0 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 ACI-05159 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 ACI-NI-00209 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [0,0,0,0,0,0|2,1,0]=3 18 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [0,0,0,0,0,0|2,1,0]=3 19 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 ACI-NI-00213 [0,0,0,0,0,0|3,1,0]=4 20 B10R1.13 NC(=S)C1=CN=C(O)C=C1 SB-16B-002 [0,0,0,0,0,0|3,1,0]=4 21 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.13 O=C(O)C1=CC=C(O)N=N1 JL-11I-004 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [1,0,0,0,0,0|1,1,1]=4 33 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 O=CC1=CC=C(Cl)N=N1 ACI-02604 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [1,0,0,0,0,0|2,1,0]=4 40 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ACI-NI-00262 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.3 COC1=CC=C(C(N)=S)C=C1 ACI-NI-00263 [0,1,0,0,0,0|1,1,0]=3 42 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=N1 ACI-NI-00765 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=N1 ACI-04575 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.21 CC1=C(Br)C=CC(C(=N)N)=C1 ACI-03943 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.21 CC1=C(Br)C=CC(C(=O)Cl)=C1 ACI-03963 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 ACI-03954 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.21 CC1=C(C)C=C(C(=N)N)C=C1 ACI-03942 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.21 CC1=CC=C(C(N)=S)C=C1F WS-04A-009 [0,1,0,0,0,0|1,1,0]=3 52 B11R1.21 N=C(N)C1=CC(F)=C(Br)C=C1 ACI-03946 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.21 N=C(N)C1=CC(F)=C(F)C=C1 ACI-01052 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.21 NC(=O)C1=CC(F)=C(Br)C=C1 ACI-02957 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 ACI-05401 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.21 NC(=O)C1=CC=C(Cl)C(Br)=C1 ACI-05400 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 RJC-03C-003 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.21 O=C(Cl)C1=CC(Br)=C(Cl)C=C1 ACI-01748 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Br)C=C1 ACI-01750 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 ACI-03967 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 ACI-00869 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 ACI-00122 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.21 O=C(O)C1=CC(Cl)=C(O)N=C1 ACI-01690 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.21 O=C(O)C1=CC=C(O)C(I)=C1 ACI-02694 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.22 CC1=CC=C(\C(N)=N\O)C=N1 ACI-02491 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.22 CC1=CN=C(\C(N)=N\O)C=C1 JM-08K-004 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.22 COC(=O)C1=CC=C(Cl)C=N1 ACI-04825 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SB-07E-003 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.22 COC(=O)C1=NC=C(O)C=C1 JM-05D-002 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 ACI-01724 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.22 NNC(=O)C1=CC=C(Cl)N=C1 ACI-02020 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 ACI-NI-00220 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 ACI-01635 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 ACI-NI-00229 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 ACI-NI-00061 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.166 CC(=O)C1=CN=C(N)N=C1C ACI-00090 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 ACI-03944 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.166 CC1=C(C(=O)Cl)C=CC(Br)=C1 ACI-03965 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 ACI-03955 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 ACI-06402 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 ACI-05353 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 WS-03K-001 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 ACI-03945 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.166 N=C(N)C1=C(F)C=C(F)C=C1 ACI-00232 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 ACI-03956 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl ACI-05399 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 ACI-03966 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.166 O=C(Cl)C1=CC=C(Br)C=C1Cl ACI-01735 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.166 O=C(O)C1=CC=C(O)N=C1Cl ACI-00424 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(Cl)C=C1 ACI-02454 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,0,0,0,1,0|2,0,0]=3 97 B9R1.35 CC1=CC(C(=O)Cl)=NO1 ACI-00361 [0,0,0,0,1,0|3,0,0]=4 98 B9R1.35 CC1=CC(C(=O)O)=NN1 ACI-NI-00015 [0,0,0,0,1,0|3,0,0]=4 99 B9R1.35 CC1=CC(C(=O)O)=NO1 ACI-NI-00050 [0,0,0,0,1,0|3,0,0]=4 100 B9R1.35 CC1=CC(C(N)=O)=NO1 ACI-02392 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [0,0,0,0,1,0|2,0,0]=3 102 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [0,0,0,0,1,0|2,0,0]=3 103 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [0,0,0,0,1,0|3,0,0]=4 104 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [0,0,0,0,1,0|3,0,0]=4 106 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [0,0,0,0,1,0|3,0,0]=4 107 B9R1.35 CN1C=CC(C(=O)Cl)=N1 RH-07B-006 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.35 CN1C=CC(C(N)=O)=N1 ACI-05417 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.35 CN1C=NC(C(=O)O)=C1 ACI-00207 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.35 CN1C=NC(C(N)=O)=C1 ACI-02544 [0,0,0,0,1,0|3,0,0]=4 112 B9R1.35 NC(=O)C1=CC(Br)=CO1 JM-10G-001 [0,0,0,0,1,0|3,0,0]=4 113 B9R1.35 NC(=O)C1=CC=C(Br)O1 ACI-05421 [0,0,0,0,1,0|3,0,0]=4 114 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 ACI-02130 [0,0,0,0,1,0|3,0,0]=4 115 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [0,0,0,0,1,0|3,0,0]=4 116 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [0,0,0,0,0,1|2,0,0]=3 117 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 ACI-01700 [0,0,0,0,0,1|3,0,0]=4 118 B11R1.20 N=C(N)CC1=CC=C(F)C=C1 ACI-01698 [0,0,0,0,0,1|3,0,0]=4 119 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 RH-08K-004 [0,0,0,0,0,1|2,0,0]=3 120 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 ACI-NI-00199 [0,0,0,0,0,1|2,1,0]=4 121 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 ACI-00070 [0,0,0,0,0,1|3,0,0]=4 122 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 ACI-05800 [0,0,0,0,0,1|2,0,0]=3 123 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 FD-09D-001 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.3 C#CC1=CC=C(CO)C=C1 ACI-05708 [1,1,0,0,0,0|0,0,2]=4 127 B10R1.3 N#CC1=CC=C(C=O)N=C1 ACI-04981 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.3 OCC1=CC=C(CCl)C=C1 ACI-03865 [1,1,0,0,0,0|0,0,2]=4 130 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [1,1,0,0,0,0|0,0,2]=4 131 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.176 O=CC1=CC(Br)=C(Cl)N=C1 ACI-00868 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.61 CC1=C(C(N)=O)C=NC=C1 JM-11J-002 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.61 CC1=CC=CN=C1C(N)=O ACI-01402 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 ACI-05458 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.61 NC(=O)C1=CC=CN=C1Cl ACI-05357 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.61 NC(=O)C1=CC=CN=C1F ACI-05446 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.61 NC(=O)C1=CC=NC=C1F ACI-05445 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.61 NC(=O)C1=NC=CC=C1F ACI-05448 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [1,1,0,0,0,0|1,1,0]=4 153 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [1,1,0,0,0,0|1,1,0]=4 154 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl ACI-NI-00466 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.61 O=C(Cl)C1=CC=CN=C1F ACI-03845 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.61 O=C(Cl)C1=CC=NC=C1F ACI-03843 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.61 O=C(Cl)C1=NC=CC=C1Cl ACI-04861 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.61 O=C(Cl)C1=NC=CC=C1F ACI-03849 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 ACI-00044 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.113 CC(=O)C1=CC=NC(N)=N1 ACI-05038 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 ACI-NI-00224 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 ACI-NI-00236 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.113 N=C(N)C1=CC=CC(F)=C1 ACI-NI-00233 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 ACI-00462 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 ACI-05361 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.113 NC(=O)C1=CC(F)=NC=C1 ACI-05368 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.113 NC(=O)C1=NC(F)=CC=C1 ACI-05444 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 ACI-NI-00225 [1,1,0,0,0,0|1,1,0]=4 177 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 ACI-NI-00237 [1,1,0,0,0,0|1,1,0]=4 178 B10R1.113 NC(=S)C1=CC=CC(F)=C1 ACI-NI-00234 [1,1,0,0,0,0|1,1,0]=4 179 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 ACI-00306 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 ACI-03964 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.113 O=C(Cl)C1=CC(F)=CN=C1 ACI-05622 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 ACI-00434 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.113 O=C(Cl)C1=NC(F)=CC=C1 ACI-03839 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 ACI-00312 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.113 O=C(O)C1=CC(F)=NC=C1 ACI-00436 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.14 COC(=O)C1=CC(Br)=CN1 ACI-00657 [0,1,0,0,1,0|2,0,0]=4 189 B10R1.14 COC(=O)C1=CC(C)=NN1 ACI-00027 [0,1,0,0,1,0|2,0,0]=4 190 B10R1.14 COC(=O)C1=CC=C(Br)S1 ACI-02359 [0,1,0,0,1,0|2,0,0]=4 191 B10R1.14 COC(=O)C1=CN(C)C=N1 ACI-02533 [0,1,0,0,1,0|2,0,0]=4 192 B10R1.14 COC(=O)C1=CN=C(C)S1 ACI-01275 [0,1,0,0,1,0|2,0,0]=4 193 B10R1.14 COC(=O)C1=CNC(Br)=C1 ACI-05836 [0,1,0,0,1,0|2,0,0]=4 194 B10R1.14 COC(=O)C1=COC(C)=N1 ACI-02460 [0,1,0,0,1,0|2,0,0]=4 195 B10R1.31 CC(=O)C1=CNC(C=O)=C1 ACI-01337 [0,1,0,0,1,0|1,0,1]=4 196 B10R1.31 CCC1=CC(C(=O)O)=CS1 JL-14K-001 [0,1,0,0,1,0|2,0,0]=4 197 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 ACI-05058 [0,1,0,0,0,1|0,0,0]=2 198 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 ACI-04703 [0,1,0,0,0,1|2,0,0]=4 199 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 ACI-02273 [0,1,0,0,0,1|1,0,1]=4 200 B12R1.49 O=C(CBr)NC1=CC=C(Cl)C=C1 WS-04E-003 [0,1,0,0,0,1|1,0,0]=3 201 B12R1.233 CC(=O)CC1=C(C)C=C(Cl)C=C1 ACI-05056 [0,1,0,0,0,1|1,0,0]=3 202 B12R1.233 O=C(Cl)CC1=C(F)C=C(F)C=C1 ACI-05792 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1Cl ACI-05796 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 SB-05K-003 [0,2,0,0,0,0|0,0,1]=3 205 B12R1.5 COC(=O)C1=CC=C(CBr)N=C1 ACI-00476 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 ACI-05864 [0,2,0,0,0,0|0,0,0]=2 207 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 RH-06F-002 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.5 COC1=CC=C(\C(Cl)=N\O)C=C1 SB-03D-050 [0,2,0,0,0,0|1,0,1]=4 209 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 ACI-NI-00261 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 ACI-00325 [0,2,0,0,0,0|0,0,1]=3 211 B12R1.48 CC(=O)C1=CC=C(C#N)C(S)=N1 ACI-00401 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=N1 RH-10H-002 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.48 COC1=CC=C(C(=O)Cl)C=C1Br ACI-01757 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br ACI-05402 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.113 NC(=O)C1=CC=C(CCCl)C=C1 ACI-04715 [0,2,0,0,0,0|1,0,0]=3 216 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 ACI-02307 [0,2,0,0,0,0|0,0,1]=3 217 B12R1.256 CC(C)C1=CC=C(C(=O)Cl)C=C1 ACI-02450 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.256 CC(C)C1=CC=C(C(N)=O)C=C1 ACI-05431 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.452 CSC1=CC=C(C(C)=O)C(Cl)=C1 ACI-01609 [0,2,0,0,0,0|0,0,0]=2 220 B12R1.9 CNS(=O)(=O)C1=CC=C(C)N=C1 ACI-06115 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.23 CC1=CC=C(S(=O)(=O)Cl)C=C1Br ACI-02350 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.23 CC1=CC=C(S(N)(=O)=O)C=C1Br ACI-04559 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.126 CC1=CC(Br)=C(S(=O)(=O)Cl)C=C1 ACI-02405 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.126 CC1=CC(Br)=C(S(N)(=O)=O)C=C1 ACI-04561 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.232 NC(=O)C1=C(F)C=C(F)C(F)=C1 ACI-03962 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.232 O=C(Cl)C1=C(F)C=C(F)C(F)=C1 ACI-03973 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.232 O=C(Cl)C1=CC(F)=C(Br)C=C1F ACI-06625 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1F ACI-06624 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1F ACI-04695 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.367 CC1=C(Br)C=CC(C(=O)NN)=C1 ACI-01752 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.367 CC1=C(C)C=C(\C(N)=N\O)C=C1 ACI-04056 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.367 CC1=C(Cl)C=CC(C(=O)CBr)=C1 JL-10G-002 [0,2,0,0,0,0|1,0,0]=3 233 B12R1.367 CC1=CC(C(=O)CBr)=CC=C1F SB-07D-001 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 ACI-00135 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 RH-14B-002 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 RH-12K-001 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 ACI-01781 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.367 COC(=O)C1=CC=C(N)C(O)=C1 ACI-05637 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.367 COC(=O)C1=CC=C(O)C(N)=C1 ACI-03869 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.367 COC(=O)C1=CN=C(F)C(Cl)=C1 RH-12B-001 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.367 COC(=O)C1=CN=C(O)C(I)=C1 ACI-05549 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.367 NNC(=O)C1=CC(Br)=C(Cl)C=C1 ACI-01746 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.367 NNC(=O)C1=CC(Cl)=C(Br)C=C1 ACI-01749 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.367 NNC(=O)C1=CC=C(F)C(F)=C1 ACI-01753 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.367 O=C(CBr)C1=CC=C(Cl)C(Cl)=C1 ACI-01710 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.1005 NC(=O)C1=CC(F)=C(F)C(F)=C1 ACI-03960 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1Br ACI-04381 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.1005 O=C(Cl)C1=CC(F)=C(F)C(F)=C1 ACI-03971 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.16 CCOC(=N)C1=CC=C(Br)C=C1 ACI-01058 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.16 CCOC(=N)C1=CC=C(F)C=C1 ACI-01059 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 ACI-00479 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.16 CCOC(=O)C1=CC=C(N)C=N1 ACI-03797 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.16 CCOC(=O)C1=CC=C(N)N=C1 RH-05K-012 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 ACI-01091 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 ACI-00486 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.1703 CC1=CC=C(C(=O)NN)C(Br)=C1 ACI-01765 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.1703 CC1=CC=C(C(=O)NO)C(O)=C1 ACI-05693 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 RH-15H-001 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=N1 ACI-04831 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=N1 ACI-04828 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 SB-12E-001 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1F SB-05B-001 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1O ACI-05682 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O ACI-05673 [0,2,0,0,0,0|0,0,0]=2 265 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl ACI-00873 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O ACI-05670 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.1703 COC(=O)C1=CC=C(F)N=C1F ACI-00472 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.1703 COC(=O)C1=CC=C(O)C=C1O ACI-05671 [0,2,0,0,0,0|1,0,0]=3 269 B12R1.1703 NNC(=O)C1=C(F)C=C(F)C=C1 ACI-01740 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.1703 NNC(=O)C1=CC=C(Br)C=C1Cl ACI-01733 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.1703 O=C(NO)C1=C(O)C=C(Cl)C=C1 SB-12E-002 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.1703 O=C(NO)C1=CC=C(Br)C=C1O ACI-05702 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.1703 O=C(NO)C1=CC=C(F)C=C1O ACI-05690 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.1703 O=C(NO)C1=CC=C(O)C=C1O ACI-05691 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(Cl)=N1 ACI-NI-00173 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(O)=N1 ACI-NI-00172 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.1000 CC1=CC(C)=NC(O)=C1C(=O)O ACI-NI-00064 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.1000 CC1=CC(F)=CC(C)=C1C(=O)Cl ACI-02131 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.1000 CC1=CC(F)=CC(C)=C1C(N)=O ACI-05422 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.1000 NC(=O)C1=C(F)C=C(Br)C=C1F ACI-05443 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.1000 O=C(Cl)C1=C(F)C=C(Br)C=C1F JL-10B-002 [0,2,0,0,0,0|2,0,0]=4 282 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)S1 ACI-00966 [0,0,0,1,0,1|2,0,0]=4 283 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 ACI-02618 [0,0,0,1,0,1|2,0,0]=4 284 B12R2.612 CC1=CC=C2C(=C1)ON=C2O ACI-05653 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [1,0,0,0,1,0|2,0,0]=4 286 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [1,0,0,0,1,0|2,0,0]=4 287 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [1,0,0,0,1,0|2,0,0]=4 288 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [1,0,0,0,1,0|2,0,0]=4 289 B8R1.1 CN1C=C(C=O)C=N1 ACI-01990 [1,0,0,0,1,0|2,0,0]=4 290 B8R1.1 CN1C=NC(C=O)=C1 JM-06D-001 [1,0,0,0,1,0|2,0,0]=4 291 B8R1.1 O=CC1=CC(I)=CS1 ACI-02692 [1,0,0,0,1,0|2,0,0]=4 292 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [1,0,0,0,1,0|2,0,0]=4 293 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [1,0,0,0,1,0|2,0,0]=4 294 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [1,0,0,0,1,0|2,0,0]=4 295 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [1,0,0,0,1,0|2,0,0]=4 296 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [1,0,0,0,1,0|2,0,0]=4 297 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [1,0,0,0,1,0|2,0,0]=4 298 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [1,0,0,0,0,1|2,0,0]=4 299 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,0,0,0,0,1|1,1,0]=4 300 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [1,0,0,0,0,1|2,0,0]=4 301 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 FD-09B-003 [0,0,0,0,0,2|1,0,0]=3 302 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 ACI-01232 [0,0,0,0,0,2|1,0,0]=3 303 B12R1.21 CC1=CC=C(OCC(=N)N)C=C1 ACI-05110 [0,0,0,0,0,2|2,0,0]=4 304 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 ACI-05910 [0,0,0,0,0,2|1,0,0]=3 305 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 ACI-05916 [0,0,0,0,0,2|2,0,0]=4 306 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 ACI-05909 [0,0,0,0,0,2|2,0,0]=4 307 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 ACI-05915 [0,0,0,0,0,2|2,0,0]=4