0 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.6 OB(O)C1=CN=CN=C1 ACI-02373 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,1,0,0,0,0|1,0,2]=4 8 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 ACI-05159 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,1,0,0,0,0|1,0,2]=4 15 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [0,1,0,0,0,0|1,1,1]=4 16 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [0,1,0,0,0,0|1,1,1]=4 17 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,1,0,0,0,0|1,0,2]=4 22 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.15 N\C(=N/O)C1=CC=CC=N1 ACI-NI-00264 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.15 N\C(=N/O)C1=CC=CN=C1 ACI-00002 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.15 N\C(=N\O)C1=CC=NC=C1 ACI-NI-00268 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [0,1,0,0,0,0|1,0,2]=4 27 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [0,1,0,0,0,0|1,0,2]=4 28 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,1,0,0,0,0|1,0,2]=4 29 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,1,0,0,0,0|1,0,1]=3 30 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [0,1,0,0,0,0|1,0,1]=3 32 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [0,1,0,0,0,0|1,0,2]=4 35 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [0,1,0,0,0,0|1,1,1]=4 36 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [0,1,0,0,0,0|1,1,1]=4 37 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 ACI-00044 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,1,0,0,0,0|1,0,2]=4 43 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [0,1,0,0,0,0|1,0,2]=4 44 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [0,1,0,0,0,0|1,0,2]=4 45 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 ACI-NI-00224 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 ACI-NI-00236 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.113 N=C(N)C1=CC=CC(F)=C1 ACI-NI-00233 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [0,1,0,0,0,0|1,0,2]=4 49 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 ACI-NI-00225 [0,1,0,0,0,0|1,1,1]=4 50 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 ACI-NI-00237 [0,1,0,0,0,0|1,1,1]=4 51 B10R1.113 NC(=S)C1=CC=CC(F)=C1 ACI-NI-00234 [0,1,0,0,0,0|1,1,1]=4 52 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 ACI-03964 [0,1,0,0,0,0|1,0,2]=4 54 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 ACI-00312 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.113 O=C(O)C1=CC(F)=NC=C1 ACI-00436 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [0,0,0,0,0,1|2,0,1]=4 58 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [0,0,0,0,0,1|1,1,1]=4 59 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [0,0,0,0,0,1|2,0,1]=4 60 B7R1.3 OC1=CC=CN=N1 ACI-04745 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [1,1,0,0,0,0|0,1,0]=3 66 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [1,1,0,0,0,0|1,0,0]=3 69 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.2 ClCC1=CC(Cl)=NC=C1 ACI-00425 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [1,1,0,0,0,0|1,0,0]=3 74 B9R1.2 OCC1=CC(Cl)=NC=C1 ACI-00423 [1,1,0,0,0,0|1,0,0]=3 75 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,1,0,0,0,0|0,0,0]=2 76 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,1,0,0,0,0|0,0,2]=4 77 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,1,0,0,0,0|1,0,0]=3 78 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [0,1,0,0,0,1|1,0,1]=4 86 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,1,0,0,0,1|1,0,1]=4 87 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,1,0,0,0,1|0,0,2]=4 88 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,1,0,0,0,1|0,0,2]=4 89 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,1,0,0,0,1|0,0,2]=4 90 B11R1.19 CC(C)(C)C1=CC=[N+]([O-])C=C1 FD-10E-010 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,2,0,0,0,0|0,0,2]=4 92 B11R1.21 O=C(O)C1=CC=C(O)C(I)=C1 ACI-02694 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 ACI-NI-00220 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 ACI-01635 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 ACI-NI-00229 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,2,0,0,0,0|0,0,2]=4 98 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 ACI-NI-00061 [0,2,0,0,0,0|1,0,1]=4 99 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 ACI-06402 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.12 C(C#N)(NC)C1=CC=CC=C1 ACI-NI-00463 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.12 N#C\C(=C/O)C1=CC=CC=C1 ACI-04944 [0,2,0,0,0,0|0,0,2]=4 102 B11R1.23 CC(C=O)C1=CC=CC(Br)=C1 ACI-05596 [0,2,0,0,0,0|0,0,1]=3 103 B11R1.23 CC1=CC=CC(\C(N)=N\O)=C1 ACI-00825 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.23 NCC(=O)C1=CC(Cl)=CC=C1 SB-05H-089 [0,2,0,0,0,0|0,0,2]=4 105 B11R1.23 N\C(=N/O)C1=CC=CC(Br)=C1 ACI-NI-00223 [0,2,0,0,0,0|1,0,1]=4 106 B11R1.23 N\C(=N/O)C1=CC=CC(Cl)=C1 ACI-NI-00235 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.23 N\C(=N/O)C1=CC=CC(F)=C1 ACI-NI-00232 [0,2,0,0,0,0|1,0,1]=4 108 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 ACI-01709 [0,2,0,0,0,0|0,0,2]=4 109 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 ACI-01713 [0,2,0,0,0,0|0,0,2]=4 110 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,2,0,0,0,0|0,0,2]=4 111 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,2,0,0,0,0|0,0,2]=4 112 B11R1.155 CC(C)(C)C1=CC(Cl)=NC=C1 ACI-01000 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.155 CC(C)(C)C1=CC(N)=CC=C1 SB-05K-002 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.53 COC1=CC=CC=C1C(C)=O ACI-05712 [0,2,0,0,0,0|0,0,2]=4 115 B11R1.159 O=C(O)C1=CC=CC(I)=C1F ACI-06373 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.266 CC(C)C1=CC=NC(C#N)=C1 ACI-05160 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.266 COC1=CC(C(C)O)=NC=C1 ACI-05093 [0,2,0,0,0,0|1,0,0]=3 118 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [0,0,0,1,0,1|0,1,1]=4 119 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,1,0,1,0,0|0,0,1]=3 120 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,1,0,1,0,0|0,1,1]=4 121 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,1,0,1,0,0|2,0,0]=4 122 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [0,1,0,1,0,0|1,0,1]=4 123 B11R2.239 C1=CC(C2CNC2)=CC=N1 ACI-02449 [0,1,0,1,0,0|2,0,0]=4 124 B11R2.239 C1=CN=C(C2CNC2)C=C1 ACI-02447 [0,1,0,1,0,0|2,0,0]=4 125 B11R2.239 C1=CN=CC(C2CNC2)=C1 ACI-02435 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.1 NCC1=CSC=C1 ACI-00305 [1,0,0,0,1,0|2,0,0]=4 127 B7R1.1 OCC1=CN=CN1 ACI-01502 [1,0,0,0,1,0|2,0,0]=4 128 B7R1.1 OCC1=CN=CS1 ACI-00689 [1,0,0,0,1,0|2,0,0]=4 129 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,0,0,0,0,2|0,0,2]=4