0 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 ACI-01372 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 C=CCNC1=CC=CN=C1 ACI-02637 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 FD-09B-003 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 ACI-01232 [0,1,0,0,0,0|1,0,2]=4 13 B12R1.21 CC1=CC=C(OCC(=N)N)C=C1 ACI-05110 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 ACI-05910 [0,1,0,0,0,0|0,0,2]=3 15 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 ACI-05156 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 ACI-05103 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 ACI-05149 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.21 N=C(N)SCC1=CC=C(Br)C=C1 WS-05C-004 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 ACI-05916 [0,1,0,0,0,0|0,0,2]=3 20 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 ACI-05909 [0,1,0,0,0,0|0,0,2]=3 21 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)N=C1 ACI-04774 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 ACI-05915 [0,1,0,0,0,0|0,0,2]=3 23 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 ACI-04772 [0,1,0,0,0,0|1,0,2]=4 24 B12R1.27 N\C(COC1=CC=CC=C1)=N/O FD-11E-002 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [0,1,0,0,0,0|0,0,1]=2 26 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 ACI-03857 [0,1,0,0,0,0|0,0,2]=3 27 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [0,1,0,0,0,0|0,0,0]=1 28 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 ACI-01419 [0,1,0,0,0,0|1,0,0]=2 29 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl ACI-00859 [0,1,0,0,0,0|1,0,2]=4 30 B12R1.125 CC1=C(CSC(=N)N)C=CC=C1 WS-05G-009 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.125 CC1=C(OCC(=N)N)C=CC=C1 ACI-05104 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O ACI-05912 [0,1,0,0,0,0|0,0,2]=3 33 B12R1.125 N=C(/N)COC1=CC=CC=C1Cl ACI-05097 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.125 N=C(N)COC1=C(Br)C=CC=C1 ACI-05150 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.125 N=C(N)COC1=C(F)C=CC=C1 ACI-05143 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F ACI-05913 [0,1,0,0,0,0|0,0,2]=3 37 B12R1.226 CC(=O)\C=C\C1=CC(Br)=CC=C1 ACI-00860 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.226 CC(=O)\C=C\C1=CC(Cl)=CC=C1 ACI-01676 [0,1,0,0,0,0|1,0,2]=4 39 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 ACI-05911 [0,1,0,0,0,0|0,0,2]=3 40 B12R1.226 CC1=CC=CC(OCC(=N)N)=C1 ACI-05109 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.226 N=C(/N)COC1=CC=CC(Cl)=C1 ACI-05098 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.226 N=C(N)COC1=CC(Br)=CC=C1 ACI-05155 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.226 N=C(N)COC1=CC(F)=CC=C1 ACI-05144 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 ACI-01604 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 ACI-05908 [0,1,0,0,0,0|0,0,2]=3 46 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 ACI-05914 [0,1,0,0,0,0|0,0,2]=3 47 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,0,0,1,0,0|1,0,0]=2 48 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,0,0,1,0,0|2,0,0]=3 49 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,0,0,1,0,0|1,0,0]=2 50 B12R2.24 OC1=CN=C2C=CC=CC2=N1 ACI-01320 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [0,0,0,0,1,0|3,0,0]=4 52 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [0,0,0,0,1,0|1,1,0]=3 53 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [0,0,0,0,1,0|3,0,0]=4 54 B10R1.66 O=C(O)CCC1=CNC=N1 ACI-01113 [0,0,0,0,1,0|2,0,0]=3 55 B10R1.66 O=C(O)CCC1=CNC=N1 ACI-02713 [0,0,0,0,1,0|2,0,0]=3 56 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 ACI-01543 [0,0,0,0,0,1|1,0,2]=4 57 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.24 CC1=CC=CC(CCCO)=N1 ACI-01649 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.28 N#CCOCC1=CC=CC=C1 ACI-04838 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05254 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05268 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.28 OCCOCC1=CC=CC=C1 ACI-15284 [1,1,0,0,0,0|0,0,1]=3 64 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 ACI-01700 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.20 N=C(N)CC1=CC=C(F)C=C1 ACI-01698 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 RH-08K-004 [0,1,0,0,1,0|1,0,0]=3 70 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 ACI-NI-00199 [0,1,0,0,1,0|1,1,0]=4 71 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 ACI-05800 [0,1,0,0,1,0|1,0,0]=3 72 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,1,0,0,1,0|1,0,0]=3 73 B11R1.86 CC1=CC=CC=C1CC(=O)Cl ACI-05798 [0,1,0,0,1,0|1,0,0]=3 74 B11R1.86 NC(=O)CC1=C(I)C=CC=C1 ACI-05460 [0,1,0,0,1,0|1,0,0]=3 75 B11R1.86 NC(=S)CC1=CC=CC=C1Br ACI-NI-00198 [0,1,0,0,1,0|1,1,0]=4 76 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 ACI-05793 [0,1,0,0,1,0|1,0,0]=3 77 B11R1.86 O=C(Cl)CC1=C(I)C=CC=C1 ACI-05161 [0,1,0,0,1,0|1,0,0]=3 78 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 ACI-01701 [0,1,0,0,1,0|2,0,0]=4 79 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 ACI-05461 [0,1,0,0,1,0|1,0,0]=3 80 B11R1.157 O=C(Cl)CC1=CC=CC(Br)=C1 ACI-05162 [0,1,0,0,1,0|1,0,0]=3 81 B11R1.157 O=C(Cl)CC1=CC=CC(Cl)=C1 ACI-05795 [0,1,0,0,1,0|1,0,0]=3 82 B11R1.157 O=C(Cl)CC1=CC=CC(F)=C1 ACI-05799 [0,1,0,0,1,0|1,0,0]=3 83 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 ACI-04356 [0,1,0,0,0,1|0,0,0]=2 84 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 FD-11A-001 [0,1,0,0,0,1|0,0,0]=2 85 B13R1.14 CC1=CC=C(OC\C(N)=N\O)C=C1 ACI-05111 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 ACI-05249 [0,2,0,0,0,0|0,0,0]=2 87 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 JM-14I-001 [0,2,0,0,0,0|1,0,0]=3 88 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 ACI-04770 [0,2,0,0,0,0|0,0,2]=4 89 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 ACI-04771 [0,2,0,0,0,0|0,0,2]=4 90 B13R1.14 N\C(COC1=CC=C(Br)C=C1)=N/O ACI-05157 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.14 N\C(COC1=CC=C(Cl)C=C1)=N/O ACI-05102 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.14 N\C(COC1=CC=C(F)C=C1)=N/O ACI-05148 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)N=C1 ACI-01418 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1F ACI-03934 [0,2,0,0,0,0|0,0,0]=2 95 B13R1.164 O=C(O)\C=C\C1=CC=C(O)C=C1F ACI-03933 [0,2,0,0,0,0|0,0,2]=4 96 B13R1.15 CC1=CC=CC(OC\C(N)=N\O)=C1 ACI-05108 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.15 N\C(COC1=CC(Br)=CC=C1)=N/O ACI-05154 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.15 N\C(COC1=CC(F)=CC=C1)=N/O ACI-05145 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.15 N\C(COC1=CC=CC(Cl)=C1)=N/O ACI-05099 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 ACI-01784 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.528 CC1=C(OC\C(N)=N\O)C=CC=C1 ACI-05105 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.528 N\C(COC1=C(Br)C=CC=C1)=N/O ACI-05151 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.528 N\C(COC1=C(F)C=CC=C1)=N/O ACI-05142 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.528 N\C(COC1=CC=CC=C1Cl)=N/O ACI-02066 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O ACI-05917 [0,2,0,0,0,0|0,0,2]=4 106 B13R1.90 N#CC1=CC=CC=C1\C=C\C(=O)O ACI-01785 [0,2,0,0,0,0|0,0,2]=4 107 B13R1.893 O=C(O)CCC1=C(Br)C=CC(F)=C1 ACI-02205 [0,2,0,0,0,0|0,0,0]=2 108 B13R1.643 N#CC1=CC(CCC(=O)O)=CC=N1 ACI-05087 [0,2,0,0,0,0|1,0,0]=3 109 B13R1.3420 O=C(O)\C=C\C1=CC(F)=CC(F)=C1 ACI-05920 [0,2,0,0,0,0|0,0,2]=4 110 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [1,0,0,1,0,0|2,0,0]=4 111 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [1,0,0,1,0,0|2,0,0]=4 112 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [1,0,0,1,0,0|1,0,1]=4 113 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [0,0,0,1,1,0|1,1,0]=4 114 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 RH-07G-001 [0,0,0,1,0,1|0,0,2]=4 115 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 JM-05C-001 [0,0,0,1,0,1|0,0,2]=4 116 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 ACI-06358 [0,1,0,1,0,0|1,0,0]=3 117 B13R2.155 O=C1COC2=CC=C(O)C=C2N1 JM-08B-002 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.3791 NC1=CC=C2CCS(=O)(=O)C2=C1 ACI-05778 [0,1,0,1,0,0|1,0,1]=4 119 B13R2.32 CN1C(=O)COC2=CC=CC=C21 ACI-02214 [0,1,0,1,0,0|2,0,0]=4 120 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 ACI-02207 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.57 OCC1=CC2=CC=CC=C2OC1 ACI-01778 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O ACI-01114 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.369 CN1CC2=CC=CC=C2OC1=O ACI-02212 [0,1,0,1,0,0|1,0,0]=3 124 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 ACI-01123 [0,1,0,1,0,0|1,0,0]=3 125 B13R2.435 NC(=O)C1CC2=CC=CC=C2O1 ACI-05381 [0,1,0,1,0,0|1,0,0]=3 126 B13R2.435 O=C(Cl)C1CC2=CC=CC=C2O1 ACI-01144 [0,1,0,1,0,0|1,0,0]=3 127 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 ACI-00957 [0,1,0,1,0,0|0,0,2]=4 128 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 ACI-01143 [0,1,0,1,0,0|0,0,0]=2 129 B13R2.328 CN1CC(=O)OC2=CC=CC=C21 ACI-02217 [0,1,0,1,0,0|1,0,0]=3 130 B13R2.5179 O=C1CCC2=C(C=CC=C2Cl)N1 ACI-06369 [0,1,0,1,0,0|1,0,0]=3 131 B13R2.5179 O=C1CCC2=C(C=CC=C2F)N1 ACI-06365 [0,1,0,1,0,0|1,0,0]=3