0 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 SPC-r047 [1,0,0,0,0,0|1,0,2]=4 1 B9R1.66 CC1(C)CC(=O)CCO1 SPC-s192 [1,0,0,0,0,0|1,0,2]=4 2 B9R1.66 CC1(C)CCCC(=O)C1 SPC-p301 [1,0,0,0,0,0|0,0,2]=3 3 B9R1.66 CC1(C)CCC[C@H](N)C1 SPC-u777 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.66 CN1CCC[C@](C)(N)C1 SPC-k054 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.66 N[C@H]1CCCC(F)(F)C1 SPC-q579 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.1362 CC1(C)CC(=O)CC(C)(C)C1 SPC-r387 [0,1,0,0,0,0|0,0,2]=3 7 B11R1.1362 CC1(C)CC(=O)CC(C)(C)O1 SPC-g936 [0,1,0,0,0,0|1,0,2]=4 8 B11R1.1362 CC1(C)CC(O)CC(C)(C)O1 SPC-k059 [0,1,0,0,0,0|1,0,0]=2 9 B11R2.526 CC1(O)CC2CCC(C1)N2 SPC-p405 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.4 CC1CC(N)CCO1 SPC-m997 [2,0,0,0,0,0|2,0,0]=4 11 B8R1.4 CC1CC(O)CCN1 SPC-p253 [2,0,0,0,0,0|1,0,0]=3 12 B8R1.4 CC1CC(O)CCN1 SPC-r050 [2,0,0,0,0,0|1,0,0]=3 13 B8R1.4 CC1CC(O)CCO1 SPC-g891 [2,0,0,0,0,0|1,0,0]=3 14 B8R1.4 CC1CNCC(C)N1 SPC-k259 [2,0,0,0,0,0|2,0,0]=4 15 B8R1.4 CN1CCC[C@@H](O)C1 SPC-j194 [2,0,0,0,0,0|1,0,0]=3 16 B8R1.4 CN1CCC[C@H](O)C1 SPC-j195 [2,0,0,0,0,0|1,0,0]=3 17 B8R1.4 C[C@@H]1CN(C)CCN1 SPC-s054 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SPC-h032 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.4 C[C@@H]1C[C@H](O)CCN1 SPC-m097 [2,0,0,0,0,0|1,0,0]=3 20 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SPC-g004 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.4 C[C@H]1CNC[C@H](C)N1 SPC-n727 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.4 C[C@H]1CNC[C@H](C)O1 SPC-k818 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.4 C[C@H]1COC[C@@H](C)N1 SPC-p942 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.4 C[C@H]1C[C@@H](O)CCN1 SPC-u060 [2,0,0,0,0,0|1,0,0]=3 25 B8R1.4 NC1COCC(O)C1 SPC-t029 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SPC-q760 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.4 N[C@H]1CCC[C@H](F)C1 SPC-u860 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.4 N[C@H]1CCC[C@H](N)C1 SPC-n678 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.4 N[C@H]1CCC[C@H](O)C1 SPC-n635 [2,0,0,0,0,0|1,0,0]=3 30 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.72 CC1(C)CNCCO1 SPC-m460 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.72 CC1(N)CCOCC1 SPC-h385 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.72 CC1(N)CCOCC1 SPC-r348 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.72 CC1(O)CCNCC1 SPC-j073 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.72 CC1(O)CCNCC1 SPC-n154 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.72 C[C@]1(O)CCCNC1 SPC-h456 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.72 C[C@]1(O)CCCNC1 SPC-u662 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.72 C[Si]1(C)CCNCC1 SPC-k462 [2,0,0,0,0,0|1,1,0]=4 39 B10R1.8 CC1CC(C)CC(CO)C1 SPC-v092 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.8 CC1CC(CO)CC(C)N1 SPC-u100 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.171 CC1(C)C[C@@H](C=O)CCO1 SPC-t602 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.171 NC[C@H]1CCCC(F)(F)C1 SPC-q767 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.171 NC[C@H]1CCCC(F)(F)C1 SPC-t504 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.560 CC1(C)C[C@H](N)C(C)(C)C1 SPC-p103 [0,1,0,0,1,0|1,0,0]=3 45 B12R1.242 CC1(C)CC(C=O)CC(C)(C)O1 SPC-s188 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.242 CC1(C)CC(CO)CC(C)(C)O1 SPC-s022 [0,2,0,0,0,0|1,0,0]=3 47 B10R1.95 CC1(C)OC[C@H](CCO)O1 SPC-s223 [0,0,1,1,0,0|2,0,0]=4 48 B10R2.63 NC1CC2CC(O)C1C2 SPC-m382 [1,0,0,1,0,0|1,0,0]=3 49 B10R2.71 NC1CC2CCC(C1)C2 SPC-p916 [1,0,0,1,0,0|1,0,0]=3 50 B10R2.71 NC1CC2CCC(C1)O2 SPC-u394 [1,0,0,1,0,0|2,0,0]=4 51 B10R2.71 NC1CC2CCC(C1)O2 SPC-u404 [1,0,0,1,0,0|2,0,0]=4 52 B10R2.71 O=C1CC2CCC(C1)C2 SPC-j939 [1,0,0,1,0,0|0,0,2]=4 53 B10R2.235 NC12CCCC(F)(C1)C2 SPC-a943 [1,0,0,1,0,0|2,0,0]=4 54 B10R2.235 NC12CCCC(N)(C1)C2 SPC-a523 [1,0,0,1,0,0|2,0,0]=4 55 B10R2.236 NC12CCCC(CC1)C2 SPC-a921 [1,0,0,1,0,0|1,0,0]=3 56 B10R2.534 N[C@H]1CCCC2(CC2)C1 SPC-t837 [1,0,0,1,0,0|1,0,0]=3 57 B10R2.534 O=C1CCCC2(CC2)C1 SPC-q768 [1,0,0,1,0,0|0,0,2]=4 58 B8R1.19 CC1(C)CCCC1=O SPC-q787 [1,0,0,0,1,0|0,0,2]=4 59 B8R1.51 CC1(C)C[C@H](O)CN1 SPC-r279 [1,0,0,0,1,0|1,0,0]=3 60 B8R1.51 O[C@H]1CCC(F)(F)C1 SPC-n083 [1,0,0,0,1,0|2,0,0]=4 61 B8R1.24 CC1(C)[C@@H](N)C[C@H]1O SPC-i837 [0,0,0,0,2,0|1,0,0]=3