0 B9R0.35 CC#CC(=O)C(=O)OCC AT16811 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.1 CCOC(=O)\C=C\CO AT14907 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.3 C#CC[C@H](N)C(=O)OC AT23617 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.3 C=C(CF)C(=O)OCC C91938 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.3 CCOC(=O)C(C)=[N+]=[N-] AT25590 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [1,0,0,0,0,0|1,0,0]=2 6 B10R0.32 CCOC(=O)[C@@H](N)CN(C)C AT25505 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.11 CCOC(=O)[C@@H]1CCC=N1 AC7479 [0,0,0,1,0,0|1,0,1]=3 8 B10R1.11 CCOC(=O)[C@@H]1CCON1 33805 [0,0,0,1,0,0|2,0,0]=3 9 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C=O AT10666 [0,0,0,1,0,0|1,0,1]=3 10 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CBr AT12587 [0,0,0,1,0,0|1,0,0]=2 11 B10R1.135 CCOC(=O)[C@H]1C[C@H]1C=O AT15567 [0,0,0,1,0,0|1,0,1]=3 12 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CBr F50049 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.140 CCNC(=O)N1CC(O)C1 AT23069 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.140 CCOC(=O)N1CC(N)C1 AT23060 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 F52406 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.212 CCOC(=O)C(C)=C1CC1 78565 [0,0,0,1,0,0|0,0,2]=3 17 B10R1.401 CCOC(=O)C1(O)CCC1 AT24823 [0,0,0,1,0,0|1,0,0]=2 18 B10R0.2 CCOC(=O)CN(C)CCN AT15291 [0,0,0,0,0,1|2,0,0]=3 19 B7R0.3 C\C=C(/C)CCCC T72329 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.7 CCC[C@H](O)COC D77523 [2,0,0,0,0,0|1,0,1]=4 21 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [2,0,0,0,0,0|0,0,2]=4 22 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.10 COC(=O)[C@@H](F)CN 94838 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [2,0,0,0,0,0|2,0,0]=4 27 B9R0.34 CCOC(=O)CC(=O)CO D75487 [1,1,0,0,0,0|1,0,1]=4 28 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [1,1,0,0,0,0|1,0,0]=3 29 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [1,1,0,0,0,0|1,0,0]=3 30 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [1,1,0,0,0,0|1,0,0]=3 31 B9R0.6 CCOC(=O)[C@@H](C)C(=O)O C91037 [1,1,0,0,0,0|1,0,1]=4 32 B9R0.60 COC(=O)C(C)(C)CCBr AT23329 [1,1,0,0,0,0|1,0,0]=3 33 B11R0.5 CCOC(=O)C[C@@H](C)CCCBr C92238 [0,1,0,0,0,1|0,0,0]=2 34 B11R0.5 CCOC(=O)C[C@@H](C)CCCO AC3899 [0,1,0,0,0,1|0,0,0]=2 35 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F C12819 [0,2,0,0,0,0|1,0,0]=3 36 B11R0.61 CCOC(=N)C(OCC)OCC AT11740 [0,2,0,0,0,0|2,0,0]=4 37 B11R0.61 CCOC(=O)N(CCBr)CCBr D76587 [0,2,0,0,0,0|2,0,0]=4 38 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.75 CCNC(=O)NC1CC1 AT23682 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.183 CCOC(=O)C1CC1O 92030 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.3 CN1CCC[C@H](N)C1=O 20396 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.3 CN1CCC[C@H](N)C1=O 20397 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.11 O=C(CBr)[C@H]1CCOC1 AT13306 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P14334 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC E72924 [1,0,0,1,0,0|0,0,2]=4 51 B9R1.88 COC(=O)C1CC1C=O 58312 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO AT23910 [1,0,0,1,0,0|1,0,0]=3 53 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20219 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23908 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23909 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.88 COC(=O)[C@H]1C[C@H]1CO D73972 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.132 CCN1CC[C@H](N)C1=O AT19096 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.132 CN1C(=O)CC[C@@H]1CN F13760 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.132 CN1C(=O)OC[C@@H]1CO C77407 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.186 COC(=O)C1(N)CNC1 28014 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.186 COC(=O)[C@]1(C)CCN1 P14886 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.202 C[C@]1(CN)CCNC1=O AT19082 [1,0,0,1,0,0|2,0,0]=4 63 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53579 [0,0,0,1,0,1|1,0,0]=3 64 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53580 [0,0,0,1,0,1|1,0,0]=3 65 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53745 [0,0,0,1,0,1|1,0,0]=3 66 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53746 [0,0,0,1,0,1|1,0,0]=3 67 B11R1.822 C#CC1CC(C(=O)OCC)C1 AT14002 [0,1,0,1,0,0|0,0,1]=3 68 B11R1.86 CC(C)C[C@H]1COCCC1=O E73202 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.159 CC(C)N1CCC[C@H](N)C1=O 96112 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.184 CC1(C)C[C@H](CCO)C(=O)N1 AT26472 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.816 CCOC(=O)[C@H]1C[C@@H]1C(=O)O C11021 [0,1,0,1,0,0|1,0,1]=4 72 B11R1.833 CCOC(=O)C1(N)CC(C)C1 50672 [0,1,0,1,0,0|0,0,0]=2 73 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](N)C1 P13495 [0,1,0,1,0,0|0,0,0]=2 74 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](O)C1 P15696 [0,1,0,1,0,0|0,0,0]=2 75 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](N)C1 P15695 [0,1,0,1,0,0|0,0,0]=2 76 B11R2.106 O=C1NCC[C@@H]2CNC[C@H]12 E71066 [0,0,0,2,0,0|2,0,0]=4 77 B11R2.106 O=C1NCC[C@@H]2CNC[C@H]12 W14425 [0,0,0,2,0,0|2,0,0]=4 78 B11R2.367 C[C@H]1C(=O)C2CCN1CC2 F50826 [0,0,0,2,0,0|2,0,0]=4 79 B11R2.565 O=C1C2CCCC1CNC2 P14924 [0,0,0,2,0,0|2,0,0]=4 80 B11R2.370 O=C1CCCCC12CCC2 E73395 [0,0,0,2,0,0|1,0,0]=3 81 B11R2.370 O=C1CCNCC12CCC2 AT13177 [0,0,0,2,0,0|2,0,0]=4 82 B11R2.370 O=C1NCCSC12CCC2 AT25442 [0,0,0,2,0,0|2,0,0]=4 83 B11R2.3 O=C1NCCC12CCCC2 D85268 [0,0,0,2,0,0|1,0,0]=3 84 B11R2.3 O=C1OCC[C@]12CCNC2 E72860 [0,0,0,2,0,0|1,0,0]=3