0 B9R1.22 CC1=CC(C=O)=C(C)N1 BB_SC-05221 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.22 CC1=NN(C)C=C1C=O BB_SC-03694 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.1 CC1=CC=C(C=O)N1 BB_SC-08168 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.1 CC1=CC=C(C=O)O1 BB_SC-08898 [1,0,0,0,0,0|2,1,0]=4 4 B8R1.1 NC1=NC=C(C=O)S1 BB_SC-04878 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.1 O=CC1=CC=C(Br)S1 BB_SC-07348 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.1 O=CC1=CN=C(Br)S1 BB_SC-09299 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.11 CC1=C(C=O)N=CN1 BB_SC-11224 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.11 CC1=C(C=O)SC=C1 BB_SC-02989 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.11 CC1=C(CO)NC=N1 BB_SC-01730 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.11 CN1N=CC=C1C=O BB_SC-10382 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.18 CC1=C(C)SC(Br)=N1 BB_SC-05900 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.18 CC1=CC(C)=NN1C BB_SC-04032 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.18 CC1=NC(Br)=C(Br)N1 BB_SC-10160 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.18 CC1=NN(C)C(N)=C1 BB_SC-03663 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.18 CC1=NN(C)C=C1Br BB_SC-06367 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.18 CC1=NN(C)C=C1N BB_SC-03661 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.35 CCN1C=C(C=O)C(C)=N1 BB_SC-03695 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB_SC-00565 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB_SC-10958 [0,1,0,0,0,0|1,0,1]=3 20 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 BB_SC-02829 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 BB_SC-00668 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 BB_SC-10112 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 BB_SC-11610 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BB_SC-02529 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 BB_SC-11243 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 BB_SC-02514 [0,1,0,0,0,0|1,1,0]=3 27 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 BB_SC-05319 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.59 CC1=NN(C)C=C1C(=O)O BB_SC-05011 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.256 CC1=C(C)C(C=O)=C(C)N1 BB_SC-07967 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.256 CC1=NN(C)C(C)=C1C=O BB_SC-02519 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.256 N1C(C)=C(Br)C(C=O)=C1C BB_SC-11122 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.256 N1C(C)=C(I)C(C=O)=C1C BB_SC-11128 [0,1,0,0,0,0|2,0,1]=4 33 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [2,0,0,0,0,0|2,0,0]=4 34 B7R1.2 CC1=CN=C(Br)S1 BB_SC-08425 [2,0,0,0,0,0|1,0,1]=4 35 B7R1.2 CC1=CN=C(Cl)S1 BB_SC-08359 [2,0,0,0,0,0|1,0,1]=4 36 B7R1.2 CC1=CN=C(N)S1 BB_SC-07259 [2,0,0,0,0,0|1,0,1]=4 37 B7R1.2 CC1=CNC(C)=N1 BB_SC-07154 [2,0,0,0,0,0|1,0,0]=3 38 B7R1.2 CC1=NN=C(N)S1 BB_SC-00002 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.35 O=C(O)C1=CN=C(Br)S1 BB_SC-05194 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.27 C=CC1=C(C)ON=C1C BB_SC-05476 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.41 CC1=C(C(=O)O)SN=N1 BB_SC-04189 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.48 CC1=C(C=O)SC(N(C)C)=N1 BB_SC-08358 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.50 CNC1=NC(C)=C(C(=O)O)S1 BB_SC-10926 [0,2,0,0,0,0|1,0,0]=3 44 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 BB_SC-05879 [0,2,0,0,0,0|1,0,0]=3 45 B9R1.34 CC1=CC(C)=NC(C)=C1 BB_SC-09443 [0,0,1,1,0,0|1,0,1]=4 46 B9R1.34 CC1=NC(C)=NC(Cl)=C1 BB_SC-06185 [0,0,1,1,0,0|2,0,0]=4 47 B11R2.10 CC1=NC2=C(C=CC=C2)N1 BB_SC-06895 [0,1,0,1,0,0|1,0,1]=4 48 B11R2.10 NC1=NC2=C(C=CC=C2)S1 BB_SC-10670 [0,1,0,1,0,0|1,0,1]=4 49 B11R2.10 SC1=NC2=CC=CC=C2S1 BB_SC-05553 [0,1,0,1,0,0|1,0,1]=4