0 B11R1.266 COC1=CC=CC(C(C)=O)=C1 YH08564 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.266 COC1=CC=CC(C(C)C)=N1 YH66698 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.266 COC1=CC=CC([C@@H](C)N)=C1 YH04820 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 CC(C)C1=CC(Br)=CC=C1 HL2984 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.113 CC(C)C1=CC(O)=CC=C1 RT10578 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.113 CC(C)C1=CC=CC(N)=C1 XJ2891 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.113 CC(C)C1=CC=CC(N)=N1 YH18705 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.113 CC(C)C1=NC(Cl)=CC=C1 YH27840 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.113 CC1=CC(N(C)C)=CC=C1 LL0511 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.172 C(=O)C1=CC=CC(OC)=N1 YH06246 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.172 CCC1=CC=CC(CC)=C1 JZ5691 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.172 COC1=CC=CC(CBr)=C1 HL0466 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.172 COC1=CC=CC(CN)=C1 HL2884 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.172 COC1=CC=CC(CO)=C1 LT2556 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.172 COC1=CC=CC(OC)=N1 LT0197 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.172 COC1=CC=NC(OC)=N1 JZ2329 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.172 COC1=CN=CC(OC)=N1 JZ2592 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.258 CC(C)C1=CC=CC(C(C)C)=C1 HL1291 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.258 CC(O)C1=CC=CC(C(C)O)=N1 LT5806 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 YH32670 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.31 CC(C)C1=NC(C=O)=CS1 YH32070 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.31 CC(C)C1=NC(CCl)=CS1 RT14548 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.2 CC1=CC=CC(CO)=N1 HL0652 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.2 CCC1=CC(C)=CC=C1 JZ3949 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.2 CCC1=CC=CC(O)=C1 YH10409 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.2 COC1=CC(Br)=CN=C1 LT3954 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.2 COC1=CC=CC(Br)=N1 LQ5038 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.2 COC1=CC=CC(N)=N1 YH41174 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.2 COC1=CC=CC(O)=N1 YH47507 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.2 COC1=CN=CC(I)=C1 LT3416 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.2 COC1=CN=CC(N)=C1 LL1064 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.2 COC1=NC(C)=CC=C1 LT1773 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.2 COC1=NC(C)=CN=C1 LT2164 [2,0,0,0,0,0|0,0,0]=2 33 B9R1.2 CSC1=NC(C)=CN=C1 LT2313 [2,0,0,0,0,0|0,1,0]=3 34 B9R1.6 CC(C)C1=NC=CN=C1 JZ1741 [2,0,0,0,0,0|0,0,0]=2 35 B9R1.6 CN(C)C1=NC=CC=C1 XJ2942 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 YH43504 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.155 CC(C)(C)C1=CC=CC(O)=C1 JZ0328 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.155 CC1=CC=CC(C(C)(C)C)=C1 JZ4382 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.189 COC1=CC=CC(CCN)=C1 XJ2033 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.280 CCC1=CC(OC)=CC=C1I YH98838 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.280 CNC1=NC(OC)=CC=C1N HL4923 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.2430 COC1=N[C@@H](C(C)C)C(OC)=NC1 LX3225 [0,2,0,0,0,0|0,0,2]=4 45 B13R1.2430 COC1=N[C@@H](C(C)C)C(OC)=NC1 XJ6395 [0,2,0,0,0,0|0,0,2]=4 46 B13R1.2430 COC1=N[C@H](C(C)C)C(OC)=NC1 HL3237 [0,2,0,0,0,0|0,0,2]=4 47 B9R1.14 COC1=CSC=C1OC LT0657 [1,0,0,0,1,0|2,0,0]=4 48 B9R1.21 COC1=NC=C(CCl)S1 RT15726 [1,0,0,0,1,0|2,0,0]=4 49 B11R1.3 COC1=CC=C(N(C)C)C=C1 YH14709 [0,0,0,0,1,1|2,0,0]=4 50 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 JZ5490 [0,0,0,0,1,1|2,0,0]=4