0 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P11245 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E8131 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 P16662 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 B18347 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.8 CCCCNCC1=CC=CC=C1 B7598 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.8 OCCCNCC1=CC=CC=C1 B7682 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.27 CNC(=S)NCC1=CC=CC=C1 B8222 [1,0,0,0,0,0|2,1,0]=4 8 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [1,0,0,0,0,0|2,0,0]=3 10 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 A14485 [0,1,0,0,0,0|2,0,0]=3 11 B14R1.29 CCOC(=O)CC(N)C1=CN=CC=C1 A14604 [0,1,0,0,0,0|3,0,0]=4 12 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(F)=C1 F15738 [0,1,0,0,0,0|2,0,1]=4 13 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 C4389 [0,1,0,0,0,0|1,0,1]=3 14 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 F8771 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 E8648 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.502 CCOC(=O)\N=C\C1=CC=C(Cl)C=C1 C9524 [0,1,0,0,0,0|2,0,1]=4 17 B14R1.502 CCOC(=O)\N=C\C1=CC=C(F)C=C1 F8804 [0,1,0,0,0,0|2,0,1]=4 18 B14R1.756 O=C(OCC1=CC=CC=C1)C(Br)CBr B13062 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.101 C1=CC=C(CO[C@H]2CCNC2)C=C1 B18312 [0,0,0,1,0,0|2,0,1]=4 20 B12R1.32 CCCC(=O)OC1=CC=CC=C1 P7639 [0,0,0,0,1,0|0,0,0]=1 21 B12R1.32 CNCC(=O)CC1=CC=CC=C1 M5866 [0,0,0,0,1,0|1,0,0]=2 22 B14R1.520 CCCC(O)CNCC1=CC=CC=C1 B16811 [0,0,0,0,0,1|1,0,2]=4 23 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17740 [0,0,0,0,0,1|2,0,0]=3 24 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17741 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.28 CCO\C=N\C1=CC=CC=C1 E19308 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [2,0,0,0,0,0|1,1,0]=4 27 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [2,0,0,0,0,0|2,0,0]=4 28 B13R1.28 BrCCCCCCC1=CC=CC=C1 B10690 [1,1,0,0,0,0|1,0,1]=4 29 B13R1.718 CC[C@H](O)CNCC1=CC=CC=C1 B16829 [1,1,0,0,0,0|1,0,1]=4 30 B13R1.718 NCC(O)COCC1=CC=CC=C1 A14985 [1,1,0,0,0,0|1,0,1]=4 31 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 A15460 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M1255 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M13251 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.135 CNC(=O)C(C)CC1=CC=CC=C1 M13164 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M8214 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A6347 [1,1,0,0,0,0|0,0,0]=2 39 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 E8209 [0,1,0,0,1,0|1,0,0]=3 40 B13R1.19 O=C(CCCl)NC1=CC=C(Cl)C=C1 C9823 [0,1,0,0,1,0|2,0,0]=4 41 B13R1.20 CCOC(=O)CC1=CC=CC(N)=N1 E16038 [0,1,0,0,1,0|2,0,0]=4 42 B13R1.20 CCOC(=O)CC1=CC=CC(N)=N1 E16038 [0,1,0,0,1,0|2,0,0]=4 43 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 E8121 [0,1,0,0,1,0|1,0,1]=4 44 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 E9709 [0,1,0,0,1,0|1,0,0]=3 45 B13R1.470 CCOC(=O)CC1=CC=CC=C1N A15451 [0,1,0,0,1,0|1,0,0]=3 46 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 E9275 [0,1,0,0,0,1|2,0,0]=4 47 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 H7010 [0,1,0,0,0,1|2,0,0]=4 48 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 H7010 [0,1,0,0,0,1|2,0,0]=4 49 B15R1.826 CCOC(=O)[C@@H](O)CCC1=CC=CC=C1 E7192 [0,1,0,0,0,1|2,0,0]=4 50 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 E4092 [0,1,0,0,0,1|2,0,0]=4 51 B15R1.23 CCOC(=O)CC(N)C1=CC=C(Cl)C=C1 A14472 [0,2,0,0,0,0|2,0,0]=4 52 B15R1.23 CCOC(=O)CC(N)C1=CC=C(O)C=C1 A14475 [0,2,0,0,0,0|2,0,0]=4 53 B15R1.23 CCOC(=O)C[C@H](N)C1=CC=C(F)C=C1 A15296 [0,2,0,0,0,0|2,0,0]=4 54 B15R1.24 CCOC(=O)CC(N)C1=CC(Cl)=CC=C1 A14551 [0,2,0,0,0,0|2,0,0]=4 55 B15R1.24 CCOC(=O)CC(N)C1=CC(F)=CC=C1 A14550 [0,2,0,0,0,0|2,0,0]=4 56 B15R1.24 CCOC(=O)CC(N)C1=CC(F)=CC=C1 A14618 [0,2,0,0,0,0|2,0,0]=4 57 B15R1.24 CCOC(=O)CC(N)C1=CC=CC(O)=C1 A14528 [0,2,0,0,0,0|2,0,0]=4 58 B15R1.578 CCOC(=O)C(N)C(O)C1=CC=CC=C1 A14500 [0,2,0,0,0,0|2,0,0]=4 59 B15R1.578 CCOC(=O)C(N)C(O)C1=CC=CC=C1 A14500 [0,2,0,0,0,0|2,0,0]=4 60 B15R1.48 CCOC(=O)C(N)CC1=CC=C(O)C=C1 T19185 [0,2,0,0,0,0|2,0,0]=4 61 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T6308 [0,2,0,0,0,0|2,0,0]=4 62 B15R1.5919 NC(=S)CNC(=O)OCC1=CC=CC=C1 B10083 [0,2,0,0,0,0|1,0,1]=4 63 B15R1.5919 O=C(O)CCC(=O)OCC1=CC=CC=C1 S17857 [0,2,0,0,0,0|0,0,1]=3 64 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 C4348 [0,2,0,0,0,0|1,0,1]=4 65 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C17751 [1,0,0,1,0,0|1,0,1]=4 66 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 B15290 [1,0,0,1,0,0|2,0,0]=4 67 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [1,0,0,1,0,0|1,0,1]=4 68 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [1,0,0,1,0,0|1,0,1]=4 69 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B4758 [1,0,0,1,0,0|1,0,1]=4 70 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 P1318 [1,0,0,1,0,0|2,0,0]=4 71 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [1,0,0,1,0,0|2,0,0]=4 72 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.33 O=C1CCC2=CC=CC=C2CN1 T17510 [1,0,0,1,0,0|1,0,0]=3 75 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T7513 [0,0,0,1,1,0|1,0,0]=3 76 B13R2.163 O=C1CCSC2=CC=CC=C2N1 D17032 [0,0,0,1,1,0|2,0,0]=4 77 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 B10794 [0,0,0,1,0,1|1,0,0]=3 78 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 B3030 [0,0,0,1,0,1|1,0,0]=3 79 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 B16977 [0,0,0,1,0,1|2,0,0]=4 80 B15R2.548 O=C1CCN(C2=CC=CC=C2)CCN1 P15819 [0,0,0,1,0,1|2,0,0]=4 81 B15R2.38 O=C1CCCCC1CC2=CC=CC=C2 B8534 [0,1,0,1,0,0|1,0,0]=3 82 B15R2.38 O=C1CCCC\C1=C/C2=CC=CC=C2 B8454 [0,1,0,1,0,0|1,0,1]=4 83 B15R2.38 O=C1CNCCN1CC2=CC=CC=C2 B13430 [0,1,0,1,0,0|1,0,0]=3 84 B15R2.1356 CCOC(=O)[C@@H]1CC2=C(C=CC=C2)N1 I17976 [0,1,0,1,0,0|2,0,0]=4 85 B15R2.2195 C1=CC=C(COC2CCNCC2)C=C1 B15552 [0,1,0,1,0,0|1,0,1]=4 86 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [1,0,0,0,1,0|2,0,0]=4 87 B11R1.16 CCOC(=O)C1=CC=CN=C1 E0301 [0,0,0,0,2,0|2,0,0]=4 88 B11R1.16 CCOC(=O)C1=CC=CN=C1 E0301 [0,0,0,0,2,0|2,0,0]=4 89 B11R1.16 CCOC(=O)C1=CC=NC=C1 E2195 [0,0,0,0,2,0|2,0,0]=4 90 B11R1.16 O=C(CCCl)C1=CC=CC=C1 C4696 [0,0,0,0,2,0|1,0,0]=3 91 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 B9336 [0,0,0,0,0,2|2,0,0]=4