0 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 C=CCNC1=CC=CN=C1 ACI-02637 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [0,0,0,0,0,0|0,1,0]=1 4 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.1 CC1=CC=C(OCC#N)C=C1 ACI-05112 [0,1,0,0,0,0|1,0,1]=3 7 B11R1.1 CC1=CC=C(\C=C\CO)C=C1 ACI-05923 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.1 N#CCOC1=CC=C(Br)C=C1 ACI-05158 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 ACI-05101 [0,1,0,0,0,0|1,0,1]=3 10 B11R1.1 N#CCOC1=CC=C(F)C=C1 ACI-05147 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 ACI-05929 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.1 OC\C=C\C1=CC=C(Cl)C=C1 ACI-05922 [0,1,0,0,0,0|1,0,1]=3 13 B11R1.1 OC\C=C\C1=CC=C(F)C=C1 ACI-05928 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.17 CC1=C(OCC#N)C=CC=C1 ACI-05106 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.17 N#CCOC1=C(Br)C=CC=C1 ACI-05152 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.17 N#CCOC1=C(F)C=CC=C1 ACI-05141 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.17 N#CCOC1=CC=CC=C1Cl ACI-05096 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.24 CC1=CC(\C=C\CO)=CC=C1 ACI-05924 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.24 CC1=CC=CC(CCCO)=N1 ACI-01649 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.24 CC1=CC=CC(OCC#N)=C1 ACI-05107 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.24 N#CCOC1=CC(Br)=CC=C1 ACI-05153 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.24 N#CCOC1=CC(F)=CC=C1 ACI-05146 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.24 N#CCOC1=CC=CC(Cl)=C1 ACI-05100 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.24 OC\C=C\C1=CC=CC(Cl)=C1 ACI-05921 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.24 OC\C=C\C1=CC=CC(F)=C1 ACI-05927 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.28 N#CCOCC1=CC=CC=C1 ACI-04838 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05254 [0,1,0,0,0,0|1,1,0]=3 30 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05268 [0,1,0,0,0,0|1,1,0]=3 31 B11R1.28 OCCOCC1=CC=CC=C1 ACI-15284 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,1,0,0,0,0|0,0,2]=3 37 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [0,1,0,0,0,0|1,0,1]=3 39 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,0,0,1,0,0|1,0,2]=4 40 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [0,0,0,1,0,0|1,0,1]=3 42 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 FD-09D-001 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,1,0,0,0,0|0,1,1]=4 52 B12R1.1 N#CCCOC1=CC=C(F)C=C1 ACI-04357 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.21 CC1=CC=C(OCC(=N)N)C=C1 ACI-05110 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 ACI-05156 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 ACI-05103 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 ACI-05149 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.69 CC1=CC(Br)=C(SCCO)C=C1 ACI-02407 [0,2,0,0,0,0|0,1,0]=3 58 B12R1.71 COC1=CC=C(OCC#N)C=C1 ACI-05119 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.71 N#CC1=CN=C(OCCF)C=C1 ACI-04636 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.385 CC1=CC(SCCO)=CC=C1Br ACI-02414 [0,2,0,0,0,0|0,1,0]=3 61 B12R1.385 CC1=CC=C(SCCO)C=C1Br ACI-02351 [0,2,0,0,0,0|0,1,0]=3 62 B12R1.39 O=S(=O)(CCO)C1=CC=CC=C1 ACI-02410 [0,2,0,0,0,0|0,1,0]=3 63 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.25 CC1=C(Br)C=CC=C1SCCO ACI-02418 [0,2,0,0,0,0|0,1,0]=3 65 B12R1.121 COC1=CC=CC=C1OCC#N ACI-05113 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.121 COC1=CC=CC=C1\C=C\CO ACI-05930 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.125 CC1=C(OCC(=N)N)C=CC=C1 ACI-05104 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.125 N=C(/N)COC1=CC=CC=C1Cl ACI-05097 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.125 N=C(N)COC1=C(Br)C=CC=C1 ACI-05150 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.125 N=C(N)COC1=C(F)C=CC=C1 ACI-05143 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.28 CC1=CC(CSCCN)=CC=C1 ACI-05264 [0,2,0,0,0,0|1,1,0]=4 72 B12R1.28 CC1=CC(CSCCN)=CC=C1 ACI-05278 [0,2,0,0,0,0|1,1,0]=4 73 B12R1.28 NCCSCC1=CC(Br)=CC=C1 ACI-05273 [0,2,0,0,0,0|1,1,0]=4 74 B12R1.28 NCCSCC1=CC(Cl)=CC=C1 ACI-05272 [0,2,0,0,0,0|1,1,0]=4 75 B12R1.28 NCCSCC1=CC(F)=CC=C1 ACI-05271 [0,2,0,0,0,0|1,1,0]=4 76 B12R1.28 NCCSCC1=CC=CC(Br)=C1 ACI-05259 [0,2,0,0,0,0|1,1,0]=4 77 B12R1.28 NCCSCC1=CC=CC(Cl)=C1 ACI-05258 [0,2,0,0,0,0|1,1,0]=4 78 B12R1.28 NCCSCC1=CC=CC(F)=C1 ACI-05257 [0,2,0,0,0,0|1,1,0]=4 79 B12R1.100 CC1=CC(SCCO)=CC(Br)=C1 ACI-02422 [0,2,0,0,0,0|0,1,0]=3 80 B12R1.100 OCCSC1=CC(Br)=CC(Cl)=C1 ACI-02426 [0,2,0,0,0,0|0,1,0]=3 81 B12R1.100 OCCSC1=CC(F)=CC(Cl)=C1 ACI-04612 [0,2,0,0,0,0|0,1,0]=3 82 B12R1.100 OC\C=C\C1=CC(F)=CC(F)=C1 ACI-05933 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.226 CC1=CC=CC(OCC(=N)N)=C1 ACI-05109 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.226 N=C(/N)COC1=CC=CC(Cl)=C1 ACI-05098 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.226 N=C(N)COC1=CC(Br)=CC=C1 ACI-05155 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.226 N=C(N)COC1=CC(F)=CC=C1 ACI-05144 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 ACI-01604 [0,2,0,0,0,0|0,0,1]=3 88 B12R1.382 COC1=CC(OCC#N)=CC=C1 ACI-05118 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.27 N\C(COC1=CC=CC=C1)=N/O FD-11E-002 [0,2,0,0,0,0|0,0,1]=3 90 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 ACI-03796 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,1,0,1,0,0|1,0,1]=4 92 B12R2.24 OC1=CC=C2OCCNC2=C1 JM-08B-001 [0,1,0,1,0,0|1,0,0]=3 93 B12R2.132 CC1=CC=C2ON=C(O)C2=C1 ACI-05661 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.132 OC1=NOC2=CC=C(Cl)C=C21 ACI-05659 [0,1,0,1,0,0|1,0,1]=4 95 B12R2.132 OC1=NOC2=CC=C(I)C=C21 ACI-05660 [0,1,0,1,0,0|1,0,1]=4 96 B12R2.2 C1=CC=C(N2CCCC2)C=C1 ACI-05642 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.1081 CN1CCOC2=CC=CC=C21 ACI-02680 [0,1,0,1,0,0|1,0,0]=3 98 B12R2.1081 NC1=C2OCCOC2=CC=C1 ACI-NI-00705 [0,1,0,1,0,0|0,0,0]=2 99 B12R2.1081 NC1=C2OCCOC2=CC=C1 SB-12L-001 [0,1,0,1,0,0|0,0,0]=2 100 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 ACI-02594 [0,1,0,1,0,0|1,0,1]=4 102 B12R2.196 OC1=NOC2=C(Cl)C=CC=C12 ACI-05654 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.196 OC1=NOC2=C(F)C=CC=C12 ACI-05655 [0,1,0,1,0,0|1,0,1]=4 104 B12R2.196 OC1=NOC2=C(O)C=CC=C12 ACI-05656 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.203 OC1=NOC2=CC=CC(F)=C21 ACI-05647 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.203 OC1=NOC2=CC=CC(O)=C21 ACI-05648 [0,1,0,1,0,0|1,0,1]=4 107 B12R2.612 CC1=CC=C2C(=C1)ON=C2O ACI-05653 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.612 OC1=CC=C2C(=C1)ON=C2O ACI-05651 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 ACI-00381 [0,1,0,1,0,0|1,0,1]=4 110 B12R2.612 OC1=NOC2=CC(Br)=CC=C21 ACI-05662 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.1 ClCC1=COC2=CC=CC=C12 ACI-05949 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [0,1,0,1,0,0|0,0,1]=3 113 B12R2.2403 CC1(C)CNC2=CC=CC=C21 ACI-02737 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [1,0,0,0,1,0|2,0,0]=4