0 B12R1.125 CC(=O)OCC1=C(C)C=CC=C1 5689AF [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7454AD [0,0,0,0,0,0|2,0,1]=3 2 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 8179AF [0,0,0,0,0,0|1,0,0]=1 3 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl 5179AB [0,0,0,0,0,0|3,0,1]=4 4 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 6504AD [0,0,0,0,0,0|2,0,1]=3 5 B11R1.17 CC1=CC=CC=C1\C=C\C=O 5900AC [1,0,0,0,0,0|1,0,0]=2 6 B11R1.17 O=C\C=C\C1=CC=CC=C1O W2100 [1,0,0,0,0,0|0,0,0]=1 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 B13R1.150 CC1=C(C)C(OCC(=O)O)=CC=C1 9297AD [0,1,0,0,0,0|2,0,1]=4 12 B13R1.150 CC1=C(Cl)C=CC=C1SCC(=O)O Y9691 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl W3814 [0,1,0,0,0,0|1,0,2]=4 14 B13R1.202 CC1=C(OC(C)C(=O)O)C=CC=C1 8974AE [0,1,0,0,0,0|2,0,1]=4 15 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 7288AH [0,1,0,0,0,0|1,0,2]=4 16 B13R1.3787 CC1=CC=CC(C)=C1OCC(=O)O V0199 [0,1,0,0,0,0|2,0,1]=4 17 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 Y8996 [0,0,0,1,0,0|1,1,0]=3 18 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 Y9582 [0,0,0,1,0,0|2,1,0]=4 19 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 0986AB [0,0,0,1,0,0|1,0,0]=2 20 B13R2.435 O=C([O-])C1=CN2C=CC=CC2=N1 9845AJ [0,0,0,1,0,0|2,0,1]=4 21 B13R2.435 OB(O)C1=CC2=CC=CC=C2N1 1167AB [0,0,0,1,0,0|2,0,1]=4 22 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 3165AJ [0,0,0,1,0,0|2,0,0]=3 23 B11R1.86 O=C(Cl)OC1=CC=CC=C1Cl 1026AP [0,0,0,0,1,0|3,0,0]=4 24 B11R1.86 O=C(O)CC1=CNC=CC1=O X3979 [0,0,0,0,1,0|1,0,2]=4 25 B11R1.86 O=C(O)CC1=NC=CC=C1Cl Z5258 [0,0,0,0,1,0|2,0,1]=4 26 B10R1.17 C=C\C=C\C1=CC=CC=C1 1673AL [2,0,0,0,0,0|1,0,0]=3 27 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [2,0,0,0,0,0|2,0,0]=4 28 B12R1.308 O=C(\C=N\O)C1=CC=CC=C1Cl 9208AJ [1,1,0,0,0,0|2,0,0]=4 29 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 W2119 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 X5622 [1,1,0,0,0,0|0,0,0]=2 31 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O 5660AF [1,1,0,0,0,0|1,0,0]=3 32 B12R1.43 CC(=O)\C(C)=C\C1=CC=CC=C1 9899AA [1,1,0,0,0,0|1,0,0]=3 33 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [1,1,0,0,0,0|0,0,2]=4 34 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O W4840 [0,1,0,0,1,0|0,0,1]=3 35 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Cl X2678 [0,1,0,0,1,0|1,0,1]=4 36 B12R1.233 O=C(O)CC1=CC=C(O)C=C1O W1999 [0,1,0,0,1,0|0,0,1]=3 37 B14R1.3135 COC1=CC=CC=C1\C=C(\C)[N+](=O)[O-] Y6334 [0,2,0,0,0,0|1,0,1]=4 38 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1F Y8815 [0,2,0,0,0,0|1,0,0]=3 39 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 3083AL [1,0,0,1,0,0|2,0,0]=4 40 B12R2.24 OC1=CC2=CC=CC=C2C=N1 W8331 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.32 O=CC1=CC2=C(C=NC=C2)O1 2173AA [1,0,0,1,0,0|1,0,0]=3 42 B12R2.32 OCC1=CC2=NC=CC=C2O1 5212AD [1,0,0,1,0,0|1,0,1]=4 43 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 W3217 [0,0,0,1,1,0|1,1,0]=4 44 B14R2.256 CC1=NC(C2=CC=CC=C2O)=CS1 8078AA [0,0,0,1,0,1|2,0,0]=4 45 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2S1 Y5375 [0,0,0,1,0,1|0,1,1]=4 46 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 O949 [0,0,0,1,0,1|1,0,0]=3 47 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 O948 [0,0,0,1,0,1|1,0,1]=4 48 B14R2.450 CC1=C(C(=O)O)SC2=CC=CC=C21 Z5504 [0,1,0,1,0,0|0,1,0]=3 49 B14R2.450 O=C(Cl)C1=C(Cl)C2=CC=CC=C2S1 Y8287 [0,1,0,1,0,0|1,1,0]=4 50 B14R2.7969 NC(=O)C1=NC2=C(C=CC=C2Br)O1 2722AJ [0,1,0,1,0,0|2,0,0]=4 51 B14R2.7969 NC(=O)C1=NC2=C(O1)C(Br)=CC=C2 3683AJ [0,1,0,1,0,0|2,0,0]=4 52 B14R2.7969 O=C(O)C1=NC2=C(S1)C(Br)=CC=C2 3684AJ [0,1,0,1,0,0|1,1,0]=4 53 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 3109AA [0,1,0,1,0,0|1,1,0]=4 54 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 3157AJ [0,1,0,1,0,0|1,1,0]=4 55 B14R2.972 O=CC(=O)C1=CC2=CC=CC=C2O1 X9815 [0,1,0,1,0,0|0,0,1]=3 56 B14R2.8751 CC1=CC=C(Br)C2=C1N=C(O)C=C2 6975AC [0,1,0,1,0,0|2,0,0]=4 57 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [0,0,0,0,2,0|2,0,0]=4 58 B10R1.61 O=C(O)C1=C(F)C=CN=C1 7628AA [0,0,0,0,2,0|2,0,0]=4 59 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [0,0,0,0,2,0|0,0,1]=3 60 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [0,0,0,0,2,0|0,0,1]=3