0 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.17 CC1=C(OCC#N)C=CC=C1 ACI-05106 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [0,1,0,0,0,0|1,0,2]=4 14 B11R1.17 N#CCOC1=C(Br)C=CC=C1 ACI-05152 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.17 N#CCOC1=C(F)C=CC=C1 ACI-05141 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.17 N#CCOC1=CC=CC=C1Cl ACI-05096 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.41 CCNC1=NC=CC=C1C#N ACI-00438 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.86 CC1=CC=CC=C1CC(=O)Cl ACI-05798 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.86 NC(=O)CC1=C(I)C=CC=C1 ACI-05460 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.86 NC(=S)CC1=CC=CC=C1Br ACI-NI-00198 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 ACI-05793 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.86 O=C(Cl)CC1=C(I)C=CC=C1 ACI-05161 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.605 CCNC1=C(Br)C=NC=C1N JL-11F-002 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl RH-10J-002 [0,1,0,0,0,0|2,0,0]=3 30 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [0,0,0,1,0,0|1,0,0]=2 32 B11R2.106 BrC1=C2OCCC2=CC=C1 ACI-NI-00707 [0,0,0,1,0,0|2,0,0]=3 33 B11R2.106 OC1=CC=CC2=C1C=CO2 ACI-05784 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.5 OC1=CC=CN=C1F ACI-01438 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.10 CNCC1=NC(Br)=CC=C1 FD-09B-004 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.2 COC1=CC=CC(N)=C1N WS-05L-004 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.2 FC1=C(I)C=CC=C1CBr ACI-05616 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.2 FC1=CC=CC(CBr)=C1Cl ACI-04692 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.2 OCC1=C(Cl)C(F)=CC=C1 ACI-04691 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.2 OCC1=C(F)C(I)=CC=C1 ACI-05609 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.30 CC1=C(CO)C=C(I)C=C1 ACI-05606 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.30 CC1=CC=C(I)C=C1CBr ACI-05613 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.30 ClC1=CC=C(I)C=C1CBr ACI-05612 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.30 N#CC1=CC(F)=CC=C1O ACI-02301 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.30 OCC1=C(Cl)C=CC(I)=C1 ACI-05605 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.30 OCC1=C(F)C=CC(I)=C1 ACI-05604 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.24 COC(=O)C1=C(O)C(N)=CC=C1 ACI-04221 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1O ACI-05675 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.24 COC(=O)C1=CC=CC(F)=C1O ACI-05676 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.24 COC(=O)C1=CC=CC(O)=C1O ACI-05677 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.25 CC1=C(Br)C=CC=C1SCCO ACI-02418 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.69 CC1=CC(Br)=C(SCCO)C=C1 ACI-02407 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.121 COC1=CC=CC=C1OCC#N ACI-05113 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.121 COC1=CC=CC=C1\C=C\CO ACI-05930 [0,2,0,0,0,0|0,0,2]=4 65 B12R1.371 COC(=O)CC1=CC=CC=C1Br ACI-01581 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.75 COC1=CC=CC=C1CC(N)=S ACI-NI-00200 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.77 CCC(=O)C1=CC=CC=C1OC ACI-04020 [0,2,0,0,0,0|0,0,1]=3 68 B12R1.268 CCOC1=CC(N)=CC=C1C#N ACI-03877 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.283 CCOC1=CC=CC=C1C(=N)N RH-07B-001 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.283 N#CCC1=CC=CC=C1C(=O)O ACI-02228 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.233 CC(=O)CC1=C(C)C=C(Cl)C=C1 ACI-05056 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 SB-12E-001 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1O ACI-05682 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O ACI-05673 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O ACI-05670 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.1703 COC(=O)C1=CC=C(O)C=C1O ACI-05671 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1Br ACI-04026 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1Cl ACI-04025 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1F ACI-04021 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.124 CC(C(=O)O)C1=CC=CC=C1O ACI-04385 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.124 CC1=C(C(=O)C(C)Br)C=CC=C1 ACI-04029 [0,2,0,0,0,0|1,0,1]=4 82 B12R1.1009 CC(C)SC1=C(Cl)C=CC=C1N RH-05K-064 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.354 COC(=O)C1=CC(C)=CC=C1O ACI-05681 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O ACI-05678 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.354 COC(=O)C1=CC(I)=CC=C1O ACI-05680 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.3441 COC(=O)C1=C(F)C=CC=C1O ACI-05666 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O ACI-05667 [0,2,0,0,0,0|1,0,1]=4 88 B12R2.1081 CN1CCOC2=CC=CC=C21 ACI-02680 [0,1,0,1,0,0|1,0,0]=3 89 B12R2.1081 NC1=C2OCCOC2=CC=C1 ACI-NI-00705 [0,1,0,1,0,0|1,0,0]=3 90 B12R2.1081 NC1=C2OCCOC2=CC=C1 SB-12L-001 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.1081 S=C1NCCC2=CC=CC=C12 FD-10F-003 [0,1,0,1,0,0|1,1,0]=4 92 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 ACI-03796 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,1,0,1,0,0|1,0,1]=4 95 B12R2.24 OC1=CC=C2OCCNC2=C1 JM-08B-001 [0,1,0,1,0,0|1,0,0]=3 96 B12R2.1 ClCC1=COC2=CC=CC=C12 ACI-05949 [0,1,0,1,0,0|1,0,1]=4 97 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [0,1,0,1,0,0|1,0,1]=4 98 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,1,0,1,0,0|0,0,1]=3 99 B12R2.246 BrC1=CC(Br)=C2OCCC2=C1 RH-07B-005 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [1,0,0,0,1,0|2,0,0]=4