0 B14R2.781 N=C(N)C1=CC2=CC=CC=C2OC1 ACI-01775 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.781 NC(=O)C1=CC2=CC=CC=C2OC1 ACI-05405 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.781 NC(=O)C1=NC2=CC=CC=C2N=C1 ACI-05373 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.781 NC(=S)C1=CC2=CC=CC=C2OC1 ACI-01776 [0,0,0,0,0,0|2,1,1]=4 4 B14R2.781 O=C(Cl)C1=CC2=CC=CC=C2OC1 ACI-01773 [0,0,0,0,0,0|2,0,1]=3 5 B14R2.781 O=C(Cl)C1=CN=C2C=CC=CC2=N1 JM-02K-002 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 JM-05I-005 [0,0,0,0,0,0|2,0,1]=3 7 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 WS-04C-005 [0,0,0,0,0,0|3,0,0]=3 8 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=C1 WS-04K-006 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 ACI-03793 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 ACI-05181 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 ACI-05343 [1,0,0,0,0,0|1,0,0]=2 12 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 SB-05K-001 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.57 OCC1=CC2=CC=CN=C2C=C1 ACI-05342 [1,0,0,0,0,0|1,0,2]=4 14 B15R2.984 CC(=O)C1=NC2=CC=CC=C2N=C1C ACI-04471 [0,1,0,0,0,0|2,0,0]=3 15 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)O FD-10G-001 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.984 NC(=O)C1=C(N)N=C2C=CC=CC2=C1 ACI-00952 [0,1,0,0,0,0|2,0,0]=3 17 B15R2.1601 COC(=O)C1=CC2=CC=CN=C2C=C1 ACI-00648 [0,1,0,0,0,0|1,0,0]=2 18 B15R2.1601 COC(=O)C1=CC=C2N=CC=NC2=C1 WS-04C-004 [0,1,0,0,0,0|2,0,0]=3 19 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2N=C1 ACI-01677 [0,1,0,0,0,0|2,0,0]=3 20 B15R2.1601 NCC(O)C1=CC2=CC=CC=C2C=C1 ACI-05045 [0,1,0,0,0,0|0,0,2]=3 21 B15R2.1601 NNC(=O)C1=CC2=NC=CN=C2C=C1 ACI-01736 [0,1,0,0,0,0|3,0,0]=4 22 B15R2.7180 O=[N+]([O-])C1=CC=C2C=C(Br)C=NC2=C1 ACI-06629 [0,1,0,0,0,0|3,0,0]=4 23 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(=O)N1 ACI-05040 [0,1,0,0,0,0|3,0,0]=4 24 B15R2.61353 O=C(O)C1=CC2=C(C=C1)N=CNC2=O ACI-05346 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O ACI-05917 [0,0,1,0,0,0|2,0,1]=4 26 B13R1.90 N#CC1=CC=CC=C1\C=C\C(=O)O ACI-01785 [0,0,1,0,0,0|2,0,1]=4 27 B13R2.72 NC(=O)C1=CSC2=CC=CC=C21 ACI-05395 [0,0,0,0,1,0|2,0,0]=3 28 B13R2.72 O=C(Cl)C1=CSC2=CC=CC=C21 JM-05D-003 [0,0,0,0,1,0|2,0,0]=3 29 B13R2.72 O=C(Cl)C1=NNC2=CC=CC=C21 JL-12F-002 [0,0,0,0,1,0|3,0,0]=4 30 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 JM-05H-002 [0,0,0,0,1,0|3,0,0]=4 31 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 RH-07G-001 [0,0,0,0,1,0|2,0,0]=3 32 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 JM-05C-001 [0,0,0,0,1,0|2,0,0]=3 33 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=N2 ACI-02678 [0,0,0,0,1,0|2,0,0]=3 34 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 ACI-00355 [0,0,0,0,1,0|3,0,0]=4 35 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 ACI-00138 [0,0,0,0,1,0|2,0,0]=3 36 B13R2.430 O=C(O)C1=CC2=C(C=N1)SC=C2 ACI-05332 [0,0,0,0,1,0|3,0,0]=4 37 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 ACI-05338 [0,0,0,0,1,0|2,0,0]=3 38 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 ACI-01505 [0,0,0,0,1,0|1,0,0]=2 39 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 ACI-01123 [0,0,0,0,1,0|0,0,3]=4 40 B13R2.435 N=C(N)C1=CC2=C(C=CC=C2)O1 ACI-01520 [0,0,0,0,1,0|3,0,0]=4 41 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 ACI-00957 [0,0,0,0,1,0|2,0,0]=3 42 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)S1 ACI-02074 [0,0,0,0,1,0|3,0,0]=4 43 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 ACI-04808 [0,0,0,0,1,0|3,0,0]=4 44 B15R2.1668 NC(=O)CC1=CC2=CC=CC=C2C=C1 ACI-05428 [0,0,0,0,0,1|1,0,0]=2 45 B15R2.1668 O=C(Cl)CC1=CC2=CC=CC=C2C=C1 SB-08C-001 [0,0,0,0,0,1|1,0,0]=2 46 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 ACI-02411 [0,0,0,0,0,1|1,0,0]=2 47 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl ACI-00859 [1,0,1,0,0,0|1,0,0]=3 48 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O ACI-05912 [1,0,1,0,0,0|1,0,1]=4 49 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F ACI-05913 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 ACI-01543 [1,0,1,0,0,0|1,0,0]=3 51 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 ACI-03857 [1,0,1,0,0,0|2,0,0]=4 52 B14R2.92 O=CC1=COC2=CC=CC=C2C1=O ACI-00322 [1,1,0,0,0,0|1,0,0]=3 53 B14R2.1128 O=CC1=C(Cl)N=C2C=CC=CC2=C1 ACI-00811 [1,1,0,0,0,0|1,0,0]=3 54 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1I RH-09K-003 [1,1,0,0,0,0|1,0,0]=3 55 B14R2.95 COC(=O)C1=COC2=C1C=CC=C2 ACI-01511 [0,1,0,0,1,0|1,0,0]=3 56 B14R2.5816 O=C(O)C1=CSC2=C1C=C(F)C=C2 ACI-01886 [0,1,0,0,1,0|2,0,0]=4 57 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 SB-09E-001 [0,1,0,0,1,0|2,0,0]=4 58 B14R2.966 COC(=O)C1=CC2=C(C=CS2)C=N1 JL-14L-002 [0,1,0,0,1,0|2,0,0]=4 59 B14R2.966 COC(=O)C1=CC2=C(C=N1)SC=C2 ACI-05331 [0,1,0,0,1,0|2,0,0]=4 60 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)N=CN2 ACI-02679 [0,1,0,0,1,0|2,0,0]=4 61 B14R2.5719 CC(=O)C1=CC2=C(C=C1)N(C)C=N2 ACI-02676 [0,1,0,0,1,0|2,0,0]=4 62 B14R2.5719 CN1C=CC2=C1C=CC(C(=O)O)=C2 ACI-02304 [0,1,0,0,1,0|2,0,0]=4 63 B14R2.24358 CC1=COC2=CC=C(C(=O)O)C=C12 ACI-05330 [0,1,0,0,1,0|2,0,0]=4 64 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 FD-09F-001 [0,1,0,0,1,0|2,0,0]=4 65 B14R2.450 NC(=O)C1=C(Cl)C2=CC=CC=C2S1 ACI-05439 [0,1,0,0,1,0|2,0,0]=4 66 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 ACI-02697 [0,1,0,0,1,0|2,0,0]=4 67 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 ACI-02696 [0,1,0,0,1,0|2,0,0]=4 68 B14R2.450 O=C(O)C1=C(O)C2=CC=CC=C2S1 ACI-04216 [0,1,0,0,1,0|2,0,0]=4 69 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)S1 ACI-02073 [0,1,0,0,1,0|2,0,0]=4 70 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 ACI-02184 [0,1,0,0,1,0|1,0,0]=3 71 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)S1 ACI-00374 [0,1,0,0,1,0|2,0,0]=4 72 B14R2.4529 CC1=CC2=C(C=C1)SC(C(=O)O)=C2 ACI-02071 [0,1,0,0,1,0|2,0,0]=4 73 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 ACI-NI-00494 [0,1,0,0,1,0|2,0,0]=4 74 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 ACI-04989 [0,1,0,0,1,0|2,0,0]=4 75 B14R2.4529 CC1=CC=C2OC(C(N)=O)=CC2=C1 ACI-04990 [0,1,0,0,1,0|2,0,0]=4 76 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 ACI-01066 [0,1,0,0,1,0|2,0,0]=4 77 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)S1 ACI-02070 [0,1,0,0,1,0|2,0,0]=4 78 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 ACI-01070 [0,1,0,0,1,0|2,0,0]=4 79 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 ACI-02094 [0,1,0,0,1,0|2,0,0]=4 80 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2S1 ACI-05318 [0,1,0,0,1,0|2,0,0]=4 81 B14R2.4529 OC(=O)C1=CC2=CC=C(Cl)C=C2S1 ACI-05316 [0,1,0,0,1,0|2,0,0]=4 82 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 ACI-NI-00496 [0,1,0,0,1,0|2,0,0]=4 83 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 ACI-01078 [0,1,0,0,1,0|2,0,0]=4 84 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2S1 RH-06B-002 [0,1,0,0,1,0|2,0,0]=4 85 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 ACI-02088 [0,1,0,0,1,0|2,0,0]=4 86 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 ACI-02092 [0,1,0,0,1,0|2,0,0]=4 87 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 ACI-02093 [0,1,0,0,1,0|2,0,0]=4 88 B16R2.23372 CC(=O)C1=C(O)C2=CC=CC=C2NC1=O ACI-05088 [0,2,0,0,0,0|1,0,0]=3 89 B16R2.23521 CC(=O)C1=NC2=CC(C)=CC=C2N=C1C ACI-04487 [0,2,0,0,0,0|2,0,0]=4 90 B16R2.33941 CC1=NC2=CC=CC=C2N=C1C(=O)CBr ACI-04501 [0,2,0,0,0,0|2,0,0]=4 91 B16R2.33941 COC(=O)C1=NC2=CC=CC=C2N=C1C ACI-04477 [0,2,0,0,0,0|2,0,0]=4 92 B16R2.1212 COC(=O)C1=CC2=C(C=C1)N=CNC2=O ACI-05347 [0,2,0,0,0,0|2,0,0]=4 93 B12R2.1 O=CC1=COC2=C1C=CC=C2 ACI-01517 [1,0,0,0,1,0|1,0,0]=3 94 B12R2.1 O=CC1=CSC2=C1C=CC=C2 ACI-00483 [1,0,0,0,1,0|1,0,0]=3 95 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 ACI-02595 [1,0,0,0,1,0|1,0,0]=3 96 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 ACI-00894 [1,0,0,0,1,0|1,0,0]=3 97 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 ACI-00958 [1,0,0,0,1,0|1,0,0]=3 98 B12R2.32 O=CC1=CC2=C(N=CC=C2)S1 ACI-02151 [1,0,0,0,1,0|2,0,0]=4 99 B12R2.44 COC1=CC2=C(C=C1)OC=C2 ACI-05786 [1,0,0,0,1,0|2,0,0]=4 100 B12R2.44 O=CC1=CC=C2OC=CC2=C1 ACI-05337 [1,0,0,0,1,0|1,0,0]=3 101 B12R2.44 O=CC1=CC=C2SC=CC2=C1 JM-04I-002 [1,0,0,0,1,0|1,0,0]=3