0 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 F20204 [1,0,0,0,0,0|1,0,1]=3 1 B14R2.450 CC1=C(C(=O)O)N=C2C=CC=CN21 72513 [1,0,0,0,0,0|1,0,2]=4 2 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 86904 [1,0,0,0,0,0|0,0,1]=2 3 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 CX1247 [1,0,0,0,0,0|1,0,1]=3 4 B14R2.450 CC1=C(C(=O)O)SC2=C1C=CC=C2 84165 [1,0,0,0,0,0|1,0,1]=3 5 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 64221 [1,0,0,0,0,0|2,0,1]=4 6 B14R2.450 NC(=O)C1=C(N)C2=C(C=CC=C2)O1 11616 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 S10709 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 32817 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 29481 [1,0,0,0,0,0|1,0,0]=2 10 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)N1 D86903 [1,0,0,0,0,0|1,0,0]=2 11 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 29432 [1,0,0,0,0,0|2,0,0]=3 12 B16R2.6152 COC(=O)C1=C(C=O)C2=C(C=CC=C2)N1 53783 [0,1,0,0,0,0|0,0,0]=1 13 B16R2.11036 O=CC1=C(C(=O)O)NC2=C1C=C(Cl)C=C2 W16828 [0,1,0,0,0,0|0,0,0]=1 14 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O D81277 [0,0,1,0,0,0|2,0,1]=4 15 B16R3.3329 BrC1=C2NC3=C(C=CC=C3)C2=CC=C1 F16028 [0,0,0,1,0,0|3,0,0]=4 16 B16R3.3329 CC1=C2NC3=C(C=CC=C3)C2=CC=C1 D81002 [0,0,0,1,0,0|3,0,0]=4 17 B16R3.3329 CC1=NC=CC2=C1NC3=C2C=CC=C3 86504 [0,0,0,1,0,0|3,0,0]=4 18 B16R2.1612 COC1=CC2=CC=CC=C2C=C1C(=O)O 73991 [0,0,0,0,0,1|3,0,0]=4 19 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 C11409 [1,0,1,0,0,0|1,0,1]=4 20 B13R1.90 O=CC1=C(\C=C\C(=O)O)C=CC=C1 D81892 [1,0,1,0,0,0|1,0,0]=3 21 B13R2.45 CC1=C(C=O)OC2=C1C=CC=C2 D70515 [2,0,0,0,0,0|1,0,1]=4 22 B13R2.45 O=C1C2=C(C=CC=C2)C\C1=N\O 67544 [2,0,0,0,0,0|2,0,0]=4 23 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)N1 W10341 [2,0,0,0,0,0|1,0,0]=3 24 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 26375 [2,0,0,0,0,0|1,0,0]=3 25 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 S10131 [2,0,0,0,0,0|2,0,0]=4 26 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 50304 [2,0,0,0,0,0|2,0,0]=4 27 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 I10097 [2,0,0,0,0,0|2,0,0]=4 28 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 27762 [2,0,0,0,0,0|2,0,0]=4 29 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 F14760 [2,0,0,0,0,0|2,0,0]=4 30 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)S1 29569 [2,0,0,0,0,0|2,0,0]=4 31 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 33880 [2,0,0,0,0,0|0,0,0]=2 32 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 O11693 [2,0,0,0,0,0|1,0,0]=3 33 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 28795 [2,0,0,0,0,0|1,0,0]=3 34 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 69398 [2,0,0,0,0,0|1,0,0]=3 35 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 82838 [2,0,0,0,0,0|1,0,0]=3 36 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 BL007542 [2,0,0,0,0,0|1,0,0]=3 37 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 65540 [2,0,0,0,0,0|1,0,0]=3 38 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 F51524 [2,0,0,0,0,0|2,0,0]=4 39 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 68905 [2,0,0,0,0,0|1,0,1]=4 40 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 W10230 [2,0,0,0,0,0|1,0,1]=4 41 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 53616 [2,0,0,0,0,0|1,0,0]=3 42 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 BL005417 [2,0,0,0,0,0|1,0,1]=4 43 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 31091 [2,0,0,0,0,0|0,0,2]=4 44 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 62704 [2,0,0,0,0,0|0,0,2]=4 45 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 78262 [2,0,0,0,0,0|0,0,2]=4 46 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 71014 [2,0,0,0,0,0|0,0,1]=3 47 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)S1 F11142 [2,0,0,0,0,0|1,0,1]=4 48 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N\O D95367 [2,0,0,0,0,0|1,0,1]=4 49 B13R2.135 O=CC1=C(Cl)NC2=C1C=CC=C2 68117 [2,0,0,0,0,0|1,0,0]=3 50 B13R2.135 O=C[C@@H]1C(=O)NC2=C1C=CC=C2 80246 [2,0,0,0,0,0|0,0,1]=3 51 B15R1.3565 CC(=O)N\C(=C\C1=CC=CC=C1)C(=O)O AB6004 [0,1,1,0,0,0|2,0,0]=4 52 B15R1.3565 CC(=O)N\C(=C\C1=CC=CC=C1)C(=O)O AC9153 [0,1,1,0,0,0|2,0,0]=4 53 B15R1.3565 O=C(O)C\C(=C\C1=CC=CC=C1)C(=O)O D76142 [0,1,1,0,0,0|1,0,1]=4 54 B15R2.1592 COC(=O)C1=C(Br)C2=C(C=CC=C2)N1 29928 [1,1,0,0,0,0|1,0,0]=3 55 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=C2)S1 D81976 [1,1,0,0,0,0|2,0,0]=4 56 B15R2.7203 CC1=C(C(=O)O)SC2=C1C=C(Cl)C=C2 84393 [1,1,0,0,0,0|1,0,1]=4 57 B15R2.13463 O=C(O)C1=C(O)C2=CC=CC(Cl)=C2S1 D82825 [1,1,0,0,0,0|1,0,1]=4 58 B15R2.14758 CC1=C(C(=O)O)SC2=C1C=CC(Cl)=C2 84512 [1,1,0,0,0,0|1,0,1]=4 59 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 75800 [1,1,0,0,0,0|2,0,0]=4 60 B17R2.45126 O=C(O)C1=CC2=CC=CC=C2C=C1C(=O)O 73962 [0,1,0,0,0,1|1,0,0]=3 61 B17R2.45126 O=C(O)C1=CC2=CC=CC=C2N=C1C(=O)O 29003 [0,1,0,0,0,1|0,0,1]=3 62 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O F20401 [0,0,1,1,0,0|2,0,0]=4 63 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O P10186 [0,0,1,1,0,0|2,0,0]=4 64 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O 90275 [0,0,1,1,0,0|2,0,0]=4 65 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O D77800 [0,0,1,1,0,0|1,0,1]=4 66 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 S10677 [0,0,1,1,0,0|1,0,0]=3 67 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(O)=C1 S12153 [0,0,1,1,0,0|0,0,2]=4 68 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 29288 [0,0,1,1,0,0|2,0,0]=4 69 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)N2 AT24454 [1,0,0,1,0,0|2,0,0]=4 70 B15R3.3 C1=CC2=C(C=C1)C3=C(C=NC=C3)N2 87277 [1,0,0,1,0,0|2,0,0]=4 71 B17R3.3374 O=C1OC(=O)C2=CC3=CC=CC=C3C=C12 D70358 [0,0,0,1,0,1|1,0,0]=3 72 B17R3.34304 O=C1OC(=O)C2=C1C=CC3=CC=CC=C32 T72583 [0,0,0,1,0,1|1,0,0]=3 73 B17R3.34483 O=C1NC(=O)C2=C(N1)C3=C(C=CC=C3)O2 RB3192 [0,1,0,1,0,0|2,0,0]=4 74 B17R3.633 O=CC1=NC=CC2=C1NC3=C2C=CC=C3 83001 [0,1,0,1,0,0|2,0,0]=4 75 B15R2.627 NC1=C(C(=O)O)C=CC2=CC=CC=C21 27610 [1,0,0,0,0,1|2,0,0]=4 76 B15R2.627 O=C(O)C1=C(Br)C2=CC=CC=C2C=C1 F14955 [1,0,0,0,0,1|2,0,0]=4 77 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2C=C1 D70638 [1,0,0,0,0,1|1,0,1]=4 78 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 W10229 [1,0,0,0,0,1|0,0,2]=4 79 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O 69805 [1,0,0,0,0,1|1,0,1]=4 80 B15R2.627 O=C(O)C1=CNC2=C(C=CC=C2)C1=O 80964 [1,0,0,0,0,1|0,0,0]=2