0 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P12606 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11109 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.113 C[C@H](N)C1=CC(F)=NC=C1 90835 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 D85248 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14013 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14014 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90541 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y13928 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.2 NCC1=CC=NC(Cl)=N1 P15224 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.2 O=CC1=NC=CC(Cl)=N1 F19651 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 C[C@H](N)C1=NC=NC=C1 F15538 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 D74727 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.23 COC(=O)C1=CN=CC(I)=N1 W19701 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 P20760 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 Y10195 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.74 O=C(O)C1=CC(Cl)=NC(F)=C1 AC8374 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.74 O=C([O-])C1=CC(F)=CC(F)=N1 P17809 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br D72094 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.159 CN1N=CC=C(C(=O)O)C1=O 63166 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.159 O=C(O)C1=C(O)C(F)=NC=C1 D94423 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.167 CC(=O)C1=C(N)N=CC(Cl)=N1 D79879 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.167 CC1=C(C(=O)O)N=C(Cl)N=C1 P18151 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.266 C=CC1=NC=CC(C(=O)O)=C1 AT19513 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.266 CCC1=CC=CC(C(=N)N)=N1 79414 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y12185 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 32100 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 Y11519 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [0,0,0,0,1,0|2,0,1]=4 33 B9R1.35 CC1=COC(C(=O)[O-])=N1 AT25441 [0,0,0,0,1,0|2,0,0]=3 34 B9R1.35 CC1=NC(C(N)=S)=CO1 D79721 [0,0,0,0,1,0|2,1,0]=4 35 B9R1.35 CC1=NSC(C(=O)[O-])=N1 P17953 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.35 NC(=O)C1=CN=C(N)O1 D83519 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [0,0,0,0,1,0|1,0,0]=2 38 B9R1.41 CC(=O)C1=CSC=C1Cl 82933 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 F18201 [0,0,0,0,0,1|3,0,0]=4 40 B8R1.4 FC1=NC=CC(Cl)=N1 P11997 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.4 NC1=NC=CC(F)=N1 P12222 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.2 CC1=C(C=O)C=CN=C1Cl C76531 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.8 CC1=NC(C#N)=CC(Cl)=N1 A11711 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=N1 C72313 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.30 CCC1=C(F)C=NC(Cl)=N1 D72178 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.172 CCC1=CC=CC(NC)=N1 C77377 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.172 COC1=NC(CN)=NC=C1 P10963 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.176 CC1=C(Cl)C=CC(C=O)=N1 D88030 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.61 O=C(O)C1=C(F)C=NC=N1 P13931 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.14 COC(=O)C1=NC=C(C)N1 Y14700 [0,1,0,0,1,0|1,0,1]=4 54 B10R1.31 NCC1=NC=C(C(=O)O)S1 86635 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.59 CN1C=C(F)C(C(=O)O)=N1 97594 [0,1,0,0,1,0|2,0,0]=4 56 B12R1.101 CC(=O)NC1=NC(Cl)=NC(Cl)=N1 AC6444 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.23 CC1=C(Br)C=CC(S(C)(=O)=O)=N1 AT14157 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.367 CNC(=O)C1=NC(N)=C(Br)C=C1 W19538 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.367 COC(=O)C1=CC=C(N)C(I)=N1 52591 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=N1 D94148 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.893 CC(=O)C1=C(N)C(C)=C(O)C=C1 C11739 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.24 COC(=O)C1=C(N)C(Br)=NC=C1 F30315 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.24 COC(=O)C1=C(O)C(Cl)=NC=C1 O11870 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.354 COC(=O)C1=C(Br)C=NC(O)=N1 C76292 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.354 COC(=O)C1=C(Cl)C=NC(Cl)=N1 87856 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.354 COC(=O)C1=C(F)C=NC(N)=C1 90088 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.435 C#CC1=CC=CC(C(=O)OC)=N1 N13245 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.435 COC(=O)C1=CC=NC(SC)=N1 D79892 [0,2,0,0,0,0|0,0,0]=2 69 B12R1.11 CC1=NC(N(C)C)=CC(C#N)=N1 79407 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.440 COC1=C(F)C(C(=O)O)=CC=N1 W19150 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.258 CC(=O)C1=CC([C@H](C)N)=CC=C1 Y13934 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.258 CN(C)C1=CC=CC(C(=O)O)=N1 AT21864 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.258 O=C(O)C1=CC=CC(C(F)F)=N1 P18646 [0,2,0,0,0,0|2,0,0]=4 74 B10R2.32 O=C1NCC2=C1C=CS2 94719 [0,0,0,1,1,0|2,0,0]=4 75 B12R2.606 CC1=CC2=C(C=NC(Cl)=N2)S1 P20389 [0,0,0,1,0,1|1,1,0]=4 76 B12R2.196 O=C1NCC2=C1C=CN=C2Cl AC1916 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.7 O=C(O)C1=NC=NS1 AC1260 [1,0,0,0,1,0|2,0,0]=4 78 B10R1.18 CC(=O)NC1=NC=NC=C1 78895 [1,0,0,0,0,1|0,0,0]=2