0 B8R1.11 CC1=C(C=O)SN=C1 ACI-NI-00746 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.11 CC1=C(C=O)SN=N1 ACI-00610 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.11 CC1=C(CN)C=CO1 JM-10L-001 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.11 CC1=C(CN)SC=C1 ACI-04730 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.11 CC1=C(CO)OC=C1 ACI-02282 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.11 CN1C=NC=C1C=O ACI-00286 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.11 CN1N=CC=C1C=O ACI-00851 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.11 O=CC1=C(Br)C=CS1 ACI-00955 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.11 O=CC1=C(Br)SC=C1 ACI-01273 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 O=CC1=CC=NO1 ACI-04961 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.1 O=CC1=CC=NS1 ACI-NI-00774 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.1 OCC1=CN=CN1 ACI-01502 [1,0,0,0,0,0|1,0,2]=4 12 B7R1.4 CN1N=CC=C1N RH-05E-001 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.14 COC1=C(C=O)SC=C1 ACI-05570 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.14 COC1=CSC=C1C=O ACI-01992 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.22 CC1=NN(C)C(C#N)=C1 ACI-02163 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.22 CC1=NN(C)C(CCl)=C1 ACI-00853 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.22 CC1=NN(C)C(CO)=C1 ACI-00854 [0,1,0,0,0,0|1,0,2]=4 18 B9R1.27 CC1=C(CO)N(C)N=C1 ACI-04857 [0,1,0,0,0,0|1,0,2]=4 19 B9R1.33 CNCC1=CN=CN1C FD-11A-003 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.41 CC(C)C1=NC=CN1C RH-08B-001 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.41 CC1=C(C(=O)Cl)C=CO1 RH-11J-001 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.41 CC1=C(C(=O)Cl)C=NO1 ACI-NI-00036 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.41 CC1=C(C(=O)O)C=NO1 ACI-NI-00035 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.41 CC1=C(C(=O)O)ON=C1 JL-14G-002 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.41 CC1=C(C(=O)O)SN=C1 ACI-NI-00744 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.41 CC1=C(C(N)=O)C=CO1 RH-11A-003 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.41 CC1=C(C(N)=O)C=NO1 ACI-05350 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.41 CC1=C(C(N)=O)OC=C1 JM-11A-005 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.41 CC1=NSC=C1C(=O)O ACI-00941 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.41 CN1C=NC=C1C(=O)O ACI-00280 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.41 CN1N=CC=C1C(=O)O ACI-02720 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.41 O=C(O)C1=C(Br)C=CS1 ACI-00956 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.132 CC1=NC=C(C=O)N1C JM-08L-002 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.2 O=CC1=CC(Cl)=NC=C1 ACI-00432 [0,0,0,0,0,1|3,0,0]=4 35 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [0,0,0,0,0,1|2,0,0]=3 36 B9R1.15 CC1=C(C#N)C=CN=C1 ACI-02495 [0,0,0,0,0,1|2,0,1]=4 37 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [0,0,0,0,0,1|3,0,0]=4 38 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [0,0,0,0,0,1|2,0,0]=3 39 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [0,0,0,0,0,1|2,0,0]=3 40 B6R1.2 O=C1C=CSN1 ACI-04102 [2,0,0,0,0,0|1,0,0]=3 41 B6R1.2 OC1=CC=NN1 ACI-00667 [2,0,0,0,0,0|1,0,1]=4 42 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [1,1,0,0,0,0|1,0,1]=4 43 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.1 CN1C=NC(C=O)=C1 JM-06D-001 [1,1,0,0,0,0|1,0,1]=4 47 B8R1.1 O=CC1=CC(I)=CS1 ACI-02692 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.1 O=CC1=NC=C(Cl)S1 JM-09F-001 [1,1,0,0,0,0|1,0,1]=4 49 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.7 N=C(N)C1=CC=CS1 ACI-NI-00211 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [1,1,0,0,0,0|1,0,0]=3 52 B8R1.7 NC(=O)C1=CC=NO1 ACI-05366 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.7 NC(=O)C1=CC=NS1 ACI-05371 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.7 NC(=O)C1=NC=CS1 ACI-05426 [1,1,0,0,0,0|1,0,1]=4 57 B8R1.7 NC(=S)C1=CC=CS1 ACI-NI-00215 [1,1,0,0,0,0|1,1,0]=4 58 B8R1.7 O=C(Cl)C1=CC=NO1 ACI-00386 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [1,1,0,0,0,0|2,0,0]=4 60 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.7 O=C(Cl)C1=NC=CS1 ACI-02388 [1,1,0,0,0,0|1,0,1]=4 62 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.7 O=C(O)C1=NC=CS1 ACI-02389 [1,1,0,0,0,0|1,0,1]=4 64 B8R1.7 O=C(O)C1=NNC=C1 ACI-02623 [1,1,0,0,0,0|1,0,1]=4 65 B8R1.7 O=C(O)C1=NOC=C1 ACI-05095 [1,1,0,0,0,0|1,0,1]=4 66 B8R1.7 O=C(O)C1=NSC=C1 ACI-NI-00755 [1,1,0,0,0,0|1,0,1]=4 67 B8R1.18 CC1=CC(C)=NN1C ACI-00025 [1,1,0,0,0,0|1,0,1]=4 68 B8R1.18 CC1=NN(C)C(Cl)=C1 ACI-01470 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.18 CC1=NN(C)C(O)=C1 ACI-01469 [1,1,0,0,0,0|1,0,1]=4 70 B8R1.50 CC1=NC=C(Br)N1C JM-08L-001 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.8 C(=O)C1=CC(Cl)=CC(Cl)=C1 ACI-01694 [0,1,0,0,0,1|2,0,0]=4 72 B10R1.8 O=CC1=CC(Br)=CC(O)=C1 ACI-03939 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.30 O=CC1=CC(Cl)=CC=C1F ACI-00824 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,1,0,0,0,1|2,0,0]=4 75 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [0,1,0,0,0,1|2,0,0]=4 76 B10R1.113 CC1=NC(C(=N)N)=CC=C1 ACI-00468 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.113 NC(=O)C1=NC(F)=CC=C1 ACI-05444 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 ACI-03964 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.113 O=C(Cl)C1=NC(F)=CC=C1 ACI-03839 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.172 N#CC1=CC=CC(C=O)=N1 ACI-04983 [0,1,0,0,0,1|1,0,1]=4 84 B10R1.172 O=CC1=CC=CC(CBr)=C1 ACI-03882 [0,1,0,0,0,1|1,0,0]=3 85 B10R1.20 C=CC1=NC=CC=C1C=O ACI-01425 [0,1,0,0,0,1|1,0,1]=4 86 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [0,1,0,0,0,1|1,0,0]=3 87 B10R1.61 CC1=C(C(N)=O)C=NC=C1 JM-11J-002 [0,1,0,0,0,1|1,0,0]=3 88 B10R1.61 CC1=CC=CN=C1C(=N)N ACI-02503 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.61 CC1=CC=CN=C1C(N)=O ACI-01402 [0,1,0,0,0,1|1,0,0]=3 90 B10R1.61 CC1=CN=CC=C1C(=N)N ACI-02506 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.61 CC1=NC=CN=C1C(=O)O ACI-02629 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 ACI-05458 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.61 NC(=O)C1=CC=CN=C1Cl ACI-05357 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.61 NC(=O)C1=CC=CN=C1F ACI-05446 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.61 NC(=O)C1=CC=NC=C1F ACI-05445 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.61 NC(=O)C1=NC=CC=C1F ACI-05448 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl ACI-NI-00466 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.61 O=C(Cl)C1=CC=CN=C1F ACI-03845 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.61 O=C(Cl)C1=CC=NC=C1F ACI-03843 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.61 O=C(Cl)C1=NC=CC=C1Cl ACI-04861 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.61 O=C(Cl)C1=NC=CC=C1F ACI-03849 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 ACI-00044 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.39 COC1=CSC=C1C(=O)O ACI-00331 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 ACI-NI-00045 [0,2,0,0,0,0|1,0,0]=3 110 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 ACI-NI-00044 [0,2,0,0,0,0|1,0,0]=3 111 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 ACI-05352 [0,2,0,0,0,0|1,0,0]=3 112 B10R1.192 CN1N=CC(N)=C1C(N)=O ACI-06414 [0,2,0,0,0,0|1,0,0]=3 113 B10R1.65 CN1N=CC=C1S(=O)(=O)Cl JM-05F-001 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.65 CN1N=CC=C1S(N)(=O)=O ACI-04537 [0,2,0,0,0,0|2,0,0]=4