0 B9R1.35 CC1=CSC(C(C)C)=N1 27529 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.35 CC1=NC(C(C)N)=CS1 17872 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.1 CC1=CNC(C=O)=N1 18048 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.1 CC1=CSC(CO)=N1 26246 [1,0,0,0,0,0|1,0,0]=2 4 B8R1.1 CC1=NC(CN)=CS1 17362 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.1 CCC1=NC(C)=CN1 26930 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.1 CN1C=NC(CCl)=N1 18896 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 CSC1=NC(N)=NS1 24935 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.1 O=CC1=NC(Br)=CS1 24021 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.7 CC(=O)C1=NC=CS1 24493 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.7 CC(C)C1=NC=CN1 27377 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.7 CC(N)C1=CSC=N1 18534 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 NC(=S)C1=NC=CS1 19513 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.7 O=C(O)C1=NC=CS1 17814 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.31 CC(C)C1=CSC(C=O)=N1 26619 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.31 CC(C)C1=NC(C=O)=CO1 26531 [0,1,0,0,0,0|0,1,1]=3 16 B10R1.31 CC(C)C1=NOC(CN)=C1 20651 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.58 CC(C)C1=NC(Br)=C(Br)N1 24295 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.359 CC(C)C1=NC(C)(C)CO1 24306 [0,1,0,0,0,0|0,1,2]=4 19 B10R1.13 CC(=O)C1=CC=C(C)C=N1 17579 [0,0,0,0,0,1|2,0,1]=4 20 B10R1.13 CC(C)C1=CC=C(I)C=C1 27365 [0,0,0,0,0,1|3,0,0]=4 21 B10R1.13 CC1=CC=C(C(C)C)C=C1 27775 [0,0,0,0,0,1|2,0,0]=3 22 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [0,0,0,0,0,1|3,0,0]=4 23 B10R1.13 CC1=CC=C(C(C)N)N=C1 18435 [0,0,0,0,0,1|2,0,0]=3 24 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.113 CC(=O)C1=CC=CC(C)=N1 17414 [0,0,0,0,0,1|2,0,1]=4 26 B10R1.113 CC1=CC=NC(C(C)N)=C1 18431 [0,0,0,0,0,1|3,0,0]=4 27 B7R1.1 CCC1=NC=CN1 26929 [2,0,0,0,0,0|1,0,0]=3 28 B7R1.1 CNC1=CC=CS1 29398 [2,0,0,0,0,0|2,0,0]=4 29 B7R1.1 ClCC1=NC=CO1 18709 [2,0,0,0,0,0|1,1,0]=4 30 B7R1.1 NCC1=NC=CN1 17521 [2,0,0,0,0,0|2,0,0]=4 31 B7R1.1 NCC1=NC=CN1 18174 [2,0,0,0,0,0|2,0,0]=4 32 B7R1.1 NCC1=NC=CS1 19376 [2,0,0,0,0,0|1,0,0]=3 33 B7R1.1 O=CC1=NC=CS1 24611 [2,0,0,0,0,0|1,0,1]=4 34 B7R1.1 OCC1=CC=CS1 14033 [2,0,0,0,0,0|2,0,0]=4 35 B7R1.1 OCC1=NC=CS1 24020 [2,0,0,0,0,0|1,0,0]=3 36 B7R1.2 BrC1=CSC(Br)=N1 28498 [2,0,0,0,0,0|2,0,0]=4 37 B7R1.2 CC1=CNC(C)=N1 27471 [2,0,0,0,0,0|1,0,0]=3 38 B7R1.2 CC1=CSC(Br)=N1 17973 [2,0,0,0,0,0|1,0,0]=3 39 B7R1.2 CC1=CSC(Cl)=N1 18699 [2,0,0,0,0,0|1,0,0]=3 40 B7R1.2 CC1=NSC(N)=N1 28479 [2,0,0,0,0,0|2,0,0]=4 41 B7R1.2 NC1=NC(Br)=CS1 20249 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.7 CNCC1=CSC(C)=N1 18205 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.11 O=C(CBr)C1=NC=CS1 26195 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 01724 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.266 CC(C)C1=NC(C=O)=CC=N1 26639 [0,1,0,0,0,1|1,0,1]=4 46 B11R1.48 CN(C)C1=NC(Cl)=C(C=O)S1 26575 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.124 CNCC1=CSC(C(C)C)=N1 29025 [0,2,0,0,0,0|0,0,0]=2 48 B9R1.2 CC1=NC(CCl)=CC=C1 28539 [1,0,0,0,0,1|2,0,0]=4 49 B9R1.2 CC1=NC(CN)=CC=C1 17766 [1,0,0,0,0,1|2,0,0]=4 50 B9R1.2 CCC1=NC(C)=CC=C1 27484 [1,0,0,0,0,1|1,0,0]=3 51 B9R1.2 COC1=CC=CC(C)=N1 28841 [1,0,0,0,0,1|2,0,0]=4