0 B14R2.20 ClC1=CC=C(C2=NSC(Cl)=N2)C=C1 MC430443 [0,0,0,0,0,0|2,1,1]=4 1 B14R2.20 NC1=NC=C(C2=CC=C(Cl)C=C2)S1 CS16619 [0,0,0,0,0,0|2,0,2]=4 2 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 MC431580 [0,0,0,0,0,0|3,1,0]=4 3 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 MC121297 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 MC21050 [1,0,0,0,0,0|0,0,2]=3 5 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11041 [1,0,0,0,0,0|1,0,1]=3 7 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11043 [1,0,0,0,0,0|1,0,1]=3 8 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 CS14482 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.299 NC1=NC(C2=CC(Cl)=C(Cl)C=C2)=CS1 CS22436 [0,1,0,0,0,0|0,1,2]=4 10 B15R2.299 NC1=N[NH+](C2=CC(Cl)=C(Cl)C=C2)[N-]O1 MC445820 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS12844 [0,0,1,0,0,0|2,1,0]=4 12 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS11125 [0,0,1,0,0,0|3,0,0]=4 13 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433909 [0,0,1,0,0,0|2,0,1]=4 14 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 CS13598 [0,0,1,0,0,0|3,0,0]=4 15 B15R2.3 [NH3+]C1=NN=C(C2=CC=C(Cl)C=C2)CS1 MC116781 [0,0,0,0,0,1|0,1,2]=4 16 B12R1.12 CC1=CC=C(C(CN)CO)C=C1 MC105877 [1,0,1,0,0,0|1,0,1]=4 17 B12R1.12 CC1=CC=C(C(CN)CO)C=C1 MC105878 [1,0,1,0,0,0|1,0,1]=4 18 B12R1.12 NCC(CO)C1=CC=C(Br)C=C1 MC105893 [1,0,1,0,0,0|0,1,1]=4 19 B12R1.12 NCC(CO)C1=CC=C(Br)C=C1 MC105894 [1,0,1,0,0,0|0,1,1]=4 20 B12R1.12 NCC(CO)C1=CC=C(Cl)C=C1 MC105869 [1,0,1,0,0,0|0,0,1]=3 21 B12R1.12 NCC(CO)C1=CC=C(Cl)C=C1 MC105870 [1,0,1,0,0,0|0,0,1]=3 22 B12R1.12 NCC(CO)C1=CC=C(F)C=C1 MC105861 [1,0,1,0,0,0|0,1,1]=4 23 B12R1.12 NCC(CO)C1=CC=C(F)C=C1 MC105862 [1,0,1,0,0,0|0,1,1]=4 24 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [1,0,1,0,0,0|2,0,0]=4 27 B14R1.134 COC(=O)C(N)Cc1ccc(Cl)cc1 MC436858 [0,1,1,0,0,0|2,0,0]=4 28 B14R1.134 COC(=O)C(N)Cc1ccc(Cl)cc1 MC436859 [0,1,1,0,0,0|2,0,0]=4 29 B14R2.256 NC1=NC(C2=C(Cl)C=CC=C2)=NO1 MC110594 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [0,0,1,0,1,0|1,1,0]=4 31 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [0,0,1,0,1,0|2,0,0]=4 32 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [0,0,1,0,1,0|1,0,0]=3 33 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,0,1,0,1,0|2,0,0]=4 34 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [0,0,1,0,1,0|1,1,0]=4 35 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS10846 [0,0,1,0,1,0|2,0,0]=4 36 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS15576 [0,0,1,0,1,0|2,0,0]=4 37 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS19207 [0,0,1,0,1,0|2,0,0]=4 38 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 MC40142 [0,0,1,0,1,0|2,0,0]=4 39 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS20354 [0,0,1,0,1,0|2,0,0]=4 40 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 MC40159 [0,0,1,0,1,0|2,0,0]=4 41 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [1,0,0,0,1,0|1,0,1]=4 42 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [1,0,0,0,1,0|1,0,1]=4 43 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [1,0,0,0,1,0|1,0,1]=4 44 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [1,0,0,0,1,0|2,0,0]=4 45 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [1,0,0,0,1,0|2,0,0]=4 46 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 MC102461 [1,0,0,0,1,0|0,1,1]=4 47 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 MC111254 [0,0,0,0,2,0|0,1,1]=4 48 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [1,0,0,0,0,1|1,0,1]=4 49 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [1,0,0,0,0,1|1,0,1]=4 50 B14R2.19 S=C1NC(CC2=CC=CC=C2)CO1 MC114954 [1,0,0,0,0,1|1,0,1]=4