0 B13R1.450 CCOC(=O)C1=CC(Cl)=NC(Cl)=C1 ACI-01680 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.17 CCOC(=N)C1=CC(Br)=CC=C1 SB-10F-002 [1,0,0,0,0,0|2,1,0]=4 2 B12R1.17 CCOC(=N)C1=CC(Cl)=CC=C1 ACI-01057 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 ACI-02048 [1,0,0,0,0,0|2,1,0]=4 4 B12R1.17 CCOC(=O)C1=CC(N)=CN=C1 ACI-00473 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.17 CCOC(=O)C1=CC=CC(N)=N1 ACI-04970 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.17 CCOC(=O)C1=CN=NC(Cl)=C1 ACI-04741 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 ACI-01380 [1,0,0,0,0,0|2,1,0]=4 8 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 ACI-01754 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.358 NNC(=O)C1=CC(Cl)=NC(Cl)=C1 RH-04L-050 [1,0,0,0,0,0|2,0,0]=3 10 B14R1.18985 CCOC(=O)C1=NC(C)=NC(Cl)=C1C ACI-00233 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.313 CCOC(=O)C1=C(C)N=C(Br)S1 ACI-00580 [0,0,0,0,1,0|2,1,0]=4 12 B12R1.313 CCOC(=O)C1=C(C)N=C(C)S1 ACI-00247 [0,0,0,0,1,0|3,0,0]=4 13 B12R1.313 CCOC(=O)C1=C(C)N=C(N)O1 WS-05I-029 [0,0,0,0,1,0|3,0,0]=4 14 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 ACI-00311 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 ACI-00972 [0,0,0,0,1,0|3,0,0]=4 16 B12R1.313 CCOC(=O)C1=CC(C)=NN1C ACI-NI-00043 [0,0,0,0,1,0|3,0,0]=4 17 B12R1.313 CCOC(=O)C1=CN(C)N=C1O ACI-01048 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.23 NCC(=O)C1=CC(Cl)=CC=C1 SB-05H-089 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 ACI-01709 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 ACI-NI-00398 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.74 NC(=O)C1=CC(Cl)=NC(Cl)=C1 ACI-05360 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.74 O=C(Cl)C1=CC(Cl)=NC(Cl)=C1 ACI-00299 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 ACI-01834 [2,0,0,0,0,0|0,0,0]=2 24 B13R1.12 CCOC(=O)C1=C(C)C(I)=CC=C1 ACI-01769 [1,1,0,0,0,0|1,1,0]=4 25 B13R1.12 CCOC(=O)C1=C(O)C(O)=CC=C1 ACI-04219 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.12 CCOC(=O)C1=CC=CC(Cl)=C1Cl ACI-01764 [1,1,0,0,0,0|1,0,0]=3 27 B13R1.446 CCOC(=O)C1=C(C)C=CC(Br)=C1 ACI-02590 [1,1,0,0,0,0|1,1,0]=4 28 B13R1.446 CCOC(=O)C1=C(Cl)N=NC(Cl)=C1 ACI-04739 [1,1,0,0,0,0|1,0,0]=3 29 B13R1.446 CCOC(=O)C1=CC(F)=CC=C1F ACI-01760 [1,1,0,0,0,0|1,1,0]=4 30 B13R1.460 CCOC(=O)C1=CC(NN)=CC=C1 ACI-04208 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.466 CCOC(=O)C1=CC(Br)=C(Cl)C=C1 ACI-01747 [1,1,0,0,0,0|1,1,0]=4 32 B13R1.466 CCOC(=O)C1=CC(Cl)=C(Br)C=C1 ACI-01751 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.466 CCOC(=O)C1=CC(Cl)=C(N)C=C1 ACI-04607 [1,1,0,0,0,0|1,0,0]=3 34 B15R1.36507 CCOC(=O)C1=C(C#N)C(Cl)=NC(C)=C1 ACI-NI-00068 [0,2,0,0,0,0|1,0,0]=3 35 B15R1.36507 CCOC(=O)C1=C(C#N)C(O)=NC(C)=C1 ACI-00272 [0,2,0,0,0,0|2,0,0]=4 36 B15R1.36507 CCOC(=O)C1=C(C#N)C(S)=NC(C)=C1 ACI-00271 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.15 CCOC(=O)C1=CC(C)=NN1 ACI-00406 [1,0,0,0,1,0|2,0,0]=4 38 B11R1.15 CCOC(=O)C1=CC(C)=NO1 RH-06C-003 [1,0,0,0,1,0|2,0,0]=4 39 B11R1.15 CCOC(=O)C1=CN=C(N)S1 ACI-00690 [1,0,0,0,1,0|2,0,0]=4 40 B11R1.15 CCOC(=O)C1=CN=C(N)S1 ACI-00691 [1,0,0,0,1,0|2,0,0]=4 41 B11R1.199 CCOC(=O)C1=C(C)N=CS1 ACI-00581 [1,0,0,0,1,0|2,0,0]=4 42 B11R1.199 CCOC(=O)C1=CNN=C1I ACI-03802 [1,0,0,0,1,0|1,1,0]=4 43 B11R1.199 CCOC(=O)C1=CNN=C1O ACI-01049 [1,0,0,0,1,0|2,0,0]=4 44 B11R1.199 CCOC(=O)C1=CSN=C1C ACI-00940 [1,0,0,0,1,0|2,0,0]=4 45 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(Cl)N=C1 ACI-01833 [0,0,0,0,1,1|1,0,0]=3 46 B13R1.1511 CCOC(=O)C1=C(N)C=C(Cl)N=C1 FD-10K-004 [0,0,0,0,1,1|2,0,0]=4 47 B13R1.1511 CCOC(=O)C1=CC=C(Br)C=C1Cl ACI-01734 [0,0,0,0,1,1|1,1,0]=4 48 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1C ACI-01346 [0,0,0,0,1,1|1,0,0]=3 49 B13R1.1511 CCOC(=O)C1=CN=C(O)N=C1C ACI-01034 [0,0,0,0,1,1|2,0,0]=4 50 B13R1.1511 CCOC(=O)C1=CN=C([O-])N=C1C SB-09A-002 [0,0,0,0,1,1|2,0,0]=4