0 B8R1.4 CC1=CC(C)OCC1 DY560031 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 CC1CCCN(N)C1 DY774663 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.4 CC1CCNC(=O)N1 DY694421 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.4 CC1CCNC(C)C1 NO21125 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.4 CC1CNCC(C)C1 NO14191 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.4 CC1CNCC(C)N1 NO18625 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.4 CC1CSCC(C)N1 DY738722 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.4 CN1CCCC(=O)C1 DY774909 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.4 CN1CCNC(=O)C1 NO13438 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.4 CN1CCOC(=O)C1 NO17566 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.4 C[C@@H]1CCC[C@H](O)C1 DY757141 [0,0,0,0,0,0|0,0,2]=2 12 B8R1.4 C[C@H]1CNC[C@@H](C)N1 NO21187 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.4 C[C@H]1CNC[C@@H](C)O1 DY459894 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.4 C[C@H]1CNC[C@H](C)N1 DY103637 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.4 C[C@H]1C[C@@H](O)CCN1 DY102289 [0,0,0,0,0,0|1,0,2]=3 16 B8R1.4 NC1=CC(=O)COC1 DY777652 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.4 NC1CCCC(O)C1 NO17342 [0,0,0,0,0,0|1,0,2]=3 18 B8R1.4 NC1CCCC(O)C1 NO18558 [0,0,0,0,0,0|1,0,2]=3 19 B8R1.4 NC1CCNC(=O)C1 NO15459 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.4 NN1CCCC(O)C1 DY775186 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.4 N[C@H]1CCC[C@@H](N)C1 DY525135 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.4 N[C@H]1CCC[C@@H](N)C1 DY545481 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.4 N[C@H]1CCC[C@@H](N)C1 NO17066 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.4 N[C@H]1CCC[C@H](F)C1 DY586540 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.4 N[C@H]1CCC[C@H](O)C1 DY513927 [0,0,0,0,0,0|1,0,2]=3 26 B8R1.4 O=C1C=C(Br)CCC1 DY560859 [0,0,0,0,0,0|1,0,2]=3 27 B8R1.4 O=C1CCCC(=O)C1 NO19094 [0,0,0,0,0,0|1,0,1]=2 28 B8R1.4 O=C1CCCC(=O)O1 NO11243 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.4 O=C1CCNC(=O)C1 NO18339 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.4 O=C1CNCC(=O)N1 DY585972 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.4 O=C1CNCC(=O)N1 NO19079 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.4 O=S1CCCC(Br)C1 DY586414 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.3 BrC1=CCOCC1 DY543735 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.3 BrC1CCCCC1 NO11079 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.3 BrC1CCNCC1 NO18356 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 BrC1CCOCC1 NO18193 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.3 CC1C=CCCO1 DY560079 [1,0,0,0,0,0|1,0,1]=3 39 B7R1.3 CC1CCCCN1 DY20418 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.3 CC1CNCCN1 NO13503 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 CC1CNCCO1 NO21692 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.3 CC1COCCN1 NO22371 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.3 CN1CC=CCC1 NO20742 [1,0,0,0,0,0|1,0,1]=3 44 B7R1.3 CN1CCNCC1 DY20458 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.3 C[C@@H]1CCCNC1 NO16133 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.3 C[C@@H]1CNCCN1 DY622137 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 C[C@@H]1CNCCN1 NO17164 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 C[C@@H]1CNCCO1 NO14521 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.3 C[C@@H]1COCCN1 NO14856 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.3 C[C@@H]1COCCN1 NO20285 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 C[C@H]1CNCCN1 NO17167 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 C[C@H]1CNCCO1 NO14515 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 C[C@H]1CNCCO1 NO19299 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 C[C@H]1COCCN1 DY20820 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 C[C@H]1COCCN1 NO22413 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.3 ClC1CCCOC1 DY586426 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 FC1CCNCC1 NO22845 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.3 IC1CCNCC1 DY638708 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.3 IC1CCOCC1 NO18194 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.3 NC1C=CCCC1 DY608404 [1,0,0,0,0,0|1,0,1]=3 61 B7R1.3 NC1CCCNC1 NO22655 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.3 NC1CCOCC1 NO16997 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.3 NC1CCSCC1 DY541371 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.3 N[C@@H]1CCCNC1 NO17178 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.3 N[C@@H]1CCCOC1 DY517515 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.3 N[C@H]1CCCNC1 NO17182 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.3 O=C1C=CCCN1 NO15771 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.3 O=C1C=CCOC1 NO17023 [1,0,0,0,0,0|1,0,2]=4 69 B7R1.3 O=C1CCCCO1 NO11208 [1,0,0,0,0,0|1,0,0]=2 70 B7R1.3 O=C1CCCNC1 DY557319 [1,0,0,0,0,0|1,0,0]=2 71 B7R1.3 O=C1CCCNC1 NO17767 [1,0,0,0,0,0|1,0,0]=2 72 B7R1.3 O=C1CCOCC1 NO13380 [1,0,0,0,0,0|1,0,0]=2 73 B7R1.3 O=C1CCSCC1 NO18797 [1,0,0,0,0,0|1,0,0]=2 74 B7R1.3 O=C1CNCCN1 NO19142 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.3 O=C1COCCN1 NO11697 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.3 O=C1COCCO1 DY20725 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.3 O=S1CCCCC1 DY822282 [1,0,0,0,0,0|1,0,0]=2 78 B7R1.3 O=S1CCNCC1 DY570699 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.3 OC1C=CCNC1 DY552951 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.3 OC1CCCNC1 NO22642 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.3 OC1CCCOC1 NO17782 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.3 OC1CCNCC1 NO22643 [1,0,0,0,0,0|1,0,2]=4 83 B7R1.3 OC1CCOCC1 NO13929 [1,0,0,0,0,0|1,0,2]=4 84 B7R1.3 OC1CCSCC1 NO12012 [1,0,0,0,0,0|1,0,2]=4 85 B7R1.3 O[C@@H]1CCCNC1 NO17016 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.3 O[C@H]1CCCNC1 NO17020 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.3 S=C1COCCN1 DY732685 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.3 SC1CCOCC1 DY107026 [1,0,0,0,0,0|1,1,1]=4 89 B9R1.2 CCN1CCCC(N)C1 DY634240 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.2 CCN1CCN[C@H](C)C1 DY548511 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.2 CN1CCCC(CCl)C1 DY637082 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.2 CN1CCCC(CN)C1 NO18007 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.2 CN1CCC[C@@H](CN)C1 DY521709 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.2 CN1CCC[C@H](CO)C1 DY538503 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.2 CN1CCOC(CN)C1 NO21704 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 CN1CCO[C@@H](CO)C1 DY508436 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 CN[C@H]1CCCN(C)C1 DY542955 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.2 C[C@H]1CCOC(C=O)C1 DY586418 [0,1,0,0,0,0|1,0,1]=3 99 B9R1.2 O=C1CNC[C@@H](CO)N1 DY586385 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.2 O=C1COCC(CO)N1 NO17255 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 OCC1CNCC(F)C1 DY631784 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.3 CC1C(=O)CCCC1=O NO10132 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.3 CC1C(N)CCCN1C DY632168 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.3 CC1CCNC(C)C1Br DY427293 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.34 CC1CC(=O)CC(=O)C1 NO19597 [0,1,0,0,0,0|0,0,1]=2 106 B9R1.34 CC1CC(=O)CC(C)O1 DY425912 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.34 CC1CC(=O)NC(=O)N1 DY695387 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.34 CC1CC(O)CC(C)O1 DY586419 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.34 CN1CC(=O)NC(=O)C1 DY733177 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.34 CN1CC(O)CC(O)C1 DY634338 [0,1,0,0,0,0|1,0,2]=4 111 B9R1.34 C[C@H]1C[C@H](O)CC(=O)N1 DY586077 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.66 CC1(C)CC(=O)CCO1 NO17870 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.66 CC1(C)CCCC(=O)C1 DY10482 [0,1,0,0,0,0|0,0,0]=1 114 B9R1.66 CC1CCCC(F)(F)C1 DY569799 [0,1,0,0,0,0|1,0,1]=3 115 B9R1.66 CN1CCCC(C)(N)C1 DY513525 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.66 NC1CCCC(F)(F)C1 NO15007 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.66 NN1CCCC(F)(F)C1 DY458201 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.69 CC1CCC(N)CC1N DY822684 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.69 CC1CN(C)CCC1N DY547581 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.69 CC1CNC(=O)CC1=O NO12978 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.69 CN1CC[C@@H](N)[C@@H](F)C1 DY775162 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.69 CN1CC[C@H](N)[C@H](F)C1 DY585328 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.69 C[C@@H]1CN(C)[C@H](C)CN1 DY586595 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 C[C@H]1CC[C@@H](N)CN1C DY515895 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.69 C[C@H]1CN(C)[C@@H](C)CN1 DY586594 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.69 C[C@H]1CN(C)[C@@H](C)CN1 DY734683 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.69 C[C@H]1CN(C)[C@H](C)CN1 DY102181 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.69 C[C@H]1CN[C@H](C)CN1C DY526485 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.69 NC1CCC(=O)NC1=O NO13348 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.2 CC(=O)OC(Br)CBr DY793431 [0,0,1,0,0,0|3,0,0]=4 131 B7R0.2 CC(C)CC(=O)CN DY540483 [0,0,1,0,0,0|1,0,0]=2 132 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,0,1,0,0,0|2,0,1]=4 133 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,0,1,0,0,0|2,0,1]=4 134 B7R0.2 CC(C)NC(=O)CN DY605375 [0,0,1,0,0,0|2,0,0]=3 135 B7R0.2 CC(C)OC(=O)CO NO11522 [0,0,1,0,0,0|2,0,0]=3 136 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,0,1,0,0,0|1,0,1]=3 137 B7R0.2 CCC(=O)OC(C)=O NO16382 [0,0,1,0,0,0|2,0,1]=4 138 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,0,1,0,0,0|2,0,0]=3 139 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,0,1,0,0,0|2,0,0]=3 140 B7R0.2 CNC(C)CC(=O)O DY606375 [0,0,1,0,0,0|2,0,0]=3 141 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,0,1,0,0,0|2,0,0]=3 142 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,0,1,0,0,0|2,0,0]=3 143 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,0,1,0,0,0|2,0,0]=3 144 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,0,1,0,0,0|2,0,0]=3 145 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,0,1,0,0,0|3,0,0]=4 146 B7R0.4 C#CCCCC(=O)O NO14686 [0,0,1,0,0,0|1,0,2]=4 147 B7R0.4 CC(=O)CCCCBr NO10627 [0,0,1,0,0,0|1,0,0]=2 148 B7R0.4 CC(C)OCCCN DY546693 [0,0,1,0,0,0|2,0,1]=4 149 B7R0.4 CCCCCB(O)O NO22305 [0,0,1,0,0,0|2,0,1]=4 150 B7R0.4 CCCCCC(=O)Cl DY822275 [0,0,1,0,0,0|1,0,0]=2 151 B7R0.4 CCCCCC(C)O NO21570 [0,0,1,0,0,0|0,0,2]=3 152 B7R0.4 CCCOCC(=O)O DY425744 [0,0,1,0,0,0|2,0,0]=3 153 B7R0.4 CCCSCC(N)=O DY742801 [0,0,1,0,0,0|2,0,0]=3 154 B7R0.4 CN(C)CCCCCl DY551337 [0,0,1,0,0,0|2,0,1]=4 155 B7R0.4 CN(C)CCCCO NO22813 [0,0,1,0,0,0|1,0,2]=4 156 B7R0.4 CNCCCC(=O)O DY702793 [0,0,1,0,0,0|2,0,0]=3 157 B7R0.4 CNCCCN(C)C DY584479 [0,0,1,0,0,0|3,0,0]=4 158 B7R0.4 O=C(Cl)CCCCCl DY460464 [0,0,1,0,0,0|2,0,0]=3 159 B7R0.7 CC#CC(=O)OCC NO10117 [0,0,1,0,0,0|1,0,2]=4 160 B7R0.7 CCNC(=O)CC#N DY740641 [0,0,1,0,0,0|2,0,1]=4 161 B7R0.7 CCOC(=O)CC=O DY586084 [0,0,1,0,0,0|2,0,1]=4 162 B7R0.7 CCOC(=O)CCN NO14330 [0,0,1,0,0,0|2,0,0]=3 163 B7R0.7 CCOC(=O)CNC NO17068 [0,0,1,0,0,0|2,0,0]=3 164 B7R0.7 CCOC(=O)CNN NO19987 [0,0,1,0,0,0|3,0,0]=4 165 B7R0.7 CCOC(=O)COC NO11389 [0,0,1,0,0,0|2,0,0]=3 166 B7R0.7 O=C(CCCl)CCCl NO19912 [0,0,1,0,0,0|2,0,0]=3 167 B9R2.25 O=C1OC(=O)C2CC12 NO22387 [0,0,0,1,0,0|2,0,1]=4 168 B9R2.39 CN1C[C@H]2C[C@@H]1CN2 DY105471 [0,0,0,1,0,0|3,0,0]=4 169 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 DY573921 [0,0,0,1,0,0|1,0,1]=3 170 B9R2.39 N[C@@H]1C[C@H]2CC[C@H]1C2 DY586591 [0,0,0,1,0,0|1,0,1]=3 171 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 DY511755 [0,0,0,1,0,0|1,0,1]=3 172 B9R2.39 N[C@H]1C[C@H]2CC[C@H]1C2 DY586592 [0,0,0,1,0,0|1,0,1]=3 173 B9R2.39 O=C1CC2CC1CO2 DY506766 [0,0,0,1,0,0|1,0,0]=2 174 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 DY517035 [0,0,0,1,0,0|1,0,2]=4 175 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 DY620394 [0,0,0,1,0,0|1,0,0]=2 176 B9R2.39 OC1CC2CC1CN2 DY104240 [0,0,0,1,0,0|1,0,2]=4 177 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 DY556761 [0,0,0,1,0,0|0,0,2]=3 178 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 DY533415 [0,0,0,1,0,0|1,0,2]=4 179 B9R2.68 C1CN2CC[C@H](C2)N1 DY621272 [0,0,0,1,0,0|3,0,0]=4 180 B9R2.96 OC12CNCC(C1)C2 DY585589 [0,0,0,1,0,0|1,0,2]=4 181 B9R2.96 OC12CNCC(C1)C2 DY585590 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,0,0,0,1,0|0,0,2]=3 183 B7R1.2 CC1=CCC(=O)O1 DY562161 [0,0,0,0,1,0|1,0,2]=4 184 B7R1.2 CC1=NCC(=O)O1 DY774159 [0,0,0,0,1,0|2,0,1]=4 185 B7R1.2 CC1=NNC(=O)C1 NO16242 [0,0,0,0,1,0|2,0,1]=4 186 B7R1.2 CC1CCC(=O)N1 DY505299 [0,0,0,0,1,0|1,0,0]=2 187 B7R1.2 CC1CCC(C)N1 DY585723 [0,0,0,0,1,0|2,0,1]=4 188 B7R1.2 CN1CCC(=O)C1 NO20760 [0,0,0,0,1,0|1,0,0]=2 189 B7R1.2 CN1CC[C@@H](N)C1 DY626972 [0,0,0,0,1,0|2,0,1]=4 190 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,0,0,0,1,0|1,0,2]=4 191 B7R1.2 CN1CC[C@H](Cl)C1 DY625207 [0,0,0,0,1,0|2,0,1]=4 192 B7R1.2 CN1CC[C@H](N)C1 DY623927 [0,0,0,0,1,0|2,0,1]=4 193 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [0,0,0,0,1,0|2,0,1]=4 194 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,0,0,0,1,0|2,0,0]=3 195 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,0,0,0,1,0|1,0,2]=4 196 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,0,0,0,1,0|2,0,0]=3 197 B7R1.2 NC1CCC(O)C1 NO14798 [0,0,0,0,1,0|1,0,2]=4 198 B7R1.2 N[C@@H]1CC[C@@H](F)C1 DY519405 [0,0,0,0,1,0|2,0,1]=4 199 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,0,0,0,1,0|1,0,2]=4 200 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,0,0,0,1,0|2,0,0]=3 201 B7R1.2 N[C@H]1CC[C@@H](F)C1 DY757213 [0,0,0,0,1,0|2,0,1]=4 202 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,0,0,0,1,0|1,0,2]=4 203 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,0,0,0,1,0|1,0,2]=4 204 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [0,0,0,0,1,0|2,0,0]=3 205 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [0,0,0,0,1,0|2,0,0]=3 206 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,0,0,0,1,0|2,0,0]=3 207 B7R1.2 O=C1C=C[C@H](O)C1 DY562569 [0,0,0,0,1,0|1,0,2]=4 208 B7R1.2 O=C1CC(O)CN1 NO14706 [0,0,0,0,1,0|2,0,0]=3 209 B7R1.2 O=C1CCC(=O)C1 DY552447 [0,0,0,0,1,0|1,0,1]=3 210 B7R1.2 O=C1CCC(=O)N1 DY822949 [0,0,0,0,1,0|2,0,1]=4 211 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,0,0,0,1,0|2,0,0]=3 212 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,0,0,0,1,0|2,0,0]=3 213 B7R1.4 BrC1CCCC1Br DY585689 [0,0,0,0,1,0|2,0,1]=4 214 B7R1.4 CC1CCCC1O DY757267 [0,0,0,0,1,0|0,0,2]=3 215 B7R1.4 CC1CCOC1=O DY759320 [0,0,0,0,1,0|1,0,0]=2 216 B7R1.4 CC1OCCC1=O NO14135 [0,0,0,0,1,0|1,0,0]=2 217 B7R1.4 CN1CC=CC1=O DY717447 [0,0,0,0,1,0|1,0,2]=4 218 B7R1.4 CN1N=CCC1=O NO15601 [0,0,0,0,1,0|2,0,1]=4 219 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,0,0,0,1,0|1,0,0]=2 220 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,0,0,0,1,0|1,0,0]=2 221 B7R1.4 NC1CCCC1O NO19404 [0,0,0,0,1,0|1,0,2]=4 222 B7R1.4 NC1CONC1=O NO19264 [0,0,0,0,1,0|3,0,0]=4 223 B7R1.4 NN1CCOC1=O DY774063 [0,0,0,0,1,0|3,0,0]=4 224 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [0,0,0,0,1,0|1,0,2]=4 225 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [0,0,0,0,1,0|1,0,2]=4 226 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,0,0,0,1,0|2,0,0]=3 227 B7R1.4 N[C@@H]1CONC1=O NO22528 [0,0,0,0,1,0|3,0,0]=4 228 B7R1.4 N[C@H]1CCC[C@@H]1N DY620340 [0,0,0,0,1,0|2,0,1]=4 229 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [0,0,0,0,1,0|1,0,2]=4 230 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [0,0,0,0,1,0|1,0,2]=4 231 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,0,0,0,1,0|2,0,0]=3 232 B7R1.4 O=C1CCC=C1Br DY504081 [0,0,0,0,1,0|1,0,2]=4 233 B7R1.4 O=C1CCC=C1O NO14654 [0,0,0,0,1,0|1,0,2]=4 234 B7R1.4 O=C1CCCC1Cl DY567621 [0,0,0,0,1,0|1,0,0]=2 235 B7R1.4 O=C1NCCC1O DY444274 [0,0,0,0,1,0|2,0,0]=3 236 B7R1.4 O=C1NCC[C@@H]1O NO19486 [0,0,0,0,1,0|2,0,0]=3 237 B7R1.4 O=C1NCC[C@H]1O DY115910 [0,0,0,0,1,0|2,0,0]=3 238 B7R1.4 O[C@@H]1CCC[C@H]1F DY518337 [0,0,0,0,1,0|1,0,2]=4 239 B7R1.4 O[C@@H]1CCC[C@H]1O DY557241 [0,0,0,0,1,0|1,0,2]=4 240 B9R1.48 CC1CCNCC(C)C1 DY586365 [0,0,0,0,0,1|1,0,1]=3 241 B9R1.48 CN1CCOCC(N)C1 DY685643 [0,0,0,0,0,1|2,0,1]=4 242 B9R1.48 NC1CCCNC(=O)C1 DY743197 [0,0,0,0,0,1|1,0,0]=2 243 B9R1.48 O=C1CCCCC(=O)C1 NO20375 [0,0,0,0,0,1|1,0,1]=3 244 B9R1.48 O=C1CCCCC(=S)N1 DY568851 [0,0,0,0,0,1|2,0,1]=4 245 B9R1.49 CN1CCCC(=O)CC1 NO13899 [0,0,0,0,0,1|1,0,0]=2 246 B9R1.49 CN1CCCC(O)CC1 DY685139 [0,0,0,0,0,1|1,0,2]=4 247 B9R1.49 CN1CCCC(O)CC1 NO13879 [0,0,0,0,0,1|1,0,2]=4 248 B9R1.49 O=C1CCCC(O)CN1 DY743185 [0,0,0,0,0,1|1,0,0]=2 249 B6R0.1 CC(CN)CCN DY791871 [1,0,1,0,0,0|2,0,0]=4 250 B6R0.1 CCCC(=O)NN NO22544 [1,0,1,0,0,0|2,0,0]=4 251 B6R0.1 CCCC(C)CBr DY112368 [1,0,1,0,0,0|1,0,0]=3 252 B6R0.1 CCCC(O)CO NO20495 [1,0,1,0,0,0|1,0,1]=4 253 B6R0.1 CCNC(=O)CN DY461322 [1,0,1,0,0,0|2,0,0]=4 254 B6R0.1 CCOC(=O)CC DY460554 [1,0,1,0,0,0|1,0,0]=3 255 B6R0.1 CCOC(=O)CN DY700831 [1,0,1,0,0,0|2,0,0]=4 256 B6R0.1 CCOC(=O)CN NO15347 [1,0,1,0,0,0|2,0,0]=4 257 B6R0.1 CCOC(=O)CO NO11386 [1,0,1,0,0,0|2,0,0]=4 258 B6R0.1 COC(=O)CCCl DY741043 [1,0,1,0,0,0|2,0,0]=4 259 B6R0.1 COC(=O)CCN NO22266 [1,0,1,0,0,0|2,0,0]=4 260 B6R0.1 COC(=O)CSC DY460536 [1,0,1,0,0,0|2,0,0]=4 261 B6R0.2 CC(=O)NC(C)C DY461094 [1,0,1,0,0,0|1,0,0]=3 262 B6R0.2 CC(C)CC(C)N DY822361 [1,0,1,0,0,0|1,0,1]=4 263 B6R0.2 CC(O)CC(=O)[O-] DY460020 [1,0,1,0,0,0|2,0,0]=4 264 B6R0.2 CN(C)CC(=O)O NO13413 [1,0,1,0,0,0|2,0,0]=4 265 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [1,0,1,0,0,0|2,0,0]=4 266 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [1,0,1,0,0,0|2,0,0]=4 267 B6R0.2 C[C@H](N)CC(=O)O NO20346 [1,0,1,0,0,0|2,0,0]=4 268 B6R0.2 C[C@H](O)CC(=O)O DY426021 [1,0,1,0,0,0|2,0,0]=4 269 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [1,0,1,0,0,0|2,0,0]=4 270 B6R0.4 C=COCC(C)C DY822723 [1,0,1,0,0,0|1,0,1]=4 271 B6R0.4 CC(=O)CCCBr NO10305 [1,0,1,0,0,0|1,0,0]=3 272 B6R0.4 CC(=O)CCCCl NO10334 [1,0,1,0,0,0|1,0,0]=3 273 B6R0.4 CC(=O)NCCCl DY33011 [1,0,1,0,0,0|2,0,0]=4 274 B6R0.4 CC(C)CCCBr DY740443 [1,0,1,0,0,0|1,0,0]=3 275 B6R0.4 CC(C)NCCN DY20461 [1,0,1,0,0,0|2,0,0]=4 276 B6R0.4 CCCCC(C)O DY740779 [1,0,1,0,0,0|0,0,2]=4 277 B6R0.4 CCCC[SiH](C)C DY500283 [1,0,1,0,0,0|0,1,1]=4 278 B6R0.4 CCNCC(C)C DY564723 [1,0,1,0,0,0|1,0,0]=3 279 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,1,0,0,0|0,0,2]=4 280 B6R0.4 CN(C)CCCBr NO22184 [1,0,1,0,0,0|2,0,0]=4 281 B6R0.4 CN(C)CCCCl NO13505 [1,0,1,0,0,0|2,0,0]=4 282 B6R0.4 CN(C)CCCCl NO14943 [1,0,1,0,0,0|2,0,0]=4 283 B6R0.4 CNCCC(C)C DY543681 [1,0,1,0,0,0|1,0,1]=4 284 B6R0.4 CNCCC(C)C DY553713 [1,0,1,0,0,0|1,0,1]=4 285 B6R0.4 CSCCC(C)=O DY740809 [1,0,1,0,0,0|1,0,0]=3 286 B6R0.4 NCCCC(=O)O NO14998 [1,0,1,0,0,0|2,0,0]=4 287 B6R0.4 O=C(O)CCCBr NO14053 [1,0,1,0,0,0|2,0,0]=4 288 B6R0.6 C=CCCCCCl DY427568 [1,0,1,0,0,0|1,0,1]=4 289 B6R0.6 C=CCCCCO NO10397 [1,0,1,0,0,0|1,0,1]=4 290 B6R0.6 CCCCON=O DY461106 [1,0,1,0,0,0|2,0,0]=4 291 B6R0.6 CCCCSCC DY740893 [1,0,1,0,0,0|1,0,1]=4 292 B6R0.6 CCCOCCO DY740785 [1,0,1,0,0,0|2,0,0]=4 293 B6R0.6 CNCCCCBr DY741283 [1,0,1,0,0,0|2,0,0]=4 294 B6R0.6 CNCCCCO DY554133 [1,0,1,0,0,0|2,0,0]=4 295 B6R0.6 COCCCCBr NO22933 [1,0,1,0,0,0|2,0,0]=4 296 B6R0.6 COCCCCO DY741295 [1,0,1,0,0,0|2,0,0]=4 297 B6R0.6 COCCCOC DY792147 [1,0,1,0,0,0|2,0,0]=4 298 B6R0.6 O=CCCCC=O DY822316 [1,0,1,0,0,0|1,0,1]=4 299 B6R0.6 O=CCCCCBr DY510224 [1,0,1,0,0,0|1,0,0]=3 300 B6R1.1 C1=CCNCC1 DY444071 [2,0,0,0,0,0|1,0,1]=4 301 B6R1.1 C1=CCSCC1 DY427366 [2,0,0,0,0,0|1,0,1]=4 302 B6R1.1 C1=COCCC1 DY20500 [2,0,0,0,0,0|1,0,1]=4 303 B6R1.1 C1CCNCC1 DY822173 [2,0,0,0,0,0|1,0,0]=3 304 B6R1.1 C1CCNNC1 DY586554 [2,0,0,0,0,0|2,0,0]=4 305 B6R1.1 C1CCNNC1 NO17893 [2,0,0,0,0,0|2,0,0]=4 306 B6R1.1 C1CCSCC1 DY822278 [2,0,0,0,0,0|1,0,0]=3 307 B6R1.1 C1CNCOC1 DY524601 [2,0,0,0,0,0|2,0,0]=4 308 B6R1.1 C1COCCN1 DY20726 [2,0,0,0,0,0|2,0,0]=4 309 B6R1.1 C1COCOC1 DY822672 [2,0,0,0,0,0|2,0,0]=4 310 B6R1.1 C1CSCCN1 DY20759 [2,0,0,0,0,0|2,0,0]=4 311 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O DY437802 [0,1,1,0,0,0|1,0,0]=3 312 B8R0.2 COC(=O)C(Br)C(C)C NO11601 [0,1,1,0,0,0|1,0,0]=3 313 B8R0.2 COC(=O)C(N)C(C)O NO17155 [0,1,1,0,0,0|2,0,0]=4 314 B8R0.2 COC(=O)[C@@H](N)C(C)C NO22265 [0,1,1,0,0,0|1,0,0]=3 315 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O NO17112 [0,1,1,0,0,0|2,0,0]=4 316 B8R0.2 COC(=O)[C@H](N)C(C)C DY438304 [0,1,1,0,0,0|1,0,0]=3 317 B8R0.2 COC(=O)[C@H](N)C(C)C NO13949 [0,1,1,0,0,0|1,0,0]=3 318 B8R0.2 COC(=O)[C@H](N)[C@H](C)O NO15233 [0,1,1,0,0,0|2,0,0]=4 319 B8R0.2 COC(C)C(Br)C(=O)O DY797457 [0,1,1,0,0,0|2,0,0]=4 320 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O DY740365 [0,1,1,0,0,0|2,0,0]=4 321 B8R0.5 CC(C)OC(=O)OCCl NO19003 [0,1,1,0,0,0|2,0,0]=4 322 B8R0.5 CCOC(=O)C=C(C)C NO11345 [0,1,1,0,0,0|0,0,2]=4 323 B8R0.5 CCOC(=O)CC(C)O NO11353 [0,1,1,0,0,0|1,0,0]=3 324 B8R0.5 CCOC(=O)CC(F)F DY586521 [0,1,1,0,0,0|2,0,0]=4 325 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [0,1,1,0,0,0|1,0,0]=3 326 B8R0.5 CCOC(=O)OC(C)Cl NO20668 [0,1,1,0,0,0|2,0,0]=4 327 B8R0.5 COCC(C)OC(C)=O DY822378 [0,1,1,0,0,0|1,0,0]=3 328 B8R0.19 CCC(=O)CC(=O)CC NO22007 [0,1,1,0,0,0|1,0,1]=4 329 B8R0.19 CCC(=O)CC(=O)OC NO18389 [0,1,1,0,0,0|1,0,1]=4 330 B8R0.19 CCN(C)CC(C)CN DY604863 [0,1,1,0,0,0|2,0,0]=4 331 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [0,1,1,0,0,0|1,0,0]=3 332 B8R0.19 COC(=O)C[C@@H](O)CCl NO18252 [0,1,1,0,0,0|2,0,0]=4 333 B8R0.19 COC(=O)C[C@H](O)CO DY627328 [0,1,1,0,0,0|2,0,0]=4 334 B8R0.23 C=C(CC(C)C)C(C)=O DY740959 [0,1,1,0,0,0|1,0,1]=4 335 B8R0.23 CC(C)C(C)CC(=O)O DY112320 [0,1,1,0,0,0|1,0,0]=3 336 B8R0.23 CC(C)OC(=O)[C@H](C)N NO14281 [0,1,1,0,0,0|1,0,0]=3 337 B8R0.24 CC(C)(C)OC(=O)CCl DY822344 [0,1,1,0,0,0|2,0,0]=4 338 B8R0.24 CC(C)(C)OC(=O)CN NO15473 [0,1,1,0,0,0|2,0,0]=4 339 B8R0.24 CC(C)(C)OC(=O)CN NO22257 [0,1,1,0,0,0|2,0,0]=4 340 B8R0.24 CC(C)(C)OC(=O)CO NO21767 [0,1,1,0,0,0|2,0,0]=4 341 B8R0.24 CCC(=O)OC(C)(C)C DY461112 [0,1,1,0,0,0|1,0,0]=3 342 B8R0.24 COC(=O)CC(C)(C)C DY502731 [0,1,1,0,0,0|1,0,0]=3 343 B8R0.24 COC(=O)CC(C)(C)N DY740383 [0,1,1,0,0,0|1,0,0]=3 344 B8R0.34 CC(C)(CN)CC(=O)O DY578367 [0,1,1,0,0,0|2,0,0]=4 345 B8R0.6 CCCCNC(=O)CCl NO11766 [0,1,1,0,0,0|1,0,0]=3 346 B8R0.6 NCC(=O)NCCCO DY741271 [0,1,1,0,0,0|2,0,0]=4 347 B8R0.6 O=CCCCC(O)C=O DY822725 [0,1,1,0,0,0|1,0,1]=4 348 B8R0.7 CCCCCCC(=O)O DY822462 [0,1,1,0,0,0|1,0,0]=3 349 B8R0.7 CCCCCC[C@H](C)O DY626179 [0,1,1,0,0,0|0,0,2]=4 350 B8R0.7 CCOCCOC(=O)Cl DY797049 [0,1,1,0,0,0|2,0,0]=4 351 B8R0.7 CSCCCCC(=O)O DY112374 [0,1,1,0,0,0|1,0,0]=3 352 B8R0.7 NCCCCCC(=O)O NO13381 [0,1,1,0,0,0|1,0,0]=3 353 B8R0.7 NCCOCCC(=O)O DY739157 [0,1,1,0,0,0|2,0,0]=4 354 B8R0.7 O=C(O)CCCCCBr NO18405 [0,1,1,0,0,0|1,0,0]=3 355 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,1,1,0,0,0|1,0,0]=3 356 B8R0.8 CSCCC(N)C(=O)O DY500936 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [0,1,1,0,0,0|2,0,0]=4 358 B8R0.8 NCCC[C@@H](N)C(=O)O DY550209 [0,1,1,0,0,0|2,0,0]=4 359 B8R0.8 NCCC[C@H](N)C(=O)O NO22279 [0,1,1,0,0,0|2,0,0]=4 360 B8R0.9 COC(C)COC(C)=O DY822690 [0,1,1,0,0,0|2,0,0]=4 361 B8R0.21 CCCCCS(=O)(=O)[O-] DY445019 [0,1,1,0,0,0|2,0,0]=4 362 B8R0.21 CCCCCS(=O)(=O)[O-] DY445025 [0,1,1,0,0,0|2,0,0]=4 363 B8R0.21 CS(=O)(=O)CCCCN DY116558 [0,1,1,0,0,0|2,0,0]=4 364 B8R0.28 CC(=O)CCC=C(C)C DY506172 [0,1,1,0,0,0|0,0,2]=4 365 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,1,1,0,0,0|1,0,1]=4 366 B8R0.28 CC(C)CCCC(=O)O DY564243 [0,1,1,0,0,0|0,0,0]=2 367 B8R0.28 CC(C)CCCC(C)N DY822701 [0,1,1,0,0,0|1,0,1]=4 368 B8R0.28 CN(C)CCCC(=O)O NO18615 [0,1,1,0,0,0|1,0,0]=3 369 B8R0.1 C#CCCC(=O)CCC DY822712 [0,1,1,0,0,0|0,0,1]=3 370 B8R0.1 CCC#CC(=O)OCC DY560139 [0,1,1,0,0,0|1,0,1]=4 371 B8R0.1 CCOC(=O)CCCCl DY822383 [0,1,1,0,0,0|1,0,0]=3 372 B8R0.1 CCOC(=O)CCCO DY111642 [0,1,1,0,0,0|1,0,0]=3 373 B8R0.1 CCOCC(=O)OCC DY461136 [0,1,1,0,0,0|1,0,0]=3 374 B8R0.1 CNCC(=O)NCCO DY741259 [0,1,1,0,0,0|2,0,0]=4 375 B8R0.3 CCNC(=O)[C@@H](N)CC DY116564 [0,1,1,0,0,0|1,0,0]=3 376 B8R0.3 CCOC(=O)C(=O)CC NO13439 [0,1,1,0,0,0|1,0,1]=4 377 B8R0.3 CCOC(=O)C(Br)CBr DY551433 [0,1,1,0,0,0|2,0,0]=4 378 B8R0.3 CCOC(=O)C(Br)OC DY556005 [0,1,1,0,0,0|2,0,0]=4 379 B8R0.3 CCOC(=O)C(N)CO DY439193 [0,1,1,0,0,0|2,0,0]=4 380 B8R0.3 CCOC(=O)[C@@H](N)CO DY553761 [0,1,1,0,0,0|2,0,0]=4 381 B8R0.3 CCOC(=O)[C@@H](N)CO NO17107 [0,1,1,0,0,0|2,0,0]=4 382 B8R0.3 CCOC(=O)[C@H](N)CO NO13449 [0,1,1,0,0,0|2,0,0]=4 383 B8R0.3 O=CC[C@H](O)[C@H](O)CO NO21863 [0,1,1,0,0,0|2,0,0]=4 384 B8R1.2 BrCC1CCCCC1 NO19887 [1,1,0,0,0,0|0,0,1]=3 385 B8R1.2 BrCC1CCNCC1 DY586644 [1,1,0,0,0,0|1,0,1]=4 386 B8R1.2 BrCC1CCOCC1 DY514587 [1,1,0,0,0,0|1,0,1]=4 387 B8R1.2 BrC[C@@H]1COCCO1 DY585231 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.2 Br[Zn]C1CCCCC1 DY121343 [1,1,0,0,0,0|1,0,1]=4 389 B8R1.2 C#CC1CCCOC1 DY104582 [1,1,0,0,0,0|1,0,1]=4 390 B8R1.2 CCC1CCNCC1 DY602027 [1,1,0,0,0,0|1,0,1]=4 391 B8R1.2 CCC1CNCCO1 DY731791 [1,1,0,0,0,0|2,0,0]=4 392 B8R1.2 CC[C@@H]1CCCCN1 DY622095 [1,1,0,0,0,0|1,0,1]=4 393 B8R1.2 CC[C@@H]1CNCCO1 DY444035 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.2 CC[C@@H]1COCCN1 DY20812 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.2 CC[C@H]1CCCCN1 DY624979 [1,1,0,0,0,0|1,0,1]=4 396 B8R1.2 CNC1CCC=CO1 DY795717 [1,1,0,0,0,0|1,0,1]=4 397 B8R1.2 CNC1CCNCC1 DY512505 [1,1,0,0,0,0|1,0,1]=4 398 B8R1.2 CNC1CCNCC1 DY641666 [1,1,0,0,0,0|1,0,1]=4 399 B8R1.2 CNC1CCOCC1 NO15192 [1,1,0,0,0,0|1,0,1]=4 400 B8R1.2 COC1=CCCCC1 DY789345 [1,1,0,0,0,0|0,0,2]=4 401 B8R1.2 COC1=NCCCC1 DY711079 [1,1,0,0,0,0|1,0,1]=4 402 B8R1.2 COC1CCC=CO1 DY822724 [1,1,0,0,0,0|1,0,1]=4 403 B8R1.2 ClCC1CCCCC1 DY788085 [1,1,0,0,0,0|0,0,1]=3 404 B8R1.2 ClCC1CCCOC1 DY585697 [1,1,0,0,0,0|1,0,0]=3 405 B8R1.2 FC[C@@H]1CCCCN1 DY586647 [1,1,0,0,0,0|1,0,1]=4 406 B8R1.2 ICC1CCCCN1 DY635594 [1,1,0,0,0,0|1,0,1]=4 407 B8R1.2 N#CN1CCCCC1 DY775156 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.2 NCC1CCCCC1 DY20908 [1,1,0,0,0,0|0,0,1]=3 409 B8R1.2 NCC1CCCNC1 DY568713 [1,1,0,0,0,0|1,0,0]=3 410 B8R1.2 NCC1CCCNC1 DY641787 [1,1,0,0,0,0|1,0,0]=3 411 B8R1.2 NCC1CCCOC1 NO18439 [1,1,0,0,0,0|1,0,0]=3 412 B8R1.2 NCC1CCOCC1 NO18584 [1,1,0,0,0,0|1,0,1]=4 413 B8R1.2 NCC1CCSCC1 DY102976 [1,1,0,0,0,0|1,0,1]=4 414 B8R1.2 NCC1CNCCN1 DY517005 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.2 NCC1COCCN1 DY580905 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.2 NC[C@H]1CCCOC1 DY105501 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.2 NNC1CCCCC1 DY822741 [1,1,0,0,0,0|1,0,1]=4 418 B8R1.2 O=CC1=CCCOC1 NO10171 [1,1,0,0,0,0|1,0,1]=4 419 B8R1.2 O=CC1CCCCC1 DY20143 [1,1,0,0,0,0|0,0,1]=3 420 B8R1.2 O=CC1CCCOC1 DY442323 [1,1,0,0,0,0|1,0,1]=4 421 B8R1.2 O=CC1CCCSC1 DY563535 [1,1,0,0,0,0|1,0,1]=4 422 B8R1.2 O=CN1CCNCC1 DY571431 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.2 O=CN1CCOCC1 NO11780 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.2 O=C[C@@H]1CCCOC1 DY585694 [1,1,0,0,0,0|1,0,1]=4 425 B8R1.2 O=C[C@H]1CCCOC1 DY585690 [1,1,0,0,0,0|1,0,1]=4 426 B8R1.2 OCC1CCC=CO1 DY20505 [1,1,0,0,0,0|1,0,1]=4 427 B8R1.2 OCC1CCCCC1 DY20144 [1,1,0,0,0,0|0,0,1]=3 428 B8R1.2 OCC1CCCCN1 NO21780 [1,1,0,0,0,0|1,0,1]=4 429 B8R1.2 OCC1CCCNC1 NO22817 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.2 OCC1CCNCC1 NO22819 [1,1,0,0,0,0|1,0,1]=4 431 B8R1.2 OCC1CNCCO1 NO15312 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.2 OC[C@@H]1CNCCO1 NO14518 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.2 OC[C@@H]1COCCN1 DY539919 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.2 OC[C@@H]1COCCN1 NO15269 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.2 OC[C@H]1CCCNC1 NO15958 [1,1,0,0,0,0|1,0,0]=3 436 B8R1.2 OC[C@H]1COCCN1 NO15280 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.2 ON=C1CCOCC1 DY563223 [1,1,0,0,0,0|1,0,1]=4 438 B8R1.3 C=C1CCC(=C)CC1 DY789615 [1,1,0,0,0,0|1,0,1]=4 439 B8R1.3 CC1CCC(=O)OC1 DY777526 [1,1,0,0,0,0|1,0,0]=3 440 B8R1.3 CC1CCC(O)CC1 DY562059 [1,1,0,0,0,0|0,0,1]=3 441 B8R1.3 CC1CCN(N)CC1 DY535737 [1,1,0,0,0,0|1,0,1]=4 442 B8R1.3 CN1CCC(=O)CC1 DY634332 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.3 CN1CCC(=O)CC1 NO18410 [1,1,0,0,0,0|1,0,0]=3 444 B8R1.3 CN1CCC(N)CC1 NO18628 [1,1,0,0,0,0|1,0,1]=4 445 B8R1.3 CN1CCC(O)CC1 NO13491 [1,1,0,0,0,0|1,0,1]=4 446 B8R1.3 C[C@H]1CC[C@@H](O)CN1 DY542115 [1,1,0,0,0,0|1,0,1]=4 447 B8R1.3 C[C@H]1CN[C@H](C)CN1 NO14078 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.3 C[C@H]1CO[C@@H](C)CN1 DY107002 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.3 C[C@H]1CO[C@H](C)CN1 DY620618 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.3 NC1CCC(=O)CC1 NO22583 [1,1,0,0,0,0|0,0,0]=2 451 B8R1.3 NC1CCC(=O)NC1 DY444382 [1,1,0,0,0,0|1,0,0]=3 452 B8R1.3 NC1CCC(O)CC1 DY585958 [1,1,0,0,0,0|0,0,2]=4 453 B8R1.3 NC1CCC(O)CC1 NO18581 [1,1,0,0,0,0|0,0,2]=4 454 B8R1.3 N[C@H]1CC[C@@H](N)CC1 DY20732 [1,1,0,0,0,0|1,0,1]=4 455 B8R1.3 N[C@H]1CC[C@@H](O)CC1 NO15381 [1,1,0,0,0,0|0,0,2]=4 456 B8R1.3 N[C@H]1CC[C@H](N)CC1 NO18629 [1,1,0,0,0,0|1,0,1]=4 457 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO12038 [1,1,0,0,0,0|0,0,2]=4 458 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO18592 [1,1,0,0,0,0|0,0,2]=4 459 B8R1.3 N[C@H]1CC[S@H+]([O-])CC1 DY585300 [1,1,0,0,0,0|1,0,1]=4 460 B8R1.3 O=C1CCC(=O)CC1 NO19236 [1,1,0,0,0,0|0,0,1]=3 461 B8R1.3 O=C1CCC(=O)NC1 NO21155 [1,1,0,0,0,0|1,0,1]=4 462 B8R1.3 O=C1CCC(O)CC1 NO22889 [1,1,0,0,0,0|0,0,0]=2 463 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [1,1,0,0,0,0|1,0,0]=3 464 B8R1.3 O[C@H]1CC[C@@H](F)CC1 DY585400 [1,1,0,0,0,0|0,0,2]=4 465 B8R1.5 BrC1CCCCC1Br NO20488 [1,1,0,0,0,0|1,0,1]=4 466 B8R1.5 Br[C@@H]1CCCC[C@H]1Br DY756619 [1,1,0,0,0,0|1,0,1]=4 467 B8R1.5 CC1CNCCC1O DY549411 [1,1,0,0,0,0|1,0,0]=3 468 B8R1.5 CC1NCCNC1=O DY543543 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.5 CN1CCCNC1=O DY502023 [1,1,0,0,0,0|2,0,0]=4 470 B8R1.5 CN1CCNCC1=O DY734647 [1,1,0,0,0,0|2,0,0]=4 471 B8R1.5 CN1CCNCC1=O NO17040 [1,1,0,0,0,0|2,0,0]=4 472 B8R1.5 CN1CCNCC1=O NO18390 [1,1,0,0,0,0|2,0,0]=4 473 B8R1.5 C[C@@H]1COCC[C@@H]1N DY567579 [1,1,0,0,0,0|1,0,0]=3 474 B8R1.5 C[C@H]1CCCC[C@H]1N DY540861 [1,1,0,0,0,0|0,0,1]=3 475 B8R1.5 C[C@H]1CCNC[C@H]1O DY103745 [1,1,0,0,0,0|1,0,1]=4 476 B8R1.5 NC1CCCCC1N DY756925 [1,1,0,0,0,0|1,0,1]=4 477 B8R1.5 NC1CCCCC1N DY822566 [1,1,0,0,0,0|1,0,1]=4 478 B8R1.5 NC1CCCCC1N DY822654 [1,1,0,0,0,0|1,0,1]=4 479 B8R1.5 NC1CCOCC1F DY459065 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.5 N[C@@H]1CCCC[C@@H]1O NO12548 [1,1,0,0,0,0|0,0,2]=4 481 B8R1.5 N[C@@H]1CCCC[C@H]1F DY586539 [1,1,0,0,0,0|1,0,1]=4 482 B8R1.5 N[C@@H]1CCCC[C@H]1N DY507005 [1,1,0,0,0,0|1,0,1]=4 483 B8R1.5 N[C@@H]1CCCC[C@H]1N DY538371 [1,1,0,0,0,0|1,0,1]=4 484 B8R1.5 N[C@@H]1CCCC[C@H]1N DY564255 [1,1,0,0,0,0|1,0,1]=4 485 B8R1.5 N[C@@H]1CCCC[C@H]1O DY584529 [1,1,0,0,0,0|0,0,2]=4 486 B8R1.5 N[C@@H]1CCCC[C@H]1O NO12403 [1,1,0,0,0,0|0,0,2]=4 487 B8R1.5 N[C@@H]1CCCC[C@H]1O NO18590 [1,1,0,0,0,0|0,0,2]=4 488 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [1,1,0,0,0,0|1,0,0]=3 489 B8R1.5 N[C@@H]1COCC[C@@H]1O DY529857 [1,1,0,0,0,0|2,0,0]=4 490 B8R1.5 N[C@@H]1COCC[C@H]1O DY519045 [1,1,0,0,0,0|2,0,0]=4 491 B8R1.5 N[C@H]1CCCC[C@@H]1O DY20824 [1,1,0,0,0,0|0,0,2]=4 492 B8R1.5 N[C@H]1CCCC[C@@H]1O NO14928 [1,1,0,0,0,0|0,0,2]=4 493 B8R1.5 N[C@H]1CCCC[C@H]1N DY620142 [1,1,0,0,0,0|1,0,1]=4 494 B8R1.5 N[C@H]1CCCC[C@H]1O DY20710 [1,1,0,0,0,0|0,0,2]=4 495 B8R1.5 N[C@H]1CCCC[C@H]1O NO12547 [1,1,0,0,0,0|0,0,2]=4 496 B8R1.5 N[C@H]1CCCNC1=O DY106744 [1,1,0,0,0,0|1,0,0]=3 497 B8R1.5 N[C@H]1CCCNC1=O DY554319 [1,1,0,0,0,0|1,0,0]=3 498 B8R1.5 N[C@H]1CCOC[C@H]1F DY529293 [1,1,0,0,0,0|2,0,0]=4 499 B8R1.5 N[C@H]1CCOC[C@H]1F DY535515 [1,1,0,0,0,0|2,0,0]=4 500 B8R1.5 N[C@H]1CCOC[C@H]1O DY102103 [1,1,0,0,0,0|2,0,0]=4 501 B8R1.5 N[C@H]1CCOC[C@H]1O DY621122 [1,1,0,0,0,0|2,0,0]=4 502 B8R1.5 O=C1CCCCC1=O NO20486 [1,1,0,0,0,0|0,0,1]=3 503 B8R1.5 O=C1CCCCC1Br DY573183 [1,1,0,0,0,0|0,0,0]=2 504 B8R1.5 O=C1CCCCN1O DY822177 [1,1,0,0,0,0|1,0,0]=3 505 B8R1.5 O=C1CCOCC1F DY458969 [1,1,0,0,0,0|1,0,0]=3 506 B8R1.5 O=C1NCCCC1O NO19689 [1,1,0,0,0,0|1,0,0]=3 507 B8R1.5 O=C1NCCC[C@H]1O DY541749 [1,1,0,0,0,0|1,0,0]=3 508 B8R1.5 O=C1OCCCC1O NO16147 [1,1,0,0,0,0|1,0,0]=3 509 B8R1.5 OC1CNCCC1F DY638684 [1,1,0,0,0,0|2,0,0]=4 510 B8R1.5 O[C@@H]1CCCC[C@H]1O NO12029 [1,1,0,0,0,0|0,0,2]=4 511 B8R1.5 O[C@@H]1CCNC[C@H]1O DY116420 [1,1,0,0,0,0|2,0,0]=4 512 B8R1.5 O[C@H]1CCNC[C@H]1F DY586636 [1,1,0,0,0,0|2,0,0]=4 513 B8R1.5 O[C@H]1CNCC[C@H]1F DY621098 [1,1,0,0,0,0|2,0,0]=4 514 B8R1.72 CC1(Br)CCCCC1 DY584406 [1,1,0,0,0,0|0,0,1]=3 515 B8R1.72 CC1(C)CCCNC1 DY510344 [1,1,0,0,0,0|1,0,0]=3 516 B8R1.72 CC1(C)CCNCC1 DY586635 [1,1,0,0,0,0|1,0,1]=4 517 B8R1.72 CC1(C)CCNCC1 NO13819 [1,1,0,0,0,0|1,0,1]=4 518 B8R1.72 CC1(C)CNCCN1 NO18507 [1,1,0,0,0,0|2,0,0]=4 519 B8R1.72 CC1(C)COCCN1 NO21909 [1,1,0,0,0,0|2,0,0]=4 520 B8R1.72 CC1(N)CCOCC1 NO14346 [1,1,0,0,0,0|1,0,1]=4 521 B8R1.72 CC1(O)CCOCC1 NO12641 [1,1,0,0,0,0|1,0,1]=4 522 B8R1.72 FC1(Br)CCCCC1 DY797283 [1,1,0,0,0,0|1,0,1]=4 523 B8R1.72 FC1(F)CCCNC1 NO21902 [1,1,0,0,0,0|2,0,0]=4 524 B8R1.72 O=S1(=O)CCCCN1 DY428209 [1,1,0,0,0,0|2,0,0]=4 525 B8R1.1 CCC1COC(=O)N1 DY607707 [0,1,0,0,1,0|2,0,0]=4 526 B8R1.1 CN1CC[C@H](CN)C1 DY104144 [0,1,0,0,1,0|2,0,0]=4 527 B8R1.1 N#C[C@@H]1CCC(=O)C1 DY533241 [0,1,0,0,1,0|0,0,1]=3 528 B8R1.1 NCC1CNC(=O)O1 DY529719 [0,1,0,0,1,0|2,0,0]=4 529 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 DY582081 [0,1,0,0,1,0|0,0,2]=4 530 B8R1.1 NC[C@H]1CNC(=O)C1 DY529623 [0,1,0,0,1,0|1,0,0]=3 531 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,1,0,0,1,0|1,0,0]=3 532 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,1,0,0,1,0|1,0,0]=3 533 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,1,0,0,1,0|1,0,0]=3 534 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,1,0,0,1,0|1,0,0]=3 535 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,1,0,0,1,0|2,0,0]=4 536 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,1,0,0,1,0|2,0,0]=4 537 B8R1.50 CC1=C(O)C(=O)CC1 NO16508 [0,1,0,0,1,0|0,0,2]=4 538 B8R1.50 CC1C(=O)CCC1=O NO21655 [0,1,0,0,1,0|1,0,1]=4 539 B8R1.51 CC1(C)CNC(=O)C1 NO22480 [0,1,0,0,1,0|1,0,0]=3 540 B8R1.51 CC1(O)CNC(=O)C1 DY559053 [0,1,0,0,1,0|1,0,0]=3 541 B8R1.51 NC1CCS(=O)(=O)C1 NO22113 [0,1,0,0,1,0|2,0,0]=4 542 B8R1.51 O=C1CCS(=O)(=O)C1 NO20460 [0,1,0,0,1,0|2,0,0]=4 543 B8R1.11 CN1CCCC1CO NO14186 [0,1,0,0,1,0|2,0,0]=4 544 B8R1.11 CN1CCC[C@H]1CCl DY664952 [0,1,0,0,1,0|2,0,0]=4 545 B8R1.11 CN1CCC[C@H]1CO NO22816 [0,1,0,0,1,0|2,0,0]=4 546 B8R1.11 N#CC1CCCC1=O NO20047 [0,1,0,0,1,0|0,0,1]=3 547 B8R1.11 NN1CCC[C@H]1CO DY623433 [0,1,0,0,1,0|2,0,0]=4 548 B8R1.19 CC1(C)CCCC1N DY540435 [0,1,0,0,1,0|1,0,1]=4 549 B10R1.8 CCN1CC(=O)O[C@@H](C)C1 DY625357 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.113 CC(=O)N1CCC[C@@H](O)C1 DY626732 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.113 CC(C)C1CC(=O)CCN1 DY774399 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.113 CC(C)C1CCCC(=O)C1 DY756979 [0,2,0,0,0,0|0,0,0]=2 553 B10R1.113 CC(C)C1CCCC(=O)N1 DY585707 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 DY501044 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.113 CC(C)[C@H]1COCC(=O)N1 DY516069 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 NO13084 [0,2,0,0,0,0|1,0,1]=4 557 B10R1.113 NC1CCCC(C(=O)O)C1 NO19619 [0,2,0,0,0,0|1,0,1]=4 558 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO14264 [0,2,0,0,0,0|1,0,1]=4 559 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO17221 [0,2,0,0,0,0|1,0,1]=4 560 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 NO17237 [0,2,0,0,0,0|1,0,1]=4 561 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 DY540669 [0,2,0,0,0,0|1,0,1]=4 562 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 DY113049 [0,2,0,0,0,0|1,0,1]=4 563 B10R1.171 NCC1CCCC(F)(F)C1 DY520695 [0,2,0,0,0,0|1,0,1]=4 564 B10R1.245 CC1CCNC(=O)C1CN DY637076 [0,2,0,0,0,0|1,0,0]=3 565 B10R1.329 CC1(C)CC(=O)NC(=O)C1 DY461082 [0,2,0,0,0,0|1,0,1]=4 566 B10R1.25 CC1=CC(C)C(C=O)CC1 DY822722 [0,2,0,0,0,0|1,0,1]=4 567 B10R1.25 CCC1CNC(=O)CC1O DY639106 [0,2,0,0,0,0|2,0,0]=4 568 B8R1.29 CC1C(=O)NC1(C)C DY720526 [0,0,1,1,0,0|1,0,0]=3 569 B8R1.34 CC(=O)NC1CNC1 DY502431 [0,0,1,1,0,0|2,0,0]=4 570 B8R1.34 O=C(O)CC1CCC1 NO11177 [0,0,1,1,0,0|1,0,0]=3 571 B8R1.34 O=C(O)CC1CCN1 DY584158 [0,0,1,1,0,0|2,0,0]=4 572 B8R1.34 O=C(O)CN1CCC1 DY719380 [0,0,1,1,0,0|2,0,0]=4 573 B8R1.40 NCC(=O)NC1CC1 DY511215 [0,0,1,1,0,0|2,0,0]=4 574 B8R1.42 O=C(O)CC1(O)CC1 DY580923 [0,0,1,1,0,0|2,0,0]=4 575 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [0,0,1,1,0,0|1,0,0]=3 576 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [0,0,1,1,0,0|1,0,0]=3 577 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C DY586274 [0,0,1,1,0,0|1,0,0]=3 578 B8R1.83 COC(=O)C1CC1Br DY430638 [0,0,1,1,0,0|2,0,0]=4 579 B8R1.6 CCCC1CC(=O)C1 DY561087 [0,0,1,1,0,0|0,0,0]=2 580 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,0,1,1,0,0|0,0,0]=2 581 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,0,1,1,0,0|0,0,0]=2 582 B8R1.7 CC(=O)C1CCCO1 DY586599 [0,0,1,1,0,0|1,0,0]=3 583 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [0,0,1,1,0,0|1,0,0]=3 584 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [0,0,1,1,0,0|1,0,0]=3 585 B8R1.7 CC(O)C1CCCC1 DY757207 [0,0,1,1,0,0|0,0,2]=4 586 B8R1.7 N=C(N)C1CCCC1 DY585765 [0,0,1,1,0,0|2,0,0]=4 587 B8R1.7 NC(=O)C1CCCC1 DY794313 [0,0,1,1,0,0|1,0,0]=3 588 B8R1.7 NC(=O)C1CCNC1 DY555753 [0,0,1,1,0,0|2,0,0]=4 589 B8R1.7 NC(=O)C1CCNC1 DY565263 [0,0,1,1,0,0|2,0,0]=4 590 B8R1.7 NC(=O)N1CCCC1 DY717045 [0,0,1,1,0,0|2,0,0]=4 591 B8R1.7 NC(=O)[C@@H]1CCCN1 NO22629 [0,0,1,1,0,0|2,0,0]=4 592 B8R1.7 NC(=O)[C@H]1CCCN1 DY438122 [0,0,1,1,0,0|2,0,0]=4 593 B8R1.7 O=C(O)C1CCCN1 NO18287 [0,0,1,1,0,0|2,0,0]=4 594 B8R1.7 O=C(O)C1CCCO1 DY20393 [0,0,1,1,0,0|2,0,0]=4 595 B8R1.7 O=C(O)C1CCNC1 NO18444 [0,0,1,1,0,0|2,0,0]=4 596 B8R1.7 O=C(O)C1CCNC1 NO19637 [0,0,1,1,0,0|2,0,0]=4 597 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,0,1,1,0,0|2,0,0]=4 598 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [0,0,1,1,0,0|2,0,0]=4 599 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,0,1,1,0,0|2,0,0]=4 600 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [0,0,1,1,0,0|2,0,0]=4 601 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [0,0,1,1,0,0|2,0,0]=4 602 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [0,0,1,1,0,0|2,0,0]=4 603 B8R1.22 O=C1CCCCCC1 DY461238 [0,0,1,1,0,0|0,0,0]=2 604 B8R1.22 O=C1CCCNCC1 NO19096 [0,0,1,1,0,0|1,0,0]=3 605 B8R1.22 O=C1CCNCCN1 NO18857 [0,0,1,1,0,0|2,0,0]=4 606 B8R1.22 O=C1OCCCCO1 DY770703 [0,0,1,1,0,0|2,0,0]=4 607 B8R1.35 O=C(O)CCC1CC1 NO19562 [0,0,1,1,0,0|1,0,0]=3 608 B8R1.37 CCCC(=O)N1CC1 DY743815 [0,0,1,1,0,0|1,0,0]=3 609 B8R1.37 CCOC(=N)C1CC1 DY757813 [0,0,1,1,0,0|2,0,0]=4 610 B8R1.37 CN(CC=O)C1CC1 DY758683 [0,0,1,1,0,0|1,0,0]=3 611 B8R1.37 N#CCC(=O)C1CC1 DY20950 [0,0,1,1,0,0|1,0,1]=4 612 B8R2.34 C1=CC2CC1CN2 DY566295 [1,0,0,1,0,0|1,0,1]=4 613 B8R2.34 C1=CC2CCC1C2 NO11805 [1,0,0,1,0,0|0,0,1]=3 614 B8R2.34 C1CC2CCC1C2 DY753433 [1,0,0,1,0,0|0,0,1]=3 615 B8R2.34 C1CC2CCC1N2 NO10780 [1,0,0,1,0,0|1,0,1]=4 616 B8R2.34 C1C[C@H]2CC1CN2 DY620286 [1,0,0,1,0,0|1,0,0]=3 617 B8R2.34 C1NC2CNC1C2 DY566511 [1,0,0,1,0,0|2,0,0]=4 618 B8R2.34 C1NC2CNC1C2 DY685187 [1,0,0,1,0,0|2,0,0]=4 619 B8R2.34 C1O[C@@H]2CN[C@H]1C2 NO12565 [1,0,0,1,0,0|2,0,0]=4 620 B8R2.34 C1O[C@H]2CN[C@@H]1C2 DY103903 [1,0,0,1,0,0|2,0,0]=4 621 B10R2.71 O=C1CC2CCC(C1)N2 NO18910 [0,0,0,1,0,1|1,0,0]=3 622 B10R2.178 O=C1NCC2CCC1N2 DY105362 [0,0,0,1,0,1|1,0,0]=3 623 B10R2.31 CN1CCC2CNC2C1 DY584170 [0,1,0,1,0,0|2,0,0]=4 624 B10R2.62 O=C1CN2CCC1CC2 NO19608 [0,1,0,1,0,0|1,0,0]=3 625 B10R2.99 O=CC1CC2CCC1C2 NO11804 [0,1,0,1,0,0|0,0,1]=3 626 B10R2.534 O=C1CCCC2(CC2)N1 NO17693 [0,1,0,1,0,0|1,0,0]=3 627 B10R2.318 CN1CC2CC(O)(C2)C1 DY585588 [0,1,0,1,0,0|2,0,0]=4 628 B6R0.3 CC(=O)C(C)C=O DY459582 [0,0,1,0,1,0|1,0,1]=4 629 B6R0.3 CC(C)C(=O)CCl DY740659 [0,0,1,0,1,0|1,0,0]=3 630 B6R0.3 CCC(N)C(=O)O NO14084 [0,0,1,0,1,0|2,0,0]=4 631 B6R0.3 CCC(O)C(=O)O DY562593 [0,0,1,0,1,0|2,0,0]=4 632 B6R0.3 CCC(O)C(=O)[O-] DY557445 [0,0,1,0,1,0|2,0,0]=4 633 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [0,0,1,0,1,0|2,0,0]=4 634 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [0,0,1,0,1,0|2,0,0]=4 635 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [0,0,1,0,1,0|2,0,0]=4 636 B6R0.3 CC[C@H](N)C(=O)O NO13661 [0,0,1,0,1,0|2,0,0]=4 637 B6R0.3 CC[C@H](N)C(N)=O DY436006 [0,0,1,0,1,0|2,0,0]=4 638 B6R0.3 CC[C@H](N)C(N)=O NO15891 [0,0,1,0,1,0|2,0,0]=4 639 B6R0.3 CN(C)C(=O)CBr NO14025 [0,0,1,0,1,0|2,0,0]=4 640 B6R0.3 CN(C)C(=O)CCl DY545469 [0,0,1,0,1,0|2,0,0]=4 641 B6R0.3 CN(C)C(=O)CN NO21306 [0,0,1,0,1,0|2,0,0]=4 642 B6R0.3 CNC(=O)[C@@H](C)N DY608176 [0,0,1,0,1,0|2,0,0]=4 643 B6R0.3 CNC(=O)[C@H](C)N DY436151 [0,0,1,0,1,0|2,0,0]=4 644 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [0,0,1,0,1,0|2,0,0]=4 645 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [0,0,1,0,1,0|2,0,0]=4 646 B6R0.3 COC(=O)C(C)Br NO14958 [0,0,1,0,1,0|2,0,0]=4 647 B6R0.3 COC(=O)C(C)C DY41931 [0,0,1,0,1,0|1,0,0]=3 648 B6R0.3 COC(=O)C(C)N NO22242 [0,0,1,0,1,0|2,0,0]=4 649 B6R0.3 COC(=O)[C@@H](C)N NO16663 [0,0,1,0,1,0|2,0,0]=4 650 B6R0.3 COC(=O)[C@H](C)Cl NO15798 [0,0,1,0,1,0|2,0,0]=4 651 B6R0.3 COC(=O)[C@H](C)N DY500966 [0,0,1,0,1,0|2,0,0]=4 652 B6R0.3 COC(C)C(=O)O NO14024 [0,0,1,0,1,0|2,0,0]=4 653 B6R0.3 CON(C)C(C)=O NO11789 [0,0,1,0,1,0|2,0,0]=4 654 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [0,0,1,0,1,0|2,0,0]=4 655 B6R1.2 BrC1CCNC1 NO15742 [1,0,0,0,1,0|2,0,0]=4 656 B6R1.2 C=C1CCSC1 DY523665 [1,0,0,0,1,0|2,0,0]=4 657 B6R1.2 CC1=NCCC1 NO21664 [1,0,0,0,1,0|1,0,1]=4 658 B6R1.2 CC1CCCN1 NO21699 [1,0,0,0,1,0|1,0,0]=3 659 B6R1.2 CC1CCCN1 NO21700 [1,0,0,0,1,0|1,0,0]=3 660 B6R1.2 CC1CCCO1 DY20580 [1,0,0,0,1,0|1,0,0]=3 661 B6R1.2 CC1CCNC1 DY667237 [1,0,0,0,1,0|1,0,0]=3 662 B6R1.2 C[C@@H]1CCCN1 NO18299 [1,0,0,0,1,0|1,0,0]=3 663 B6R1.2 C[C@H]1CCCN1 NO18800 [1,0,0,0,1,0|1,0,0]=3 664 B6R1.2 C[C@H]1CCCN1 NO19735 [1,0,0,0,1,0|1,0,0]=3 665 B6R1.2 FC1CCNC1 NO12894 [1,0,0,0,1,0|2,0,0]=4 666 B6R1.2 F[C@H]1CCNC1 NO14870 [1,0,0,0,1,0|2,0,0]=4 667 B6R1.2 N=C1CCCS1 DY556065 [1,0,0,0,1,0|2,0,0]=4 668 B6R1.2 NC1=NCCC1 NO19310 [1,0,0,0,1,0|2,0,0]=4 669 B6R1.2 NC1CC=CC1 NO19415 [1,0,0,0,1,0|1,0,1]=4 670 B6R1.2 NC1CCNC1 DY572169 [1,0,0,0,1,0|2,0,0]=4 671 B6R1.2 NC1CCOC1 NO12010 [1,0,0,0,1,0|2,0,0]=4 672 B6R1.2 NN1CCCC1 DY564555 [1,0,0,0,1,0|2,0,0]=4 673 B6R1.2 N[C@@H]1CCOC1 DY623409 [1,0,0,0,1,0|2,0,0]=4 674 B6R1.2 N[C@@H]1CCOC1 NO13003 [1,0,0,0,1,0|2,0,0]=4 675 B6R1.2 N[C@H]1CCNC1 DY508670 [1,0,0,0,1,0|2,0,0]=4 676 B6R1.2 N[C@H]1CCOC1 DY626689 [1,0,0,0,1,0|2,0,0]=4 677 B6R1.2 N[C@H]1CCOC1 NO20366 [1,0,0,0,1,0|2,0,0]=4 678 B6R1.2 O=C1CCCC1 DY21085 [1,0,0,0,1,0|0,0,0]=2 679 B6R1.2 O=C1CCNC1 NO22412 [1,0,0,0,1,0|1,0,0]=3 680 B6R1.2 O=C1CCOC1 NO18178 [1,0,0,0,1,0|1,0,0]=3 681 B6R1.2 O=C1CCSC1 DY20305 [1,0,0,0,1,0|1,0,0]=3 682 B6R1.2 O=C1NCCN1 NO21607 [1,0,0,0,1,0|2,0,0]=4 683 B6R1.2 OC1CC=CC1 DY10342 [1,0,0,0,1,0|1,0,1]=4 684 B6R1.2 O[C@@H]1CCNC1 NO16635 [1,0,0,0,1,0|2,0,0]=4 685 B6R1.2 O[C@@H]1CCNC1 NO16650 [1,0,0,0,1,0|2,0,0]=4 686 B6R1.2 O[C@@H]1CCOC1 NO20284 [1,0,0,0,1,0|2,0,0]=4 687 B6R1.2 O[C@H]1CCNC1 NO21757 [1,0,0,0,1,0|2,0,0]=4 688 B6R1.2 SC1CCOC1 DY789441 [1,0,0,0,1,0|2,0,0]=4 689 B6R1.4 NN1CCC1=O DY585858 [0,0,0,0,2,0|2,0,0]=4 690 B6R1.5 CC1CC(N)C1 DY105778 [0,0,0,0,2,0|1,0,1]=4 691 B6R1.5 CC1CC(O)C1 DY539301 [0,0,0,0,2,0|0,0,2]=4 692 B6R1.5 CN1CC(=O)C1 DY533589 [0,0,0,0,2,0|1,0,0]=3 693 B6R1.5 NC1CC(=O)C1 DY444232 [0,0,0,0,2,0|1,0,0]=3 694 B6R1.5 NC1CC(=O)C1 DY756175 [0,0,0,0,2,0|1,0,0]=3