0 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 7894AE [0,0,0,0,0,0|1,1,0]=2 1 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 8868AA [0,0,0,0,0,0|2,0,0]=2 2 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 5340AB [0,0,0,0,0,0|3,0,1]=4 3 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 5357AC [0,0,0,0,0,0|3,0,1]=4 4 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 V7834 [0,1,0,0,0,0|1,1,0]=3 5 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 3839AB [0,1,0,0,0,0|1,0,0]=2 6 B13R2.531 COC(=O)C1=CC2=C(N1)OC=C2 0320AB [0,1,0,0,0,0|2,0,0]=3 7 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 Y7192 [0,1,0,0,0,0|2,0,0]=3 8 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 Y7172 [0,1,0,0,0,0|1,1,0]=3 9 B11R1.35 O=C(O)C(=O)NC1=NC=CS1 8166AE [0,0,1,0,0,0|3,0,0]=4 10 B11R1.90 CC1=C(\C=C\C(=O)O)SC=C1 2184AC [0,0,1,0,0,0|2,0,0]=3 11 B11R1.90 CC1=C(\C=C\C(=O)O)SC=C1 Z2093 [0,0,1,0,0,0|2,0,0]=3 12 B13R2.430 NC(=O)C1=CC2=C(C=C1)SC=N2 2553AA [0,0,0,0,0,1|2,0,0]=3 13 B13R2.430 O=C(O)C1=CC2=C(N=CN2)N=C1 1883AB [0,0,0,0,0,1|1,0,1]=3 14 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 Y4644 [0,0,0,0,0,1|2,1,0]=4 15 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 Z4196 [0,0,0,0,0,1|1,1,0]=3 16 B13R2.430 O=C(O)C1=CC=C2SC=CC2=C1 Y8191 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 W7880 [0,0,0,0,0,1|1,0,0]=2 18 B13R2.430 O=C(O)C1=CN2N=CN=C2C=C1 X8712 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 Z8614 [0,0,0,0,0,1|1,1,1]=4 20 B13R2.430 O=C(O)C1=NC2=C(C=C1)N=CN2 0517AA [0,0,0,0,0,1|1,0,2]=4 21 B13R2.430 O=C(O)[C@@H]1CC2=C(CN1)N=CN2 5519AH [0,0,0,0,0,1|1,0,2]=4 22 B13R2.430 OB(O)C1=CC=C2N=CSC2=C1 V6205 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 5744AB [0,0,0,0,0,1|3,0,0]=4 24 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 1053AE [0,0,0,0,0,1|3,0,0]=4 25 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 8940AC [0,0,0,0,0,1|2,0,0]=3 26 B13R2.435 O=C(O)C1=CC2=C(CCCC2)N1 3644AD [0,0,0,0,0,1|2,0,1]=4 27 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 9033AF [0,0,0,0,0,1|2,0,1]=4 28 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [1,0,1,0,0,0|1,0,1]=4 29 B10R1.31 N#CC1=CNC(C(=O)O)=C1 X5552 [1,0,1,0,0,0|0,0,2]=4 30 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 1031AE [1,0,1,0,0,0|2,0,0]=4 31 B14R2.601 CC(=O)C1=CC2=C(C=C1)N=C(Cl)S2 9255AB [0,1,0,0,0,1|2,0,0]=4 32 B14R2.601 CC(=O)C1=CC2=C(C=C1)N=C(N)S2 0821AB [0,1,0,0,0,1|2,0,0]=4 33 B14R2.601 NC1=NC2=C(C=CC(C(=O)O)=C2)N1 9383AJ [0,1,0,0,0,1|2,0,0]=4 34 B14R2.601 O=C1NC2=CC=C(C(=O)O)C=C2S1 Y4897 [0,1,0,0,0,1|1,0,1]=4 35 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 5581AA [0,1,0,0,0,1|1,1,0]=4 36 B14R2.966 COC(=O)C1=CC=C2N=CSC2=C1 1479AC [0,1,0,0,0,1|1,0,0]=3 37 B14R2.966 COC(=O)C1=CC=C2SN=NC2=C1 Y8382 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.8824 O=C(O)C1=CC(Br)=C2NC=NC2=C1 Z9929 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 8267AC [0,1,0,0,0,1|2,0,0]=4 40 B14R2.450 NC1=C(C(=O)O)SC2=C1C=NC=N2 6327AJ [0,1,0,0,0,1|2,0,0]=4 41 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CN=C2S1 5982AC [0,1,0,0,0,1|2,0,0]=4 42 B14R2.450 O=C(O)C1=C(I)C2=CC=CC=C2N1 5377AD [0,1,0,0,0,1|2,0,0]=4 43 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 6900AJ [0,1,0,0,0,1|2,0,0]=4 44 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)S1 3719AC [0,1,0,0,0,1|2,0,0]=4 45 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 Y5411 [0,1,0,0,0,1|1,0,0]=3 46 B14R2.972 COC(=O)C1=CC2=CC=NC=C2N1 6857AB [0,1,0,0,0,1|1,0,0]=3 47 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 W3994 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 W8522 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 W8527 [0,1,0,0,0,1|1,0,0]=3 50 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 4229AA [0,1,0,0,0,1|1,0,0]=3 51 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 5556AC [0,1,0,0,0,1|1,0,0]=3 52 B14R2.4529 O=C(O)C1=CC2=NC(Cl)=CC=C2N1 2495AC [0,1,0,0,0,1|2,0,0]=4 53 B14R2.4529 O=C(O)C1=NC2=CC=C(Cl)N=C2N1 Y6673 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2N1 4752AA [0,1,0,0,0,1|1,0,0]=3 55 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H127 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 X8568 [0,1,0,0,0,1|1,0,0]=3 57 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=NC=N2 W8981 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.10637 COC(=O)C1=CC2=C(N1)C(Br)=CS2 X8942 [0,2,0,0,0,0|1,0,0]=3 59 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 Z5876 [0,0,1,0,1,0|1,0,1]=4 60 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 2200AL [0,0,1,0,0,1|1,0,0]=3 61 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 2079AC [0,0,1,0,0,1|2,0,0]=4 62 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 3449AD [0,0,1,0,0,1|2,0,0]=4 63 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 Y8104 [1,0,0,0,0,1|2,0,0]=4 64 B12R2.32 O=CC1=CC2=CC=CN=C2S1 Y9351 [1,0,0,0,0,1|2,0,0]=4 65 B12R2.32 O=CC1=CC2=NC=CC=C2N1 8910AA [1,0,0,0,0,1|2,0,0]=4 66 B12R2.32 OCC1=CC2=CC=NC=C2N1 8332AH [1,0,0,0,0,1|1,0,1]=4 67 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 9768AB [1,0,0,0,0,1|1,1,0]=4 68 B12R2.44 O=CC1=CC2=C(C=C1)SN=N2 5154AB [1,0,0,0,0,1|2,0,0]=4 69 B12R2.44 O=CC1=CC=C2N=COC2=C1 3572AC [1,0,0,0,0,1|1,1,0]=4 70 B12R2.44 O=CC1=CC=C2SC=CC2=C1 Y6790 [1,0,0,0,0,1|2,0,0]=4 71 B12R2.44 OCC1=CC2=C(C=C1)SC=N2 5155AB [1,0,0,0,0,1|1,0,1]=4 72 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 9649AH [0,0,0,0,0,2|1,0,1]=4 73 B14R2.781 O=C(O)C1=CC2=CN=CN=C2C=C1 0413AC [0,0,0,0,0,2|2,0,0]=4 74 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 V8914 [0,0,0,0,0,2|2,0,0]=4 75 B14R2.781 O=C(O)C1=CN=C2C=CN=CC2=C1 7452AC [0,0,0,0,0,2|2,0,0]=4 76 B14R2.781 O=C(O)C1=CN=C2N=CC=CC2=C1 1079AA [0,0,0,0,0,2|1,0,1]=4 77 B14R2.781 O=C(O)C1=CN=C2N=CC=NC2=C1 2280AF [0,0,0,0,0,2|1,0,1]=4 78 B14R2.1008 O=C(O)CC1=CC=C2NC=NC2=C1 8324AH [0,0,0,0,0,2|2,0,0]=4 79 B14R2.1008 O=C(O)CC1=CC=C2OC=NC2=C1 4789AD [0,0,0,0,0,2|1,1,0]=4