0 B9R1.34 CC1CC(N)CC(C)N1 D86047 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.34 CC1CC(N)CC(C)S1 89935 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.34 CC1CC(N)CC(C)S1 C93279 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 F31011 [1,0,0,0,0,0|1,0,2]=4 4 B9R1.66 CC1(C)CNC[C@@H](O)C1 AT13827 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.66 CC1(C)C[C@@H](N)CCS1 C93277 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.66 CC1CC(C)(O)CCN1 C77403 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.66 C[C@H]1CCCC(C)(C)N1 E73399 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.66 N[C@H]1CCCC(F)(F)C1 72331 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.66 O[C@H]1CCCC(F)(F)C1 P19500 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.1362 CC1CC(C)(C)NC(C)(C)C1 AT13201 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.36 C[C@H]1CC(C)(C)NC1=O D75541 [0,0,0,0,1,0|1,0,2]=4 12 B8R0.5 CC(C)C[C@@H](N)CCO AT14312 [1,0,1,0,0,0|1,0,0]=3 13 B8R0.28 CC(C)\C=C\CC(C)C T70700 [1,0,1,0,0,0|0,0,2]=4 14 B8R1.4 C[C@@H]1CNC[C@@H](O)C1 AT13826 [2,0,0,0,0,0|1,0,0]=3 15 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [2,0,0,0,0,0|1,0,0]=3 16 B8R1.4 C[C@H]1CNC[C@H](C)N1 C15745 [2,0,0,0,0,0|2,0,0]=4 17 B8R1.4 C[C@H]1CNC[C@H](C)N1 P10621 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.4 C[C@H]1COC[C@H](C)N1 D72922 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.4 C[C@H]1COC[C@H](C)N1 F17621 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.4 N[C@@H]1CCC[C@H](F)C1 P18319 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.4 N[C@@H]1CCC[C@H](O)C1 W10001 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.4 N[C@H]1CCC[C@H](O)C1 W10002 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24411 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.72 CC1(C)CCCCN1 AT24207 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.72 CC1(C)CNCCS1 AT25269 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.72 CC1(C)CSCCN1 AT10787 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.72 C[C@]1(F)CCCNC1 73130 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.72 C[C@]1(O)CCCNC1 P19254 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.8 CC1CC(C#N)CC(C)S1 89938 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.120 CC1(C)CC(=O)CC[C@@H]1O Y10490 [1,1,0,0,0,0|0,0,2]=4 32 B10R1.120 CN1CC[C@H](N)C(C)(C)C1 F50245 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.171 C#C[C@H]1CCCC(C)(C)C1 AT26804 [1,1,0,0,0,0|0,0,1]=3 34 B10R1.171 CC1(C)CCC[C@H](CO)N1 AT24250 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.171 CC1(C)CCC[C@H](CO)N1 AT24251 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.171 CC1(C)C[C@@H](C#N)CCS1 89940 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.171 CC1(C)C[C@@H](CI)CCO1 AT22102 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.301 CC1(C)CNC[C@@H](F)[C@@H]1O P14253 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.301 CC1(C)CNC[C@H](F)[C@@H]1O P14692 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.301 CC1(C)CNC[C@H](F)[C@@H]1O P15712 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.307 CC1(C)CNCC(C)(C)N1 D86049 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.307 CC1(C)COCC(C)(C)N1 86822 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.560 CC1(C)C[C@H](N)C(C)(C)C1 P11157 [0,1,0,0,1,0|1,0,0]=3 44 B10R1.272 CC1(C)CC(N)CC1(C)C AC5667 [0,1,0,0,1,0|1,0,0]=3 45 B12R1.242 CC1(C)CC(CO)CC(C)(C)N1 P18954 [0,2,0,0,0,0|1,0,0]=3 46 B10R1.95 CC1(C)CCN(CCN)C1 E72849 [0,0,1,1,0,0|2,0,0]=4 47 B10R1.95 CC1(C)C[C@H](CCO)CN1 AT26471 [0,0,1,1,0,0|1,0,0]=3 48 B10R1.95 OCC[C@H]1CCC(F)(F)C1 AT26715 [0,0,1,1,0,0|2,0,0]=4 49 B10R1.281 CC(C)(C)O[C@H]1CCNC1 AT22527 [0,0,1,1,0,0|2,0,0]=4 50 B10R1.281 CC(C)(C)O[C@H]1CCNC1 AT22531 [0,0,1,1,0,0|2,0,0]=4 51 B10R1.54 CC(C)C[C@H]1CCC(=O)C1 33492 [0,0,1,1,0,0|0,0,2]=4 52 B10R2.71 F[C@H]1C[C@@H]2CC[C@H](C1)N2 P12142 [1,0,0,1,0,0|2,0,0]=4 53 B10R2.71 NC1CC2CCN(C1)C2 AT25955 [1,0,0,1,0,0|2,0,0]=4 54 B10R2.71 N[C@H]1C[C@@H]2CC[C@H](C1)O2 P14621 [1,0,0,1,0,0|2,0,0]=4 55 B10R2.71 OC1CC2CCN(C1)C2 AT25953 [1,0,0,1,0,0|1,0,0]=3 56 B10R2.71 OC1CC2COC(C1)O2 AT23582 [1,0,0,1,0,0|2,0,0]=4 57 B10R2.177 CC12CC(=O)CCC1C2 P13990 [1,0,0,1,0,0|0,0,2]=4 58 B10R2.236 NC12CCCN(CC1)C2 E73174 [1,0,0,1,0,0|2,0,0]=4 59 B10R2.534 N[C@H]1CCCC2(CC2)C1 P12702 [1,0,0,1,0,0|1,0,0]=3 60 B10R2.534 N[C@H]1CCOC2(CC2)C1 AT24693 [1,0,0,1,0,0|2,0,0]=4 61 B10R2.534 O[C@H]1CCOC2(CC2)C1 AT24692 [1,0,0,1,0,0|1,0,0]=3 62 B10R2.44 CN1C[C@H](N)C2(CC2)C1 AT15864 [0,0,0,1,1,0|2,0,0]=4 63 B10R2.44 CN1C[C@H](N)C2(CC2)C1 AT15889 [0,0,0,1,1,0|2,0,0]=4 64 B10R2.44 CN1C[C@H](N)C2(CC2)C1 AT15892 [0,0,0,1,1,0|2,0,0]=4 65 B12R2.6867 CC12CCC(C)(CC(O)C1)N2 AT24541 [0,0,0,1,0,1|1,0,0]=3 66 B8R0.14 CC(C)(C)[C@@H](N)CCO F53824 [0,0,1,0,1,0|1,0,0]=3 67 B8R0.14 CC(C)(O)[C@@H](F)CCO AC7016 [0,0,1,0,1,0|2,0,0]=4 68 B8R1.18 N[C@@H]1C[C@H](O)[C@H](O)C1 F50032 [1,0,0,0,1,0|2,0,0]=4 69 B8R1.18 N[C@H]1C[C@@H](O)C[C@@H]1O AT24208 [1,0,0,0,1,0|2,0,0]=4 70 B8R1.19 CC1(C)CCC[C@@H]1N P21031 [1,0,0,0,1,0|1,0,0]=3 71 B8R1.19 CC1(C)CNC[C@@H]1O C91233 [1,0,0,0,1,0|1,0,0]=3 72 B8R1.19 CC1(C)CNC[C@@H]1O F12502 [1,0,0,0,1,0|1,0,0]=3 73 B8R1.19 CC1(C)CNC[C@@H]1O F12503 [1,0,0,0,1,0|1,0,0]=3 74 B8R1.19 CC1(O)CCCC1N AT16546 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.19 C[C@]1(O)CCC[C@@H]1N D77066 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.51 CC1(O)CCC(N)C1 P13560 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.51 CC1(O)CCC(N)C1 P18531 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.51 C[C@@H]1CNC(C)(C)C1 D75540 [1,0,0,0,1,0|1,0,0]=3 79 B8R1.51 C[C@H]1CC(C)(C)CN1 E72926 [1,0,0,0,1,0|1,0,0]=3 80 B8R1.29 CC1(C)C[C@H](N)[C@@H]1O AT11410 [0,0,0,0,2,0|1,0,0]=3 81 B8R1.24 CC1(C)C(O)CC1O AT20121 [0,0,0,0,2,0|1,0,0]=3