0 B10R1.58 CC1=CC(C(=O)O)=NN1C ACI-NI-00041 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 ACI-04651 [0,0,0,0,0,0|0,3,0]=3 2 B9R1.23 O=CC1=CC(Br)=C(Br)O1 ACI-04650 [1,0,0,0,0,0|0,3,0]=4 3 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.35 CC1=CC(C(=O)O)=NN1 ACI-NI-00015 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 CC1=CC(C(=O)O)=NO1 ACI-NI-00050 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 CN1C=NC(C(=O)O)=C1 ACI-00207 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 NC(=O)C1=CC(Br)=CO1 JM-10G-001 [1,0,0,0,0,0|1,2,0]=4 15 B9R1.35 NC(=O)C1=CC=C(Br)O1 ACI-05421 [1,0,0,0,0,0|1,2,0]=4 16 B9R1.35 NC(=O)C1=CN=C(Cl)S1 ACI-05438 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.35 NC1=NC(C(=O)O)=CS1 ACI-00577 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 ACI-02130 [1,0,0,0,0,0|1,2,0]=4 19 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [1,0,0,0,0,0|0,2,0]=3 20 B9R1.35 O=C(O)C1=CSC(Br)=N1 ACI-00578 [1,0,0,0,0,0|2,1,0]=4 21 B9R1.35 O=C(O)C1=NNC(O)=C1 SB-04E-001 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.48 CC1=C(C=O)SC(C(=O)O)=C1 ACI-06397 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.79 NS(=O)(=O)C1=CC(Cl)=C(Br)S1 ACI-04560 [0,1,0,0,0,0|1,1,1]=4 24 B11R1.79 O=S(=O)(Cl)C1=CC(Cl)=C(Br)S1 ACI-02395 [0,1,0,0,0,0|1,1,1]=4 25 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 ACI-05401 [0,0,0,0,0,1|2,1,0]=4 26 B11R1.21 NC(=O)C1=CC=C(Cl)C(Br)=C1 ACI-05400 [0,0,0,0,0,1|2,1,0]=4 27 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 RJC-03C-003 [0,0,0,0,0,1|2,1,0]=4 28 B11R1.21 O=C(Cl)C1=CC(Br)=C(Cl)C=C1 ACI-01748 [0,0,0,0,0,1|2,1,0]=4 29 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Br)C=C1 ACI-01750 [0,0,0,0,0,1|2,1,0]=4 30 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 ACI-00869 [0,0,0,0,0,1|1,1,0]=3 31 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 ACI-00122 [0,0,0,0,0,1|2,1,0]=4 32 B11R1.21 O=C(O)C1=CC(Cl)=C(O)N=C1 ACI-01690 [0,0,0,0,0,1|2,0,0]=3 33 B11R1.21 O=C(O)C1=CC=C(O)C(I)=C1 ACI-02694 [0,0,0,0,0,1|2,1,0]=4 34 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 ACI-NI-00398 [0,0,0,0,0,1|2,0,0]=3 35 B11R1.74 NC(=O)C1=CC(Cl)=NC(Cl)=C1 ACI-05360 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.74 O=C(Cl)C1=CC(Cl)=NC(Cl)=C1 ACI-00299 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 ACI-01834 [0,0,0,0,0,1|1,0,0]=2 38 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.1 O=CC1=CC(I)=CS1 ACI-02692 [2,0,0,0,0,0|0,1,0]=3 41 B8R1.1 O=CC1=NC=C(Cl)S1 JM-09F-001 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.18 CC1=C(Cl)SC(Cl)=C1 ACI-04717 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.7 N=C(N)C1=CC=CS1 ACI-NI-00211 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [2,0,0,0,0,0|1,1,0]=4 45 B8R1.7 NC(=O)C1=CC=NS1 ACI-05371 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.7 NC(=O)C1=NC=CS1 ACI-05426 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.7 NC(=S)C1=CC=CS1 ACI-NI-00215 [2,0,0,0,0,0|1,1,0]=4 48 B8R1.7 O=C(Cl)C1=NC=CS1 ACI-02388 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [2,0,0,0,0,0|1,1,0]=4 50 B8R1.7 O=C(O)C1=NC=CS1 ACI-02389 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.7 O=C(O)C1=NNC=C1 ACI-02623 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.7 O=C(O)C1=NOC=C1 ACI-05095 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.7 O=C(O)C1=NSC=C1 ACI-NI-00755 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.14 COC(=O)C1=CC(Br)=CN1 ACI-00657 [1,1,0,0,0,0|1,1,0]=4 55 B10R1.14 COC(=O)C1=CC=C(Br)S1 ACI-02359 [1,1,0,0,0,0|0,1,0]=3 56 B10R1.14 COC(=O)C1=CN=C(C)S1 ACI-01275 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.55 NS(=O)(=O)C1=CC=C(Cl)S1 ACI-04522 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)S1 ACI-00360 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 ACI-00579 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.59 CC1=C(C(N)=O)SC(Cl)=N1 ACI-05372 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 ACI-00246 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 JM-10G-003 [1,1,0,0,0,0|1,1,0]=4 63 B10R1.194 CC1=NSC(C(=O)O)=C1Br ACI-NI-00727 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.194 NC(=O)C1=C(Cl)C(Cl)=NS1 ACI-00526 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.194 O=C(O)C1=C(Cl)C(Cl)=NS1 ACI-00540 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 RH-14B-002 [0,1,0,0,0,1|1,1,0]=4 67 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 RH-12K-001 [0,1,0,0,0,1|1,0,0]=3 68 B12R1.367 COC(=O)C1=CN=C(F)C(Cl)=C1 RH-12B-001 [0,1,0,0,0,1|1,1,0]=4 69 B12R1.367 O=C(CBr)C1=CC=C(Cl)C(Cl)=C1 ACI-01710 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.367 O\N=C(/Cl)C1=CC(Cl)=C(Cl)C=C1 ACI-00405 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 ACI-01754 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.358 NNC(=O)C1=CC(Cl)=NC(Cl)=C1 RH-04L-050 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.63 COC(=O)C1=CC(C)=C(C=O)S1 ACI-06398 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.111 CC(=O)C1=CC([N+](=O)[O-])=C(Cl)S1 ACI-02002 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 ACI-00312 [0,0,1,1,0,0|2,0,0]=4 76 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 ACI-01264 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.8 C(=O)C1=CC(Cl)=CC(Cl)=C1 ACI-01694 [1,0,0,0,0,1|1,0,0]=3 78 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 ACI-01693 [1,0,0,0,0,1|1,0,1]=4