0 B8R0.6 CCCCCC(=O)CBr C73149 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.6 COC(=O)COCCO D84694 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.6 COC\C=C\C(=O)OC P17071 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.3 C#CCCC(=O)OC AT21755 [1,0,0,0,0,0|0,0,3]=4 4 B7R0.3 C=CC(=O)NCCC AB9941 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 C=CCCC(=O)OC AT23749 [1,0,0,0,0,0|0,0,3]=4 6 B7R0.3 CCC(=O)OCCO A11774 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.3 CNCCC(=O)OC AB11809 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.3 COC(=O)C#CCO AB7534 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.3 COC(=O)CCCI F19766 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.3 COC(=O)\C=C\CCl AT12623 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.3 COC(=O)\C=C\CN AT20770 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.4 CC(=O)CCCCBr O11558 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CC(=O)OCCCBr C75766 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 CCCOCC(=O)O AC1647 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 COCCCC(=O)O 78063 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.4 NCCNCC(=O)O FD21628 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.5 CCOC(=O)CCCCN 23836 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.34 CCC[C@H](N)CC(=O)OC N15478 [0,1,0,0,0,0|0,0,2]=3 23 B9R0.34 CCC[C@H](N)CC(=O)OC N16940 [0,1,0,0,0,0|0,0,2]=3 24 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [0,1,0,0,0,0|0,0,2]=3 25 B9R0.46 CCNCCCC(=O)OC 72977 [0,1,0,0,0,0|0,0,2]=3 26 B9R0.46 COC(=O)CSCCCCl W12305 [0,1,0,0,0,0|1,0,1]=3 27 B9R0.47 C=C(C)C(=O)NCCCC AB10367 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.47 CCCCCC(=O)N(C)C C16028 [0,1,0,0,0,0|1,0,2]=4 29 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.5 CN1CCCNCC1=O 37932 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.5 CN1CCCNCC1=O Y10016 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,0,0,1,0,0|0,0,2]=3 34 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.11 CNC(=O)[C@@H]1CCCN1 C13792 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.11 COC(=O)C1=CCSC1 T71209 [0,0,0,1,0,0|1,0,0]=2 39 B9R1.11 COC(=O)C1=COC=N1 22956 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.11 COC(=O)C1=CSN=N1 W15897 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [0,0,0,1,0,0|1,0,1]=3 42 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [0,0,0,1,0,0|1,0,2]=4 46 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,0,0,1,0,0|1,0,2]=4 48 B9R1.79 COC(=O)CC1CCC1 20777 [0,0,0,1,0,0|0,0,2]=3 49 B9R1.79 COC(=O)CC1CNC1 C71903 [0,0,0,1,0,0|1,0,2]=4 50 B9R1.79 COC(=O)CC1COC1 82645 [0,0,0,1,0,0|1,0,2]=4 51 B9R1.80 COC(=O)C#CC1CC1 W15222 [0,0,0,1,0,0|0,0,2]=3 52 B9R1.80 COC(=O)\C=C\C1CC1 89072 [0,0,0,1,0,0|0,0,0]=1 53 B9R1.81 COC(=O)C1CNC1C P14367 [0,0,0,1,0,0|1,0,2]=4 54 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 37832 [0,0,0,1,0,0|1,0,2]=4 55 B9R1.88 COC(=O)C1CC1CN P14227 [0,0,0,1,0,0|1,0,2]=4 56 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20071 [0,0,0,1,0,0|1,0,2]=4 57 B6R0.6 CC\C=C/CCI 98107 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.1 C=C=CC(=O)OC F20885 [2,0,0,0,0,0|0,0,2]=4 59 B6R0.1 CNC(=O)CCN C75423 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.1 CNC(=O)CCO AC6610 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.1 CNC(=O)CCS A11187 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.1 COC(=O)OCCl R10013 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.1 COC(=O)\C=C\I C10406 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.4 CC(=O)OCCN W11955 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.4 COC=CC(=O)O D97266 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.4 O=C(O)\C=C\CCl 11303 [2,0,0,0,0,0|1,0,0]=3 69 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,1,0,0,0,0|0,0,0]=2 70 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.3 COC[C@H](N)C(=O)OC C73433 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [1,1,0,0,0,0|0,0,1]=3 74 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [1,1,0,0,0,0|0,0,1]=3 75 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,1,0,0,0,0|0,0,1]=3 78 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,1,0,0,0,0|0,0,2]=4 79 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|0,0,2]=4 80 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [1,1,0,0,0,0|0,0,0]=2 81 B8R0.28 CC(=O)NCCC(C)C S10520 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.28 CC(C)CNCC(=O)O W10796 [1,1,0,0,0,0|1,0,1]=4 83 B10R0.3 CCOC(=O)\C=C\CN(C)C D80188 [0,2,0,0,0,0|1,0,0]=3 84 B10R0.44 COC(=O)CC(=O)CC(C)=O C74527 [0,2,0,0,0,0|0,0,2]=4 85 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,2,0,0,0,0|0,0,2]=4 86 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [0,2,0,0,0,0|0,0,0]=2 87 B10R0.2 CCOC(=O)\C=C(/C)OCC AC2253 [0,2,0,0,0,0|1,0,0]=3 88 B10R0.91 CCCCNC(=O)OCCO D93331 [0,2,0,0,0,0|1,0,1]=4 89 B10R0.108 CCOC(=O)CNC(=O)OC 74367 [0,2,0,0,0,0|1,0,1]=4 90 B10R0.108 CCOC(=O)NCC(=O)OC AB7223 [0,2,0,0,0,0|1,0,1]=4 91 B10R0.18 C#CCCC(=O)CC(=O)OC N11412 [0,2,0,0,0,0|0,0,2]=4 92 B10R0.18 COCCC(=O)CC(=O)OC T72723 [0,2,0,0,0,0|0,0,1]=3 93 B10R0.29 CCC[C@H](CC)CC(=O)OC D94272 [0,2,0,0,0,0|0,0,2]=4 94 B10R0.55 COC(=O)CCCCC(C)=O F16317 [0,2,0,0,0,0|0,0,2]=4 95 B8R1.2 COC1=NCCCC1 D87703 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.8 CCCC1=NNC=C1 C16284 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.8 CNCC1=COC=C1 AC5678 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.8 OCCC1=COC=C1 D93026 [1,0,0,1,0,0|1,0,1]=4 99 B8R1.1 COC1=CC(=O)CC1 63697 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.38 COC(=O)C1COC1 81275 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.40 COC(=O)CC1CC1 28012 [1,0,0,1,0,0|0,0,1]=3 110 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.6 CCCC1CC(=O)C1 D96728 [1,0,0,1,0,0|0,0,2]=4 113 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.34 CC(=O)CC1CCC1 D79207 [1,0,0,1,0,0|0,0,2]=4 116 B8R1.34 O=C(O)CN1CCC1 55159 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.35 O=C(O)CNC1CC1 F14996 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.35 O=C(O)CNC1CC1 W15242 [1,0,0,1,0,0|1,0,1]=4 119 B10R1.14 COC(=O)C1=CC(=O)CC1 24403 [0,1,0,1,0,0|0,0,1]=3 120 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.14 COC(=O)C1=CN(C)N=C1 F17310 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.14 COC(=O)C1=CNC(C)=N1 C77526 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,1,0,1,0,0|1,0,1]=4 124 B10R1.14 COC(=O)C1=NN(C)N=C1 31007 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.14 COC(=O)C1CCC(O)C1 P17887 [0,1,0,1,0,0|0,0,2]=4 126 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,1,0,1,0,0|0,0,2]=4 127 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,1,0,1,0,0|0,0,2]=4 128 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P13902 [0,1,0,1,0,0|0,0,2]=4 129 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 71650 [0,1,0,1,0,0|1,0,1]=4 130 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 AT21627 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 72963 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 83570 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 C11590 [0,1,0,1,0,0|0,0,2]=4 134 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 P16224 [0,1,0,1,0,0|0,0,2]=4 135 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 P16721 [0,1,0,1,0,0|0,0,2]=4 136 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,1,0,1,0,0|0,0,2]=4 137 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,1,0,1,0,0|0,0,2]=4 138 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P16736 [0,1,0,1,0,0|0,0,2]=4 139 B10R1.150 COC(=O)CC1CC(N)C1 P19705 [0,1,0,1,0,0|0,0,2]=4 140 B10R1.150 COC(=O)CC1CC(O)C1 P17672 [0,1,0,1,0,0|0,0,2]=4 141 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,1,0,1,0,0|0,0,0]=2 142 B10R1.25 CC[C@H]1CNC(=O)CC1=O 27452 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.96 CCCC1=NOC(C=O)=N1 F52106 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [0,1,0,1,0,0|0,0,0]=2 145 B10R1.15 COC(=O)C1=CCCNC1 AC6481 [0,1,0,1,0,0|0,0,0]=2 146 B10R1.15 COC(=O)C1=CCNCC1 31667 [0,1,0,1,0,0|0,0,0]=2 147 B10R1.15 COC(=O)C1=CNCCC1 P15502 [0,1,0,1,0,0|0,0,0]=2 148 B10R1.15 COC(=O)C1CCSCC1 74108 [0,1,0,1,0,0|0,0,2]=4 149 B10R1.15 COC(=O)N1CCOCC1 AC6632 [0,1,0,1,0,0|1,0,1]=4 150 B10R1.15 COC(=O)[C@@H]1COCCN1 25784 [0,1,0,1,0,0|1,0,1]=4 151 B10R1.15 COC(=O)[C@@H]1COCCN1 31155 [0,1,0,1,0,0|1,0,1]=4 152 B10R1.15 COC(=O)[C@@H]1COCCN1 P10713 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.15 COC(=O)[C@H]1CCCNC1 P10578 [0,1,0,1,0,0|0,0,2]=4 154 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67401 [0,1,0,1,0,0|0,0,2]=4 155 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67408 [0,1,0,1,0,0|0,0,2]=4 156 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53592 [0,1,0,1,0,0|0,0,2]=4 157 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53678 [0,1,0,1,0,0|0,0,2]=4 158 B10R1.184 COC(=O)[C@@H](O)CC1CC1 69648 [0,1,0,1,0,0|0,0,2]=4 159 B10R1.411 COC(=O)C1(Br)CCCC1 W12602 [0,1,0,1,0,0|0,0,2]=4 160 B10R1.411 COC(=O)C1(O)CCCC1 P15503 [0,1,0,1,0,0|0,0,2]=4 161 B10R1.411 COC(=O)[C@]1(C)CCCO1 38867 [0,1,0,1,0,0|1,0,1]=4 162 B10R1.27 COC(=O)C[C@H]1CCCN1 27751 [0,1,0,1,0,0|0,0,2]=4 163 B10R1.27 COC(=O)C[C@H]1CCCN1 C74748 [0,1,0,1,0,0|0,0,2]=4 164 B10R1.27 COC(=O)C[C@H]1CCNC1 11209 [0,1,0,1,0,0|0,0,2]=4 165 B10R1.27 COC(=O)C[C@H]1CCNC1 11210 [0,1,0,1,0,0|0,0,2]=4 166 B10R1.149 COC(=O)C1=C(C)C=CN1 38966 [0,1,0,1,0,0|0,0,2]=4 167 B10R1.149 COC(=O)C1=C(C)OCC1 W15954 [0,1,0,1,0,0|1,0,0]=3 168 B10R1.149 COC(=O)C1=CN=NN1C 30682 [0,1,0,1,0,0|2,0,0]=4 169 B10R1.149 COC(=O)C1=CNN=C1C 25283 [0,1,0,1,0,0|1,0,1]=4 170 B10R1.149 COC(=O)C1CNCC1C F21201 [0,1,0,1,0,0|0,0,2]=4 171 B10R1.149 COC(=O)[C@@H]1CCCN1C D94450 [0,1,0,1,0,0|0,0,2]=4 172 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 30654 [0,1,0,1,0,0|0,0,2]=4 173 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N N12552 [0,1,0,1,0,0|0,0,2]=4 174 B10R1.149 COC(=O)[C@@H]1CCNC1=O 36442 [0,1,0,1,0,0|1,0,1]=4 175 B10R1.149 COC(=O)[C@@H]1CCOC1=O F31228 [0,1,0,1,0,0|1,0,1]=4 176 B10R1.149 COC(=O)[C@@H]1SCCC1=O 84770 [0,1,0,1,0,0|1,0,1]=4 177 B10R1.149 COC(=O)[C@H]1CCC[C@@H]1N D96592 [0,1,0,1,0,0|0,0,2]=4 178 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C 95112 [0,1,0,1,0,0|0,0,2]=4 179 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P17333 [0,1,0,1,0,0|0,0,2]=4 180 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P20900 [0,1,0,1,0,0|0,0,2]=4 181 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C S12236 [0,1,0,1,0,0|0,0,2]=4 182 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O 89325 [0,1,0,1,0,0|1,0,1]=4 183 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O P15500 [0,1,0,1,0,0|1,0,1]=4 184 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P14684 [0,1,0,1,0,0|1,0,1]=4 185 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O VT1192 [0,1,0,1,0,0|1,0,1]=4 186 B10R1.16 O=C1C=C(OCCBr)CC1 W15827 [0,1,0,1,0,0|2,0,0]=4 187 B10R2.2 O=C1NC2CCCC2O1 N10687 [0,0,0,2,0,0|1,0,1]=4 188 B10R2.332 O=C1NC2(CCC2)CO1 F31393 [0,0,0,2,0,0|1,0,1]=4