0 B11R1.280 CCC1=CC=C(O)C(C=O)=C1 JL-10I-001 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 O=CC1=CN=C(Cl)C(C=O)=C1 ACI-00991 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.30 N#CC1=CC(F)=CC=C1O ACI-02301 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.172 C=CC1=NC=CC(OC)=C1 ACI-05094 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.172 COC1=CC=NC(C#N)=C1 ACI-00467 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.172 N#CC1=CC=CC(C=O)=N1 ACI-04983 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.172 O=CC1=CC=CC(CBr)=C1 ACI-03882 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.176 CC1=CC(NN)=CC=C1Cl FD-10E-001 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.176 O=CC1=CC(Br)=C(Cl)N=C1 ACI-00868 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1I ACI-04693 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.78 CSC1=NC(C=O)=CC=C1C#N ACI-NI-00067 [0,1,0,0,0,0|2,1,0]=4 12 B12R2.44 NNC1=CC2=C(C=C1)OCO2 ACI-04727 [0,0,0,1,0,0|2,0,0]=3 13 B12R2.44 O=CC1=CC2=NON=C2C=C1 RH-08H-002 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.44 O=CC1=CC=C2OC=CC2=C1 ACI-05337 [0,0,0,1,0,0|1,0,1]=3 15 B12R2.44 O=CC1=CC=C2OCCC2=C1 ACI-01523 [0,0,0,1,0,0|1,0,0]=2 16 B12R2.44 O=CC1=CC=C2SC=CC2=C1 JM-04I-002 [0,0,0,1,0,0|1,1,1]=4 17 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.2 O=CC1=CC(Cl)=NC=C1 ACI-00432 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [2,0,0,0,0,0|1,1,0]=4 26 B9R1.69 NC1=C(O)C=CC(O)=C1 ACI-06428 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.189 COC1=CC=CC(\C=N\O)=C1 RJC-03I-001 [1,1,0,0,0,0|0,0,1]=3 29 B11R1.266 COC1=CC(C(=N)N)=CC=C1 ACI-NI-00259 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.266 COC1=CC(C(C)=O)=NC=C1 ACI-00419 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.266 COC1=CC(C(N)=S)=CC=C1 ACI-NI-00260 [1,1,0,0,0,0|0,1,0]=3 32 B11R1.266 COC1=CC=NC(C(=O)O)=C1 ACI-NI-00709 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.266 NC(=O)C1=CC(CCl)=CC=C1 ACI-00304 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.266 O=C(Cl)C1=CC=CC(CCl)=C1 ACI-01623 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.21 CC1=C(Br)C=CC(C(=N)N)=C1 ACI-03943 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.21 CC1=C(Br)C=CC(C(=O)Cl)=C1 ACI-03963 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 ACI-03954 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.21 CC1=C(C)C=C(C(=N)N)C=C1 ACI-03942 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1O ACI-00867 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.21 NC(=O)C1=CC(F)=C(Br)C=C1 ACI-02957 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 ACI-05401 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.21 NC(=O)C1=CC=C(Cl)C(Br)=C1 ACI-05400 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.21 O=C(Cl)C1=CC(Br)=C(Cl)C=C1 ACI-01748 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Br)C=C1 ACI-01750 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 ACI-03967 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 ACI-00122 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.21 O=C(O)C1=CC(Cl)=C(O)N=C1 ACI-01690 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.21 O=C(O)C1=CC=C(O)C(I)=C1 ACI-02694 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.278 CC1=C(Cl)C(F)=C(C=O)C=C1 ACI-05529 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.64 COC1=C(Br)SC=C1C(=O)Cl ACI-02010 [0,1,0,0,1,0|2,0,0]=4 53 B11R1.64 COC1=C(Br)SC=C1C(=O)O ACI-00352 [0,1,0,0,1,0|2,0,0]=4 54 B11R1.64 COC1=C(Br)SC=C1C(N)=O ACI-05418 [0,1,0,0,1,0|2,0,0]=4 55 B11R1.64 COC1=C(Cl)SC=C1C(=O)Cl ACI-00333 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.64 COC1=C(Cl)SC=C1C(=O)O ACI-00332 [0,1,0,0,1,0|2,0,0]=4 57 B11R1.64 COC1=C(Cl)SC=C1C(N)=O ACI-05363 [0,1,0,0,1,0|2,0,0]=4 58 B13R1.50 COC1=C(F)C=CC(S(=O)(=O)Cl)=C1 ACI-03875 [0,2,0,0,0,0|2,0,0]=4 59 B13R1.50 COC1=CC(S(=O)(=O)Cl)=CC=C1Cl ACI-04097 [0,2,0,0,0,0|2,0,0]=4 60 B13R1.298 COC1=CC([N+](=O)[O-])=CC(Br)=C1O ACI-04788 [0,2,0,0,0,0|1,0,0]=3 61 B13R1.651 COC1=CC(C(=O)O)=C(Br)C=C1C ACI-05599 [0,2,0,0,0,0|1,0,0]=3 62 B13R1.651 COC1=CC(C(=O)O)=C(Br)C=C1Cl ACI-05602 [0,2,0,0,0,0|1,0,0]=3 63 B13R1.651 COC1=CC(C(=O)O)=C(Br)C=C1F ACI-05600 [0,2,0,0,0,0|1,0,0]=3 64 B13R1.2431 COC(=O)C1=CC(C#N)=CC=C1O ACI-05685 [0,2,0,0,0,0|1,0,1]=4 65 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 ACI-05425 [0,1,0,1,0,0|0,0,0]=2 66 B13R2.430 NC(=O)C1=CC=C2OCCC2=C1 ACI-05408 [0,1,0,1,0,0|1,0,0]=3 67 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OCO2 ACI-02355 [0,1,0,1,0,0|0,0,0]=2 68 B13R2.430 O=C(Cl)C1=CC=C2OCCC2=C1 SB-05G-003 [0,1,0,1,0,0|1,0,0]=3 69 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 ACI-05338 [0,1,0,1,0,0|1,0,1]=4 70 B13R2.57 N#CC1=CC=C2OCCOC2=C1 JM-11A-001 [0,1,0,1,0,0|1,0,1]=4 71 B13R2.449 O=C=NC1=CC2=C(C=C1)OCO2 SB-09E-002 [0,1,0,1,0,0|0,0,1]=3 72 B9R1.14 COC1=C(C=O)SC=C1 ACI-05570 [1,0,0,0,1,0|1,0,0]=3 73 B9R1.14 COC1=CSC=C1C=O ACI-01992 [1,0,0,0,1,0|1,0,0]=3