0 B8R0.1 CCOC(=O)\C=C\CO AT14907 [1,0,0,0,0,0|1,0,2]=4 1 B8R0.6 CCCCOC(=O)C=O 39366 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.6 COC(=O)C#CCCO AT15754 [1,0,0,0,0,0|1,0,2]=4 3 B10R0.2 CCOC(=O)CN(C)CCN AT15291 [0,1,0,0,0,0|2,0,0]=3 4 B10R1.10 CCC[C@H]1CCNC(=O)C1 AC9817 [0,0,0,1,0,0|1,0,0]=2 5 B10R1.11 CCOC(=O)[C@@H]1CCC=N1 AC7479 [0,0,0,1,0,0|1,0,1]=3 6 B10R1.11 CCOC(=O)[C@@H]1CCON1 33805 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.92 CCOC1CC(CCN)C1 33785 [0,0,0,1,0,0|2,0,1]=4 8 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C=O AT10666 [0,0,0,1,0,0|1,0,1]=3 9 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CBr AT12587 [0,0,0,1,0,0|1,0,0]=2 10 B10R1.135 CCOC(=O)[C@H]1C[C@H]1C=O AT15567 [0,0,0,1,0,0|1,0,1]=3 11 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CBr F50049 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.377 CCC[N+]1(C)CCCCC1 Y14747 [0,0,0,1,0,0|3,0,0]=4 13 B7R0.3 C\C=C(/C)CCCC T72329 [2,0,0,0,0,0|1,0,1]=4 14 B7R0.4 CCCCC[13C](=O)O 41454 [2,0,0,0,0,0|0,0,0]=2 15 B7R0.4 C[S@](=O)CCCCN AT23964 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.4 NCCCCC(N)=O D77059 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.4 O=C(O)COCCBr C70239 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.4 O=C(O)COCCF AT25496 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.34 CCOC(=O)CC(=O)CO D75487 [1,1,0,0,0,0|1,0,1]=4 20 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [1,1,0,0,0,0|1,0,0]=3 21 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [1,1,0,0,0,0|1,0,0]=3 22 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [1,1,0,0,0,0|1,0,0]=3 23 B9R0.45 CC\C=C\CCCCC=O P17001 [1,1,0,0,0,0|1,0,1]=4 24 B11R0.5 CCOC(=O)C[C@@H](C)CCCBr C92238 [0,2,0,0,0,0|0,0,0]=2 25 B11R0.5 CCOC(=O)C[C@@H](C)CCCO AC3899 [0,2,0,0,0,0|0,0,0]=2 26 B11R0.165 CC(C)(C)OC(=O)COCCBr C70804 [0,2,0,0,0,0|2,0,0]=4 27 B11R0.165 CCCNNC(=O)OC(C)(C)C AT16301 [0,2,0,0,0,0|2,0,0]=4 28 B11R0.170 CCOC(=O)CCC(F)(F)CO AT12467 [0,2,0,0,0,0|1,0,0]=3 29 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [1,0,0,1,0,0|1,0,0]=3 30 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.75 CCNC(=O)NC1CC1 AT23682 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [1,0,0,1,0,0|1,0,0]=3 36 B9R1.183 CCOC(=O)C1CC1O 92030 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.1 CC[C@@H]1C=CC(=O)CC1 AT12677 [1,0,0,1,0,0|0,0,2]=4 38 B9R1.1 CC[C@H]1CC[C@@H](N)CC1 AT14261 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.11 O=C(CBr)[C@H]1CCOC1 AT13306 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.81 COC(=O)[C@@H]1CCC1=O 54675 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72443 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72717 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P17882 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N D72718 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N P18452 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.81 COC(=O)[C@H]1CN[C@@H]1C P18147 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC E72924 [1,0,0,1,0,0|0,0,2]=4 48 B9R1.88 COC(=O)C1CC1C=O 58312 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO AT23910 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20219 [1,0,0,1,0,0|1,0,0]=3 51 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23908 [1,0,0,1,0,0|1,0,0]=3 52 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23909 [1,0,0,1,0,0|1,0,0]=3 53 B9R1.88 COC(=O)[C@H]1C[C@H]1CO D73972 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.132 CN1C(=O)CC[C@@H]1CN F13760 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.24 CNCCN1CCNC(=O)C1 AT12836 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.180 CCCCCN1CCCC1=O 65138 [0,1,0,1,0,0|1,0,0]=3 57 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53579 [0,1,0,1,0,0|0,0,0]=2 58 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53580 [0,1,0,1,0,0|0,0,0]=2 59 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53745 [0,1,0,1,0,0|0,0,0]=2 60 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53746 [0,1,0,1,0,0|0,0,0]=2 61 B11R1.816 CCOC(=O)[C@H]1C[C@@H]1C(=O)O C11021 [0,1,0,1,0,0|1,0,1]=4 62 B11R1.822 C#CC1CC(C(=O)OCC)C1 AT14002 [0,1,0,1,0,0|0,0,2]=4 63 B11R1.23 CCC(=O)[C@H]1CCCC(=O)C1 F53409 [0,1,0,1,0,0|1,0,1]=4 64 B11R2.35 O=C1CCO[C@H](C2CC2)C1 92418 [0,0,0,2,0,0|2,0,0]=4 65 B11R2.36 O=C1CCC2CNCC2C1 D72834 [0,0,0,2,0,0|2,0,0]=4 66 B11R2.36 O=C1CN2CCC[C@H]2CN1 62946 [0,0,0,2,0,0|2,0,0]=4 67 B11R2.106 O=C1NCC[C@@H]2CNC[C@H]12 E71066 [0,0,0,2,0,0|2,0,0]=4 68 B11R2.106 O=C1NCC[C@@H]2CNC[C@H]12 W14425 [0,0,0,2,0,0|2,0,0]=4 69 B11R2.1478 O=C1CCCC2(COC2)C1 AT10528 [0,0,0,2,0,0|2,0,0]=4 70 B11R2.3 O=C1NCCC12CCCC2 D85268 [0,0,0,2,0,0|1,0,0]=3 71 B11R2.3 O=C1OCC[C@]12CCNC2 E72860 [0,0,0,2,0,0|1,0,0]=3 72 B11R2.18 C1CCC2=[N+](CC1)CCO2 C11523 [0,0,0,2,0,0|1,0,0]=3 73 B11R2.64 O=C1CCN2CCC1CC2 F53547 [0,0,0,2,0,0|2,0,0]=4 74 B11R2.471 O=C1NCCCCC12CC2 AT22593 [0,0,0,2,0,0|2,0,0]=4 75 B11R2.1110 NCC12CCC(=O)CC1C2 F51246 [0,0,0,2,0,0|2,0,0]=4 76 B11R2.1 O=C1CC[C@@H]2CCNC[C@H]12 D79501 [0,0,0,2,0,0|2,0,0]=4 77 B11R2.1 O=C1NCC2CCCCC12 D76636 [0,0,0,2,0,0|1,0,0]=3 78 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 P11594 [0,0,0,2,0,0|2,0,0]=4 79 B11R2.1 O=C1OC[C@H]2CNCCN12 W10096 [0,0,0,2,0,0|2,0,0]=4 80 B11R2.10 O=C1CC2NCCCC2O1 D72752 [0,0,0,2,0,0|1,0,0]=3 81 B11R2.10 O=C1C[C@@H]2CCNC[C@@H]2N1 C77423 [0,0,0,2,0,0|2,0,0]=4 82 B11R2.139 NC1CC2CC(=O)CC2C1 AT25288 [0,0,0,2,0,0|2,0,0]=4