr AMY4498 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.6 OCCOCCCl AMY9387 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.2 BrCCCCBr AM20080049 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 C#CCCCC AMY1242 [1,0,0,0,0,0|0,0,3]=4 25 B5R0.2 C=CCCCBr AM20080066 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.2 C=CCCCO AMY41353 [1,0,0,0,0,0|0,0,3]=4 27 B5R0.2 CCC#CCO AMY1239 [1,0,0,0,0,0|0,0,2]=3 28 B5R0.2 CCCCCBr AMY9378 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.2 CCCCCC AMY22305 [1,0,0,0,0,0|0,0,2]=3 30 B5R0.2 CCCCCN AMY21878 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.2 CCCCCS AMY19243 [1,0,0,0,0,0|0,1,1]=3 32 B5R0.2 CCCCNN AMY202003284 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 CCCNCC AMY13343 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.2 CCO\C=C/Br AM806384 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.2 CNCCCN AM20100546 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 CNCCNC AM86300 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 COCCCBr AM20090592 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 COCCCCl AMY25654 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 COCCCN AMY21871 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.2 COCCCN AMY38449 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 COCCCO AM20080231 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.2 COCCOC AMY25530 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 CSCCCCl AMY744 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 ClCCCCI AMY2538 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 ClCCOCCl AMY38249 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 ClC\C=C\CCl AMY2667 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 NCCCCCl AMY15236 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 NCCCCN AM20090504 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 NCCCCO AMY17788 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.2 NOC\C=C\Cl AM90386 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 OC\C=C\CCl AMY768 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.1 BrCCCCCCBr AMY11215 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.1 C#CCCCCCC AMY25742 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.1 C=CCCCCCO AMY7500 [0,1,0,0,0,0|0,0,3]=4 55 B7R0.1 ClCCCCCCCl AM84762 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.1 N#CCCSCCO AMY25176 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.1 NCCCCCCO AMY18359 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.1 NCCCCCCS AMY32225 [0,1,0,0,0,0|0,1,2]=4 59 B7R0.1 NCCCNCCBr AM20090252 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.1 OCCCCCCBr AMY2822 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.1 OCCCCCCCl AMY25606 [0,1,0,0,0,0|0,0,2]=3 62 B7R0.1 OCCCNCCO AMY15136 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.1 OCCCOCCCl AM806608 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.3 C=CC(=O)NCCC AMY39214 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.3 CCCCC(=O)NN AMY3964 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,1,0,0,0,0|0,0,2]=3 67 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,1,0,0,0,0|0,0,2]=3 68 B7R0.3 CCCOC(=O)CC AMY21939 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.3 CCOC[C@@H](O)CO AMY318 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.3 COC(=O)\C=C\CBr AMY14793 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.3 OCCC[C@H](O)CO AMY202100026 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.4 CC(C)NCCCO AMY41464 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.4 CCCCC[C@@H](C)O AMY25723 [0,1,0,0,0,0|0,0,2]=3 74 B7R0.4 CCCCC[C@H](C)N AMY3809 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.4 CCCOCC(=O)O AMY4018 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.4 CCC\C=C\[N+](=O)[O-] AMY23948 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.4 CCO\C=C\C(=O)Cl AMY22514 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.4 CCO\C=C\C(=O)O AMY9262 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.4 CN(C)CCCCO AMY9644 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.4 C[C@H](O)CNCCO AM807035 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.7 C=C(OCC)OCC AM9861 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.7 CCCC(=O)CCC AMY3807 [0,1,0,0,0,0|1,0,1]=3 83 B7R0.7 CCCC(N)CCC AMY3864 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.7 CCCC(O)CCC AMY23531 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,1,0,0,0,0|0,0,2]=3 86 B7R0.7 CCNC(=O)NCC AMY25735 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.7 CCOC(=O)CCN AM803889 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.7 CCOC(=O)CCO AMY20483 [0,1,0,0,0,0|1,0,1]=3 89 B7R0.7 CCOC(=O)CNC AM82644 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.7 CCOC(=O)CNC AMY3815 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.7 CCOC(=O)COC AMY3969 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.7 CCOC(=O)CSC AMY33462 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.7 CCOC(=O)OCC AMY11101 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.7 CCOC(=O)OCCl AMY14438 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.7 CCOC(=O)\C=C/N AM87196 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.7 CCOC(=O)\C=C\I AM805822 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.7 O=C(CCCl)CCCl AMY9352 [0,1,0,0,0,0|2,0,1]=4 99 B7R1.1 BrCC1=CC=NO1 AM804245 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.1 BrCC1CCCC1 AMY6992 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.1 BrCC1OCCO1 AMY39416 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.1 CCC1=CC=CS1 AM20110253 [0,0,0,1,0,0|0,1,2]=4 107 B7R1.1 CCC1=NCCO1 AM84318 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.1 CCN1C=CC=N1 AM20090357 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.1 ClCC1=CC=CO1 AMY26896 [0,0,0,1,0,0|1,0,2]=4 114 B7R1.1 ClCC1=NCCN1 AMY745 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.1 ClCN1C=NCC1 AMY24330 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.1 NCC1=CC=NO1 AM20120499 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.1 NCC1CCCC1 AM20100430 [0,0,0,1,0,0|1,0,2]=4 125 B7R1.1 NCC1CCCC1 AM804123 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,0,0,1,0,0|1,0,2]=4 129 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,0,0,1,0,0|1,0,2]=4 130 B7R1.1 O=CC1=CCCC1 AMY30885 [0,0,0,1,0,0|0,0,2]=3 131 B7R1.1 OCC1=CC=CN1 AMY19087 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.1 OCC1=CC=CO1 AM81811 [0,0,0,1,0,0|1,0,2]=4 133 B7R1.1 OCC1=CC=CS1 AM804174 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.1 OCC1=CC=NO1 AM20120507 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.1 OCC1=CN=CN1 AM804377 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.1 OCC1=CN=CO1 AM86088 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.1 OCC1=CN=CS1 AM20100025 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.1 OCC1=CNC=N1 AM20090479 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.1 OCC1=CNN=C1 AMY5501 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.1 OCC1=COC=C1 AM85772 [0,0,0,1,0,0|1,0,2]=4 141 B7R1.1 OCC1=COC=N1 AM20080403 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.1 OCC1=CSC=C1 AMY17815 [0,0,0,1,0,0|1,0,2]=4 143 B7R1.1 OCC1=CSC=N1 AM20100663 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.1 OCC1=NNC=C1 AM20090254 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.1 OCC1=NNC=C1 AMY29121 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.1 OCC1=NOC=C1 AMY37652 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 OCC1CCCC1 AM20090579 [0,0,0,1,0,0|0,0,2]=3 148 B7R1.1 OCC1OCCO1 AMY35660 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,0,0,1,0,0|1,0,1]=3 150 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,0,0,1,0,0|1,0,1]=3 151 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,0,0,1,0,0|1,0,1]=3 152 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,0,0,1,0,0|1,0,1]=3 153 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,0,0,1,0,0|1,0,1]=3 154 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,0,0,1,0,0|1,0,1]=3 155 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,0,0,1,0,0|1,0,2]=4 156 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,0,0,1,0,0|1,0,2]=4 159 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,0,0,1,0,0|1,0,2]=4 160 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.1 ON=C1CCCC1 AM20080131 [0,0,0,1,0,0|1,0,1]=3 162 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,0,1,0,0|1,0,2]=4 163 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 CC1=COCCC1 AMY6007 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 CC1CCNCC1 AMY23280 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.3 CC1CCOCC1 AMY6168 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,0,0,1,0,0|1,0,1]=3 171 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,0,0,1,0,0|0,0,2]=3 173 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,1,0,0|1,0,2]=4 175 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,0,0,1,0,0|1,0,1]=3 182 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,0,0,1,0,0|1,0,1]=3 183 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,0,0,1,0,0|1,0,1]=3 184 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,0,0,1,0,0|1,0,1]=3 185 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.3 C[C@H]1COCCN1 AM803755 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.3 C[C@H]1COCCN1 AM804311 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.3 C[C@H]1COCCN1 AM806455 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,0,1,0,0|1,0,2]=4 191 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,1,0,0|1,0,2]=4 192 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,1,0,0|1,0,2]=4 199 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.3 O=C1C=CCCN1 AMY9701 [0,0,0,1,0,0|1,0,2]=4 210 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,0,1,0,0|1,0,2]=4 211 B7R1.3 OC1CCNCC1 AM20100322 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.3 OC1CCNCC1 AMY24233 [0,0,0,1,0,0|1,0,2]=4 213 B7R1.3 OC1CCOCC1 AM20090170 [0,0,0,1,0,0|1,0,2]=4 214 B7R1.3 OC1CCSCC1 AMY37357 [0,0,0,1,0,0|1,0,2]=4 215 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,0,0,1,0,0|0,0,0]=1 216 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,0,0,1,0,0|1,0,1]=3 217 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,0,0,1,0,0|1,0,1]=3 219 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,0,0,1,0,0|1,0,1]=3 220 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,0,0,1,0,0|1,0,1]=3 221 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,0,0,1,0,0|1,0,1]=3 222 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,0,0,1,0,0|1,0,1]=3 223 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,0,0,1,0,0|1,0,1]=3 224 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,1,0,0|0,1,2]=4 225 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,0,0,1,0,0|1,1,1]=4 226 B7R1.4 CC1CNCC1O AM806548 [0,0,0,1,0,0|1,0,1]=3 227 B7R1.4 CN1N=CC=C1O AM20090516 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.4 NC1CCCC1O AMY1026 [0,0,0,1,0,0|1,0,2]=4 229 B7R1.4 NC1COCC1O AM803216 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,0,0,1,0,0|1,0,2]=4 231 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,0,0,1,0,0|1,0,2]=4 232 B7R1.4 N[C@@H]1COC[C@H]1O AMY34430 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,0,0,1,0,0|1,0,2]=4 234 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,0,0,1,0,0|1,0,2]=4 235 B7R1.4 N[C@H]1COC[C@@H]1O AMY34415 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,0,0,1,0,0|1,0,2]=4 237 B7R1.4 O[C@H]1CNC[C@@H]1F AMY34432 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.4 O[C@H]1CNC[C@@H]1O AMY19214 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.4 O[C@H]1CNC[C@@H]1O AMY6780 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.4 O[C@H]1CNC[C@H]1F AMY35198 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.4 O[C@H]1CNC[C@H]1O AMY16905 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.4 O[C@H]1COC[C@H]1O AMY16786 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.6 N#CC=C1CNC1 AMY7873 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.6 N#CC=C1COC1 AM20020006 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.6 NCCC1CCC1 AMY34747 [0,0,0,1,0,0|1,0,2]=4 246 B7R1.6 NCCN1CCC1 AMY34670 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.6 O=CC=C1COC1 AMY32069 [0,0,0,1,0,0|1,0,2]=4 248 B7R1.6 OCCC1CCC1 AM807009 [0,0,0,1,0,0|0,0,2]=3 249 B7R1.6 OCCC1COC1 AMY19718 [0,0,0,1,0,0|1,0,2]=4 250 B7R1.6 OCCN1CCC1 AM806453 [0,0,0,1,0,0|1,0,1]=3 251 B7R1.6 OCCN1CCC1 AMY37413 [0,0,0,1,0,0|1,0,1]=3 252 B7R1.7 CCOC[C@H]1CO1 AM20100065 [0,0,0,1,0,0|1,0,2]=4 253 B7R1.7 OCC#CC1CC1 AMY34844 [0,0,0,1,0,0|0,0,2]=3 254 B7R1.9 NC[C@@H]1C[C@H]1CO AMY37214 [0,0,0,1,0,0|1,0,2]=4 255 B7R1.24 C1CNCCNC1 AM100887 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.24 C1CNCCOC1 AM20090058 [0,0,0,1,0,0|1,0,1]=3 257 B4R0.2 BrCCCBr AMY25527 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.2 C=CCCCl AMY11185 [2,0,0,0,0,0|1,0,0]=3 259 B4R0.2 C=CCCO AMY14291 [2,0,0,0,0,0|1,0,0]=3 260 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,0]=3 261 B4R0.2 C=CCNN AM806419 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.2 C=CCOC AM20100534 [2,0,0,0,0,0|1,0,0]=3 263 B4R0.2 C=CCON AM90375 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.2 CC#CCO AMY19259 [2,0,0,0,0,0|0,0,2]=4 265 B4R0.2 CCCCN AMY21914 [2,0,0,0,0,0|1,0,0]=3 266 B4R0.2 CCCNN AM9771 [2,0,0,0,0,0|2,0,0]=4 267 B4R0.2 CCNCC AMY25752 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.2 CCPCC AMY11725 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.2 CC\C=C\Br AMY796 [2,0,0,0,0,0|1,0,0]=3 270 B4R0.2 CNCCCl AM803928 [2,0,0,0,0,0|2,0,0]=4 271 B4R0.2 CNCCF AMY202003232 [2,0,0,0,0,0|2,0,0]=4 272 B4R0.2 CNCCO AMY32697 [2,0,0,0,0,0|1,0,0]=3 273 B4R0.2 COCCCl AMY25739 [2,0,0,0,0,0|2,0,0]=4 274 B4R0.2 COCCN AM808206 [2,0,0,0,0,0|2,0,0]=4 275 B4R0.2 CSCCCl AMY15533 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.2 CSCCN AMY33509 [2,0,0,0,0,0|2,0,0]=4 277 B4R0.2 CSCCO AMY19250 [2,0,0,0,0,0|1,0,0]=3 278 B4R0.2 C\C=C\CCl AMY618 [2,0,0,0,0,0|1,0,0]=3 279 B4R0.2 C\C=C\CO AMY21936 [2,0,0,0,0,0|0,0,0]=2 280 B4R0.2 ClCCCBr AMY40180 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.2 ClCCCCl AMY22013 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.2 ClCCCI AMY25762 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.2 FCCCBr AMY28674 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.2 NCCCBr AM20100225 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.2 NCCCN AMY21886 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.2 NNCCO AM20080045 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.2 OCCCBr AM20100533 [2,0,0,0,0,0|1,0,0]=3 288 B4R0.2 OCCCCl AMY9478 [2,0,0,0,0,0|1,0,0]=3 289 B4R0.2 OCCCF AM1014 [2,0,0,0,0,0|1,0,0]=3 290 B4R0.2 SCCCBr AM806637 [2,0,0,0,0,0|1,1,0]=4 291 B4R0.2 [Li]CCCC AMY14790 [2,0,0,0,0,0|1,0,0]=3 292 B6R0.1 C=CC(=O)NCC AMY36703 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.1 C=CC(=O)OCC AMY40211 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.1 CCNC(=O)CCl AM802871 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.1 CCNC(=O)NC AM85700 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.1 CCOC(=N)CCl AMY15738 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.1 CCOC(=O)CBr AM20070701 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.1 CCOC(=O)CC AMY21941 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.1 CCOC(=O)CN AM81786 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.1 CCOC(=O)NC AMY3767 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.1 CC\C=C(/C)C=O AMY2564 [1,1,0,0,0,0|0,0,2]=4 302 B6R0.1 CNCC(=O)OC AM82645 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.1 COC(=O)CCBr AMY21872 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.1 COC(=O)CCN AM20090461 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.1 COC(=O)CCO AM85845 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.1 COC(=O)CSC AMY10908 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.1 COCC(=O)OC AMY4063 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.1 C[C@@H](CO)CCO AMY37668 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.1 C[C@H](CO)CCO AMY37676 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.1 C\C=C\C(=O)OC AMY15442 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.1 O=C(CCl)CCCl AM9592 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.1 OCC[C@H](O)CO AMY14876 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.1 OCC[C@H](O)CO AMY6061 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.4 CC(=O)NCCN AMY40665 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.4 CC(C)CCCO AMY39142 [1,1,0,0,0,0|0,0,1]=3 316 B6R0.4 CCCCC(=O)[O-] AMY026 [1,1,0,0,0,0|0,0,2]=4 317 B6R0.4 CCCCN(C)C AMY25818 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.4 CCCOC(=O)Cl AMY3779 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.4 CCOCC(=O)O AMY4062 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.4 CCSCC(=O)O AM20100532 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.4 CNCCC(=O)O AM84855 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.4 CNCCC(C)C AMY37348 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.4 CNCCC(C)C AMY37370 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.4 COCCC(=O)O AMY2689 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.4 C[C@H](Br)CCCBr AMY2526 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.4 NCCCC(=O)O AM20100372 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.4 O=C(O)CCCS AM20080221 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.4 O=C(O)\C=C\CBr AMY7050 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.4 OB(O)\C=C\CCl AMY1186 [1,1,0,0,0,0|2,0,0]=4 330 B8R0.1 CCCC[C@H](N)CCO AM20080107 [0,2,0,0,0,0|0,0,2]=4 331 B8R0.1 CCOC(=O)CCCBr AM84904 [0,2,0,0,0,0|2,0,0]=4 332 B8R0.1 CCOC(=O)CCCN AM808169 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.1 CCOC(=O)CCCO AMY4323 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.1 CCOC(=O)\C=C\CBr AMF0008 [0,2,0,0,0,0|1,0,1]=4 335 B8R0.1 CCOCC(=O)OCC AMY4116 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.4 CC\C=C/CCOC=O AM806738 [0,2,0,0,0,0|0,0,2]=4 337 B8R0.4 COCCNCCCO AMY15137 [0,2,0,0,0,0|0,0,2]=4 338 B8R0.4 COCCNCCOC AMY734 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.4 NCCCCCCCO AMY18876 [0,2,0,0,0,0|0,0,2]=4 340 B8R0.4 NCCCCNCCO AMY30916 [0,2,0,0,0,0|0,0,2]=4 341 B8R0.4 OCCCCCCCBr AM20070667 [0,2,0,0,0,0|0,0,2]=4 342 B8R0.4 OCCCCCCCO AMY22642 [0,2,0,0,0,0|0,0,2]=4 343 B8R0.4 OCCCNCCCO AMY202100020 [0,2,0,0,0,0|0,0,2]=4 344 B8R0.6 C#C[C@@H](O)CCCCC AMY17779 [0,2,0,0,0,0|0,0,2]=4 345 B8R0.6 C#C[C@@H](O)CCCCC AMY20014 [0,2,0,0,0,0|0,0,2]=4 346 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [0,2,0,0,0,0|0,0,2]=4 347 B8R0.6 CCCCNC(=O)CCl AM20100314 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.7 CC(C)NCCCCO AMY10379 [0,2,0,0,0,0|0,0,2]=4 349 B8R0.7 CCCCCCB(O)O AMY30011 [0,2,0,0,0,0|0,0,2]=4 350 B8R0.7 CCCCCCC(=O)O AMY41347 [0,2,0,0,0,0|0,0,2]=4 351 B8R0.3 C=C(CBr)C(=O)OCC AMY39543 [0,2,0,0,0,0|2,0,0]=4 352 B8R0.3 CCOC(=O)C(=O)CBr AMY866 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.3 CCOC(=O)[C@@H](N)CO AM82214 [0,2,0,0,0,0|1,0,1]=4 355 B8R0.3 CCOC(=O)[C@@H](N)CO AM82215 [0,2,0,0,0,0|1,0,1]=4 356 B8R0.3 CCOC(=O)\C(Cl)=N\O AM20080328 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.3 CCOC(=O)\C(N)=N\O AMY42392 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [0,2,0,0,0,0|0,0,2]=4 359 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [0,2,0,0,0,0|1,0,1]=4 360 B8R0.11 CCCCC(CO)CO AMY15528 [0,2,0,0,0,0|0,0,2]=4 361 B8R0.11 CCCCN(CO)CO AMY31437 [0,2,0,0,0,0|1,0,1]=4 362 B8R0.11 CCCC[C@H](CC)CO AMY11009 [0,2,0,0,0,0|0,0,2]=4 363 B8R0.5 CCOC(=O)C[C@H](C)Br AM9919 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.5 CCOC(=O)C[C@H](C)N AMY314 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.28 CC(=O)C\C=C\C(=O)O AMY24785 [0,2,0,0,0,0|0,0,2]=4 366 B8R0.28 CC(O)CNCC(C)O AMY25531 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.28 CN(C)C\C=C\C(=O)O AM20120398 [0,2,0,0,0,0|1,0,1]=4 368 B6R1.1 C1=CCC=CC1 AM20100536 [1,0,0,1,0,0|0,0,2]=4 369 B6R1.1 C1=CCCC=C1 AM806998 [1,0,0,1,0,0|0,0,2]=4 370 B6R1.1 C1=CCCCC1 AMY17792 [1,0,0,1,0,0|0,0,0]=2 371 B6R1.1 C1=CCNCC1 AMY5955 [1,0,0,1,0,0|1,0,0]=3 372 B6R1.1 C1=CCOCC1 AM9907 [1,0,0,1,0,0|0,0,0]=2 373 B6R1.1 C1=CCSCC1 AMY37369 [1,0,0,1,0,0|0,1,0]=3 374 B6R1.1 C1=COCCC1 AMY39440 [1,0,0,1,0,0|0,0,0]=2 375 B6R1.1 C1=NCCCN1 AMY22014 [1,0,0,1,0,0|2,0,0]=4 376 B6R1.1 C1CCCCC1 AMY11047 [1,0,0,1,0,0|0,0,2]=4 377 B6R1.1 C1CCNCC1 AMY40816 [1,0,0,1,0,0|1,0,1]=4 378 B6R1.1 C1CCNNC1 AMY19957 [1,0,0,1,0,0|2,0,0]=4 379 B6R1.1 C1CCOCC1 AMY8873 [1,0,0,1,0,0|0,0,1]=3 380 B6R1.1 C1CCONC1 AM804032 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.1 C1CCONC1 AMY42463 [1,0,0,1,0,0|1,0,1]=4 382 B6R1.1 C1CNCOC1 AMY28616 [1,0,0,1,0,0|1,0,0]=3 383 B6R1.1 C1COCCN1 AMY14878 [1,0,0,1,0,0|1,0,1]=4 384 B6R1.1 C1COCCN1 AMY22834 [1,0,0,1,0,0|1,0,1]=4 385 B6R1.1 C1COCCN1 AMY721 [1,0,0,1,0,0|1,0,1]=4 386 B6R1.1 C1COCCO1 AMY33329 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.1 C1CSCCO1 AMY25585 [1,0,0,1,0,0|1,0,1]=4 388 B6R1.2 BrC1=CCCC1 AMY38286 [1,0,0,1,0,0|1,0,0]=3 389 B6R1.2 BrC1CCCC1 AM20080273 [1,0,0,1,0,0|1,0,1]=4 390 B6R1.2 CC1=CC=CO1 AMY11051 [1,0,0,1,0,0|0,0,2]=4 391 B6R1.2 CC1=CC=NO1 AM20100414 [1,0,0,1,0,0|1,0,1]=4 392 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,1,0,0|0,0,0]=2 393 B6R1.2 CC1=NC=CO1 AMY24088 [1,0,0,1,0,0|1,0,1]=4 394 B6R1.2 CC1=NCCC1 AMY886 [1,0,0,1,0,0|1,0,0]=3 395 B6R1.2 CC1=NCCS1 AMY23228 [1,0,0,1,0,0|2,0,0]=4 396 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,1,0,0|0,0,2]=4 397 B6R1.2 CN1CCCC1 AMY25542 [1,0,0,1,0,0|1,0,1]=4 398 B6R1.2 C[C@@H]1CCNC1 AMY37511 [1,0,0,1,0,0|1,0,1]=4 399 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,1,0,0|1,0,1]=4 400 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,1,0,0|1,0,1]=4 401 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,1,0,0|1,0,1]=4 402 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,1,0,0|1,0,1]=4 403 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,1,0,0|1,0,1]=4 404 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,1,0,0|0,0,1]=3 405 B6R1.2 C[C@H]1CCNC1 AM803039 [1,0,0,1,0,0|1,0,1]=4 406 B6R1.2 C[C@H]1CCNC1 AM803735 [1,0,0,1,0,0|1,0,1]=4 407 B6R1.2 C[C@H]1CCNC1 AMY37562 [1,0,0,1,0,0|1,0,1]=4 408 B6R1.2 ClC1CCCC1 AMY22306 [1,0,0,1,0,0|1,0,1]=4 409 B6R1.2 IC1CCCC1 AMY3844 [1,0,0,1,0,0|1,0,1]=4 410 B6R1.2 N=C1CCCC1 AMY39966 [1,0,0,1,0,0|1,0,1]=4 411 B6R1.2 NC1CC=CC1 AM20120323 [1,0,0,1,0,0|1,0,0]=3 412 B6R1.2 NC1CCCC1 AMY3757 [1,0,0,1,0,0|1,0,1]=4 413 B6R1.2 N[C@@H]1CCCN1 AMY9118 [1,0,0,1,0,0|2,0,0]=4 414 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,1,0,0|0,0,2]=4 415 B6R1.2 O=C1C=CCO1 AM20100212 [1,0,0,1,0,0|1,0,1]=4 416 B6R1.2 O=C1CCCC1 AMY37126 [1,0,0,1,0,0|0,0,2]=4 417 B6R1.2 O=C1CCCN1 AMY25506 [1,0,0,1,0,0|1,0,1]=4 418 B6R1.2 OC1CC=CC1 AMY9178 [1,0,0,1,0,0|1,0,0]=3 419 B6R1.2 OC1CCCC1 AMY3616 [1,0,0,1,0,0|0,0,1]=3 420 B6R1.2 O[C@@H]1CCCO1 AMY20193 [1,0,0,1,0,0|1,0,0]=3 421 B6R1.2 O[C@@H]1CCNO1 AMY37646 [1,0,0,1,0,0|2,0,0]=4 422 B6R1.2 O[C@H]1CCNC1 AM20070695 [1,0,0,1,0,0|1,0,1]=4 423 B6R1.2 O[C@H]1CCNC1 AM20080166 [1,0,0,1,0,0|1,0,1]=4 424 B6R1.2 O[C@H]1CCNC1 AM20090354 [1,0,0,1,0,0|1,0,1]=4 425 B6R1.2 O[C@H]1CCNC1 AM20100082 [1,0,0,1,0,0|1,0,1]=4 426 B6R1.2 O[C@H]1CCNC1 AM90404 [1,0,0,1,0,0|1,0,1]=4 427 B6R1.2 O[C@H]1CCNO1 AMY37647 [1,0,0,1,0,0|2,0,0]=4 428 B6R1.2 O[C@H]1CCOC1 AM20100156 [1,0,0,1,0,0|1,0,1]=4 429 B6R1.2 O[C@H]1CCOC1 AM20110236 [1,0,0,1,0,0|1,0,1]=4 430 B6R1.2 O[C@H]1CCOC1 AM20110237 [1,0,0,1,0,0|1,0,1]=4 431 B6R1.2 O[C@H]1CCSC1 AM20090505 [1,0,0,1,0,0|1,0,1]=4 432 B6R1.3 BrCCC1CC1 AMY202003230 [1,0,0,1,0,0|1,0,1]=4 433 B6R1.3 BrCC[C@H]1CO1 AMY20094 [1,0,0,1,0,0|1,0,1]=4 434 B6R1.3 CNCC1CC1 AM803431 [1,0,0,1,0,0|1,0,1]=4 435 B6R1.3 CNCC1CC1 AMY34463 [1,0,0,1,0,0|1,0,1]=4 436 B6R1.3 COC[C@H]1CO1 AM20120337 [1,0,0,1,0,0|1,0,1]=4 437 B6R1.3 ICCC1CC1 AMY34362 [1,0,0,1,0,0|1,0,1]=4 438 B6R1.3 NCCC1CC1 AMY39140 [1,0,0,1,0,0|1,0,1]=4 439 B6R1.3 NCCC1CC1 AMY4139 [1,0,0,1,0,0|1,0,1]=4 440 B6R1.3 O=CNC1CC1 AM804092 [1,0,0,1,0,0|1,0,1]=4 441 B6R1.3 OCCC1CC1 AMY3915 [1,0,0,1,0,0|0,0,1]=3 442 B6R1.6 BrCC1CCC1 AM20070598 [1,0,0,1,0,0|1,0,1]=4 443 B6R1.6 BrC[C@H]1CCO1 AM20020056 [1,0,0,1,0,0|1,0,1]=4 444 B6R1.6 ClCC1CCC1 AMY31015 [1,0,0,1,0,0|1,0,1]=4 445 B6R1.6 ClC[C@H]1CCO1 AM807017 [1,0,0,1,0,0|1,0,1]=4 446 B6R1.6 ICC1CCC1 AMY34464 [1,0,0,1,0,0|1,0,1]=4 447 B6R1.6 IC[C@H]1CCO1 AM20020012 [1,0,0,1,0,0|1,0,1]=4 448 B6R1.6 NCC1CCC1 AM20070613 [1,0,0,1,0,0|1,0,1]=4 449 B6R1.6 NC[C@H]1CCO1 AM20020052 [1,0,0,1,0,0|1,0,1]=4 450 B6R1.6 O=CC1CCC1 AM90197 [1,0,0,1,0,0|0,0,2]=4 451 B6R1.6 OCC1CCC1 AM90211 [1,0,0,1,0,0|0,0,1]=3 452 B6R1.6 OCC1CNC1 AM20120333 [1,0,0,1,0,0|1,0,1]=4 453 B6R1.6 OCC1CNC1 AMY6173 [1,0,0,1,0,0|1,0,1]=4 454 B6R1.6 OCC1COC1 AM806983 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.6 OC[C@H]1CCO1 AM807004 [1,0,0,1,0,0|1,0,1]=4 456 B6R1.8 CC1CC1CN AM806562 [1,0,0,1,0,0|1,0,1]=4 457 B6R1.8 CC1CC1CO AM804126 [1,0,0,1,0,0|0,0,1]=3 458 B6R1.8 OC[C@@H]1C[C@@H]1F AMY5785 [1,0,0,1,0,0|1,0,1]=4 459 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,1,0,1,0,0|0,0,2]=4 460 B8R1.2 CC[C@@H]1COCCN1 AMY21373 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.2 CC[C@@H]1COCCN1 AMY21630 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,1,0,1,0,0|0,0,2]=4 463 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,1,0,1,0,0|0,0,2]=4 464 B8R1.2 CC[C@H]1COCCN1 AMY21416 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.2 CC[C@H]1COCCN1 AMY21733 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.2 COC1=CCOCC1 AMY33855 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.2 CO[C@H]1CCCNC1 AM101090 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.2 CO[C@H]1CCCNC1 AM101144 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.2 CO[C@H]1CCCNC1 AM101293 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.2 CO[C@H]1CCCNC1 AM10535 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.2 CO[C@H]1CCCNC1 AM20100081 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.2 ClC[C@@H]1CNCCO1 AM807060 [0,1,0,1,0,0|1,0,1]=4 473 B8R1.2 ClC[C@H]1CNCCO1 AM807061 [0,1,0,1,0,0|1,0,1]=4 474 B8R1.2 N#CC1=CCCCC1 AMY16356 [0,1,0,1,0,0|1,0,1]=4 475 B8R1.2 N#CC1=CCCCO1 AMY25029 [0,1,0,1,0,0|1,0,1]=4 476 B8R1.2 N#CC1=CCOCC1 AMY16164 [0,1,0,1,0,0|1,0,1]=4 477 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,1,0,1,0,0|0,0,2]=4 478 B8R1.2 NC[C@H]1CNCCO1 AM20080111 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.2 NC[C@H]1COCCO1 AM20120267 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.2 NOC1CCCCC1 AMY27644 [0,1,0,1,0,0|0,0,2]=4 481 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,1,0,1,0,0|0,0,2]=4 483 B8R1.2 O=CC1=CCCOC1 AM803164 [0,1,0,1,0,0|0,0,2]=4 484 B8R1.2 OCC1CCCCC1 AM20070443 [0,1,0,1,0,0|0,0,2]=4 485 B8R1.2 OCC1CCNCC1 AM20100583 [0,1,0,1,0,0|0,0,2]=4 486 B8R1.2 OCC1CCOCC1 AM20080366 [0,1,0,1,0,0|0,0,2]=4 487 B8R1.2 OCC1CCSCC1 AMY3090 [0,1,0,1,0,0|0,0,2]=4 488 B8R1.2 OC[C@@H]1CNCCO1 AMY21380 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.2 OC[C@@H]1CNCCO1 AMY21771 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.2 OC[C@@H]1COCCN1 AMY1881 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.2 OC[C@@H]1COCCN1 AMY2068 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.2 OC[C@H]1CCC=CO1 AMY22788 [0,1,0,1,0,0|0,0,2]=4 493 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [0,1,0,1,0,0|0,0,2]=4 494 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,1,0,1,0,0|0,0,2]=4 495 B8R1.2 OC[C@H]1CCCNC1 AM100839 [0,1,0,1,0,0|0,0,2]=4 496 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,1,0,1,0,0|0,0,2]=4 497 B8R1.2 OC[C@H]1CNCCN1 AM81378 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.2 OC[C@H]1CNCCN1 AMY14670 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.2 OC[C@H]1CNCCO1 AM20080410 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.2 OC[C@H]1CNCCO1 AM802856 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.2 OC[C@H]1CNCCO1 AMY21776 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.2 OC[C@H]1CNCCO1 AMY25031 [0,1,0,1,0,0|1,0,1]=4 503 B8R1.2 OC[C@H]1COCCN1 AM20080017 [0,1,0,1,0,0|1,0,1]=4 504 B8R1.2 OC[C@H]1COCCN1 AMY1905 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.2 OC[C@H]1COCCN1 AMY22661 [0,1,0,1,0,0|1,0,1]=4 506 B8R1.2 OC[C@H]1COCCN1 AMY25047 [0,1,0,1,0,0|1,0,1]=4 507 B8R1.2 OC[C@H]1COCCO1 AMY6751 [0,1,0,1,0,0|1,0,1]=4 508 B8R1.2 ON=C1CCOCC1 AMY19185 [0,1,0,1,0,0|1,0,1]=4 509 B8R1.2 ON=C1CCSCC1 AMY10286 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.5 CC1CNCCC1O AM10443 [0,1,0,1,0,0|0,0,2]=4 511 B8R1.5 CC1CNCCC1O AM803717 [0,1,0,1,0,0|0,0,2]=4 512 B8R1.5 CC1COCCC1O AM101521 [0,1,0,1,0,0|0,0,2]=4 513 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.5 NC1CCCCC1O AMY1039 [0,1,0,1,0,0|0,0,2]=4 515 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [0,1,0,1,0,0|0,0,2]=4 516 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [0,1,0,1,0,0|0,0,2]=4 517 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.5 N[C@@H]1CCOC[C@@H]1O AMY35197 [0,1,0,1,0,0|1,0,1]=4 519 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16937 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16938 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [0,1,0,1,0,0|0,0,2]=4 523 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [0,1,0,1,0,0|0,0,2]=4 524 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [0,1,0,1,0,0|0,0,2]=4 525 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [0,1,0,1,0,0|0,0,2]=4 526 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [0,1,0,1,0,0|0,0,2]=4 527 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16939 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16940 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.5 N[C@H]1CCOC[C@H]1O AMY35749 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.5 OC1CCNCC1O AMY19280 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [0,1,0,1,0,0|0,0,2]=4 536 B8R1.5 O[C@H]1CNCC[C@H]1O AMY34059 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.8 BrCCC1OCCO1 AM20090095 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.8 CCCC1=NC=CN1 AM20100251 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.8 CCCC1=NN=CO1 AM20080227 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.8 CCCC1=NNC=C1 AMY6454 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.8 CCCN1C=CN=C1 AMY8648 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.8 COC[C@H]1CCCN1 AM101258 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.8 COC[C@H]1CCCN1 AM20100559 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.8 COC[C@H]1CCCN1 AM81456 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.8 COC[C@H]1CCCN1 AM91166 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.8 NCCC1=CC=CO1 AM20080071 [0,1,0,1,0,0|0,0,2]=4 547 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,1,0,1,0,0|0,0,2]=4 548 B8R1.8 OCCC1CCCC1 AMY18681 [0,1,0,1,0,0|0,0,2]=4 549 B8R1.8 OCCN1CCCC1 AM20090391 [0,1,0,1,0,0|0,0,2]=4 550 B8R1.8 OCC[C@H]1CCCN1 AMY23861 [0,1,0,1,0,0|0,0,2]=4 551 B8R1.8 OCC[C@H]1CCNC1 AM100067 [0,1,0,1,0,0|0,0,2]=4 552 B8R1.8 OCC[C@H]1CCNC1 AM100173 [0,1,0,1,0,0|0,0,2]=4 553 B8R1.8 OCC[C@H]1CCNC1 AM20120341 [0,1,0,1,0,0|0,0,2]=4 554 B8R1.10 OCCCC1COC1 AMY19719 [0,1,0,1,0,0|0,0,2]=4 555 B8R1.10 OCCCN1CCC1 AMY37454 [0,1,0,1,0,0|0,0,2]=4 556 B8R1.11 CC1=C(CO)C=CO1 AMY41934 [0,1,0,1,0,0|0,0,2]=4 557 B8R1.11 CC1=C(CO)C=NO1 AM806531 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.11 CC1=C(CO)N=CN1 AM20100024 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.11 CC1=C(CO)N=CN1 AM803651 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.11 CC1=C(CO)OC=N1 AM20100164 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.11 CC1=C(CO)SC=C1 AM804179 [0,1,0,1,0,0|0,0,2]=4 562 B8R1.11 CCN1N=CC=C1O AMY32875 [0,1,0,1,0,0|1,0,1]=4 563 B8R1.11 CN1C=CC=C1CO AM100905 [0,1,0,1,0,0|0,0,2]=4 564 B8R1.11 CN1C=CN=C1CO AMY11863 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.11 CN1C=NC=C1CO AM803827 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,1,0,1,0,0|0,0,2]=4 567 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,1,0,1,0,0|0,0,2]=4 568 B8R1.11 CN1N=CC=C1CO AM80874 [0,1,0,1,0,0|1,0,1]=4 569 B8R1.11 CN1N=CN=C1CO AM20080534 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.11 CO[C@H]1CNC[C@@H]1O AMY35656 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.11 N#CC1=C(N)CCC1 AM84899 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.11 NC[C@H]1COC[C@@H]1O AMY35772 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.11 O=C1CCC=C1CO AMY2077 [0,1,0,1,0,0|0,0,1]=3 574 B8R1.11 O=C1NCC[C@@H]1CO AMY34785 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,1,0,1,0,0|0,0,2]=4 576 B8R1.22 O=C1CCCCCC1 AMY3995 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.22 O=C1CCCCCN1 AM802872 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.22 O=C1CCCNCC1 AM20100232 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.22 O=C1CNCCCN1 AM804637 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.22 OC1CNCCNC1 AM90255 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.22 O[C@H]1CCCNCC1 AM802973 [0,1,0,1,0,0|0,0,2]=4 582 B8R1.49 C1=CCCC=CCC1 AMY11686 [0,1,0,1,0,0|1,0,1]=4 583 B8R1.49 C1=CCCC=CCC1 AMY11690 [0,1,0,1,0,0|1,0,1]=4 584 B8R1.49 C1=CCCC=CCC1 AMY11752 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.49 C1=CCCC=CCC1 AMY19657 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.49 C1=CCCC=CCC1 AMY19664 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.49 C1=CCCC=CCC1 AMY19798 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.49 C1=CCCC=CCC1 AMY22290 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.49 C1=CCCCCC=C1 AMY19658 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.49 C1=CCCCCCC1 AMY11766 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.49 C1=CCCCCCC1 AMY19666 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.1 CC1=CC=C(CO)O1 AMY41923 [0,1,0,1,0,0|0,0,2]=4 593 B8R1.1 CC1=CC=C(CO)S1 AM804180 [0,1,0,1,0,0|0,0,2]=4 594 B8R1.1 CC1=NC(CO)=CO1 AMY15126 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.1 CC1=NC(CO)=CS1 AMY4969 [0,1,0,1,0,0|1,0,1]=4 596 B8R1.1 CC1=NC=C(CO)N1 AM806536 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.1 CC1=NC=C(CO)O1 AMY202003195 [0,1,0,1,0,0|1,0,1]=4 598 B8R1.1 CC1=NC=C(CO)S1 AM804044 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.1 CCC1=CC(N)=NO1 AM806538 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.1 CN1C=C(CO)C=N1 AM20080070 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.1 CN1C=CC(CO)=N1 AM804390 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 AMY33458 [0,1,0,1,0,0|0,0,2]=4 603 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 AMY14944 [0,1,0,1,0,0|0,0,2]=4 604 B8R1.1 O=C1C=C[C@@H](CO)O1 AMY42490 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 AMY202003270 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY13628 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY202003269 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.1 OC[C@H]1C[C@H](F)CN1 AMY202003253 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.3 CN1CC=C(Br)CC1 AMY5718 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,1,0,1,0,0|0,0,2]=4 612 B8R1.3 C[C@@H]1CC[C@H](O)CN1 AM806519 [0,1,0,1,0,0|1,0,1]=4 613 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AMY21745 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [0,1,0,1,0,0|0,0,2]=4 616 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806517 [0,1,0,1,0,0|1,0,1]=4 617 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806520 [0,1,0,1,0,0|1,0,1]=4 618 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.3 C[C@H]1CN[C@H](C)CO1 AMY202003216 [0,1,0,1,0,0|1,0,1]=4 620 B8R1.3 C[C@H]1CO[C@H](C)CN1 AMY202003196 [0,1,0,1,0,0|1,0,1]=4 621 B8R1.3 NC1CCC(O)CC1 AMY6164 [0,1,0,1,0,0|0,0,2]=4 622 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AM62718 [0,1,0,1,0,0|0,0,2]=4 623 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AMY35196 [0,1,0,1,0,0|0,0,2]=4 624 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070547 [0,1,0,1,0,0|0,0,2]=4 625 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070555 [0,1,0,1,0,0|0,0,2]=4 626 B8R1.38 N[C@@H](CO)C1CCC1 AM9072 [0,1,0,1,0,0|0,0,2]=4 627 B8R1.38 O=C(CBr)N1CCC1 AMY15408 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.38 O=C(CCl)N1CCC1 AM804165 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.40 O=C(CCl)NC1CC1 AM86723 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.52 C[C@@]1(CO)CCCN1 AMY34479 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.52 C[C@]1(CO)CCCN1 AMY34476 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.52 NC1(CO)CCCC1 AMY38194 [0,1,0,1,0,0|0,0,2]=4 633 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,1,0,0|0,0,1]=3 634 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [0,1,0,1,0,0|0,0,2]=4 635 B8R1.4 CC1CC(Br)CCO1 AMY6009 [0,1,0,1,0,0|0,0,2]=4 636 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [0,1,0,1,0,0|0,0,2]=4 637 B8R1.4 CC1CC(N)CCO1 AMY5951 [0,1,0,1,0,0|0,0,2]=4 638 B8R1.4 CC1CC(N)CCO1 AMY5952 [0,1,0,1,0,0|0,0,2]=4 639 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,1,0,1,0,0|0,0,2]=4 640 B8R1.4 CN1CCC[C@H](O)C1 AM100623 [0,1,0,1,0,0|1,0,1]=4 641 B8R1.4 CN1CCC[C@H](O)C1 AM101042 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 AMY19631 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,1,0,0|1,0,1]=4 644 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,1,0,0|1,0,1]=4 645 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,1,0,0|0,0,1]=3 646 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.4 C[C@H]1CNC[C@@H](C)O1 AM20100586 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.4 C[C@H]1CNC[C@H](C)O1 AMY202003227 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.4 NC1CCCC(O)C1 AM20070553 [0,1,0,1,0,0|0,0,2]=4 650 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AMY35651 [0,1,0,1,0,0|0,0,2]=4 651 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90249 [0,1,0,1,0,0|0,0,2]=4 652 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90265 [0,1,0,1,0,0|0,0,2]=4 653 B8R1.4 N[C@H]1CCC[C@@H](O)C1 AMY37601 [0,1,0,1,0,0|0,0,2]=4 654 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90267 [0,1,0,1,0,0|0,0,2]=4 655 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90268 [0,1,0,1,0,0|0,0,2]=4 656 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,1,0,0|1,0,1]=4 657 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.7 CC(C)C1=CC=CO1 AMY39189 [0,1,0,1,0,0|0,0,2]=4 660 B8R1.7 C[C@H](Cl)C1=CC=CO1 AM100959 [0,1,0,1,0,0|0,0,2]=4 661 B8R1.7 C[C@H](O)C1=CC=CO1 AM100808 [0,1,0,1,0,0|0,0,2]=4 662 B8R1.7 O=C(O)C1=CCCC1 AM20080408 [0,1,0,1,0,0|0,0,1]=3 663 B8R1.7 O=C(O)C1=CCNC1 AMY32011 [0,1,0,1,0,0|1,0,1]=4 664 B8R1.7 OB(O)C1=CCCC1 AMY982 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.34 O=C(O)C=C1CCC1 AMY33602 [0,1,0,1,0,0|0,0,1]=3 666 B8R1.35 O=C(O)\C=C\C1CC1 AMY34843 [0,1,0,1,0,0|0,0,1]=3 667 B8R1.72 CC1(C)CNCCO1 AM20080363 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.72 CC1(C)CNCCO1 AMY34686 [0,1,0,1,0,0|1,0,1]=4 669 B8R1.72 CC1(O)CCCCC1 AMY25717 [0,1,0,1,0,0|0,0,2]=4 670 B8R1.72 C[C@]1(O)CCCNC1 AM20100188 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.37 CCOC(=O)C1CC1 AMY3988 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.37 CCOC(=O)[C@@H]1CO1 AMY5207 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.37 CCOC(=O)[C@H]1CO1 AMY31967 [0,1,0,1,0,0|1,0,1]=4 674 B8R1.66 NC1(CCO)CCC1 AMY34656 [0,1,0,1,0,0|0,0,2]=4 675 B8R2.22 C1NC2COCC12 AM806551 [0,0,0,2,0,0|1,0,1]=4 676 B8R2.34 C1=CC2CC1CN2 AMY35181 [0,0,0,2,0,0|2,0,0]=4 677 B8R2.34 C1=CC2CCC1C2 AMY10401 [0,0,0,2,0,0|1,0,0]=3 678 B8R2.34 C1OC2CNC1C2 AMY33619 [0,0,0,2,0,0|1,0,1]=4 679 B8R2.34 C1O[C@@H]2CN[C@H]1C2 AM20120312 [0,0,0,2,0,0|1,0,1]=4 680 B8R2.34 C1O[C@H]2CN[C@@H]1C2 AMY202003237 [0,0,0,2,0,0|1,0,1]=4 681 B8R2.18 OC1CC2CC2C1 AMY26501 [0,0,0,2,0,0|0,0,2]=4 682 B8R2.23 C1NCC2CC1O2 AM10861 [0,0,0,2,0,0|1,0,1]=4 683 B8R2.23 C1NCC2CC1O2 AMY12205 [0,0,0,2,0,0|1,0,1]=4 684 B8R2.25 C1CC2OC2CO1 AMY11235 [0,0,0,2,0,0|1,0,1]=4