0 B9R0.45 CC\C=C\CCCCC=O P17001 [1,0,0,0,0,0|2,0,1]=4 1 B9R0.46 C#CCCCCC(=O)OC AT21754 [1,0,0,0,0,0|0,0,2]=3 2 B9R0.46 COC(=O)CCOCCO C70644 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.46 COC(=O)CSCCCO AT19328 [1,0,0,0,0,0|2,0,0]=3 4 B11R0.5 CCOC(=O)C[C@@H](C)CCCBr C92238 [0,1,0,0,0,0|1,0,0]=2 5 B11R0.5 CCOC(=O)C[C@@H](C)CCCO AC3899 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.24 CNCCN1CCNC(=O)C1 AT12836 [0,0,0,1,0,0|3,0,0]=4 7 B11R1.180 CCCCCN1CCCC1=O 65138 [0,0,0,1,0,0|2,0,0]=3 8 B10R0.2 CCOC(=O)CN(C)CCN AT15291 [1,1,0,0,0,0|2,0,0]=4 9 B12R0.125 CC(C)(C)OC(=O)CCOCCI AT18159 [0,2,0,0,0,0|2,0,0]=4 10 B12R0.125 CC(C)(C)OC(=O)COCCCI AT18173 [0,2,0,0,0,0|2,0,0]=4 11 B12R0.125 CC(C)(C)OC(=O)COCCCO AT18172 [0,2,0,0,0,0|2,0,0]=4 12 B12R0.125 CCCCNNC(=O)OC(C)(C)C AT16306 [0,2,0,0,0,0|2,0,0]=4 13 B12R0.1 CCOC(=O)COCCCCCO AT19860 [0,2,0,0,0,0|0,0,0]=2 14 B12R0.1 CCOC(=O)COCCOCCO AT11840 [0,2,0,0,0,0|1,0,0]=3 15 B12R0.1 CCOC(=O)COCCOCCO D84682 [0,2,0,0,0,0|1,0,0]=3 16 B12R0.203 CCCCCC[C@H](CCC)C(=O)O C15162 [0,2,0,0,0,0|1,0,1]=4 17 B12R0.72 CCOC(=O)CCNCC(F)(F)F AT25844 [0,2,0,0,0,0|2,0,0]=4 18 B10R1.10 CCC[C@H]1CCNC(=O)C1 AC9817 [1,0,0,1,0,0|1,0,0]=3 19 B10R1.11 CCOC(=O)[C@@H]1CCC=N1 AC7479 [1,0,0,1,0,0|1,0,1]=4 20 B10R1.11 CCOC(=O)[C@@H]1CCON1 33805 [1,0,0,1,0,0|2,0,0]=4 21 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C=O AT10666 [1,0,0,1,0,0|1,0,1]=4 22 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CBr AT12587 [1,0,0,1,0,0|1,0,0]=3 23 B10R1.135 CCOC(=O)[C@H]1C[C@H]1C=O AT15567 [1,0,0,1,0,0|1,0,1]=4 24 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CBr F50049 [1,0,0,1,0,0|1,0,0]=3 25 B10R1.1 CCON1CCC(=O)CC1 92110 [1,0,0,1,0,0|2,0,0]=4 26 B10R1.15 CCC(=O)N1CCCNC1 AC9409 [1,0,0,1,0,0|2,0,0]=4 27 B10R1.15 COC(=O)[C@@H]1CCCNN1 50468 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.15 COC(=O)[C@@H]1CCCNN1 AT21728 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.15 O=C(CBr)[C@H]1CCCOC1 AT13307 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1O C14390 [1,0,0,1,0,0|1,0,0]=3 31 B10R1.149 COC(=O)[C@@H]1CNC[C@@H]1O E70030 [1,0,0,1,0,0|2,0,0]=4 32 B10R1.149 COC(=O)[C@@H]1COC[C@@H]1N P14940 [1,0,0,1,0,0|2,0,0]=4 33 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1F AT23942 [1,0,0,1,0,0|2,0,0]=4 34 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1F AT23944 [1,0,0,1,0,0|2,0,0]=4 35 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1F AT23947 [1,0,0,1,0,0|2,0,0]=4 36 B10R1.149 COC(=O)[C@H]1NCC[C@H]1F AT23945 [1,0,0,1,0,0|2,0,0]=4 37 B10R1.149 COC(=O)[C@H]1NCC[C@H]1F AT23946 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P11674 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.151 COC(=O)CCC1CNC1 AT26042 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.151 COC(=O)COC1CNC1 AT23439 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.157 COC(=O)C[C@@H]1C[C@@H]1CO F51543 [1,0,0,1,0,0|1,0,0]=3 42 B10R1.175 COC(=O)C1CCC1CO W15653 [1,0,0,1,0,0|1,0,0]=3 43 B12R1.308 CCOC(=O)[C@@H]1CCOC[C@@H]1N 56732 [0,1,0,1,0,0|1,0,0]=3 44 B12R1.308 CCOC(=O)[C@@H]1COCC[C@@H]1N F50155 [0,1,0,1,0,0|1,0,0]=3 45 B12R1.316 CCOC(=O)[C@H]1CNC[C@@H]1OC P17332 [0,1,0,1,0,0|1,0,0]=3 46 B12R1.1564 CCOC(=O)[C@H]1CCCNCC1 AT25596 [0,1,0,1,0,0|0,0,0]=2 47 B12R1.31 CCOC(=O)C[C@H]1CCC(=O)N1 AT10903 [0,1,0,1,0,0|1,0,1]=4 48 B12R1.519 CCOC(=O)C[C@H](N)C1CCC1 87342 [0,1,0,1,0,0|0,0,0]=2 49 B12R1.519 CCOC(=O)C[C@H](N)C1CCC1 F53669 [0,1,0,1,0,0|0,0,0]=2 50 B12R1.17 CCOC(=O)C1CC(O)CCN1 D74738 [0,1,0,1,0,0|1,0,0]=3 51 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](N)C1 AT10467 [0,1,0,1,0,0|0,0,0]=2 52 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](N)C1 AT10468 [0,1,0,1,0,0|0,0,0]=2 53 B12R1.467 CCOC(=O)CCC1CC(=O)C1 D77232 [0,1,0,1,0,0|0,0,1]=3 54 B12R1.1595 CCOC(=O)[C@@]1(C)CCCNC1 D77241 [0,1,0,1,0,0|1,0,0]=3 55 B12R1.3393 CCOC(=O)[C@]1(F)CNC[C@H]1C E73318 [0,1,0,1,0,0|1,0,0]=3 56 B12R1.16 CCOC(=O)C1CCC(N)CO1 P13575 [0,1,0,1,0,0|1,0,0]=3 57 B12R1.16 CCOC(=O)[C@@H]1CC[C@@H](N)CO1 P15762 [0,1,0,1,0,0|1,0,0]=3 58 B12R1.16 CCOC(=O)[C@@H]1CC[C@H](N)CO1 P18533 [0,1,0,1,0,0|1,0,0]=3 59 B12R1.317 CCOC(=O)[C@H]1NCCC1(F)F AT12759 [0,1,0,1,0,0|2,0,0]=4 60 B12R2.10 O=C1OCCN1[C@H]2CCNC2 AT23196 [0,0,0,2,0,0|2,0,0]=4 61 B12R2.10 O=C1OCCN1[C@H]2CCNC2 AT23197 [0,0,0,2,0,0|2,0,0]=4 62 B12R2.10 O=C1OCCN1[C@H]2CCNC2 AT23198 [0,0,0,2,0,0|2,0,0]=4 63 B12R2.1081 O=C1CCNC2CCCCC12 AT25785 [0,0,0,2,0,0|2,0,0]=4 64 B12R2.1081 O=C1OCC[C@H]2CNCCN12 33778 [0,0,0,2,0,0|2,0,0]=4 65 B12R2.1469 CCOC(=O)C12CNCC1C2 P12823 [0,0,0,2,0,0|1,0,0]=3 66 B12R2.1469 CCOC(=O)[C@]12C[C@H]1CCN2 AT21888 [0,0,0,2,0,0|1,0,0]=3 67 B12R2.24 O=C1CCC2=C(CCCC2)O1 A11798 [0,0,0,2,0,0|0,0,2]=4 68 B12R2.24 O=C1CN2CCNC[C@H]2CO1 F53072 [0,0,0,2,0,0|2,0,0]=4 69 B12R2.2313 O=C1C[C@@H](C2CNC2)CCO1 CS2751 [0,0,0,2,0,0|1,0,0]=3 70 B12R2.5121 O=C1N[C@]2(CCNC2)CCO1 P13184 [0,0,0,2,0,0|2,0,0]=4 71 B12R2.5121 O=C1N[C@]2(CCNC2)CCO1 P13630 [0,0,0,2,0,0|2,0,0]=4 72 B12R2.3412 CCOC(=O)C1CC1C2CC2 P14775 [0,0,0,2,0,0|0,0,0]=2 73 B12R2.3429 CCOC(=O)[C@H]1CC12CNC2 84700 [0,0,0,2,0,0|1,0,0]=3 74 B12R2.469 O=C1CCCN(C2CC2)CC1 AC4527 [0,0,0,2,0,0|2,0,0]=4 75 B12R2.196 N[C@H]1CCCN2C(=O)OC[C@@H]12 P14686 [0,0,0,2,0,0|2,0,0]=4 76 B12R2.196 N[C@H]1CCCN2C(=O)OC[C@@H]12 P15710 [0,0,0,2,0,0|2,0,0]=4