0 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ACI-NI-00262 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.3 COC1=CC=C(C(N)=S)C=C1 ACI-NI-00263 [0,0,0,0,0,0|1,1,0]=2 2 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.3 N#CC1=CC=C(C=O)N=C1 ACI-04981 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [1,0,0,0,0,0|2,1,0]=4 21 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [1,0,0,0,0,0|2,1,0]=4 22 B10R1.13 NC(=S)C1=CN=C(O)C=C1 SB-16B-002 [1,0,0,0,0,0|2,1,0]=4 23 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.13 O=C(O)C1=CC=C(O)N=N1 JL-11I-004 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 SB-05K-003 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.5 COC(=O)C1=CC=C(CBr)N=C1 ACI-00476 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 ACI-05864 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 RH-06F-002 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.5 COC1=CC=C(\C(Cl)=N\O)C=C1 SB-03D-050 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 ACI-NI-00261 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 ACI-00325 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.6 COC1=NC=C(S(=O)(=O)Cl)C=C1 ACI-NI-00758 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.6 COC1=NC=C(S(N)(=O)=O)C=C1 ACI-04572 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.48 CC(=O)C1=CC=C(C#N)C(S)=N1 ACI-00401 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=N1 RH-10H-002 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.48 COC1=CC=C(C(=O)Cl)C=C1Br ACI-01757 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br ACI-05402 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Br ACI-01448 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.113 NC(=O)C1=CC=C(CCCl)C=C1 ACI-04715 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 ACI-02307 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.256 CC(C)C1=CC=C(C(=O)Cl)C=C1 ACI-02450 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.256 CC(C)C1=CC=C(C(N)=O)C=C1 ACI-05431 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.452 CSC1=CC=C(C(C)=O)C(Cl)=C1 ACI-01609 [0,1,0,0,0,0|0,1,0]=2 50 B10R1.31 CC(=O)C1=CNC(C=O)=C1 ACI-01337 [0,0,0,0,1,0|3,0,0]=4 51 B10R1.31 CCC1=CC(C(=O)O)=CS1 JL-14K-001 [0,0,0,0,1,0|3,0,0]=4 52 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 ACI-05058 [0,0,0,0,0,1|0,0,0]=1 53 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 ACI-04703 [0,0,0,0,0,1|2,0,0]=3 54 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 ACI-02273 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [2,0,0,0,0,0|1,0,1]=4 56 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.83 CNCC1=CC=C(OC)C=C1 WS-05I-015 [1,1,0,0,0,0|0,0,1]=3 58 B11R1.83 COC1=CC=C(\C=N\O)C=C1 ACI-01782 [1,1,0,0,0,0|0,0,1]=3 59 B11R1.279 COC1=CC=C(NN)C(C)=C1 ACI-04726 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 ACI-04697 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.21 CC1=C(Br)C=CC(C(=O)Cl)=C1 ACI-03963 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 ACI-03954 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.21 CC1=C(C)C=C(C(=N)N)C=C1 ACI-03942 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.21 CC1=CC=C(C(N)=S)C=C1F WS-04A-009 [1,1,0,0,0,0|1,1,0]=4 67 B11R1.21 NC(=O)C1=CC(F)=C(Br)C=C1 ACI-02957 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 ACI-05401 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.21 NC(=O)C1=CC=C(Cl)C(Br)=C1 ACI-05400 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.21 O=C(Cl)C1=CC(Br)=C(Cl)C=C1 ACI-01748 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Br)C=C1 ACI-01750 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 ACI-03967 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 ACI-00122 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.21 O=C(O)C1=CC(Cl)=C(O)N=C1 ACI-01690 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.21 O=C(O)C1=CC=C(O)C(I)=C1 ACI-02694 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.22 COC(=O)C1=CC=C(Cl)C=N1 ACI-04825 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SB-07E-003 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.22 COC(=O)C1=NC=C(O)C=C1 JM-05D-002 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 ACI-01724 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.166 CC1=C(C(=O)Cl)C=CC(Br)=C1 ACI-03965 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 ACI-03955 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 ACI-05353 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 WS-03K-001 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 ACI-03956 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl ACI-05399 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 ACI-03966 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.166 O=C(Cl)C1=CC=C(Br)C=C1Cl ACI-01735 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.166 O=C(O)C1=CC=C(O)N=C1Cl ACI-00424 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.35 COC1=NN=C(NC(C)=O)C=C1Cl JM-12G-002 [0,1,0,0,0,1|2,0,0]=4 95 B13R1.36 COC1=CC=C(C(=O)C(C)Br)C=C1 ACI-04033 [0,1,0,0,0,1|1,0,1]=4 96 B13R1.653 CC(=O)OC1=CC=C(C=O)C=C1Br SB-14A-002 [0,1,0,0,0,1|2,0,0]=4 97 B13R1.653 COC1=CC=C(NC(C)=O)C(N)=C1 JM-03A-001 [0,1,0,0,0,1|0,0,0]=2 98 B13R1.95 COC(=O)C1=CC=C(OC)C=C1O ACI-05672 [0,2,0,0,0,0|0,0,0]=2 99 B13R1.95 COC1=CC=C(C(=O)NO)C(O)=C1 ACI-05692 [0,2,0,0,0,0|1,0,0]=3 100 B13R1.187 CNS(=O)(=O)C1=CN=C(OC)C=C1 ACI-06112 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.537 COC(=O)C1=CC=C(C(=N)N)C=C1 ACI-02432 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.537 COC(=O)C1=CC=C(C(=O)O)N=C1 ACI-NI-00032 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.537 COC(=O)C1=NC=C(C(=O)O)C=C1 RH-05B-003 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.537 NCC(=O)C1=CC=C([N+](=O)[O-])C=C1 RH-06J-001 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.3088 CNC1=NC=C(C(=O)OC)C=C1Br ACI-04378 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.3088 COC(=O)C1=CC(O)=C(CO)C=C1 JM-05H-001 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.3088 COC1=CC=C(C(=O)NN)C=C1Br ACI-01756 [0,2,0,0,0,0|1,0,0]=3 108 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)Cl)C=C1 ACI-03969 [0,2,0,0,0,0|1,1,0]=4 109 B13R1.338 CS(=O)(=O)C1=CC=C(C(N)=O)C=C1 ACI-03959 [0,2,0,0,0,0|1,1,0]=4 110 B13R2.2130 COC1=CC=C2C(=C1)ON=C2O ACI-05652 [0,1,0,1,0,0|1,0,1]=4 111 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=N2 ACI-02678 [0,1,0,1,0,0|1,0,1]=4 112 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 ACI-05425 [0,1,0,1,0,0|1,0,0]=3 113 B13R2.430 NC(=O)C1=CC2=NON=C2C=C1 ACI-05365 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.430 NC(=O)C1=CC=C2OCCC2=C1 ACI-05408 [0,1,0,1,0,0|1,0,0]=3 115 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OCO2 ACI-02355 [0,1,0,1,0,0|1,0,0]=3 116 B13R2.430 O=C(Cl)C1=CC2=NON=C2C=C1 ACI-00363 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.430 O=C(Cl)C1=CC=C2OCCC2=C1 SB-05G-003 [0,1,0,1,0,0|1,0,0]=3 118 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 ACI-05338 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [1,0,0,0,1,0|2,0,0]=4 120 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [1,0,0,0,1,0|2,0,0]=4 121 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [1,0,0,0,1,0|2,0,0]=4 122 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [1,0,0,0,0,1|2,0,0]=4 123 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 RH-08K-004 [1,0,0,0,0,1|2,0,0]=4 124 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 ACI-05800 [1,0,0,0,0,1|2,0,0]=4 125 B11R1.266 COC1=CC(C(=N)N)=CC=C1 ACI-NI-00259 [0,0,0,0,1,1|2,0,0]=4 126 B11R1.266 COC1=CC(C(C)=O)=NC=C1 ACI-00419 [0,0,0,0,1,1|0,0,0]=2 127 B11R1.266 COC1=CC(C(C)O)=NC=C1 ACI-05093 [0,0,0,0,1,1|0,0,2]=4 128 B11R1.266 COC1=CC(C(N)=S)=CC=C1 ACI-NI-00260 [0,0,0,0,1,1|1,1,0]=4 129 B11R1.266 COC1=CC=NC(C(=O)O)=C1 ACI-NI-00709 [0,0,0,0,1,1|1,0,0]=3 130 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 ACI-05121 [0,0,0,0,0,2|2,0,0]=4