0 B10R1.58 OB(O)C1=CC(Br)=C(Cl)S1 Z7558 [0,0,0,0,0,0|1,1,1]=3 1 B9R1.23 CC1=C(Br)C=C(C=O)S1 Y8586 [1,0,0,0,0,0|1,1,0]=3 2 B9R1.23 O=CC1=CC(Cl)=C(Cl)S1 0381AC [1,0,0,0,0,0|0,0,0]=1 3 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.35 CC1=CN=C(C(=O)[O-])S1 X8956 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.35 NC(=O)C1=CC=C(Br)N1 9191AA [1,0,0,0,0,0|2,1,0]=4 6 B9R1.35 NC1=CC=C(C(=O)O)N1 3677AC [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 NC1=CN=C(C(=O)O)S1 6796AB [1,0,0,0,0,0|2,0,0]=3 8 B9R1.35 NC1=CNC(C(=O)O)=C1 7817AA [1,0,0,0,0,0|2,0,0]=3 9 B9R1.35 NC1=NC(C(=O)O)=CN1 3411AC [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 O=C(O)C1=COC(F)=N1 X6415 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.35 O=C(O)C1=CSC(F)=C1 2919AL [1,0,0,0,0,0|2,1,0]=4 12 B9R1.35 OB(O)C1=CC(Cl)=CS1 Z7475 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.35 OB(O)C1=CC(F)=CS1 6429AA [1,0,0,0,0,0|1,1,1]=4 14 B11R1.48 CC1=C(CN)C=C(C(=O)O)O1 3456AE [0,1,0,0,0,0|2,1,0]=4 15 B11R1.48 O=C(O)C1=CC(CCl)=C(Cl)S1 2512AD [0,1,0,0,0,0|0,0,0]=1 16 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)N1 3399AA [0,1,0,0,0,0|1,0,0]=2 17 B11R1.226 COC(=O)C1=CC(F)=C(Br)S1 5185AB [0,1,0,0,0,0|0,2,0]=3 18 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 1470AA [0,1,0,0,0,0|2,0,0]=3 19 B11R1.226 O=C(CCl)C1=CC(Cl)=C(Cl)S1 7298AE [0,1,0,0,0,0|1,0,0]=2 20 B11R1.21 CC1=C(F)N=C(C(=O)O)C=C1 3707AA [0,0,0,0,0,1|2,1,0]=4 21 B11R1.21 CC1=CC(C(=O)O)=CN=C1N 8550AA [0,0,0,0,0,1|3,0,0]=4 22 B11R1.21 CC1=NC=C(C(=O)O)C=C1O 1540AC [0,0,0,0,0,1|3,0,0]=4 23 B11R1.21 NC1=CN=C(C(=O)O)C=C1N 6504AA [0,0,0,0,0,1|3,0,0]=4 24 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 4575AC [0,0,0,0,0,1|2,1,0]=4 25 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 0899AQ [0,0,0,0,0,1|2,1,0]=4 26 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 5025AJ [0,0,0,0,0,1|3,0,0]=4 27 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 4030AB [0,0,0,0,0,1|3,0,0]=4 28 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 7630AE [0,0,0,0,0,1|3,0,0]=4 29 B11R1.74 CC1=CC(F)=CC(C(=O)O)=N1 1356AA [0,0,0,0,0,1|2,1,0]=4 30 B11R1.74 CC1=NC(N)=CC(C(=O)O)=N1 5813AC [0,0,0,0,0,1|3,0,0]=4 31 B11R1.74 NC1=NC(O)=CC(C(=O)O)=N1 8343AE [0,0,0,0,0,1|3,0,0]=4 32 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl 6056AD [0,0,0,0,0,1|3,0,0]=4 33 B8R1.1 CC1=COC(C=O)=C1 2776AL [2,0,0,0,0,0|1,1,0]=4 34 B8R1.1 N#CC1=CC=C(Cl)S1 6946AB [2,0,0,0,0,0|1,0,1]=4 35 B8R1.1 NCC1=CC(Cl)=CS1 0924AB [2,0,0,0,0,0|1,0,1]=4 36 B8R1.1 O=CC1=CC(F)=CS1 3616AB [2,0,0,0,0,0|0,1,0]=3 37 B8R1.1 O=CC1=CC=C(F)S1 2922AL [2,0,0,0,0,0|0,1,0]=3 38 B8R1.18 ClC1=CC(I)=C(Cl)S1 3312AE [2,0,0,0,0,0|1,1,0]=4 39 B8R1.7 N=C(N)C1=CC=CS1 1905AJ [2,0,0,0,0,0|2,0,0]=4 40 B8R1.7 O=C(O)C1=CSC=N1 2475AE [2,0,0,0,0,0|2,0,0]=4 41 B8R1.7 O=C(O)C1=NN=CS1 6775AB [2,0,0,0,0,0|2,0,0]=4 42 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.7 O=C([O-])C1=CC=CO1 7350AF [2,0,0,0,0,0|0,1,1]=4 44 B8R1.7 O=C([O-])C1=CC=CO1 7351AF [2,0,0,0,0,0|0,1,1]=4 45 B10R1.14 COC(=O)C1=CC(F)=CN1 6491AB [1,1,0,0,0,0|1,1,0]=4 46 B10R1.14 COC(=O)C1=CC=C(Cl)O1 7113AJ [1,1,0,0,0,0|0,1,0]=3 47 B10R1.14 COC(=O)C1=CSC(Cl)=C1 0109AP [1,1,0,0,0,0|2,0,0]=4 48 B10R1.14 COC(=O)C1=NC=C(Cl)S1 X0356 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.31 O=C(O)C1=CC=C(CO)N1 6865AC [1,1,0,0,0,0|2,0,0]=4 50 B10R1.31 O=CC1=CNC(C(=O)O)=C1 1061AC [1,1,0,0,0,0|2,0,0]=4 51 B10R1.55 O=S(=O)(F)C1=CC=C(Cl)S1 0507AQ [1,1,0,0,0,0|1,0,1]=4 52 B10R1.59 CC1=C(C(=O)O)SC(=S)N1 8512AB [1,1,0,0,0,0|2,0,0]=4 53 B10R1.59 CC1=C(C(=O)O)SC(I)=N1 X6570 [1,1,0,0,0,0|1,1,0]=4 54 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 0935AE [1,1,0,0,0,0|1,1,0]=4 55 B10R1.59 CC1=CC(N)=C(C(=O)O)N1 1661AC [1,1,0,0,0,0|2,0,0]=4 56 B10R1.59 CC1=CC(N)=C(C(=O)O)S1 0059AA [1,1,0,0,0,0|1,0,0]=3 57 B10R1.194 CC1=CSC(C(=O)O)=C1N 1700AB [1,1,0,0,0,0|1,0,0]=3 58 B10R1.194 CC1=NSC(C(=O)O)=C1N 6314AB [1,1,0,0,0,0|2,0,0]=4 59 B12R1.232 CC1=CC(Br)=C(Cl)C=C1C(=O)O Z0125 [0,1,0,0,0,1|1,1,0]=4 60 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1Cl 2380AC [0,1,0,0,0,1|1,1,0]=4 61 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Cl 5380AC [0,1,0,0,0,1|1,1,0]=4 62 B12R1.893 O=C(O)C1=NC=C(Br)C(Cl)=C1Br 0811AC [0,1,0,0,0,1|1,1,0]=4 63 B12R1.893 O=C(O)C1=NC=C(Cl)C(Cl)=C1Cl 7850AB [0,1,0,0,0,1|1,0,0]=3 64 B12R1.358 COC(=O)C1=CC(Cl)=NC(N)=N1 9551AB [0,1,0,0,0,1|2,0,0]=4 65 B12R1.511 NC1=C(Cl)N=C(Cl)N=C1C(=O)O 3613AA [0,1,0,0,0,1|1,0,0]=3 66 B12R1.63 COC(=O)C1=CC(Br)=C(C#N)S1 9921AB [0,2,0,0,0,0|1,1,0]=4 67 B12R1.63 COC(=O)C1=CC(Br)=C(C=O)S1 9920AB [0,2,0,0,0,0|1,1,0]=4 68 B12R1.111 O=C(O)C1=CC([N+](=O)[O-])=C(Br)S1 4740AC [0,2,0,0,0,0|1,1,0]=4 69 B12R1.314 CCOC(=O)C1=CC(Cl)=C(Cl)S1 5579AA [0,2,0,0,0,0|0,0,0]=2 70 B12R1.362 COC(=O)C1=C(F)C(Br)=C(Br)S1 5184AB [0,2,0,0,0,0|0,2,0]=4 71 B12R1.362 COC(=O)C1=C(O)C(Br)=C(C)S1 2314AA [0,2,0,0,0,0|1,1,0]=4 72 B10R1.39 O=CC1=C(C(=O)O)SC=C1 0273AB [0,0,1,1,0,0|2,0,0]=4 73 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 8289AJ [0,0,1,1,0,0|2,0,0]=4 74 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 6878AC [1,0,0,0,0,1|2,0,0]=4 75 B10R1.8 CC1=NC(C=O)=CC(Cl)=N1 5811AC [1,0,0,0,0,1|2,0,0]=4 76 B10R1.54 CC(=O)NC1=CC=C(Br)S1 Z5031 [1,0,0,0,0,1|1,1,0]=4 77 B12R1.101 CC(=O)NC1=CC(Cl)=CC(Cl)=C1 3632AL [0,0,0,0,0,2|2,0,0]=4