0 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 ACI-00954 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.1 BrC1=CSC2=C1C=CC=C2 ACI-00699 [1,0,0,0,0,0|3,0,0]=4 3 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [1,0,0,0,0,0|2,0,1]=4 6 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 ACI-00930 [1,0,0,0,0,0|1,0,1]=3 9 B11R2.10 NC1=NC2=CC=CN=C2N1 ACI-04394 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [1,0,0,0,0,0|1,1,0]=3 11 B11R2.10 SC1=NC2=C(C=CC=C2)S1 ACI-01509 [1,0,0,0,0,0|1,1,1]=4 12 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 ACI-00806 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 ACI-00929 [0,1,0,0,0,0|1,0,1]=3 14 B13R2.45 CN1C(CCl)=NC2=C1C=CC=C2 ACI-00931 [0,1,0,0,0,0|2,0,1]=4 15 B13R2.45 CN1C(CO)=NC2=C1C=CC=C2 ACI-00932 [0,1,0,0,0,0|1,0,2]=4 16 B13R2.135 O=CC1=C(S)NC2=C1C=CC=C2 ACI-00936 [0,1,0,0,0,0|1,1,1]=4 17 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 ACI-01570 [0,0,1,0,0,0|1,1,0]=3 18 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,0,1,0,0,0|2,0,1]=4 19 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,0,1,0,0,0|2,0,0]=3 20 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,0,1,0,0,0|2,0,0]=3 21 B13R2.32 CN1C(=O)COC2=CC=CC=C21 ACI-02214 [0,0,0,0,0,1|2,0,0]=3 22 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 ACI-02207 [0,0,0,0,0,1|2,0,0]=3 23 B13R2.328 CN1CC(=O)OC2=CC=CC=C21 ACI-02217 [0,0,0,0,0,1|2,0,0]=3 24 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O ACI-01114 [0,0,0,0,0,1|2,0,0]=3 25 B13R2.369 CN1CC2=CC=CC=C2OC1=O ACI-02212 [0,0,0,0,0,1|2,0,0]=3 26 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 ACI-01325 [0,0,0,0,0,1|1,0,2]=4 27 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [1,0,1,0,0,0|1,0,0]=3 28 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,0,1,0,0,0|1,1,0]=4 29 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [1,0,1,0,0,0|1,0,1]=4 30 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [0,1,1,0,0,0|2,0,0]=4 34 B12R1.49 O=C(CBr)NC1=CC=C(Cl)C=C1 WS-04E-003 [0,1,1,0,0,0|2,0,0]=4 35 B12R2.1 N#CC1=CNC2=C1C=CC=C2 ACI-00379 [1,1,0,0,0,0|2,0,0]=4 36 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [1,1,0,0,0,0|2,0,0]=4 37 B12R2.203 CN1C=CC2=CC=CC(Br)=C21 RH-08K-005 [1,1,0,0,0,0|2,0,0]=4 38 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 JM-07I-001 [1,1,0,0,0,0|2,0,0]=4 39 B12R2.32 COC1=NC2=CC=CC=C2N1 ACI-06429 [1,1,0,0,0,0|0,0,2]=4 40 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 ACI-NI-00442 [1,1,0,0,0,0|1,0,1]=4 41 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 ACI-00229 [1,1,0,0,0,0|1,0,1]=4 42 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 ACI-02595 [1,1,0,0,0,0|1,0,0]=3 43 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 ACI-00894 [1,1,0,0,0,0|2,0,0]=4 44 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 ACI-00958 [1,1,0,0,0,0|2,0,0]=4 45 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 ACI-02594 [1,1,0,0,0,0|1,0,1]=4 46 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 ACI-05945 [1,1,0,0,0,0|1,0,0]=3 47 B12R2.202 NC1=CC=CC2=C1NC(=O)N2 ACI-04839 [1,1,0,0,0,0|0,0,0]=2 48 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 ACI-02618 [1,1,0,0,0,0|1,0,0]=3 49 B14R2.4513 CN1C(=O)CCC2=C1C=C(F)C=C2 ACI-06359 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.8038 CN1C(=O)CCC2=C1C=CC=C2Cl ACI-06370 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.8038 CN1C(=O)CCC2=C1C=CC=C2F ACI-06366 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.8045 O=C1C=C(O)C2=C(N1)C(F)=CC=C2 ACI-04869 [0,1,0,0,0,1|1,0,0]=3 53 B14R2.8189 O=C1NC2=CC=CC=C2S(=O)(=O)N1 JM-16C-002 [0,1,0,0,0,1|1,0,1]=4 54 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)N1 ACI-04871 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.8239 NC1=CC=C2CC(Cl)C(=O)NC2=C1 ACI-NI-00704 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 FD-09F-001 [0,2,0,0,0,0|2,0,0]=4 57 B14R2.450 O=C(O)C1=C(O)C2=CC=CC=C2S1 ACI-04216 [0,2,0,0,0,0|2,0,0]=4 58 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,0,1,1,0,0|2,0,0]=4 59 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,0,1,1,0,0|2,0,0]=4