0 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [1,0,0,0,0,0|2,0,1]=4 1 B10R1.3 COC1=CN=C(C=O)N=C1 P10965 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.3 COC1=NN=C(C=O)C=C1 P20548 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.3 O=CC1=NC=C(CO)C=N1 AC2016 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.4 CC(C)OC1=NC=C(CCl)C=C1 78981 [0,1,0,0,0,0|2,0,1]=4 5 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13086 [0,1,0,0,0,0|3,0,0]=4 6 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 D79835 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.71 COC1=CC=C(CCCCl)C=C1 D75832 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.113 CCCC1=NC=C(C(=O)O)C=C1 AC9553 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.44 C#CC1=CC2=C(C=C1)CCC2 C12642 [0,0,0,1,0,0|2,0,1]=4 10 B12R2.44 O=CC1=CC2=C(C=C1)CCO2 94696 [0,0,0,1,0,0|2,0,0]=3 11 B12R2.44 O=CC1=CC2=C(C=C1)NCC2 F16225 [0,0,0,1,0,0|1,0,0]=2 12 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 AC3295 [0,0,0,1,0,0|2,0,1]=4 13 B12R2.44 O=CC1=CN=C2OC=CC2=C1 98457 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.1 CC1=CN=C(C=O)N=C1 38637 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14339 [1,1,0,0,0,0|2,0,0]=4 17 B11R1.192 CCOC1=CC(Cl)=C(N)C=C1 Y14111 [1,1,0,0,0,0|1,0,0]=3 18 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [1,1,0,0,0,0|1,0,0]=3 19 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 D79974 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 I11173 [1,1,0,0,0,0|1,0,1]=4 21 B13R1.35 CC(C)OC1=CC(F)=C(C=O)C=C1 79320 [0,2,0,0,0,0|0,0,0]=2 22 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 D96432 [0,2,0,0,0,0|1,0,1]=4 23 B13R1.585 O=C(O)C1=NC=C(OC(F)F)C=C1 W19244 [0,2,0,0,0,0|2,0,0]=4 24 B13R1.139 CCOC1=CC=C([C@H](C)NC)C=C1 Y13618 [0,2,0,0,0,0|1,0,1]=4 25 B13R1.139 CCOC1=CC=C([C@H](C)NC)C=C1 Y14156 [0,2,0,0,0,0|1,0,1]=4 26 B13R1.187 CCC(C)(C)C1=CC=C(C=O)C=C1 22884 [0,2,0,0,0,0|1,0,0]=3 27 B13R1.537 N[C@@H](CO)C1=CC=C(C(=O)O)C=C1 Y13818 [0,2,0,0,0,0|2,0,0]=4 28 B13R1.537 N[C@@H](CO)C1=CC=C(C(=O)O)C=C1 Y13819 [0,2,0,0,0,0|2,0,0]=4 29 B13R1.1249 C#COC1=C(OC)C=C(C=O)C=C1 F51885 [0,2,0,0,0,0|0,0,2]=4 30 B13R1.2901 CCOC1=C(I)C=C(C#N)C(Cl)=C1 D74124 [0,2,0,0,0,0|1,0,1]=4 31 B11R2.191 O=CC1=CC=C2CCCN12 Y14714 [0,0,0,1,1,0|2,0,0]=4 32 B13R2.57 O=CC1=CC2=C(C=C1)CCCO2 94699 [0,1,0,1,0,0|1,0,0]=3 33 B13R2.57 O=CC1=CC2=C(C=C1)CNCC2 72318 [0,1,0,1,0,0|1,0,0]=3 34 B13R2.57 O=CC1=NN=C2OCCOC2=C1 AT15328 [0,1,0,1,0,0|2,0,0]=4