0 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O 5660AF [0,0,0,0,0,0|3,0,0]=3 1 B12R1.27 NCC(=O)OCC1=CC=CC=C1 3139AL [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 CCC\C=C\C1=NC=CC=C1 Y5856 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 Y7433 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [1,0,0,0,0,0|1,1,1]=4 5 B11R1.91 CC(C)=NNC1=CC=CC=C1 8097AF [1,0,0,0,0,0|3,0,0]=4 6 B11R1.91 CC(C)\C=C\C1=NC=CC=C1 Y6439 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 O=C(O)C=CC1=CC=CC=C1 9667AL [1,0,0,0,0,0|0,0,0]=1 8 B11R1.91 O=C(O)CNC1=CC=NC=C1 7631AE [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 O=C([O-])COC1=CC=CC=C1 I578 [1,0,0,0,0,0|1,0,2]=4 11 B13R1.11 COC(=O)C[C@H](N)C1=CC=CN=C1 1298AL [0,1,0,0,0,0|1,0,2]=4 12 B13R1.14 COC(=O)\C=C\C1=CC=C(N)C=C1 X5349 [0,1,0,0,0,0|0,0,0]=1 13 B13R1.135 NC(CC1=CC=CC=C1)C(=O)OC Y1503 [0,1,0,0,0,0|0,0,2]=3 14 B13R1.135 N[C@H](CC1=CC=CC=C1)C(=O)OC Y1718 [0,1,0,0,0,0|0,0,2]=3 15 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CO1 Y2096 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 3450AA [0,0,0,1,0,0|3,0,0]=4 17 B13R2.10 SC1=NC(C2=CC=CC=C2)=NO1 7869AD [0,0,0,1,0,0|2,1,0]=4 18 B13R2.32 CN1C(=S)C=CC2=CC=CC=C21 4164AE [0,0,0,1,0,0|1,1,0]=3 19 B13R2.57 COC1=CC=C2N=CN=CC2=C1 1741AC [0,0,0,1,0,0|3,0,0]=4 20 B11R1.25 COC(=O)\C=C\C1=CNC=C1 6804AC [0,0,0,0,1,0|1,0,0]=2 21 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 Z3501 [0,0,0,0,1,0|3,0,0]=4 23 B10R1.17 C=C\C=C\C1=CC=CC=C1 1673AL [2,0,0,0,0,0|0,0,1]=3 24 B10R1.17 CC\C=C\C1=NC=CC=C1 Y6363 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [2,0,0,0,0,0|0,0,0]=2 26 B12R0.248 CCC\C=C/C=C/C=C/C(=O)OC X6365 [0,1,1,0,0,0|0,0,2]=4 27 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 W2119 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 X5622 [1,1,0,0,0,0|0,0,0]=2 29 B12R1.43 CC(=O)\C(C)=C\C1=CC=CC=C1 9899AA [1,1,0,0,0,0|0,0,0]=2 30 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.107 CC(=O)CC(=O)C1=CC=CN=C1 4506AB [1,1,0,0,0,0|1,0,1]=4 32 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 7150AJ [1,1,0,0,0,0|1,0,1]=4 33 B12R1.125 CC(=O)OCC1=C(C)C=CC=C1 5689AF [1,1,0,0,0,0|1,0,1]=4 34 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7454AD [1,1,0,0,0,0|1,0,1]=4 35 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 8179AF [1,1,0,0,0,0|0,0,0]=2 36 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 6504AD [1,1,0,0,0,0|1,0,1]=4 37 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 R858 [0,1,0,0,0,1|0,0,2]=4 38 B14R1.29 CCN\C(C)=C\C(=O)C1=CC=CC=C1 7999AJ [0,2,0,0,0,0|2,0,0]=4 39 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 Y6272 [0,2,0,0,0,0|0,0,2]=4 40 B14R1.5 COC(=O)\C=C\C1=CC=C(C=O)C=C1 Z3584 [0,2,0,0,0,0|0,0,0]=2 41 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 R935 [0,2,0,0,0,0|0,0,2]=4 42 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 F048 [0,2,0,0,0,0|0,0,0]=2 43 B14R1.727 COC(=O)COC1=C(Cl)C=C(Cl)C=C1 6508AD [0,2,0,0,0,0|1,0,1]=4 44 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1F Y8815 [0,2,0,0,0,0|0,0,0]=2 45 B12R1.382 COC1=CC=CC(\C=C\C=O)=C1 8277AB [0,0,1,1,0,0|2,0,0]=4 46 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 X2835 [0,0,1,1,0,0|1,0,1]=4 47 B12R1.435 COC(=O)C1=CC=CC(NN)=C1 Y6246 [0,0,1,1,0,0|2,0,0]=4 48 B12R2.1081 CC1=CC=CC2=C1C=CN=C2 9523AB [1,0,0,1,0,0|2,0,0]=4 49 B12R2.24 CC1=CC=C2C=CN=CC2=C1 7738AB [1,0,0,1,0,0|2,0,0]=4 50 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 3083AL [1,0,0,1,0,0|2,0,0]=4 51 B12R2.24 OC1=CC2=CC=CC=C2C=N1 W8331 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 7165AB [0,1,0,1,0,0|2,0,0]=4 53 B14R2.28523 CN1C(=O)C=CC2=CC=CC(Br)=C21 3760AJ [0,1,0,1,0,0|1,0,0]=3 54 B14R2.112 CCOC1=NC2=C(C=C1)N=CC=C2 1689AJ [0,1,0,1,0,0|2,0,0]=4 55 B14R2.972 COC(=O)[C@@H]1CC2=CC=CC=C2N1 2982AH [0,1,0,1,0,0|0,0,2]=4 56 B14R2.972 O=CC(=O)C1=CC2=CC=CC=C2O1 X9815 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [0,0,0,0,2,0|2,0,0]=4 58 B14R1.716 CCC(=O)OC\C=C\C1=CC=CC=C1 P686 [0,0,0,0,0,2|1,0,0]=3