0 B10R1.66 FC(F)OC[C@H]1CCCN1 AT23501 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.66 FC(F)OC[C@H]1CCCN1 AT23502 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.66 FC(F)OC[C@H]1CCCN1 AT23503 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.12 COCC[C@H]1CCCN1 37988 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.12 O=C\C=C\C1CCCC1 59600 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.25 COC(=O)CC[C@H]1CCNC1 AC9534 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.35 O=C(O)[C@@H](O)CC1CCCC1 69646 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.35 O=C(O)[C@@H](O)CC1CCCC1 AT24788 [0,1,0,0,0,0|3,0,0]=4 8 B11R2.36 O=C1CCC2CNCC2C1 D72834 [0,0,0,1,0,0|3,0,0]=4 9 B11R2.36 O=C1CN2CCC[C@H]2CN1 62946 [0,0,0,1,0,0|2,0,0]=3 10 B11R2.748 O=C1CCC2(CCCC2)N1 91435 [0,0,0,1,0,0|3,0,0]=4 11 B11R2.748 O=C1CC[C@]2(CCOC2)C1 AT10544 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.748 O=C1NC2(CCCC2)CO1 F53260 [0,0,0,1,0,0|2,0,0]=3 13 B11R2.845 NC(=O)N1C[C@@H]2C[C@H]1CN2 AT23071 [0,0,0,1,0,0|3,0,0]=4 14 B11R2.845 O=C(O)C1CC2CCC1N2 AT23904 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.845 O=C(O)C1CC2CCC1N2 F53448 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.84 O=C(O)CCC1CNC1 AT26044 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.84 O=C(O)CCC1COC1 52191 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.91 O=C(O)CC[C@H]1CCCCN1 AT26066 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.91 O=C(O)CC[C@H]1CCCNC1 95579 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.91 O=C(O)CC[C@H]1CCCNC1 95580 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.91 O=C(O)CC[C@H]1CNCCO1 AT21854 [0,0,0,0,0,1|2,0,0]=3 22 B11R1.91 O=C(O)CC[C@H]1COCCN1 58481 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.91 O=C(O)CC[C@H]1COCCN1 58482 [0,0,0,0,0,1|3,0,0]=4 24 B8R1.8 COC[C@H]1CCNC1 P12587 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.8 NCC[C@H]1CCCO1 AT11472 [2,0,0,0,0,0|1,0,1]=4 26 B8R1.8 NOCC1CCCC1 Y11655 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.8 O=CC[C@H]1CCOC1 E72813 [2,0,0,0,0,0|2,0,0]=4 28 B10R0.74 COC(=O)COCCCCO AT19930 [0,1,1,0,0,0|2,0,0]=4 29 B10R1.54 CC(=O)O[C@@H]1C=C[C@@H](O)C1 F18068 [0,1,0,0,1,0|1,0,1]=4 30 B10R1.281 CS(=O)(=O)C[C@H]1CCCN1 AT26757 [0,1,0,0,1,0|2,0,0]=4 31 B10R1.151 COC(=O)CCC1CNC1 AT26042 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.204 O=C(O)[C@@H](O)CC1CCC1 69650 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.204 O=C(O)[C@@H](O)CC1CCC1 AT24787 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 86842 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 F53765 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 F53766 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 F53812 [0,1,0,0,1,0|2,0,0]=4 38 B12R1.27 CNC(=O)NC[C@H]1COCCN1 E73088 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 67403 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.1806 CC1(C)CO[C@@H](CCC(=O)O)C1 E73264 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.10 CCC[C@H]1CCNC(=O)C1 AC9817 [0,0,1,1,0,0|2,0,0]=4 42 B10R1.18 CC(=O)N[C@H]1CCCNC1 D76222 [0,0,1,1,0,0|2,0,0]=4 43 B10R1.348 O=C(O)[C@H]1CCCOCC1 85693 [0,0,1,1,0,0|2,0,0]=4 44 B10R1.348 O=C(O)[C@H]1CCCOCC1 85694 [0,0,1,1,0,0|2,0,0]=4 45 B10R1.1 CCON1CCC(=O)CC1 92110 [0,0,1,1,0,0|2,0,0]=4 46 B10R2.7 C1CC2OCCC2CN1 N10709 [1,0,0,1,0,0|2,0,0]=4 47 B10R2.7 C1C[C@@H]2CCO[C@H]2CN1 W14312 [1,0,0,1,0,0|1,0,1]=4 48 B10R2.7 C1C[C@@H]2OCC[C@@H]2CN1 E72942 [1,0,0,1,0,0|2,0,0]=4 49 B10R2.32 O=C1CC[C@@H]2CCC[C@H]12 E73246 [1,0,0,1,0,0|2,0,0]=4 50 B10R2.32 O=C1NCC2CCCC12 AT20359 [1,0,0,1,0,0|2,0,0]=4 51 B10R2.178 O=C1NCC2CCC1N2 P12579 [1,0,0,1,0,0|2,0,0]=4 52 B10R2.178 O=C1NCC2CC[C@@H]1N2 I10809 [1,0,0,1,0,0|2,0,0]=4 53 B10R2.2 O=C1CC2CCCC2C1 AT20192 [0,0,0,1,1,0|1,0,0]=3 54 B10R2.2 O=C1C[C@@H]2CCCN2C1 D74394 [0,0,0,1,1,0|1,0,0]=3 55 B10R2.2 O=C1C[C@@H]2CCC[C@@H]2C1 AT20194 [0,0,0,1,1,0|1,0,0]=3 56 B10R2.2 O=C1C[C@H]2CCO[C@H]2O1 D74252 [0,0,0,1,1,0|0,0,0]=2 57 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 D96566 [0,0,0,1,1,0|2,0,0]=4 58 B10R2.2 O[C@@H]1C[C@H]2CCO[C@H]2O1 D74251 [0,0,0,1,1,0|0,0,2]=4 59 B10R2.2 O[C@H]1C[C@H]2CCO[C@H]2O1 D74250 [0,0,0,1,1,0|0,0,2]=4 60 B10R2.71 N[C@H]1C[C@@H]2CC[C@H](C1)O2 P14621 [0,0,0,1,1,0|1,0,1]=4 61 B10R2.71 O=C1CC2CCN(C1)C2 AT25954 [0,0,0,1,1,0|2,0,0]=4 62 B10R2.351 O=C(O)C1C2CCCC21 D72856 [0,0,0,1,1,0|2,0,0]=4 63 B10R2.332 O=C1NC2(CNC2)CO1 56279 [0,0,0,1,1,0|2,0,0]=4 64 B12R2.24 O=C1CC[C@H]2CNCCN2C1 AT18736 [0,0,0,1,0,1|2,0,0]=4 65 B12R2.24 O=C1CN2CCNC[C@H]2CO1 F53072 [0,0,0,1,0,1|1,0,0]=3 66 B12R2.2918 O=C1NC2(CCCCC2)CO1 F53261 [0,0,0,1,0,1|2,0,0]=4 67 B12R2.3190 CC(=O)N1C[C@@H]2CCNC[C@@H]21 P13355 [0,0,0,1,0,1|2,0,0]=4 68 B12R2.1362 O=C(O)[C@@H]1CO[C@@H]2OCC[C@@H]21 D74253 [0,0,0,1,0,1|2,0,0]=4 69 B12R2.1362 O=C(O)[C@H]1OC[C@H]2CCC[C@H]21 E73208 [0,0,0,1,0,1|2,0,0]=4 70 B12R2.1175 O=C1CCC2(CN1)OCCO2 P19353 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.1596 COC(=O)C1CC2CCC1N2 F53783 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.252 O=C(O)C1C[C@@H]2OCC[C@@H]2N1 E73351 [0,1,0,1,0,0|2,0,0]=4 73 B8R0.5 NCC[C@H](O)CC(=O)O W16189 [0,0,1,0,1,0|2,0,0]=4 74 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [0,0,0,0,2,0|0,0,0]=2 75 B8R1.7 C[C@H](N)[C@@H]1CCCO1 W15865 [0,0,0,0,2,0|1,0,1]=4 76 B8R1.7 C[C@H](O)[C@@H]1CCCO1 E72115 [0,0,0,0,2,0|0,0,2]=4 77 B8R1.34 O=C(O)CN1CCC1 D96863 [0,0,0,0,2,0|2,0,0]=4 78 B8R1.34 O=C(O)C[C@H]1CCN1 P19180 [0,0,0,0,2,0|2,0,0]=4