0 B10R1.58 CN1N=C(C(=O)O)C=C1F E72900 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.58 CN1N=C(C(=O)O)N=C1Br AT12338 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.58 CN1N=C(C(=O)O)N=C1O C77417 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.58 FC(F)C1=CC(Br)=C(Cl)S1 AT26771 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.23 CC1=C(Br)SC(CO)=N1 AT10266 [1,0,0,0,0,0|1,1,1]=4 5 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [1,0,0,0,0,0|0,1,0]=2 8 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.35 CC1=NSC([N+](=O)[O-])=C1 D76872 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.35 NC1=CSC(C(=O)[O-])=N1 D77136 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.35 O=C(O)C1=CC(Cl)=NS1 AT21207 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 O=C(O)C1=CC(F)=NN1 E72836 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [1,0,0,0,0,0|2,1,0]=4 15 B9R1.35 O=C(O)C1=NC(Br)=CN1 AT15621 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.35 O=C(O)C1=NSC(Br)=C1 AT21100 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 O=C(O)C1=NSC(I)=C1 AT21162 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.48 CCC1=C(C)N=C(C(=O)O)N1 96263 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.226 COC(=O)C1=CC(I)=C(Cl)N1 AC8732 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.672 CC1=C(Cl)C(Cl)=C(C(=O)O)N1 60160 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.672 O=C(O)C1=C(F)C(Br)=C(Br)S1 E71864 [0,1,0,0,0,0|1,1,0]=3 22 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.21 CC1=CC(C(=O)O)=NN=C1C AT17788 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.21 NC(=O)C1=CN=C(Cl)C(F)=C1 D97046 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=N1 F31272 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.21 NC1=CC(C(=O)O)=CN=C1F AT14227 [0,0,0,0,0,1|2,1,0]=4 27 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=N1 AT23489 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 AT22891 [0,0,0,0,0,1|2,1,0]=4 29 B11R1.21 [BH3-]C1=C(C)C=CC(C(N)=O)=C1 AC8800 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.74 CC(=O)C1=NC(Cl)=NC(Cl)=C1 91060 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.74 CC1=CC(C(=O)O)=CC(F)=N1 AT21700 [0,0,0,0,0,1|1,1,0]=3 32 B11R1.74 CC1=NC(Br)=NC(C(=O)O)=C1 AT21615 [0,0,0,0,0,1|1,1,0]=3 33 B11R1.74 CC1=NC(Cl)=NC(C(=O)O)=N1 51883 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.74 NC1=CC(Br)=NC(C(=O)O)=C1 P19210 [0,0,0,0,0,1|2,1,0]=4 35 B11R1.74 NC1=NC(C(=O)O)=CC(Cl)=N1 D76794 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.74 [2H]C1=CC([2H])=CC(C(=O)O)=C1 D99631 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.1 CC1=CC(C=O)=NS1 F14135 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.1 CC1=COC(C=O)=C1 P11782 [2,0,0,0,0,0|0,1,0]=3 39 B8R1.1 CC1=NSC(CO)=C1 AT21143 [2,0,0,0,0,0|1,0,1]=4 40 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.1 O=CC1=CC(F)=CS1 D74660 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.1 O=CC1=CC=C(F)S1 87160 [2,0,0,0,0,0|0,1,0]=3 43 B8R1.1 OCC1=CC(F)=CS1 D74661 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [2,0,0,0,0,0|0,1,1]=4 45 B10R1.14 COC(=O)C1=CC(=O)NS1 D77112 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.14 COC(=O)C1=CC(Cl)=CN1 P18992 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.14 COC(=O)C1=CC(O)=CN1 D75981 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.31 COC1=CC(C(=O)O)=NN1 D77183 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.31 COC1=NSC(C(=O)O)=C1 AT11833 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.31 COC1=NSC(C(C)=O)=C1 AT11832 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.31 O=C(O)C1=CSC(CCl)=N1 C77454 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.59 CC1=CN(N)C(C(N)=O)=C1 P11521 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 AT22754 [1,1,0,0,0,0|0,1,0]=3 55 B10R1.194 CC1=C(F)C(C(=O)O)=NN1 W13698 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.194 CC1=CN=C(C(=O)O)N1C AT22510 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.194 CC1=CSC(C(=O)O)=C1N 35392 [1,1,0,0,0,0|0,0,0]=2 58 B10R1.194 CC1=NSC(C(=O)O)=C1N AT21211 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 P11016 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=N1 AC9654 [0,1,0,0,0,1|1,0,1]=4 61 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)N=C1 C77409 [0,1,0,0,0,1|1,0,1]=4 62 B12R1.56 CCC1=NC(C(=O)O)=CN=C1Cl 57171 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.56 COC1=C(F)C=NC(C(=O)O)=C1 AT26887 [0,1,0,0,0,1|1,1,0]=4 64 B12R1.56 NCC1=C(F)C=CC(C(=O)O)=C1 AC6784 [0,1,0,0,0,1|1,1,0]=4 65 B12R1.232 CC1=C(Cl)C=C(C(=O)O)C(Cl)=N1 AT21679 [0,1,0,0,0,1|1,0,0]=3 66 B12R1.232 CC1=C(Cl)C=C(O)C(C(=O)O)=C1 AC7035 [0,1,0,0,0,1|1,0,0]=3 67 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1O D76073 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.232 O=C(O)C1=CC(O)=C(Cl)C=C1Cl D76122 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.367 CC1=C(Cl)C=C(\C(C)=N\O)C=C1 D72579 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=N1 AT24932 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.367 COC(=O)C1=CN=C(C)C(N)=C1 AT14218 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.367 COC(=O)C1=CN=C(Cl)C(Cl)=N1 98372 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.367 COC(=O)C1=CN=C(I)C(Cl)=C1 AT24238 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.367 COC(=O)C1=NC=C(O)C(C)=C1 P12287 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.893 CC1=C(Cl)C(C(=O)O)=CN=C1Cl AT21680 [0,1,0,0,0,1|1,0,0]=3 76 B12R1.11 CCC1=CC(C(=O)O)=CC(N)=N1 C92761 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.11 O=CC1=CC(Cl)=CC(C(=O)O)=C1 AC4465 [0,1,0,0,0,1|1,0,1]=4 78 B12R1.511 NC1=C(Cl)N=C(Cl)N=C1C(=O)O P11743 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.63 COC(=O)C1=CC(OC)=C(Br)S1 O11953 [0,2,0,0,0,0|0,1,0]=3 80 B10R1.39 O=CC1=C(C(=O)O)SC=C1 AT16398 [0,0,1,1,0,0|2,0,0]=4 81 B10R1.118 CC1=C(Cl)N=C(I)C(=O)O1 AT20293 [0,0,1,1,0,0|2,0,0]=4 82 B10R1.8 CC1=CC(C=O)=NC(C)=N1 P20556 [1,0,0,0,0,1|2,0,0]=4 83 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 P12957 [1,0,0,0,0,1|1,0,0]=3