0 B13R2.435 FC(F)C1=CC2=C(C=CC=C2)N1 9333AJ [0,0,0,0,0,0|2,0,1]=3 1 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 Y8996 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 Y9582 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 0986AB [0,0,0,0,0,0|1,0,1]=2 4 B13R2.435 O=C([O-])C1=CN2C=CC=CC2=N1 9845AJ [0,0,0,0,0,0|1,0,2]=3 5 B13R2.435 OB(O)C1=CC2=CC=CC=C2N1 1167AB [0,0,0,0,0,0|1,0,1]=2 6 B13R2.435 OB(O)C1=NC2=C(C=CC=C2)S1 4313AE [0,0,0,0,0,0|2,0,2]=4 7 B12R2.32 O=CC1=CC2=C(C=NC=C2)O1 2173AA [1,0,0,0,0,0|2,0,0]=3 8 B12R2.32 OCC1=CC2=NC=CC=C2O1 5212AD [1,0,0,0,0,0|2,0,1]=4 9 B14R2.450 CC1=C(C(=O)O)SC2=CC=CC=C21 Z5504 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.450 CN1C(C(=O)O)=NC2=C1N=CN=C2 9679AL [0,1,0,0,0,0|3,0,0]=4 11 B14R2.450 O=C(Cl)C1=C(Cl)C2=CC=CC=C2S1 Y8287 [0,1,0,0,0,0|2,0,0]=3 12 B14R2.789 NC1(C(=O)O)CC2=C(C=CC=C2)C1 C150 [0,1,0,0,0,0|1,0,2]=4 13 B14R2.972 COC(=O)[C@@H]1CC2=CC=CC=C2N1 2982AH [0,1,0,0,0,0|0,0,2]=3 14 B14R2.972 O=CC(=O)C1=CC2=CC=CC=C2O1 X9815 [0,1,0,0,0,0|1,0,1]=3 15 B14R2.3129 O=S(=O)(Cl)C1=NC2=C(C=CC=C2)N1 8936AB [0,1,0,0,0,0|2,0,1]=4 16 B14R2.4529 CC1=CC=C2NC(B(O)O)=CC2=C1 3826AJ [0,1,0,0,0,0|1,0,1]=3 17 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 3109AA [0,1,0,0,0,0|1,0,1]=3 18 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 3157AJ [0,1,0,0,0,0|1,0,1]=3 19 B14R2.4529 OB(O)C1=CC2=CC(F)=CC=C2N1 3210AJ [0,1,0,0,0,0|1,0,1]=3 20 B14R2.4529 OB(O)C1=CC2=CC=C(F)C=C2N1 3535AJ [0,1,0,0,0,0|1,0,1]=3 21 B14R2.7969 CC1=C2C=C(B(O)O)NC2=CC=C1 2871AJ [0,1,0,0,0,0|1,0,1]=3 22 B14R2.7969 NC(=O)C1=NC2=C(C=CC=C2Br)O1 2722AJ [0,1,0,0,0,0|2,0,1]=4 23 B14R2.7969 NC(=O)C1=NC2=C(O1)C(Br)=CC=C2 3683AJ [0,1,0,0,0,0|2,0,1]=4 24 B14R2.7969 O=C(O)C1=NC2=C(S1)C(Br)=CC=C2 3684AJ [0,1,0,0,0,0|1,0,1]=3 25 B12R1.43 CC(=O)\C(C)=C\C1=CC=CC=C1 9899AA [0,0,1,0,0,0|2,0,0]=3 26 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [0,0,1,0,0,0|1,0,2]=4 27 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7454AD [0,0,1,0,0,0|0,0,2]=3 28 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 8179AF [0,0,1,0,0,0|0,0,0]=1 29 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 6504AD [0,0,1,0,0,0|2,0,1]=4 30 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 W3217 [0,0,0,0,1,0|2,0,0]=3 31 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2S1 Y5375 [0,0,0,0,0,1|1,0,1]=3 32 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 O949 [0,0,0,0,0,1|1,0,0]=2 33 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)N1 6354AB [0,0,0,0,0,1|0,0,2]=3 34 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 O948 [0,0,0,0,0,1|1,0,1]=3 35 B14R2.781 OB(O)C1=NC=C2C=CC=CC2=C1 4150AA [0,0,0,0,0,1|1,0,2]=4 36 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 Z3501 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.91 O=C(O)C=CC1=CC=CC=C1 9667AL [1,0,1,0,0,0|0,0,0]=2 39 B11R1.91 O=C(O)CNC1=CC=NC=C1 7631AE [1,0,1,0,0,0|1,0,1]=4 40 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [1,0,1,0,0,0|1,0,1]=4 41 B11R1.17 CC1=CC=CC=C1\C=C\C=O 5900AC [1,0,1,0,0,0|1,0,0]=3 42 B11R1.17 O=C\C=C\C1=CC=CC=C1O W2100 [1,0,1,0,0,0|1,0,0]=3 43 B11R2.10 CC1=CC2=C(C=CN=C2)N1 X9076 [2,0,0,0,0,0|1,0,1]=4 44 B11R2.10 FC1=NC2=CC=CC=C2N1 Z6062 [2,0,0,0,0,0|2,0,0]=4 45 B11R2.10 NC1=CC2=C(C=CC=C2)O1 6755AA [2,0,0,0,0,0|2,0,0]=4 46 B11R2.10 [S-]C1=NC2=CC=CC=C2N1 V1484 [2,0,0,0,0,0|1,1,0]=4 47 B13R1.135 NC(CC1=CC=CC=C1)C(=O)OC Y1503 [0,1,1,0,0,0|0,0,2]=4 48 B13R1.135 N[C@H](CC1=CC=CC=C1)C(=O)OC Y1718 [0,1,1,0,0,0|0,0,2]=4 49 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O 6300AB [0,1,1,0,0,0|0,0,2]=4 50 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O 8578AH [0,1,1,0,0,0|0,0,2]=4 51 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O 8576AH [0,1,1,0,0,0|0,0,2]=4 52 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 7288AH [0,1,1,0,0,0|0,0,2]=4 53 B13R2.26 O=C=NC1=CC2=CC=CC=C2O1 Y8042 [1,1,0,0,0,0|1,0,1]=4 54 B13R2.45 N#CC1=C(Cl)C2=CC=CC=C2N1 9166AE [1,1,0,0,0,0|1,0,1]=4 55 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 2228AJ [1,1,0,0,0,0|1,0,0]=3 56 B13R2.54 CCC1=CC2=C(C=CC=C2O)N1 W6016 [1,1,0,0,0,0|1,0,1]=4 57 B13R2.54 O=CC1=CC2=CC=CC(Cl)=C2N1 7637AB [1,1,0,0,0,0|0,0,0]=2 58 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 W8407 [0,1,0,0,1,0|1,0,0]=3 59 B13R2.531 NNC(=O)C1=CC2=C(C=CO2)N1 2921AF [0,1,0,0,1,0|2,0,0]=4 60 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 Y4173 [0,1,0,0,1,0|1,0,0]=3 61 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=N1 7623AB [0,1,0,0,0,1|0,0,1]=3 62 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 4400AH [0,1,0,0,0,1|0,0,2]=4 63 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 5202AB [0,1,0,0,0,1|2,0,0]=4 64 B15R2.7174 NC1=CC2=C(C=C1)CNC(C(=O)O)C2 Y4008 [0,1,0,0,0,1|0,0,2]=4 65 B15R2.7174 NC1=CC2=NC(C(=O)O)=CC=C2C=N1 3642AJ [0,1,0,0,0,1|1,0,1]=4 66 B15R2.7174 O=C(O)C1CC2=C(C=CC(O)=C2)CN1 Y4996 [0,1,0,0,0,1|0,0,2]=4 67 B15R2.7180 O=C(O)[C@H]1CC2=C(C=C(O)C=C2)CN1 3718AH [0,1,0,0,0,1|0,0,2]=4 68 B15R2.1592 COC(=O)C1=C(Br)C2=CC=CC=C2S1 Y1494 [0,2,0,0,0,0|1,0,0]=3 69 B15R2.13629 O=C(O)C1=C(Cl)C2=C(C=CC=C2F)S1 6181AE [0,2,0,0,0,0|1,0,0]=3 70 B15R2.14758 CC1=CC=C2C(=C1)C=C(C(=O)O)N2C 7348AD [0,2,0,0,0,0|0,0,0]=2 71 B15R2.1598 COC(=O)C1=CC2=C(C=NC=C2Cl)S1 1988AB [0,2,0,0,0,0|2,0,0]=4 72 B15R2.4834 COC1=CC2=C(C=C1)NC(B(O)O)=C2 3245AJ [0,2,0,0,0,0|1,0,1]=4 73 B15R2.20824 COC1=C2C=C(B(O)O)NC2=CC=C1 X1952 [0,2,0,0,0,0|1,0,1]=4 74 B15R2.20824 COC1=C2NC(B(O)O)=CC2=CC=C1 3713AJ [0,2,0,0,0,0|1,0,1]=4 75 B15R2.20824 N#CC1=C2C=C(B(O)O)NC2=CC=C1 2799AJ [0,2,0,0,0,0|1,0,1]=4 76 B13R2.369 NC1=C(Br)C=C2C=CC=CC2=C1 5287AE [0,0,1,1,0,0|2,0,0]=4 77 B13R2.369 O=C1OC2=CC=CC=C2N=C1Cl 2593AB [0,0,1,1,0,0|1,0,1]=4 78 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 3165AJ [0,0,1,1,0,0|2,0,0]=4 79 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 9220AH [0,0,1,1,0,0|0,0,2]=4 80 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [0,0,1,0,1,0|1,0,0]=3 81 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 8062AF [0,0,1,0,1,0|1,0,1]=4 82 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 8081AF [0,0,1,0,0,1|2,0,0]=4 83 B13R1.348 C[C@@H](CC(=O)O)NC1=CC=CC=C1 9248AJ [0,0,1,0,0,1|0,0,2]=4 84 B15R2.1668 O=C(Cl)CC1=CC=C2C=CC=CC2=C1 U888 [0,0,0,0,0,2|2,0,0]=4 85 B15R2.1668 O=C(O)CC1CCC2=CC=CC=C2N1 9569AH [0,0,0,0,0,2|0,0,2]=4