0 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 CC(=O)C1=CC=C(Br)O1 BB32-1375 [0,0,0,1,0,0|2,0,0]=3 2 B9R1.35 CC(=O)C1=CN=C(C)S1 BB32-2648 [0,0,0,1,0,0|2,0,0]=3 3 B9R1.35 CC(=O)C1=CNC(C)=C1 BB32-3505 [0,0,0,1,0,0|1,0,1]=3 4 B9R1.35 CC(=O)C1=CSC(Br)=C1 BB32-3092 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.35 CC(=O)C1=NC(Br)=CS1 BB31-4111 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.35 CC1=CC=C([N+](=O)[O-])O1 BB17-0710 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.35 CC1=NC(C(=O)O)=CO1 BB52-2189 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.35 CC1=NC(C(N)=O)=CS1 BB32-1502 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.35 CC1=NC=C(C(=O)O)O1 BB31-2190 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.35 NC(=O)C1=CC=C(Cl)S1 BB31-7647 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.35 O=C(O)C1=CC=C(F)S1 BB31-4908 [0,0,0,1,0,0|3,0,0]=4 13 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,0,0,0,1,0|2,0,1]=4 14 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [0,0,0,0,1,0|2,0,0]=3 15 B8R0.23 CC(=O)C(=O)OC(C)C BB31-7341 [0,1,0,0,1,0|1,0,1]=4 16 B10R0.3 CCOC(=O)\C=C\CN(C)C BB31-9011 [0,2,0,0,0,0|1,0,1]=4 17 B8R1.1 C(=O)C1=CC=C(F)S1 BB05-4502 [1,0,0,1,0,0|2,0,0]=4 18 B8R1.1 CC1=NC(C=O)=CO1 BB52-2373 [1,0,0,1,0,0|2,0,0]=4 19 B8R1.1 CN1C=CC(C=O)=C1 BB32-1972 [1,0,0,1,0,0|1,0,1]=4 20 B8R1.1 O=CC1=CC=C(Br)N1 BB31-7304 [1,0,0,1,0,0|2,0,0]=4 21 B8R1.7 CC(=O)C1=CC=NO1 BB31-6420 [1,0,0,1,0,0|2,0,0]=4 22 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [1,0,0,1,0,0|2,0,0]=4 23 B8R1.3 CC1=CC=C(C)N=N1 BB31-3200 [0,0,0,1,1,0|2,0,0]=4 24 B10R1.54 CC(=O)NC1=CC=C(Br)S1 BB31-7020 [0,0,0,1,0,1|2,0,0]=4 25 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 BB31-8594 [0,0,0,1,0,1|1,0,1]=4 26 B10R1.113 CC(=O)C1=CC(F)=NC=C1 BB31-8727 [0,0,0,1,0,1|1,0,1]=4 27 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 BB32-0630 [0,0,0,1,0,1|2,0,0]=4 28 B10R1.113 CC(=O)C1=CC=CC(F)=N1 BB31-7596 [0,0,0,1,0,1|2,0,0]=4 29 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 BB31-1715 [0,0,0,1,0,1|2,0,0]=4 30 B10R1.113 CC(=O)C1=NC(=N)NC=C1 BB31-8729 [0,0,0,1,0,1|2,0,0]=4 31 B10R1.113 CC(=O)C1=NC(N)=CC=C1 BB31-9363 [0,0,0,1,0,1|2,0,0]=4 32 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 BB31-8955 [0,0,0,1,0,1|1,0,1]=4 33 B10R1.13 CC(=O)C1=CN=C(C)N=C1 BB31-2353 [0,1,0,1,0,0|1,0,1]=4 34 B10R1.13 CC(=O)C1=CN=C(N)C=C1 BB31-3878 [0,1,0,1,0,0|1,0,1]=4 35 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [0,1,0,1,0,0|1,0,1]=4 36 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 BB31-5080 [0,1,0,1,0,0|2,0,0]=4 37 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [0,1,0,1,0,0|1,0,1]=4 38 B10R1.14 COC(=O)C1=CC(C)=CN1 BB32-1368 [0,1,0,1,0,0|1,0,1]=4 39 B10R1.14 COC(=O)C1=CC=C(Cl)O1 BB31-6232 [0,1,0,1,0,0|2,0,0]=4 40 B10R1.14 COC(=O)C1=CNC(C)=C1 BB32-1910 [0,1,0,1,0,0|1,0,1]=4 41 B10R1.14 COC(=O)C1=CNC(C)=N1 BB31-7210 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.14 COC(=O)C1=NC=C(C)O1 BB31-1107 [0,1,0,1,0,0|2,0,0]=4 43 B10R1.31 COC1=CC=C(C(=O)O)S1 BB31-4536 [0,1,0,1,0,0|2,0,0]=4 44 B10R1.31 CSC1=CC=C(C(=O)O)S1 BB31-4118 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.194 CC1=CC=C(C(=O)O)N1C BB31-8717 [0,1,0,1,0,0|1,0,0]=3 46 B10R1.194 CC1=CNC(C(=O)O)=C1C BB31-4790 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.194 CC1=CSC(C(=O)O)=C1C BB31-6323 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 BB31-6726 [0,1,0,1,0,0|1,0,1]=4 49 B10R1.58 CC(=O)C1=CC(Cl)=C(Br)S1 BB31-0954 [0,1,0,1,0,0|2,0,0]=4