0 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.53 COC1=C(C(=N)N)C=CC=C1 ACI-NI-00256 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.53 COC1=C(C(N)=S)C=CC=C1 ACI-NI-00257 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.53 COC1=CC=CC=C1C(C)=O ACI-05712 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.87 OC1=NC=CC=C1C(F)(F)F ACI-NI-00187 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 ACI-06402 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.167 O=[N+]([O-])C1=C(O)C=CC(O)=C1 ACI-06427a [0,1,0,0,0,0|3,0,0]=4 22 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [0,1,0,0,0,0|2,0,1]=4 25 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,0,0,1,0,0|0,0,2]=3 26 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,0,0,1,0,0|0,1,2]=4 27 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,0,0,1,0,0|2,0,0]=3 28 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.41 CC(C)C1=NC=CN1C RH-08B-001 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,0,0,0,0,1|2,0,1]=4 31 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.5 OC1=CC=CN=C1F ACI-01438 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 ACI-05159 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.2 COC1=CC=CC(N)=C1N WS-05L-004 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.2 FC1=C(I)C=CC=C1CBr ACI-05616 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.2 FC1=CC=CC(CBr)=C1Cl ACI-04692 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.2 OCC1=C(Cl)C(F)=CC=C1 ACI-04691 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.2 OCC1=C(F)C(I)=CC=C1 ACI-05609 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.30 CC1=C(CO)C=C(I)C=C1 ACI-05606 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.30 CC1=CC=C(I)C=C1CBr ACI-05613 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.30 ClC1=CC=C(I)C=C1CBr ACI-05612 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.30 N#CC1=CC(F)=CC=C1O ACI-02301 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.30 OCC1=C(Cl)C=CC(I)=C1 ACI-05605 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.30 OCC1=C(F)C=CC(I)=C1 ACI-05604 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1Br ACI-04026 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1Cl ACI-04025 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1F ACI-04021 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.124 CC1=C(C(=O)C(C)Br)C=CC=C1 ACI-04029 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.1009 CC(C)SC1=C(Cl)C=CC=C1N RH-05K-064 [0,1,0,0,0,1|1,0,0]=3 56 B12R1.77 CCC(=O)C1=CC=CC=C1OC ACI-04020 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.126 NC1=CC(O)=C(C(F)(F)F)C=C1 ACI-02017 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.3441 COC(=O)C1=C(F)C=CC=C1O ACI-05666 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O ACI-05667 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.24 COC(=O)C1=C(O)C(N)=CC=C1 ACI-04221 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1O ACI-05675 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.24 COC(=O)C1=CC=CC(F)=C1O ACI-05676 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.24 COC(=O)C1=CC=CC(O)=C1O ACI-05677 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 SB-12E-001 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1O ACI-05682 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O ACI-05673 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O ACI-05670 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.1703 COC(=O)C1=CC=C(O)C=C1O ACI-05671 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.354 COC(=O)C1=CC(C)=CC=C1O ACI-05681 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O ACI-05678 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.354 COC(=O)C1=CC(I)=CC=C1O ACI-05680 [0,2,0,0,0,0|1,0,1]=4 72 B10R1.31 CC(C)C1=NOC(C=O)=C1 JM-08E-005 [0,0,1,1,0,0|2,0,0]=4 73 B12R2.1081 CN1CCOC2=CC=CC=C21 ACI-02680 [0,1,0,1,0,0|1,0,0]=3 74 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [0,1,0,1,0,0|0,0,1]=3 75 B12R2.2403 CC1(C)CNC2=CC=CC=C21 ACI-02737 [0,1,0,1,0,0|1,0,0]=3 76 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 JM-09H-001 [0,1,0,1,0,0|2,0,0]=4 77 B12R2.1 ClCC1=COC2=CC=CC=C12 ACI-05949 [0,1,0,1,0,0|0,0,2]=4 78 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [0,1,0,1,0,0|0,0,2]=4