0 B10R0.2 CCOC(=N)CC(=O)OCC NO19628 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.2 CCOC(=O)CC(=O)C=[N+]=[N-] DY584498 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.2 CCOC(=O)CC(O)CCN DY788463 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.2 CCOC(=O)C[C@@H](O)CC#N DY20928 [0,0,0,0,0,0|1,0,3]=4 4 B10R0.2 CCOC(=O)C[C@H](O)CC#N NO19605 [0,0,0,0,0,0|1,0,3]=4 5 B9R0.5 CCCCCC(=O)OCC DY822461 [1,0,0,0,0,0|0,0,1]=2 6 B9R0.5 CCNCCC(=O)OCC DY703477 [1,0,0,0,0,0|1,0,1]=3 7 B9R0.5 CCOC(=O)CCCCBr NO13726 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.5 CCOC(=O)CCCCN NO14354 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.5 CCO\C=C\C(=O)OCC DY20656 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.34 CCOC(=O)CC(=O)CBr NO13599 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.34 CCOC(=O)CC(=O)CC NO11391 [1,0,0,0,0,0|0,0,0]=1 12 B9R0.34 CCOC(=O)CC(O)CBr DY799257 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.34 CCOC(=O)C[C@H](O)CC DY822251 [1,0,0,0,0,0|0,0,2]=3 14 B9R0.34 COCC(=O)CC(=O)OC DY20562 [1,0,0,0,0,0|1,0,0]=2 15 B11R0.5 CCCCC(N)CC(=O)OCC DY610558 [0,1,0,0,0,0|1,0,1]=3 16 B11R0.177 CCOC(=O)C(Br)C(=O)OCC NO19985 [0,1,0,0,0,0|1,0,0]=2 17 B11R0.177 CCOC(=O)C(F)C(=O)OCC NO20048 [0,1,0,0,0,0|1,0,0]=2 18 B11R0.177 CCOC(=O)C(N)C(=O)OCC NO22139 [0,1,0,0,0,0|1,0,0]=2 19 B11R0.182 CCC[C@@H](CO)CC(=O)OCC DY622761 [0,1,0,0,0,0|0,0,2]=3 20 B11R1.30 CCCC(=O)CC1=CC=CO1 DY604803 [0,0,0,1,0,0|1,0,2]=4 21 B11R1.30 CCOC(=O)CC1CCCO1 DY20752 [0,0,0,1,0,0|0,0,2]=3 22 B11R1.199 CCOC(=O)C1CCCC1=O NO20511 [0,0,0,1,0,0|0,0,0]=1 23 B11R1.199 CCOC(=O)C1CNCC1=O NO16905 [0,0,0,1,0,0|1,0,0]=2 24 B11R1.199 CCOC(=O)C1CSCC1=O DY571941 [0,0,0,1,0,0|1,0,0]=2 25 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O DY543039 [0,0,0,1,0,0|0,0,2]=3 26 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N DY620112 [0,0,0,1,0,0|1,0,1]=3 27 B11R1.199 CCOC(=O)[C@@H]1CNC[C@H]1C DY700999 [0,0,0,1,0,0|2,0,1]=4 28 B11R1.199 CCOC(=O)[C@@H]1NCC[C@H]1O DY103072 [0,0,0,1,0,0|1,0,2]=4 29 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](O)C1 DY104870 [0,0,0,1,0,0|2,0,1]=4 30 B11R1.334 CCOC(=O)CC(=O)C1CC1 NO10562 [0,0,0,1,0,0|0,0,0]=1 31 B11R1.840 CCOC(=O)CC1(N)COC1 DY585974 [0,0,0,1,0,0|2,0,1]=4 32 B9R0.35 CCCC(=O)C(=O)OCC NO14582 [0,0,0,0,1,0|0,0,0]=1 33 B9R0.35 CCCC(=O)C(O)CCC DY556689 [0,0,0,0,1,0|1,0,2]=4 34 B9R0.35 CCOC(=N)C(=O)OCC NO13440 [0,0,0,0,1,0|2,0,0]=3 35 B9R0.35 CCOC(=O)C(=O)OCC DY41888 [0,0,0,0,1,0|1,0,0]=2 36 B11R0.62 CCOC(=O)C#CC(=O)OCC NO15872 [0,0,0,0,0,1|1,0,1]=3 37 B8R0.1 CCC#CC(=O)OCC DY560139 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.1 CCOC(=O)CCCCl DY822383 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.1 CCOC(=O)CCCO DY111642 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.1 CCOCC(=O)OCC DY461136 [2,0,0,0,0,0|1,0,0]=3 41 B8R0.5 CCOC(=O)C=C(C)C NO11345 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.5 CCOC(=O)CC(C)O NO11353 [2,0,0,0,0,0|0,0,2]=4 43 B8R0.5 CCOC(=O)CC(N)=O NO18301 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [2,0,0,0,0,0|0,0,2]=4 45 B8R0.5 CCOC(=O)C[N+](=O)[O-] NO22612 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.5 CCOC(=O)\C=C(/C)N NO15795 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.19 CCC(=O)CC(=O)CC NO22007 [2,0,0,0,0,0|0,0,0]=2 48 B8R0.19 CCC(=O)CC(=O)OC NO18389 [2,0,0,0,0,0|0,0,0]=2 49 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.19 COC(=O)CC(=O)CCl DY20592 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.19 COC(=O)OC(=O)OC DY528549 [2,0,0,0,0,0|2,0,0]=4 52 B10R0.1 CCOC(=O)CCCCCBr DY544671 [1,1,0,0,0,0|0,0,1]=3 53 B10R0.1 CCOC(=O)CNCCC#N DY702199 [1,1,0,0,0,0|1,0,1]=4 54 B10R0.3 CCOC(=O)CCNC(C)C DY461304 [1,1,0,0,0,0|1,0,1]=4 55 B10R0.19 CCCCC(=O)C(=O)OCC NO11379 [1,1,0,0,0,0|0,0,2]=4 56 B10R0.19 CCOC(=O)C(N)CCSC DY437954 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.19 CCO\C=C(/C)C(=O)OCC DY586022 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.91 CCCCCC(=O)OCCC DY564117 [1,1,0,0,0,0|0,0,1]=3 59 B10R0.26 CCOC(=O)C[C@@H](O)C(C)C DY822256 [1,1,0,0,0,0|0,0,2]=4 60 B10R0.35 CCOC(=O)C(N)C(C)CC DY799005 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.32 CCOC(=O)C(=O)CC(C)C NO15204 [0,1,0,0,1,0|0,0,0]=2 62 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C NO14067 [0,1,0,0,1,0|1,0,1]=4 63 B12R0.69 CCOC(=O)CC(=O)C(=O)OCC DY505305 [0,1,0,0,0,1|1,0,0]=3 64 B12R0.69 CCOC(=O)C[C@H](N)C(=O)OCC NO18773 [0,1,0,0,0,1|1,0,0]=3 65 B12R0.69 CCOC(=O)[CH-]C(=O)C(=O)OCC DY586630 [0,1,0,0,0,1|1,0,1]=4 66 B12R0.69 CCOC(=O)\C=C(/[O-])C(=O)OCC NO19739 [0,1,0,0,0,1|1,0,1]=4 67 B12R0.3 CC(C)OC(=O)CC(=O)OC(C)C NO11248 [0,2,0,0,0,0|1,0,0]=3 68 B12R0.8 CCOC(=O)C(=CCl)C(=O)OCC NO18932 [0,2,0,0,0,0|1,0,1]=4 69 B12R0.8 CCOC(=O)C(CC)C(=O)OCC DY517935 [0,2,0,0,0,0|1,0,0]=3 70 B12R0.731 CCOC(=O)C(C)(O)C(=O)OCC DY787851 [0,2,0,0,0,0|1,0,0]=3 71 B12R0.731 CCOC(=O)C(F)(F)C(=O)OCC DY461058 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.11 CCOC(=O)C1CCNC1 NO13485 [1,0,0,1,0,0|1,0,1]=4 73 B10R1.11 CCOC(=O)[C@@H]1CCNC1 DY533325 [1,0,0,1,0,0|1,0,1]=4 74 B10R1.11 CCOC(=O)[C@@H]1CCNC1 DY628887 [1,0,0,1,0,0|1,0,1]=4 75 B10R1.135 CCOC(=O)C1CC1CBr DY116546 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CC DY586270 [1,0,0,1,0,0|0,0,1]=3 77 B10R1.137 CCOC(=O)CC1CSC1 DY529545 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.138 CCOC(=O)CNC1CC1 DY703555 [1,0,0,1,0,0|1,0,0]=3 79 B10R1.138 CCOC(=O)\C=C\C1CC1 DY608344 [1,0,0,1,0,0|0,0,1]=3 80 B10R1.8 CCN1CC(=O)O[C@@H](C)C1 DY625357 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.27 COC(=O)CC1CCCC1 DY455676 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.27 COC(=O)C[C@@H]1CCCN1 NO16363 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.99 CCCN1CC1C(=O)OC DY743857 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.134 COC(=O)CC(=O)C1CC1 NO18976 [1,0,0,1,0,0|0,0,0]=2 85 B10R1.149 COC(=O)C1=C(N)CCC1 DY790035 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.149 COC(=O)C1CCNC1=O NO16415 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.149 COC(=O)C1OCCC1=O DY759578 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.149 COC(=O)C1SCCC1=O NO11632 [1,0,0,1,0,0|1,0,0]=3 89 B10R1.149 COC(=O)[C@@H]1CCCN1C DY628401 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N DY585601 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N DY620118 [1,0,0,1,0,0|1,0,1]=4 92 B10R1.149 COC(=O)[C@H]1CCC[C@@H]1N DY620346 [1,0,0,1,0,0|1,0,1]=4 93 B10R1.149 O=C(CCl)N1CCCC1=O DY665324 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.402 CCOC(=O)C1[C@@H](C)[C@H]1C DY586273 [1,0,0,1,0,0|1,0,1]=4 95 B10R1.4 CCCC1=CCCCC1=O DY106174 [0,0,0,1,1,0|2,0,0]=4 96 B10R1.212 CCOC(=O)C(=O)C1CC1 DY558093 [0,0,0,1,1,0|0,0,0]=2 97 B10R1.401 CCOC(=O)C1(Br)CCC1 DY550413 [0,0,0,1,1,0|1,0,1]=4 98 B10R1.401 CCOC(=O)C1(C)CCC1 DY565671 [0,0,0,1,1,0|1,0,1]=4 99 B12R1.17 CCOC(=O)C1CC(=O)CCO1 NO16006 [0,0,0,1,0,1|1,0,0]=3 100 B12R1.17 CCOC(=O)C1CCCC(=O)C1 NO11355 [0,0,0,1,0,1|0,0,0]=2 101 B12R1.17 CCOC(=O)C1CCCC(N)C1 NO16766 [0,0,0,1,0,1|1,0,1]=4 102 B12R1.17 CCOC(=O)[C@H]1CCC[C@@H](N)C1 DY585330 [0,0,0,1,0,1|1,0,1]=4 103 B12R1.17 CNCC(=O)N1CCNC(=O)C1 DY734497 [0,0,0,1,0,1|2,0,0]=4 104 B12R1.17 NCCC(=O)N1CCNC(=O)C1 DY734503 [0,0,0,1,0,1|2,0,0]=4 105 B12R1.51 CCCC(=O)OCC1CCCO1 DY759452 [0,0,0,1,0,1|1,0,1]=4 106 B12R1.318 CCCC(=O)NC1CCOC1=O DY583467 [0,0,0,1,0,1|0,0,0]=2 107 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O DY566727 [0,0,0,1,0,1|0,0,0]=2 108 B12R1.318 CCOC(=O)CC1CCCC1=O NO21730 [0,0,0,1,0,1|0,0,0]=2 109 B12R1.521 CCOC(=O)CC(=O)CC1CC1 DY564423 [0,1,0,1,0,0|0,0,0]=2 110 B12R1.32 CCOC(=O)CC1CCNCC1 NO18641 [0,1,0,1,0,0|1,0,1]=4 111 B12R1.32 CCOC(=O)CC1COCCN1 DY570687 [0,1,0,1,0,0|1,0,1]=4 112 B12R1.32 CCOC(=O)CN1CCOCC1 DY548577 [0,1,0,1,0,0|2,0,0]=4 113 B12R1.32 CCOC(=O)\C=C1\CCCNC1 NO18452 [0,1,0,1,0,0|1,0,1]=4 114 B12R1.308 CCOC(=O)C1=C(O)CCOC1 NO17912 [0,1,0,1,0,0|0,0,2]=4 115 B12R1.308 CCOC(=O)C1CCCCC1=O NO13797 [0,1,0,1,0,0|0,0,0]=2 116 B12R1.308 CCOC(=O)C1CCCCN1C NO18952 [0,1,0,1,0,0|2,0,0]=4 117 B12R1.308 CCOC(=O)C1CCCNC1C DY640249 [0,1,0,1,0,0|1,0,1]=4 118 B12R1.308 CCOC(=O)C1CCNCC1C DY586628 [0,1,0,1,0,0|1,0,1]=4 119 B12R1.308 CCOC(=O)C1COCCC1=O NO15378 [0,1,0,1,0,0|0,0,0]=2 120 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O DY756769 [0,1,0,1,0,0|0,0,2]=4 121 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O DY789729 [0,1,0,1,0,0|0,0,2]=4 122 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O NO11393 [0,1,0,1,0,0|0,0,2]=4 123 B12R1.308 CCOC(=O)[C@H]1CCCN[C@@H]1C DY425240 [0,1,0,1,0,0|1,0,1]=4 124 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C DY639972 [0,1,0,1,0,0|1,0,1]=4 125 B12R1.519 CCOC(=O)CN(C)C1CNC1 DY585827 [0,1,0,1,0,0|2,0,0]=4 126 B12R1.55 CCOC(=O)[C@@H](N)C1CCCC1 DY585772 [0,1,0,1,0,0|1,0,1]=4 127 B12R1.316 CCOC(=O)C1CCCN1CC DY628893 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.1479 CCOC(=O)[C@H]1[C@@H]2CCO[C@@H]21 DY585311 [0,0,0,2,0,0|0,0,2]=4 129 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 DY620966 [0,0,0,2,0,0|2,0,0]=4 130 B8R0.3 C=C(CBr)C(=O)OCC NO11325 [1,0,0,0,1,0|2,0,0]=4 131 B8R0.3 C=C(CO)C(=O)OCC NO20908 [1,0,0,0,1,0|2,0,0]=4 132 B8R0.3 CCOC(=O)C(=O)CBr NO18430 [1,0,0,0,1,0|1,0,0]=3 133 B8R0.3 CCOC(=O)C(=O)CC NO13439 [1,0,0,0,1,0|0,0,0]=2 134 B8R0.3 CCOC(=O)C(=O)NN NO13814 [1,0,0,0,1,0|2,0,0]=4 135 B12R0.285 CCOC(=O)CSCC(=O)OCC DY580341 [0,0,0,0,0,2|1,0,0]=3