0 B14R2.20 CC1=CC=C(C2=NSC(N)=N2)C=C1 OR14842 [0,0,0,0,0,0|2,1,1]=4 1 B14R2.20 CC1=NC(C2=CC=C(Br)C=C2)=CS1 OR1423 [0,0,0,0,0,0|1,1,2]=4 2 B14R2.20 CC1=NC(C2=CC=C(Br)C=C2)=NO1 OR0783 [0,0,0,0,0,0|2,0,1]=3 3 B14R2.20 CC1=NC(C2=CC=C(N)C=C2)=NO1 OR9660 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.20 NC1=CC(C2=CC=C(Br)C=C2)=NN1 OR14269 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.20 NC1=CC(C2=CC=C(Br)C=C2)=NO1 OR15271 [0,0,0,0,0,0|2,0,1]=3 6 B14R2.20 NC1=CC(C2=CC=C(Cl)C=C2)=NO1 OR15282 [0,0,0,0,0,0|2,1,1]=4 7 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CS1 OR5603 [0,0,0,0,0,0|0,1,2]=3 8 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 OR5604 [0,0,0,0,0,0|0,2,2]=4 9 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=NS1 OR14818 [0,0,0,0,0,0|1,2,1]=4 10 B14R2.20 NC1=NCC(C2=CC=C(Br)C=C2)O1 OR40549 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 OR01541 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 OR15239 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 OR307244 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.10 NC1=NC(C2=CC=CC=C2)=NS1 OR14852 [1,0,0,0,0,0|1,1,1]=4 15 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 OR41147 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 OR8745 [1,0,0,0,0,0|1,0,1]=3 17 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 OR8746 [1,0,0,0,0,0|1,0,1]=3 18 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 OR14525 [1,0,0,0,0,0|1,0,1]=3 19 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 OR14519 [1,0,0,0,0,0|1,1,1]=4 20 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 OR14526 [1,0,0,0,0,0|1,0,1]=3 21 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 OR14520 [1,0,0,0,0,0|1,1,1]=4 22 B13R2.12 BrC1=CC=C(C2=NOC=N2)C=C1 OR5964 [1,0,0,0,0,0|1,0,1]=3 23 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 OR313026 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.12 BrC1=CC=C(N2C=CC=N2)C=C1 OR8582 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.275 CNC1=NC(C2=CC=C(Br)C=C2)=CS1 OR43533 [0,1,0,0,0,0|0,1,2]=4 26 B15R2.309 CC1=C(C2=CC=C(Br)C=C2)N=C(N)S1 OR30953 [0,1,0,0,0,0|0,1,2]=4 27 B15R2.309 NC1=NC(C2=CC=C(Br)C=C2)=C(Br)S1 OR14811 [0,1,0,0,0,0|0,1,2]=4 28 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 OR15501 [0,0,1,0,0,0|2,0,1]=4 29 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 OR13344 [0,0,1,0,0,0|3,0,0]=4 30 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 OR7045 [0,0,0,0,1,0|2,0,0]=3 31 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 OR7047 [0,0,0,0,1,0|2,1,0]=4 32 B15R2.28 NC1=NC(C2=CC=C(Br)C=C2)=CC=N1 OR13882 [0,0,0,0,0,1|1,0,2]=4 33 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 OR3085 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.27 COC(=O)CCC1=CC=CC=C1 OR30978 [1,0,1,0,0,0|2,0,0]=4 35 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(Br)C=C1 OR306029 [0,1,1,0,0,0|2,0,0]=4 36 B14R2.8 NCC1=NC(C2=CC=CC=C2)=NO1 OR16557 [1,1,0,0,0,0|1,0,1]=4 37 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=N1 OR300100 [0,0,1,1,0,0|1,0,1]=4 38 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 OR15214 [0,0,1,0,1,0|1,0,0]=3 39 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 OR42221 [0,0,1,0,1,0|1,1,0]=4 40 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 OR0171 [0,0,1,0,1,0|2,0,0]=4 41 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 OR913528 [0,0,1,0,1,0|2,0,0]=4 42 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 OR2607 [0,0,1,0,1,0|2,0,0]=4 43 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 OR17909 [0,0,1,0,1,0|2,0,0]=4 44 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 OR48264 [0,0,1,0,1,0|2,0,0]=4 45 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 OR43666 [0,0,1,0,1,0|2,0,0]=4 46 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 OR310337 [0,0,1,0,1,0|2,0,0]=4 47 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 OR7098 [1,0,0,0,1,0|2,0,0]=4 48 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 OR312162 [1,0,0,0,1,0|0,0,1]=3 49 B12R2.2302 NC1=CC=C(C2COC2)C=C1 OR312163 [1,0,0,0,1,0|1,0,1]=4 50 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 OR8747 [1,0,0,0,0,1|1,0,1]=4 51 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 OR8727 [1,0,0,0,0,1|1,0,1]=4 52 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 OR14528 [1,0,0,0,0,1|1,0,1]=4