0 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.12 C(C#N)(NC)C1=CC=CC=C1 ACI-NI-00463 [0,1,0,0,0,0|0,0,2]=3 15 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 ACI-01724 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.23 CC(C=O)C1=CC=CC(Br)=C1 ACI-05596 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.23 NCC(=O)C1=CC(Cl)=CC=C1 SB-05H-089 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 ACI-01721 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 ACI-01728 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 ACI-01709 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 ACI-01713 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 ACI-01570 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.222 NNC(=O)C1=CC=CC=C1Br ACI-01722 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.222 NNC(=O)C1=CC=CC=C1F ACI-01726 [0,1,0,0,0,0|2,0,1]=4 28 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,0,0,1,0,0|1,0,2]=4 29 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,0,0,1,0,0|1,0,2]=4 30 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [0,0,0,1,0,0|2,0,1]=4 32 B11R2.239 C1=CC(C2CNC2)=CC=N1 ACI-02449 [0,0,0,1,0,0|1,0,0]=2 33 B11R2.239 C1=CN=C(C2CNC2)C=C1 ACI-02447 [0,0,0,1,0,0|1,0,0]=2 34 B11R2.239 C1=CN=CC(C2CNC2)=C1 ACI-02435 [0,0,0,1,0,0|1,0,0]=2 35 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [0,0,0,0,0,1|1,0,2]=4 36 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,0,0,0,0,1|2,0,1]=4 37 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,0,0,0,0,1|2,0,1]=4 38 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 ACI-05159 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 ACI-NI-00224 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 ACI-NI-00236 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.113 N=C(N)C1=CC=CC(F)=C1 ACI-NI-00233 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 ACI-NI-00225 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 ACI-NI-00237 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.113 NC(=S)C1=CC=CC(F)=C1 ACI-NI-00234 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [1,1,0,0,0,0|0,0,2]=4 63 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,1,0,0,0,0|0,0,1]=3 66 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.478 C(C#N)(C1=CC=CC=C1)N(C)C ACI-00264 [0,2,0,0,0,0|0,0,2]=4 68 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.124 CC(C(=O)O)C1=CC=CC=C1O ACI-04385 [0,2,0,0,0,0|1,0,1]=4 70 B10R2.136 C1=CN(C2CNC2)N=C1 ACI-03812 [0,0,0,1,1,0|2,0,0]=4 71 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,0,0,1,0,1|1,0,1]=4 72 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,0,0,1,0,1|1,0,1]=4 73 B12R2.2403 CC1(C)CNC2=CC=CC=C21 ACI-02737 [0,1,0,1,0,0|0,0,0]=2 74 B12R2.2 C1=CC=C(N2CCCC2)C=C1 ACI-05642 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.1081 CN1CCOC2=CC=CC=C21 ACI-02680 [0,1,0,1,0,0|2,0,0]=4 76 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [0,1,0,1,0,0|1,0,0]=3 77 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 JM-09H-001 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [1,0,0,0,1,0|1,0,0]=3