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 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 ACI-NI-00209 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 ACI-NI-00213 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 NC(=S)C1=CN=C(O)C=C1 SB-16B-002 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.13 O=C(O)C1=CC=C(O)N=N1 JL-11I-004 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.1 N#CC1=CC=C(Cl)N=C1 ACI-NI-00401 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.1 NNC1=CC=C(F)N=C1 ACI-04198 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 O=CC1=CC=C(Cl)N=N1 ACI-02604 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.6 N=C(N)C1=CN=CN=C1 RH-06K-003 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ACI-NI-00262 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.3 COC1=CC=C(C(N)=S)C=C1 ACI-NI-00263 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=N1 ACI-NI-00765 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=N1 ACI-04575 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.21 CC1=C(C)C=C(C(=N)N)C=C1 ACI-03942 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.21 CC1=CC=C(C(N)=S)C=C1F WS-04A-009 [0,1,0,0,0,0|3,0,0]=4 41 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 42 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 ACI-00869 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 ACI-00122 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.21 O=C(O)C1=CC(Cl)=C(O)N=C1 ACI-01690 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.22 CC1=CC=C(\C(N)=N\O)C=N1 ACI-02491 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SB-07E-003 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.22 NNC(=O)C1=CC=C(Cl)N=C1 ACI-02020 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.22 N\C(=N/O)C1=CN=C(Cl)C=C1 ACI-NI-00202 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.166 CC(=O)C1=CN=C(N)N=C1C ACI-00090 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 ACI-05353 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.166 O=C(O)C1=CC=C(O)N=C1Cl ACI-00424 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.35 CC1=NC(C(=N)N)=CS1 ACI-00242 [0,0,0,0,1,0|3,0,0]=4 61 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.35 CC1=NC(C(N)=S)=CS1 ACI-00324 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.35 CN1C=CC(C(=O)Cl)=N1 RH-07B-006 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.35 CN1C=CC(C(N)=O)=N1 ACI-05417 [0,0,0,0,1,0|3,0,0]=4 69 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [0,0,0,0,0,1|3,0,0]=4 70 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.3 N#CC1=CC=C(CBr)N=C1 ACI-00463 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.3 N#CC1=CC=C(CO)N=C1 ACI-04982 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.25 CC1=CC=C(C#N)C(Cl)=N1 ACI-01441 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.25 CC1=CC=C(C#N)C(O)=N1 ACI-NI-00169 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.176 O=CC1=CC(Br)=C(Cl)N=C1 ACI-00868 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.15 N\C(=N/O)C1=CC=CN=C1 ACI-00002 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.61 CC1=C(C(N)=O)C=NC=C1 JM-11J-002 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.61 NC(=O)C1=CC=CN=C1Cl ACI-05357 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.61 NC(=O)C1=CC=CN=C1F ACI-05446 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl ACI-NI-00466 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.61 O=C(Cl)C1=CC=CN=C1F ACI-03845 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 ACI-00044 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.113 N=C(N)C1=CC(Br)=CN=C1 RH-06K-004 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 ACI-00462 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.113 O=C(Cl)C1=CC(F)=CN=C1 ACI-05622 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.14 COC(=O)C1=CC(C)=NN1 ACI-00027 [0,1,0,0,1,0|2,0,0]=4 98 B10R1.14 COC(=O)C1=CN=C(C)S1 ACI-01275 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.14 COC(=O)C1=COC(C)=N1 ACI-02460 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 ACI-05058 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.5 COC(=O)C1=CC=C(CBr)N=C1 ACI-00476 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 ACI-05864 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 RH-06F-002 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=N1 RH-10H-002 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.452 CSC1=CC=C(C(C)=O)C(Cl)=C1 ACI-01609 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.9 CNS(=O)(=O)C1=CC=C(C)N=C1 ACI-06115 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 ACI-00135 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 RH-12K-001 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.367 COC(=O)C1=CN=C(F)C(Cl)=C1 RH-12B-001 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.367 COC(=O)C1=CN=C(O)C(I)=C1 ACI-05549 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 ACI-00479 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.16 CCOC(=O)C1=CC=C(N)N=C1 RH-05K-012 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O ACI-05673 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl ACI-00873 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.1703 COC(=O)C1=CC=C(F)N=C1F ACI-00472 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(Cl)=N1 ACI-NI-00173 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(O)=N1 ACI-NI-00172 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.1000 CC1=CC(C)=C(C(N)=S)C(O)=N1 ACI-NI-00174 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.1000 CC1=CC(C)=NC(O)=C1C(=O)O ACI-NI-00064 [0,2,0,0,0,0|2,0,0]=4 120 B12R2.606 CC1=CC=C2N=C(N)NC2=N1 ACI-04390 [0,0,0,1,0,1|2,0,0]=4 121 B12R2.612 CC1=NC2=C(C=C1)C(N)=NN2 ACI-02592 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [1,0,0,0,1,0|2,0,0]=4 126 B8R1.1 CN1C=C(C=O)C=N1 ACI-01990 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [1,0,0,0,1,0|2,0,0]=4