0 B7R0.3 C#CCCC(=O)OC DY424002 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 CCCCC(O)CO DY567525 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.3 CCCOC(C)CN DY605531 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 CCN(C)CCCO DY604490 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.3 CC\C=C\C(=O)OC DY741019 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.3 COC(=O)CCC#N DY553731 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.3 COC(=O)CCC=O DY21172 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.3 COC(=O)\C=C\CBr NO13509 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 COC(=O)\C=C\CN DY583653 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 COCC\C(N)=N\O DY610313 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.3 CO\C=C\C(=O)OC NO11630 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 NCC(Cl)CCCCl DY822547 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCCC(=O)NN NO22544 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CCCC(C)CBr DY112368 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CCCC(O)CO NO20495 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 CCNC(=O)CN DY461322 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCOC(=O)CC DY460554 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CCOC(=O)CN DY700831 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CCOC(=O)CN NO15347 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(=O)CO NO11386 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CCOC(=O)NN NO11383 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 CNC(=O)CC#N NO18404 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 COC(=N)CCCl DY799605 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 COC(=O)CC=O DY740485 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 COC(=O)CCCl DY741043 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 COC(=O)CCN NO22266 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 COC(=O)CSC DY460536 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.1 COCC(=O)NN NO11580 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.1 O=C(CCl)NCO NO14580 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 C#CCCC(=O)O DY428029 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 C=CCCC(=O)O NO15216 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 CC(=O)CCCBr NO10305 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 CC(=O)CCCCl NO10334 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.4 CC(=O)NCCCl DY33011 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 CC(C)CCCBr DY740443 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CCCCC(C)O DY740779 [1,0,0,0,0,0|0,0,2]=3 36 B6R0.4 CCCC[SiH](C)C DY500283 [1,0,0,0,0,0|1,1,0]=3 37 B6R0.4 CCNCC(C)C DY564723 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.4 CN(C)CCCBr NO22184 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.4 CN(C)CCCCl NO13505 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 CN(C)CCCCl NO14943 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 CNCCC(C)C DY543681 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CNCCC(C)C DY553713 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CNCCN(C)C NO11723 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CNCCN(C)C NO15131 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 COCCC(=N)N DY569565 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.4 CSCCC(C)=O DY740809 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.4 N#CCCC(=O)O NO22262 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.4 NCCCC(=O)O NO14998 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 NCCNC(=O)O DY822495 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 O=C(O)CCCBr NO14053 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.6 CC#CCCCO DY580533 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.6 CCCCON=O DY461106 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.6 CCCCSCC DY740893 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.6 CCCOCCO DY740785 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 CNCCCCBr DY741283 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 CNCCCCO DY554133 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 COCCCCBr NO22933 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 COCCCCO DY741295 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 COCCCOC DY792147 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.6 ClCCCCCBr DY559653 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.6 FCCCCCBr NO14708 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.6 FCCCCCF DY822300 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 NCCCCCN NO19074 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.6 OCCCCCCl NO14778 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 OCCCCCF DY822292 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 OCCCCCO NO20549 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.1 C#CCCC(=O)CCC DY822712 [0,1,0,0,0,0|0,0,2]=3 69 B8R0.1 CCC#CC(=O)OCC DY560139 [0,1,0,0,0,0|0,0,2]=3 70 B8R0.1 CCOC(=O)CCCCl DY822383 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.1 CCOC(=O)CCCO DY111642 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.1 CCOC(=O)CN=C=O DY41055 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.1 CCOCC(=O)OCC DY461136 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.1 CN(CCO)CCCN DY795333 [0,1,0,0,0,0|3,0,0]=4 75 B8R0.1 CNCC(=O)NCCO DY741259 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.3 C=CC[C@@H](N)C(=O)OC DY628161 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.3 CCN(C)C(C)CCN DY604545 [0,1,0,0,0,0|3,0,0]=4 78 B8R0.3 CCOC(=O)C(=O)CBr NO18430 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.3 CCOC(=O)C(=O)CC NO13439 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.6 CCCCNC(=O)CCl NO11766 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.6 CCCCNC(=S)NN DY797331 [0,1,0,0,0,0|2,1,0]=4 82 B8R0.6 NCC(=O)NCCCO DY741271 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.8 CNCCC(=O)N(C)C DY606171 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.8 CSCCC(=O)C(=O)[O-] DY558027 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.9 C=CC(=O)OCC(C)C DY822663 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.9 C=CC(=O)OCC(C)O NO21600 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.9 COC(=O)CCC(=O)O NO11694 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.9 COC(=O)CCS(=O)[O-] NO11954 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.9 NCC(=O)CCC(=O)O DY34214 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.9 NCC(=O)CCC(=O)O NO10222 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.19 CCC(=O)CC(=O)CC NO22007 [0,1,0,0,0,0|0,0,1]=2 92 B8R0.19 CCC(=O)CC(=O)OC NO18389 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.19 CCN(C)CC(C)CN DY604863 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.19 CC[C@@H](O)C[C@H](O)CC DY571299 [0,1,0,0,0,0|0,0,2]=3 95 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [0,1,0,0,0,0|1,0,0]=2 96 B8R0.19 COC(=O)CC(=O)CCl DY20592 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.19 COC(=O)C[C@@H](O)CCl NO18252 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.19 COC(=O)C[C@H](O)CO DY627328 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.1 CCC1COC(=O)N1 DY607707 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.1 CCN1CC[C@@H](N)C1 DY516273 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.1 CCN1CC[C@@H](N)C1 DY570393 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.1 CN1CC[C@H](CN)C1 DY104144 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.1 N#C[C@@H]1CCC(=O)C1 DY533241 [0,0,0,1,0,0|1,0,1]=3 104 B8R1.1 NCC1CNC(=O)O1 DY529719 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 DY582081 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.1 NC[C@H]1CNC(=O)C1 DY529623 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.2 BrCC1CCCCC1 NO19887 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.2 CCC1CCNCC1 DY602027 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.2 CCC1CNCCO1 DY731791 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.2 CCN1CCNCC1 NO20680 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.2 CC[C@@H]1CCCCN1 DY622095 [0,0,0,1,0,0|1,0,1]=3 118 B8R1.2 CC[C@@H]1CNCCO1 DY444035 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.2 CC[C@@H]1COCCN1 DY20812 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.2 CC[C@H]1CCCCN1 DY624979 [0,0,0,1,0,0|1,0,1]=3 121 B8R1.2 COC1=CCCCC1 DY789345 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.2 COC1=NCCCC1 DY711079 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.2 ClCC1CCCCC1 DY788085 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.2 FC[C@@H]1CCCCN1 DY586647 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.2 ICC1CCCCN1 DY635594 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.2 NCC1CCCCC1 DY20908 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.2 OCC1CCCCC1 DY20144 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.2 OCC1CCCCN1 NO21780 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.3 C=C1CCC(=C)CC1 DY789615 [0,0,0,1,0,0|1,0,2]=4 130 B8R1.3 CC1CCC(=O)OC1 DY777526 [0,0,0,1,0,0|1,0,0]=2 131 B8R1.3 CC1CCC(O)CC1 DY562059 [0,0,0,1,0,0|0,0,2]=3 132 B8R1.3 CC1CCN(N)CC1 DY535737 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.3 CN1CCC(=O)CC1 DY634332 [0,0,0,1,0,0|1,0,0]=2 134 B8R1.3 CN1CCC(=O)CC1 NO18410 [0,0,0,1,0,0|1,0,0]=2 135 B8R1.3 CN1CCC(N)CC1 NO18628 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.3 CN1CCC(O)CC1 NO13491 [0,0,0,1,0,0|1,0,2]=4 137 B8R1.3 C[C@H]1CC[C@@H](O)CN1 DY542115 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,0,0,1,0,0|1,0,0]=2 139 B8R1.3 NC1CCC(=O)NC1 DY444382 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.3 NC1CCC(O)CC1 DY585958 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.3 NC1CCC(O)CC1 NO18581 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.3 N[C@H]1CC[C@@H](N)CC1 DY20732 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.3 N[C@H]1CC[C@@H](O)CC1 NO15381 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.3 N[C@H]1CC[C@H](N)CC1 NO18629 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO12038 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO18592 [0,0,0,1,0,0|1,0,2]=4 147 B8R1.3 N[C@H]1CC[S@H+]([O-])CC1 DY585300 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.3 O=C1CCC(=O)CC1 NO19236 [0,0,0,1,0,0|1,0,1]=3 149 B8R1.3 O=C1CCC(=O)NC1 NO21155 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.3 O[C@H]1CC[C@@H](F)CC1 DY585400 [0,0,0,1,0,0|1,0,2]=4 153 B8R1.5 BrC1CCCCC1Br NO20488 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.5 Br[C@@H]1CCCC[C@H]1Br DY756619 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.5 CC1=NCCCN1C DY20695 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.5 CC1CNCCC1O DY549411 [0,0,0,1,0,0|1,0,2]=4 157 B8R1.5 CC1NCCNC1=O DY543543 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.5 CN1CCCNC1=O DY502023 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.5 CN1CCNCC1=O DY734647 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.5 CN1CCNCC1=O NO17040 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.5 CN1CCNCC1=O NO18390 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.5 C[C@@H]1COCC[C@@H]1N DY567579 [0,0,0,1,0,0|2,0,1]=4 163 B8R1.5 C[C@H]1CCCC[C@H]1N DY540861 [0,0,0,1,0,0|1,0,1]=3 164 B8R1.5 C[C@H]1CCNC[C@H]1O DY103745 [0,0,0,1,0,0|1,0,2]=4 165 B8R1.5 NC1CCCCC1N DY756925 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.5 NC1CCCCC1N DY822566 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.5 NC1CCCCC1N DY822654 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.5 N[C@@H]1CCCC[C@@H]1O NO12548 [0,0,0,1,0,0|1,0,2]=4 169 B8R1.5 N[C@@H]1CCCC[C@H]1F DY586539 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.5 N[C@@H]1CCCC[C@H]1N DY507005 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.5 N[C@@H]1CCCC[C@H]1N DY538371 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.5 N[C@@H]1CCCC[C@H]1N DY564255 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.5 N[C@@H]1CCCC[C@H]1O DY584529 [0,0,0,1,0,0|1,0,2]=4 174 B8R1.5 N[C@@H]1CCCC[C@H]1O NO12403 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.5 N[C@@H]1CCCC[C@H]1O NO18590 [0,0,0,1,0,0|1,0,2]=4 176 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.5 N[C@H]1CCCC[C@@H]1O DY20824 [0,0,0,1,0,0|1,0,2]=4 178 B8R1.5 N[C@H]1CCCC[C@@H]1O NO14928 [0,0,0,1,0,0|1,0,2]=4 179 B8R1.5 N[C@H]1CCCC[C@H]1N DY620142 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.5 N[C@H]1CCCC[C@H]1O DY20710 [0,0,0,1,0,0|1,0,2]=4 181 B8R1.5 N[C@H]1CCCC[C@H]1O NO12547 [0,0,0,1,0,0|1,0,2]=4 182 B8R1.5 N[C@H]1CCCNC1=O DY106744 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.5 N[C@H]1CCCNC1=O DY554319 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.5 O=C1CCCCC1=O NO20486 [0,0,0,1,0,0|1,0,1]=3 185 B8R1.5 O=C1CCCCC1Br DY573183 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.5 O=C1CCCCN1O DY822177 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.5 O=C1CCOCC1F DY458969 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.5 O=C1NCCCC1O NO19689 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.5 O=C1NCCC[C@H]1O DY541749 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.5 O=C1OCCCC1O NO16147 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.5 O[C@@H]1CCCC[C@H]1O NO12029 [0,0,0,1,0,0|1,0,2]=4 192 B8R1.22 C=C1OCCCCO1 DY567825 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.22 FC1CCCCNC1 DY685529 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.22 NC1CCCCNC1 NO18624 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.22 O=C1CCCCCC1 DY461238 [0,0,0,1,0,0|0,0,0]=1 196 B8R1.22 O=C1CCCNCC1 NO19096 [0,0,0,1,0,0|1,0,0]=2 197 B8R1.22 O=C1CCNCCN1 NO18857 [0,0,0,1,0,0|2,0,0]=3 198 B8R1.22 O=C1OCCCCO1 DY770703 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.22 O[C@H]1CCCCNC1 DY625519 [0,0,0,1,0,0|1,0,2]=4 200 B8R1.22 O[C@H]1CCCOCC1 DY770757 [0,0,0,1,0,0|1,0,2]=4 201 B8R1.38 CCC(=O)C1COC1 DY526161 [0,0,0,1,0,0|1,0,0]=2 202 B8R1.38 CCC(O)C1COC1 DY526581 [0,0,0,1,0,0|1,0,2]=4 203 B8R1.38 CNC(=O)C1CCC1 DY514599 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.38 COC(=O)C1CNC1 NO13402 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.38 COC(=O)[C@@H]1CCN1 DY625939 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.38 COC(=O)[C@H]1CCN1 DY565389 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.38 COC(=O)[C@H]1CCN1 DY627322 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.38 O=C(CBr)C1CCC1 DY742339 [0,0,0,1,0,0|1,0,0]=2 209 B8R1.40 NCC(=O)NC1CC1 DY511215 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.47 CCN1CC(CO)C1 DY585829 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.50 CC1=C(O)C(=O)CC1 NO16508 [0,0,0,1,0,0|1,0,2]=4 212 B8R1.50 CC1=CNC(=O)C1C DY799551 [0,0,0,1,0,0|1,0,2]=4 213 B8R1.50 CC1C(=O)CCC1=O NO21655 [0,0,0,1,0,0|1,0,1]=3 214 B8R1.52 CC1(CN)CCCC1 DY585763 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.52 CCC1(C)CCNC1 DY550311 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.52 CCC1(C)CCNC1 DY585216 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.52 CCC1(N)CCCC1 DY603592 [0,0,0,1,0,0|1,0,1]=3 218 B8R1.52 NCC1(F)CCCC1 DY584015 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.52 NCC1(O)CCCC1 NO15390 [0,0,0,1,0,0|1,0,2]=4 220 B8R1.83 COC(=O)C1CC1Br DY430638 [0,0,0,1,0,0|2,0,0]=3 221 B5R0.1 C=C(C)CCBr NO14513 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.1 CCCC(=O)[O-] DY822775 [2,0,0,0,0,0|1,0,0]=3 223 B5R0.1 CCCC(C)=O NO21731 [2,0,0,0,0,0|0,0,0]=2 224 B5R0.1 CCCC(C)O DY741013 [2,0,0,0,0,0|0,0,2]=4 225 B5R0.1 CCNC(C)=O DY564051 [2,0,0,0,0,0|1,0,0]=3 226 B5R0.1 CCOC(C)=N DY500026 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.1 CNCC(=O)O NO18595 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.1 COCC(=O)O NO11579 [2,0,0,0,0,0|2,0,0]=4 229 B5R0.1 CSCC(=O)O DY543879 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.1 CSCC(N)=O NO12608 [2,0,0,0,0,0|2,0,0]=4 231 B5R0.1 NCCC(=O)O NO13499 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.2 C=CCCCBr DY460284 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.2 CCC#CCC DY740797 [2,0,0,0,0,0|0,0,2]=4 234 B5R0.2 CCCCCBr NO20657 [2,0,0,0,0,0|1,0,0]=3 235 B5R0.2 CCCC[Mg]Cl DY567561 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.2 CCOCCBr NO21396 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.2 CC\C=C\CO DY527871 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.2 CNCCCO NO14200 [2,0,0,0,0,0|2,0,0]=4 239 B5R0.2 CNCCNC NO15116 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.2 COCCCBr NO20649 [2,0,0,0,0,0|2,0,0]=4 241 B5R0.2 COCCCO NO20039 [2,0,0,0,0,0|2,0,0]=4 242 B5R0.2 COCCOC DY546591 [2,0,0,0,0,0|2,0,0]=4 243 B5R0.2 CSCCCO DY557199 [2,0,0,0,0,0|2,0,0]=4 244 B5R0.2 C\C=C\CCO DY799773 [2,0,0,0,0,0|1,0,1]=4 245 B5R0.2 FCCCCF DY822299 [2,0,0,0,0,0|2,0,0]=4 246 B5R0.2 NCCCCBr NO14979 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.2 NCCCCN NO19906 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.2 OCCCCF DY822291 [2,0,0,0,0,0|2,0,0]=4 249 B5R0.3 CCC(=O)OC DY460566 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.3 CCN(O)CC DY551655 [2,0,0,0,0,0|1,0,1]=4 251 B5R0.3 CNC(=O)CCl DY21094 [2,0,0,0,0,0|2,0,0]=4 252 B5R0.3 CNC(=O)CN DY437710 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.3 CNC(=O)CN DY542271 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.3 COC(=O)CF DY822286 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.3 COC(=O)CN NO15045 [2,0,0,0,0,0|2,0,0]=4 256 B5R0.3 COC(=O)CO NO19433 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.3 COC(=O)CS DY20578 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.3 O=C(CBr)CBr DY572985 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.3 O=C(CO)CO NO11245 [2,0,0,0,0,0|2,0,0]=4 260 B7R0.2 CC(C)CC(=O)CN DY540483 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.2 CC(C)NC(=O)CN DY605375 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.2 CC(C)OC(=O)CO NO11522 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.2 CCC(=O)CC(C)=O NO21124 [1,1,0,0,0,0|0,0,1]=3 264 B7R0.2 CCC(=O)OC(C)=O NO16382 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.2 COC(=O)C[C@H](C)N DY625921 [1,1,0,0,0,0|1,0,0]=3 268 B7R0.2 COC(=O)C[C@H](C)O DY559029 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.5 CCCC(=O)N(C)C DY584357 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.5 CCNC(=O)C(C)Cl DY605068 [1,1,0,0,0,0|1,0,0]=3 271 B7R0.5 CCOC(=O)C(Br)Br DY584292 [1,1,0,0,0,0|2,0,0]=4 272 B7R0.5 CCOC(=O)C(C)C NO11388 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.5 CCOC(=O)C(C)N DY628935 [1,1,0,0,0,0|1,0,0]=3 274 B7R0.5 CCOC(=O)C(F)F NO11385 [1,1,0,0,0,0|2,0,0]=4 275 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.5 CN(C)C(=O)CCO DY606315 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.7 CC#CC(=O)OCC NO10117 [1,1,0,0,0,0|0,0,2]=4 278 B7R0.7 CCNC(=O)CC#N DY740641 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.7 CCOC(=O)CC=O DY586084 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.7 CCOC(=O)CCN NO14330 [1,1,0,0,0,0|1,0,0]=3 281 B7R0.7 CCOC(=O)CNC NO17068 [1,1,0,0,0,0|1,0,0]=3 282 B7R0.7 CCOC(=O)CNN NO19987 [1,1,0,0,0,0|2,0,0]=4 283 B7R0.7 CCOC(=O)COC NO11389 [1,1,0,0,0,0|1,0,0]=3 284 B7R0.7 O=C(CCCl)CCCl NO19912 [1,1,0,0,0,0|1,0,0]=3 285 B7R0.10 C=C(CC)C(=O)OC DY541119 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.10 CCC(Br)C(=O)OC NO14136 [1,1,0,0,0,0|1,0,0]=3 287 B7R0.10 CNC(=O)[C@H](C)NC DY608115 [1,1,0,0,0,0|2,0,0]=4 288 B7R0.10 COC(=O)C(Br)CBr DY740875 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.10 COC(=O)C(C)OC DY822756 [1,1,0,0,0,0|2,0,0]=4 290 B7R0.10 COC(=O)C(F)CO NO17081 [1,1,0,0,0,0|2,0,0]=4 291 B7R0.10 COC(=O)C(N)CCl NO22615 [1,1,0,0,0,0|2,0,0]=4 292 B7R0.10 COC(=O)C(N)CO NO16785 [1,1,0,0,0,0|2,0,0]=4 293 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [1,1,0,0,0,0|2,0,0]=4 295 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [1,1,0,0,0,0|2,0,0]=4 296 B7R0.10 COC(=O)[C@H](N)CO NO16778 [1,1,0,0,0,0|2,0,0]=4 297 B7R0.4 C#CCCCC(=O)O NO14686 [1,1,0,0,0,0|1,0,1]=4 298 B7R0.4 CC(=O)CCCCBr NO10627 [1,1,0,0,0,0|0,0,0]=2 299 B7R0.4 CCCCCC(=O)Cl DY822275 [1,1,0,0,0,0|1,0,0]=3 300 B7R0.4 CCCCCC(C)O NO21570 [1,1,0,0,0,0|0,0,2]=4 301 B7R0.4 CCCOCC(=O)O DY425744 [1,1,0,0,0,0|1,0,0]=3 302 B7R0.4 CCCSCC(N)=O DY742801 [1,1,0,0,0,0|1,0,0]=3 303 B7R0.4 CN(C)CCCCCl DY551337 [1,1,0,0,0,0|2,0,0]=4 304 B7R0.4 CN(C)CCCCO NO22813 [1,1,0,0,0,0|2,0,0]=4 305 B7R0.4 CNCCCC(=O)O DY702793 [1,1,0,0,0,0|1,0,0]=3 306 B7R0.4 CNCCCN(C)C DY584479 [1,1,0,0,0,0|2,0,0]=4 307 B7R0.4 O=C(Cl)CCCCCl DY460464 [1,1,0,0,0,0|1,0,0]=3 308 B7R0.6 C=C(C)CCC(=O)O NO16527 [1,1,0,0,0,0|1,0,1]=4 309 B7R0.6 CC(=O)CCC(=O)O NO18688 [1,1,0,0,0,0|1,0,1]=4 310 B7R0.6 CC(Br)CCC(C)Br DY793473 [1,1,0,0,0,0|1,0,1]=4 311 B7R0.6 CC(C)CCC(=N)N DY611066 [1,1,0,0,0,0|2,0,0]=4 312 B7R0.6 CN(C)CCC(=O)O NO12169 [1,1,0,0,0,0|2,0,0]=4 313 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [1,1,0,0,0,0|0,0,2]=4 314 B7R0.1 BrCCCCCCBr NO20550 [1,1,0,0,0,0|1,0,1]=4 315 B7R0.1 C#CCCCCCC DY740767 [1,1,0,0,0,0|0,0,2]=4 316 B7R0.1 CCCOCCCN DY740653 [1,1,0,0,0,0|1,0,1]=4 317 B7R0.1 COCCOCCBr DY559431 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.1 COCCOCCCl DY740401 [1,1,0,0,0,0|2,0,0]=4 319 B7R0.1 ClCCCCCCI DY550149 [1,1,0,0,0,0|1,0,1]=4 320 B7R0.1 FCCCCCCF DY822301 [1,1,0,0,0,0|1,0,1]=4 321 B7R0.1 NCCCCCCN DY740617 [1,1,0,0,0,0|1,0,1]=4 322 B7R0.1 NCCCNCCBr NO13982 [1,1,0,0,0,0|2,0,0]=4 323 B7R0.1 OCCCCCCBr NO14335 [1,1,0,0,0,0|1,0,1]=4 324 B7R0.1 OCCCCCCF DY822293 [1,1,0,0,0,0|1,0,1]=4 325 B7R0.1 OCCOCCCCl DY740305 [1,1,0,0,0,0|2,0,0]=4 326 B7R0.1 SCCCCCCS DY741367 [1,1,0,0,0,0|1,0,1]=4 327 B9R0.5 CCCCCC(=O)OCC DY822461 [0,2,0,0,0,0|0,0,0]=2 328 B9R0.5 CCCCNC(=O)CCN DY741211 [0,2,0,0,0,0|0,0,0]=2 329 B9R0.5 CCNCCC(=O)OCC DY703477 [0,2,0,0,0,0|0,0,0]=2 330 B9R0.5 CCOC(=O)CCCCBr NO13726 [0,2,0,0,0,0|0,0,0]=2 331 B9R0.5 CCOC(=O)CCCCN NO14354 [0,2,0,0,0,0|0,0,0]=2 332 B9R0.5 CCO\C=C\C(=O)OCC DY20656 [0,2,0,0,0,0|0,0,2]=4 333 B9R0.18 CCCCC(N)CCCC DY428161 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.18 O=C(CCCCl)CCCCl NO14305 [0,2,0,0,0,0|1,0,0]=3 335 B9R0.34 CCOC(=O)CC(=O)CBr NO13599 [0,2,0,0,0,0|1,0,1]=4 336 B9R0.34 CCOC(=O)CC(=O)CC NO11391 [0,2,0,0,0,0|0,0,1]=3 337 B9R0.34 CCOC(=O)CC(O)CBr DY799257 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.34 CCOC(=O)C[C@H](O)CC DY822251 [0,2,0,0,0,0|0,0,0]=2 339 B9R0.34 COCC(=O)CC(=O)OC DY20562 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.35 CCCC(=O)C(=O)OCC NO14582 [0,2,0,0,0,0|0,0,1]=3 341 B9R0.35 CCCC(=O)C(O)CCC DY556689 [0,2,0,0,0,0|0,0,0]=2 342 B9R0.35 CCOC(=N)C(=O)OCC NO13440 [0,2,0,0,0,0|1,0,1]=4 343 B9R0.35 CCOC(=O)C(=O)OCC DY41888 [0,2,0,0,0,0|1,0,1]=4 344 B9R0.48 CCOC(=O)CCC(=O)O NO11693 [0,2,0,0,0,0|1,0,1]=4 345 B9R0.23 C=C(CC(C)C)C(=O)OC DY547623 [0,2,0,0,0,0|1,0,1]=4 346 B9R0.23 CCC(=O)C(C)CN(C)C NO12103 [0,2,0,0,0,0|1,0,0]=3 347 B9R0.23 COC(=O)[C@@H](N)CC(C)C NO22260 [0,2,0,0,0,0|1,0,0]=3 348 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO DY556491 [0,2,0,0,0,0|2,0,0]=4 349 B9R0.24 O=C(CCl)NCC(O)CO DY742681 [0,2,0,0,0,0|2,0,0]=4 350 B9R0.46 COC(=O)CCCCCBr DY523155 [0,2,0,0,0,0|1,0,0]=3 351 B9R0.46 COC(=O)CCCCCN NO11662 [0,2,0,0,0,0|1,0,0]=3 352 B9R0.46 COCCCNC(=O)CN DY741265 [0,2,0,0,0,0|1,0,0]=3 353 B9R0.47 C=C(C)C(=O)NCCCN NO11712 [0,2,0,0,0,0|1,0,1]=4 354 B9R0.47 CCCCOC(=O)C(C)=O DY792807 [0,2,0,0,0,0|0,0,1]=3 355 B9R0.47 CCCCOC(=O)C(C)C DY583197 [0,2,0,0,0,0|0,0,0]=2 356 B9R0.47 CCCCOC(=O)[C@H](C)N NO15628 [0,2,0,0,0,0|0,0,0]=2 357 B9R0.50 CCN(CC)CCCNC DY559701 [0,2,0,0,0,0|2,0,0]=4 358 B9R0.3 CC(C)(C)C(=O)NCCO DY551349 [0,2,0,0,0,0|2,0,0]=4 359 B9R0.7 CC(C)C(=O)CCN(C)C DY793521 [0,2,0,0,0,0|1,0,0]=3 360 B9R0.13 CCCCC(CC)C(=O)[O-] DY740359 [0,2,0,0,0,0|0,0,1]=3 361 B9R0.13 CCCCC(CC)C(=O)[O-] DY822436 [0,2,0,0,0,0|0,0,1]=3 362 B9R0.13 CCCCC(CC)C(=O)[O-] DY822437 [0,2,0,0,0,0|0,0,1]=3 363 B9R0.13 CCCC[C@@H](CO)C(=O)O DY797973 [0,2,0,0,0,0|1,0,1]=4 364 B9R0.42 CCC(=O)OC(Cl)C(C)C NO20670 [0,2,0,0,0,0|1,0,0]=3 365 B9R0.42 COC(=O)CC(=O)C(C)C NO11675 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.42 COC(=O)CC(C)C(C)=O DY584386 [0,2,0,0,0,0|1,0,1]=4 367 B9R0.21 CNC(=O)CCC(C)(C)N DY610458 [0,2,0,0,0,0|1,0,0]=3 368 B9R0.26 COC(=O)CC(OC)OC NO12534 [0,2,0,0,0,0|2,0,0]=4 369 B7R1.1 CCC1CCCN1 DY738230 [1,0,0,1,0,0|1,0,1]=4 370 B7R1.1 COC1=NCCC1 NO10423 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.2 CC1=CC(=O)CC1 NO22356 [1,0,0,1,0,0|0,0,2]=4 372 B7R1.2 CC1CCC(=O)N1 DY505299 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.2 CN1CCC(=O)C1 NO20760 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.2 O=C1CC(O)CN1 NO14706 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.2 O=C1CCC(=O)C1 DY552447 [1,0,0,1,0,0|1,0,1]=4 382 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.3 BrC1CCCCC1 NO11079 [1,0,0,1,0,0|1,0,1]=4 385 B7R1.3 O=C1CCCCO1 NO11208 [1,0,0,1,0,0|1,0,0]=3 386 B7R1.3 O=C1CCCNC1 DY557319 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.3 O=C1CCCNC1 NO17767 [1,0,0,1,0,0|1,0,0]=3 388 B7R1.3 O=C1CCOCC1 NO13380 [1,0,0,1,0,0|1,0,0]=3 389 B7R1.3 O=C1CCSCC1 NO18797 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.3 O=C1CNCCN1 NO19142 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.3 O=C1COCCN1 NO11697 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.3 O=C1COCCO1 DY20725 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.3 O=S1CCCCC1 DY822282 [1,0,0,1,0,0|1,0,0]=3 394 B7R1.3 O=S1CCNCC1 DY570699 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.4 CC1CCCC1O DY757267 [1,0,0,1,0,0|0,0,2]=4 396 B7R1.4 CC1CCOC1=O DY759320 [1,0,0,1,0,0|1,0,0]=3 397 B7R1.4 CC1OCCC1=O NO14135 [1,0,0,1,0,0|1,0,0]=3 398 B7R1.4 C[C@@H]1CCNC1=O DY546075 [1,0,0,1,0,0|1,0,0]=3 399 B7R1.4 C[C@H]1CCNC1=O DY560337 [1,0,0,1,0,0|1,0,0]=3 400 B7R1.4 N[C@@H]1CCOC1=O NO18578 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.4 N[C@H]1CCOC1=O DY541269 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.4 O=C1CCCC1Cl DY567621 [1,0,0,1,0,0|1,0,0]=3 403 B7R1.4 O=C1NCCC1O DY444274 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.4 O=C1NCC[C@@H]1O NO19486 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.4 O=C1NCC[C@H]1O DY115910 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.22 CCC(=O)C1CC1 DY566457 [1,0,0,1,0,0|0,0,0]=2 407 B7R1.22 CC[C@H](N)C1CC1 DY585988 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.22 O=C(CO)C1CC1 DY758275 [1,0,0,1,0,0|1,0,0]=3 409 B7R1.7 CCCC[C@H]1CO1 DY822259 [1,0,0,1,0,0|0,0,2]=4 410 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.14 CC1(Br)CCCC1 DY585925 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.14 CC1(N)CCCC1 DY502389 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.14 CC1(O)CCCC1 NO20768 [1,0,0,1,0,0|0,0,2]=4 416 B7R1.18 CC(O)C1CCC1 NO20672 [1,0,0,1,0,0|0,0,2]=4 417 B7R1.18 C[C@H](N)C1CCC1 DY586624 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.18 NC(=O)C1CNC1 DY10515 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.18 NC(=O)C1CNC1 DY10516 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.18 O=C(O)C1CCC1 NO22786 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.18 O=C(O)C1CCN1 NO18844 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.18 O=C(O)C1CNC1 NO16485 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.18 O=C(O)C1COC1 NO22389 [1,0,0,1,0,0|2,0,0]=4 424 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.20 O=C(O)C[C@H]1CO1 DY506016 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.24 C1CNCCOC1 NO17007 [1,0,0,1,0,0|2,0,0]=4 429 B9R1.2 CCN1CCCC(N)C1 DY634240 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.2 CCN1CCN[C@H](C)C1 DY548511 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.2 O=C1CNC[C@@H](CO)N1 DY586385 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.2 O=C1COCC(CO)N1 NO17255 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.7 CCC[C@H]1COC(=O)C1 DY426027 [0,1,0,1,0,0|1,0,0]=3 434 B9R1.7 NCCC1CCC(=O)N1 DY667478 [0,1,0,1,0,0|1,0,0]=3 435 B9R1.8 BrCCC1CCCCC1 DY530061 [0,1,0,1,0,0|1,0,1]=4 436 B9R1.8 BrCCN1CCCCC1 NO16757 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.8 CCNC1CCCCC1 NO11778 [0,1,0,1,0,0|1,0,1]=4 438 B9R1.8 CNCC1CCCCC1 DY609279 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.8 COCC1CCCCN1 DY458555 [0,1,0,1,0,0|1,0,1]=4 440 B9R1.8 ClCCN1CCCCC1 NO19629 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.8 N#CCC1=CCCCC1 DY797637 [0,1,0,1,0,0|1,0,1]=4 442 B9R1.8 NCCC1CCCCC1 NO18358 [0,1,0,1,0,0|1,0,1]=4 443 B9R1.8 NCCC1CCCCO1 DY553407 [0,1,0,1,0,0|0,0,2]=4 444 B9R1.8 NCCN1CCCCC1 NO16099 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.8 OCCC1CCCCN1 NO13732 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.8 OCCC1CCCCN1 NO17564 [0,1,0,1,0,0|1,0,1]=4 447 B9R1.8 OCC[C@@H]1CCCCN1 DY571947 [0,1,0,1,0,0|1,0,1]=4 448 B9R1.8 OCC[C@H]1CCCCO1 DY527163 [0,1,0,1,0,0|0,0,2]=4 449 B9R1.15 CCC1CNCCC1=O NO17950 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.15 CCC1NCCCC1=O DY636158 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.15 CN1CCCCC1CO NO18858 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.15 CN1CCCC[C@@H]1CO NO16091 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.15 CN1CCCC[C@H]1CN DY623439 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.15 CN1CCCC[C@H]1CO NO16092 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.15 COC1CCCCC1=O DY822546 [0,1,0,1,0,0|0,0,0]=2 456 B9R1.15 COC1CCCNC1=O NO12712 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.15 CO[C@@H]1CCCC[C@@H]1N DY757159 [0,1,0,1,0,0|1,0,1]=4 458 B9R1.15 CO[C@H]1CCCC[C@@H]1O DY620334 [0,1,0,1,0,0|0,0,2]=4 459 B9R1.15 C[C@H]1CCCCN1N=O DY794955 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.15 N#CC1CCCCC1=O DY33325 [0,1,0,1,0,0|0,0,1]=3 461 B9R1.15 O=C1CCCCC1CO DY587110 [0,1,0,1,0,0|0,0,0]=2 462 B9R1.22 O=C1C[C@@H](O)[C@@H](CBr)O1 DY742837 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 DY549897 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.33 O=C1OCCN1CCCl DY774075 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.48 NC1CCCNC(=O)C1 DY743197 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.48 O=C1CCCCC(=O)C1 NO20375 [0,1,0,1,0,0|0,0,1]=3 467 B9R1.48 O=C1CCCCC(=S)N1 DY568851 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.49 CN1CCCC(=O)CC1 NO13899 [0,1,0,1,0,0|0,0,0]=2 469 B9R1.49 CN1CCCC(O)CC1 DY685139 [0,1,0,1,0,0|0,0,2]=4 470 B9R1.49 CN1CCCC(O)CC1 NO13879 [0,1,0,1,0,0|0,0,2]=4 471 B9R1.49 O=C1CCCC(O)CN1 DY743185 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.50 O=C1CCCCCCN1 NO21316 [0,1,0,1,0,0|0,0,0]=2 473 B9R1.69 CC1CCC(N)CC1N DY822684 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.69 CC1CNC(=O)C(C)C1 DY636400 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.69 CC1CNC(=O)CC1=O NO12978 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.69 CN1CC(N)CCC1=O DY603454 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 DY515061 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.69 C[C@H]1CC[C@@H](N)CN1C DY515895 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.73 CCOC(=O)C1CNC1 NO11347 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.100 CCCNC(=O)C1CC1 DY757753 [0,1,0,1,0,0|1,0,0]=3 481 B9R1.100 NCCNC(=O)C1CC1 DY512583 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.3 CC1C(=O)CCCC1=O NO10132 [0,1,0,1,0,0|0,0,1]=3 483 B9R1.3 CC1C(N)CCCN1C DY632168 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.3 CC1NCCN(C)C1=O DY512001 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.3 CN1CCC[C@@H](O)C1=O DY586206 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.5 NC1CCCCNC1=O NO15569 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.5 NC1CCCCNC1=O NO15816 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.5 N[C@H]1CCCCNC1=O DY545019 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.5 O=C1NCCCCC1Br DY550035 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.11 COC(=O)C1=CCCC1 NO18911 [0,1,0,1,0,0|1,0,1]=4 491 B9R1.11 COC(=O)C1CCCN1 NO11440 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.11 COC(=O)[C@@H]1CCCN1 NO18447 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.11 COC(=O)[C@@H]1CCCO1 DY576465 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.11 COC(=O)[C@@H]1CSCN1 DY565929 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.11 COC(=O)[C@H]1CCNC1 DY103933 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.11 O=C(CBr)C1CCCO1 DY585542 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.11 O=C(CCl)C1CCCC1 DY822737 [0,1,0,1,0,0|1,0,0]=3 498 B9R1.37 CC1CC(C)C(=O)C1=O DY822610 [0,1,0,1,0,0|1,0,1]=4 499 B9R1.82 COC(=O)C1CC(N)C1 NO15952 [0,1,0,1,0,0|1,0,0]=3 500 B9R1.82 COC(=O)[C@H]1C[C@H](C)O1 DY585926 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO DY573705 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.101 COC(=O)[C@H](N)C1CC1 DY520899 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.132 CCN1CC[C@@H](O)C1=O DY586205 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.132 CN1C(=O)CCC1CO DY102373 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.132 CN1C(=O)CC[C@@H]1CO DY738224 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.186 COC(=O)C1(C)CCC1 DY570435 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.186 COC(=O)C1(N)CCC1 NO11175 [0,1,0,1,0,0|1,0,0]=3 508 B9R1.186 COC(=O)C1(O)CNC1 DY582309 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.1 CC1CCC(CO)CC1 DY756931 [0,1,0,1,0,0|0,0,2]=4 510 B9R1.1 CCN1CCC(N)CC1 DY557223 [0,1,0,1,0,0|1,0,1]=4 511 B9R1.1 CN1CCC(C=O)CC1 DY557301 [0,1,0,1,0,0|1,0,1]=4 512 B9R1.1 CN1CCC(C=O)CC1 DY634344 [0,1,0,1,0,0|1,0,1]=4 513 B9R1.1 CN1CCC(CBr)CC1 DY585696 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.1 CN1CCC(CN)CC1 NO21766 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.1 CN1CCC(CO)CC1 NO19632 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.1 CNC1CCC(=O)CC1 NO14610 [0,1,0,1,0,0|0,0,0]=2 517 B9R1.1 CNC1CCN(C)CC1 NO18451 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.1 COC1CCC(=O)CC1 NO14437 [0,1,0,1,0,0|0,0,0]=2 519 B9R1.1 COC1CCC(N)CC1 NO13257 [0,1,0,1,0,0|1,0,1]=4 520 B9R1.1 COC1CCC(O)CC1 NO15906 [0,1,0,1,0,0|0,0,2]=4 521 B9R1.1 COC1CCN(N)CC1 DY638744 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.1 NCC1CCC(O)CC1 DY102788 [0,1,0,1,0,0|0,0,2]=4 523 B9R1.79 CCC(=O)NC1CNC1 DY585826 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.79 COC(=O)NC1CNC1 DY720544 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.80 NNC(=O)CCN1CC1 DY743911 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N DY505035 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.89 CCN1CCCNCC1 DY584487 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.118 CCC1(N)CCCOC1 DY508382 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.118 CCC1(O)CCCNC1 DY637340 [0,1,0,1,0,0|0,0,2]=4 530 B9R1.118 CC[C@]1(C)CCCNC1 DY603694 [0,1,0,1,0,0|1,0,1]=4 531 B9R1.6 C[C@H](O)C1CCCCC1 DY547839 [0,1,0,1,0,0|1,0,1]=4 532 B9R1.23 CN1CC(CN)CC1=O DY580887 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.23 CNC1CC(=O)N(C)C1 DY524481 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.35 CC(C)C1CNC(=O)C1 DY578559 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.35 CC(C)[C@H]1COC(=O)N1 NO22803 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.35 O=C1CCC(C(=O)O)C1 NO19439 [0,1,0,1,0,0|1,0,1]=4 537 B9R1.40 CC1(C)COCCC1=O NO16380 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.40 CC1(C)OCCCC1=O DY510452 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.40 O=C1NCCCC1(Br)Br NO18534 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.110 CN(C)C(=O)C1CNC1 DY113079 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.110 CN(C)C(=O)C1CNC1 DY718780 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.10 C=C1CCC(C)(C)CC1 DY105700 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.10 CC1(C)C=CC(=O)CC1 DY453634 [0,1,0,1,0,0|0,0,2]=4 544 B9R1.10 CC1(C)CCC(=O)CC1 NO22420 [0,1,0,1,0,0|0,0,0]=2 545 B9R1.10 CC1(C)CCC(=O)NC1 DY638878 [0,1,0,1,0,0|1,0,0]=3 546 B9R1.10 CC1(C)CCC(O)CC1 NO22482 [0,1,0,1,0,0|0,0,2]=4 547 B9R1.10 CC1(O)CCC(=O)CC1 NO14351 [0,1,0,1,0,0|0,0,0]=2 548 B9R1.10 CC1(O)CCC(=O)NC1 DY639130 [0,1,0,1,0,0|1,0,0]=3 549 B9R1.10 CN1CCS(=O)(=O)CC1 DY544539 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.10 NC1CCS(=O)(=O)CC1 NO22595 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.10 O=C1CCC(F)(F)CC1 DY10539 [0,1,0,1,0,0|1,0,0]=3 552 B9R1.10 O=C1CCS(=O)(=O)CC1 NO15032 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.138 CC1(C)COC(=O)C1O DY572043 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.185 COC(=O)C1CC1(C)C DY758545 [0,1,0,1,0,0|1,0,0]=3 555 B9R1.148 O=S1(=O)CCCNCC1 DY100270 [0,1,0,1,0,0|2,0,0]=4 556 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 DY573921 [0,0,0,2,0,0|1,0,1]=4 557 B9R2.39 N[C@@H]1C[C@H]2CC[C@H]1C2 DY586591 [0,0,0,2,0,0|1,0,1]=4 558 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 DY511755 [0,0,0,2,0,0|1,0,1]=4 559 B9R2.39 N[C@H]1C[C@H]2CC[C@H]1C2 DY586592 [0,0,0,2,0,0|1,0,1]=4 560 B9R2.39 O=C1CC2CC1CO2 DY506766 [0,0,0,2,0,0|1,0,0]=3 561 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 DY620394 [0,0,0,2,0,0|1,0,0]=3 562 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 DY556761 [0,0,0,2,0,0|0,0,2]=4 563 B9R2.139 O=C1NC2(CC2)CO1 DY575961 [0,0,0,2,0,0|2,0,0]=4 564 B9R2.49 C1CC2CCC1CN2 DY546099 [0,0,0,2,0,0|1,0,1]=4 565 B9R2.49 C1CN2CCC1CC2 DY753379 [0,0,0,2,0,0|2,0,0]=4 566 B9R2.123 CN1C2CCCCC21 DY757081 [0,0,0,2,0,0|2,0,0]=4 567 B9R2.187 NC1(C2CCC2)CC1 DY586359 [0,0,0,2,0,0|1,0,1]=4