0 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14339 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.20 O=C(O)CC1=CN=C(Br)C=C1 AB22208 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.18 CC(=O)NC1=NC=NC=C1 78895 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.4 CC(C)OC1=NC=C(CCl)C=C1 78981 [0,1,0,0,0,0|2,0,1]=4 4 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13086 [0,1,0,0,0,0|2,0,1]=4 5 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 C76186 [0,1,0,0,0,0|3,0,0]=4 6 B12R2.606 NC1=CC2=C(N=C1)NC(=O)C2 C10496 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [0,0,0,0,1,0|3,0,0]=4 8 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [0,0,0,0,1,0|2,0,1]=4 9 B10R1.13 O=[N+]([O-])[13C]1=[13CH][13CH]=[13C](F)[13CH]=[13CH]1 35002 [0,0,0,0,1,0|3,0,0]=4 10 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 79382 [0,0,0,0,0,1|2,0,0]=3 11 B9R1.1 CC1=CN=C(C=O)N=C1 38637 [2,0,0,0,0,0|2,0,0]=4 12 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [2,0,0,0,0,0|2,0,0]=4 13 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 O10873 [1,1,0,0,0,0|2,0,0]=4 14 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 Y13931 [1,1,0,0,0,0|2,0,0]=4 15 B11R1.192 CCOC1=CC(Cl)=C(N)C=C1 Y14111 [1,1,0,0,0,0|1,0,1]=4 16 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [1,1,0,0,0,0|2,0,0]=4 17 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98059 [1,1,0,0,0,0|0,0,2]=4 18 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [0,1,0,0,1,0|0,0,0]=2 19 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT22917 [0,1,0,0,1,0|2,0,0]=4 20 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [0,1,0,0,1,0|0,0,0]=2 21 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 W19243 [0,1,0,0,1,0|2,0,0]=4 22 B11R1.166 CC(=O)C1=NC=C(Br)C=C1Cl D79869 [0,1,0,0,1,0|2,0,0]=4 23 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 D96432 [0,2,0,0,0,0|1,0,1]=4 24 B13R1.2879 COC(=O)CC1=CC(Br)=C(C)C=N1 AC4838 [0,2,0,0,0,0|2,0,0]=4 25 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 64181 [0,2,0,0,0,0|2,0,0]=4 26 B13R1.163 CC1=CC(F)=C([C@@H](N)C(=O)O)C=C1 D85216 [0,2,0,0,0,0|2,0,0]=4 27 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,0,1,1,0,0|2,0,0]=4 28 B11R2.36 CC1=CC2=C(C=C1)SC=N2 AT10317 [1,0,0,1,0,0|1,1,0]=4 29 B13R2.2121 COC1=CC2=C(N=C1)NC(=O)C2 P19240 [0,1,0,1,0,0|2,0,0]=4 30 B13R2.13083 CC1=C(Br)C=C2CC(=O)NC2=C1 79514 [0,1,0,1,0,0|2,0,0]=4 31 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 37033 [0,1,0,1,0,0|2,0,0]=4 32 B13R2.3028 CN1C(=O)NC2=C1C=C(Br)C=C2 79273 [0,1,0,1,0,0|2,0,0]=4