0 B9R0.35 CCCC(=O)C(=O)OCC NO14582 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.35 CCCC(=O)C(O)CCC DY556689 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.35 CCOC(=N)C(=O)OCC NO13440 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.35 CCOC(=O)C(=O)OCC DY41888 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.1 C#CCCC(=O)CCC DY822712 [1,0,0,0,0,0|0,0,2]=3 5 B8R0.1 CCC#CC(=O)OCC DY560139 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.1 CCOC(=O)CCCCl DY822383 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.1 CCOC(=O)CCCO DY111642 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.1 CCOCC(=O)OCC DY461136 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.1 CNCC(=O)NCCO DY741259 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.3 CCNC(=O)[C@@H](N)CC DY116564 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.3 CCOC(=O)C(=O)CC NO13439 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.3 CCOC(=O)C(Br)CBr DY551433 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.3 CCOC(=O)C(Br)OC DY556005 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.3 CCOC(=O)C(N)CO DY439193 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.3 CCOC(=O)[C@@H](N)CO DY553761 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.3 CCOC(=O)[C@@H](N)CO NO17107 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.3 CCOC(=O)[C@H](N)CO NO13449 [1,0,0,0,0,0|3,0,0]=4 18 B10R0.19 CCCCC(=O)C(=O)OCC NO11379 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.19 CCOC(=O)C(N)CCSC DY437954 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.32 CCOC(=O)C(=O)CC(C)C NO15204 [0,1,0,0,0,0|1,0,2]=4 21 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C NO14067 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.35 CCOC(=O)C(N)C(C)CC DY799005 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.2 CCN1CCC[C@@H](O)C1=O DY586207 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.4 CCCC1=CCCCC1=O DY106174 [0,0,0,1,0,0|1,0,1]=3 25 B10R1.11 CCOC(=O)C1CCNC1 NO13485 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.11 CCOC(=O)[C@@H]1CCNC1 DY533325 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.11 CCOC(=O)[C@@H]1CCNC1 DY628887 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.135 CCOC(=O)C1CC1CBr DY116546 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CC DY586270 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 DY528435 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 DY103673 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.212 CCOC(=O)C(=O)C1CC1 DY558093 [0,0,0,1,0,0|1,0,2]=4 33 B10R1.401 CCOC(=O)C1(Br)CCC1 DY550413 [0,0,0,1,0,0|2,0,0]=3 34 B10R1.401 CCOC(=O)C1(C)CCC1 DY565671 [0,0,0,1,0,0|2,0,0]=3 35 B10R0.2 CCOC(=O)CC(O)CCN DY788463 [0,0,0,0,0,1|2,0,0]=3 36 B10R0.2 CCOC(=O)C[C@@H](O)CC#N DY20928 [0,0,0,0,0,1|2,0,1]=4 37 B10R0.2 CCOC(=O)C[C@H](O)CC#N NO19605 [0,0,0,0,0,1|2,0,1]=4 38 B7R0.1 CCCOCCCN DY740653 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.3 CCCCC(O)CO DY567525 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.7 CCOC(=O)CCN NO14330 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.7 CCOC(=O)CNC NO17068 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.7 CCOC(=O)COC NO11389 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.7 O=C(CCCl)CCCl NO19912 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 CCCC(=O)N(C)C DY584357 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.5 CCCC(C)C(C)=O DY740965 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.5 CCNC(=O)C(C)Cl DY605068 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.5 CCOC(=O)C(C)C NO11388 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.5 CCOC(=O)C(C)N DY628935 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.5 NCCC(O)C(=O)O NO15496 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.10 CCC(Br)C(=O)OC NO14136 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [2,0,0,0,0,0|2,0,0]=4 57 B9R0.5 CCCCCC(=O)OCC DY822461 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.5 CCCCNC(=O)CCN DY741211 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.5 CCNCCC(=O)OCC DY703477 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.5 CCOC(=O)CCCCBr NO13726 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.5 CCOC(=O)CCCCN NO14354 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.18 CCCCC(N)CCCC DY428161 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.18 O=C(CCCCl)CCCCl NO14305 [1,1,0,0,0,0|1,0,0]=3 64 B9R0.34 CCOC(=O)CC(=O)CC NO11391 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.34 CCOC(=O)CC(O)CBr DY799257 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.34 CCOC(=O)C[C@H](O)CC DY822251 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.6 CCOC(=O)C(Br)C(C)Br DY796845 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.6 CCOC(=O)C(Br)C(C)C NO19615 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.6 CCOC(=O)C(F)C(C)C DY429819 [1,1,0,0,0,0|2,0,0]=4 70 B9R0.6 CCOC(=O)[C@@H](C)[C@H](C)O DY822255 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.6 CCOC(=O)[C@@H](O)C(C)C DY822254 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.6 CCOC(=O)[C@H](N)C(C)C DY628149 [1,1,0,0,0,0|2,0,0]=4 73 B9R0.23 CCC(=O)C(C)CN(C)C NO12103 [1,1,0,0,0,0|2,0,0]=4 74 B9R0.23 COC(=O)[C@@H](N)CC(C)C NO22260 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO DY556491 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.37 CCOC(=O)C(CO)CO DY583623 [1,1,0,0,0,0|2,0,0]=4 77 B11R0.5 CCCCC(N)CC(=O)OCC DY610558 [0,1,0,0,0,1|2,0,0]=4 78 B11R0.182 CCC[C@@H](CO)CC(=O)OCC DY622761 [0,1,0,0,0,1|1,0,0]=3 79 B11R0.11 CCCCC(=O)C(O)CCCC DY799431 [0,2,0,0,0,0|0,0,0]=2 80 B11R0.11 CCCOC(=O)C(=O)OCCC DY796911 [0,2,0,0,0,0|0,0,2]=4 81 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F DY459588 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.61 CCOC(=O)C(OCC)OCC NO10585 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.8 NCCC1CCCCO1 DY553407 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.8 OCC[C@H]1CCCCO1 DY527163 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.15 CCC1CNCCC1=O NO17950 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.15 CCC1NCCCC1=O DY636158 [1,0,0,1,0,0|1,0,0]=3 87 B9R1.15 COC1CCCCC1=O DY822546 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.15 COC1CCCNC1=O NO12712 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.15 CO[C@H]1CCCC[C@@H]1O DY620334 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.15 N#CC1CCCCC1=O DY33325 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.15 O=C1CCCCC1CO DY587110 [1,0,0,1,0,0|1,0,0]=3 92 B9R1.48 NC1CCCNC(=O)C1 DY743197 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.48 O=C1CCCCC(=O)C1 NO20375 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.49 CN1CCCC(=O)CC1 NO13899 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.49 CN1CCCC(O)CC1 DY685139 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.49 CN1CCCC(O)CC1 NO13879 [1,0,0,1,0,0|1,0,1]=4 97 B9R1.49 O=C1CCCC(O)CN1 DY743185 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.50 O=C1CCCCCCN1 NO21316 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.73 CCOC(=O)C1CNC1 NO11347 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.100 CCCNC(=O)C1CC1 DY757753 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.100 NCCNC(=O)C1CC1 DY512583 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.3 CN1CCC[C@@H](O)C1=O DY586206 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.5 NC1CCCCNC1=O NO15569 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.5 NC1CCCCNC1=O NO15816 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.5 N[C@H]1CCCCNC1=O DY545019 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.5 O=C1NCCCCC1Br DY550035 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.11 COC(=O)C1CCCN1 NO11440 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.11 COC(=O)[C@@H]1CCCN1 NO18447 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.11 COC(=O)[C@@H]1CCCO1 DY576465 [1,0,0,1,0,0|1,0,0]=3 110 B9R1.11 O=C(CBr)C1CCCO1 DY585542 [1,0,0,1,0,0|1,0,0]=3 111 B9R1.11 O=C(CCl)C1CCCC1 DY822737 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.74 CCOC(=O)C1(C)CC1 NO19612 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.74 CCOC(=O)C1(N)CC1 NO19059 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.82 COC(=O)[C@H]1C[C@H](C)O1 DY585926 [1,0,0,1,0,0|1,0,0]=3 115 B9R1.101 COC(=O)[C@H](N)C1CC1 DY520899 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.132 CCN1CC[C@@H](O)C1=O DY586205 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.186 COC(=O)C1(C)CCC1 DY570435 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.186 COC(=O)C1(N)CCC1 NO11175 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.186 COC(=O)C1(O)CNC1 DY582309 [1,0,0,1,0,0|2,0,0]=4 120 B11R1.30 CCOC(=O)CC1CCCO1 DY20752 [0,0,0,1,0,1|1,0,0]=3 121 B11R1.110 NCCC1CCCCC(=O)N1 DY743701 [0,0,0,1,0,1|2,0,0]=4 122 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O DY543039 [0,0,0,1,0,1|1,0,0]=3 123 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N DY620112 [0,0,0,1,0,1|2,0,0]=4 124 B11R1.199 CCOC(=O)[C@@H]1NCC[C@H]1O DY103072 [0,0,0,1,0,1|2,0,0]=4 125 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 DY627951 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 DY703087 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.16 CCCC(=O)C1CCNCC1 DY604291 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.16 CCOC(=O)C1CCC=CO1 DY573669 [0,1,0,1,0,0|1,0,1]=4 129 B11R1.16 CCOC(=O)C1CCCCN1 NO20536 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.16 CCOC(=O)C1CCNCC1 NO20538 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.16 CCOC(=O)C1CNCCN1 NO15901 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.16 CCOC(=O)C1CNCCO1 DY519615 [0,1,0,1,0,0|1,0,0]=3 133 B11R1.16 CCOC(=O)C1SCCCS1 DY538419 [0,1,0,1,0,0|1,1,0]=4 134 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 DY625831 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 NO11745 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 NO14862 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.16 CCOC(=O)[C@H]1CCCNC1 NO14866 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.16 CCOC(=O)[C@H]1CCCNC1 NO16095 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O DY604725 [0,1,0,1,0,0|1,0,1]=4 140 B11R1.819 CCOC(=O)C1(N)CCCC1 DY609205 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.833 CCOC(=O)C1(C)CC(N)C1 DY584140 [0,1,0,1,0,0|2,0,0]=4