0 B14R1.623 CCOC(=O)C1=C(C(Br)Br)C=CC=C1 F53189 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.623 CCOC(=O)C1=C([N+](=O)[O-])C=CC=N1 31859 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.623 CCOC(=O)C1=CC=CN=C1C(F)F 92833 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.464 CCOC(=O)C1=C(C#N)N=CC=C1 C76409 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.464 CCOC(=O)C1=C(CBr)C=CC=C1 F11922 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.464 CCOC(=O)C1=C(CN)N=CC=C1 S11622 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.464 CCOC(=O)C1=C(NC)N=CC=C1 AC2786 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.464 CCOC(=O)C1=C(NN)N=CC=C1 W15401 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.464 CCOC(=O)C1=CC=CN=C1CCl 33609 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.547 CC[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12104 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.547 CC[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12105 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.547 CC[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12979 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.547 CNC(=O)C1=C(B(O)O)C=CC=C1 AC1047 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.547 COC(=O)C1=C(C(=O)O)C=NC=C1 W10245 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.547 COC(=O)C1=C(C(C)=O)C=CC=C1 72700 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.547 COC(=O)C1=C(C(C)C)C=CC=C1 AC7725 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.547 COC(=O)C1=C(C(N)=O)C=CC=C1 AC7190 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.547 COC(=O)C1=C([C@H](C)N)C=CC=C1 Y11575 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.547 COC(=O)C1=C([C@H](C)N)C=CC=C1 Y11577 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.572 CCCOC1=CC=CN=C1C(=O)O T71778 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.572 COCCC1=C(C(=O)O)C=CC=C1 93002 [1,0,0,0,0,0|2,0,1]=4 21 B15R1.765 CCOC(=O)C1=C([N+](=O)[O-])C=CC(Cl)=N1 C73466 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.811 CCOC(=O)C1=C(C(F)(F)F)C=CC=C1 D75339 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.811 CCOC(=O)C1=C(S(=O)(=O)Cl)C=NC=C1 30094 [0,1,0,0,0,0|2,0,1]=4 24 B15R1.1239 O=C(O)C1=C(C(=O)OCCO)C=CC=C1 W18064 [0,1,0,0,0,0|0,0,0]=1 25 B15R1.5509 CC(C)OC(=O)C1=NC=CC=C1C(=O)O W18808 [0,1,0,0,0,0|1,0,0]=2 26 B15R1.10569 CCOC(=O)C1=C([N+](=O)[O-])C=C(Br)C=C1 20957 [0,1,0,0,0,0|1,0,1]=3 27 B15R1.10602 CCOC(=O)C1=CC=CC(N)=C1[N+](=O)[O-] 34946 [0,1,0,0,0,0|1,0,1]=3 28 B15R2.1221 O=C(O)C1=C(C2=CN=CO2)C=CC=C1 32562 [0,0,0,1,0,0|2,0,1]=4 29 B15R2.4382 CCOC1=CC=C(Br)C2=CC=CC=C12 W17430 [0,0,0,1,0,0|3,0,0]=4 30 B15R2.19973 COC1=CC(=O)C2=C(C=CC=C2)C1=O A12313 [0,0,0,1,0,0|3,0,0]=4 31 B13R1.467 CCOC(=O)C1=C(B(O)O)C=CO1 C71481 [0,0,0,0,1,0|2,0,1]=4 32 B15R1.1274 CCOC(=O)CC1=C([N+](=O)[O-])C=CC=N1 87317 [0,0,0,0,0,1|2,0,1]=4 33 B15R1.1274 CCOC(=O)CC1=C([N+](=O)[O-])C=NC=C1 AT18206 [0,0,0,0,0,1|2,0,1]=4 34 B12R1.77 C=CC1=C(C(=O)OC)C=CC=C1 F53555 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 70929 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 20930 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 72062 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 W18461 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.308 CCOC(=O)C1=C(N)C=CN=C1 A12134 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 BL009831 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.308 CCOC(=O)C1=CC=CN=C1Br 24958 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.308 CCOC(=O)C1=NC=CC=C1C 30595 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 50324 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.261 CC(=O)C1=CC=CN=C1C(=O)O D95040 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y10100 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12102 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12103 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.261 NC(=O)C1=C(C(=O)O)C=CC=N1 W10225 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.261 NC(=O)C1=CC=CN=C1C(=O)O T70945 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.283 CCCC1=CC=CN=C1C(=O)O D93328 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.283 CCOC1=C(C(=O)O)C=CN=C1 C76521 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 52097 [2,0,0,0,0,0|1,0,1]=4 53 B14R1.263 CCOC(=O)C1=C(COC)C=CC=C1 F53232 [1,1,0,0,0,0|0,0,1]=3 54 B14R1.599 CCOC(=O)C1=C(C#N)C=CC(Br)=C1 D84512 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.599 CCOC(=O)C1=C(C#N)C=CC(F)=C1 35033 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.599 CCOC(=O)C1=CC(Br)=CN=C1C=O D97050 [1,1,0,0,0,0|1,0,0]=3 57 B14R1.7233 CCOC(=O)C1=C(OC)C=C(N)C=C1 54703 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.7276 CCOC(=O)C1=C(Br)C=CC=C1CBr F30557 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(F)=C1 98342 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.707 COC(=O)C1=C(C(=O)O)C=CC(F)=C1 C90105 [1,1,0,0,0,0|0,0,0]=2 61 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(N)=C1 TD1276 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.746 CNC(=O)C1=C(C(=O)NC)C=CC=C1 D93387 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(O)C=C1 AB7538 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.1153 COC(=O)C1=CC=CC(Br)=C1C(=O)O AC1556 [1,1,0,0,0,0|0,0,0]=2 65 B14R1.1153 COC(=O)C1=CC=CC(Br)=C1[N+](=O)[O-] 95603 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.1153 COC(=O)C1=CC=CC(N)=C1[N+](=O)[O-] 76625 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.1164 COC(=O)C1=C(Br)C=CC=C1[N+](=O)[O-] CL9654 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.1164 COC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-] D96078 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.1164 COC(=O)C1=C([N+](=O)[O-])C=CC=C1O C72077 [1,1,0,0,0,0|1,0,1]=4 70 B16R1.1519 CCOC(=O)CC1=C([N+](=O)[O-])C=CC(F)=C1 21227 [0,1,0,0,0,1|1,0,1]=4 71 B16R1.4493 CCCCC(=O)NC1=C(C(C)=O)C=CC=C1 W11293 [0,1,0,0,0,1|2,0,0]=4 72 B16R1.13671 CCOC(=O)CC1=C([N+](=O)[O-])C=C(Cl)C=C1 93315 [0,1,0,0,0,1|1,0,1]=4 73 B16R1.13671 CCOC(=O)NC1=C([N+](=O)[O-])C=C(N)C=C1 W10060 [0,1,0,0,0,1|1,0,1]=4 74 B16R1.70467 CCOC(=O)C1=C([N+](=O)[O-])C(C)=CC(C)=C1 AB22536 [0,2,0,0,0,0|1,0,1]=4 75 B16R1.14964 CCOC(=O)C1=CC=CN=C1C(=O)OCC I11549 [0,2,0,0,0,0|1,0,0]=3 76 B16R1.14964 CCOC(=O)C1=CC=NN=C1C(=O)OCC C73043 [0,2,0,0,0,0|2,0,0]=4 77 B16R1.874 CC[C@H](C)OC(=O)C1=C(C(=O)O)C=CC=C1 D93481 [0,2,0,0,0,0|0,0,0]=2 78 B16R1.4547 CC(C)COC(=O)C1=C(C(=O)O)C=CC=C1 73895 [0,2,0,0,0,0|0,0,0]=2 79 B16R1.70365 CCOC(=O)C1=C([N+](=O)[O-])C(N)=C(Cl)C=C1 W15375 [0,2,0,0,0,0|1,0,1]=4 80 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 50749 [0,0,1,1,0,0|2,0,0]=4 81 B14R1.32 CCOC(=O)\C=C\C1=CC(O)=CC=C1 W15436 [0,0,1,1,0,0|1,0,0]=3 82 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(Cl)=C1 A10035 [0,0,1,1,0,0|2,0,0]=4 83 B14R1.605 C=CC1=NC(C)=CC(C(=O)OCC)=C1 W16038 [0,0,1,1,0,0|2,0,0]=4 84 B14R2.215 CON1C(=O)C2=C(C=CC=C2)C1=O A11111 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.4510 O=C1CCCC(=O)C2=NC=CC=C12 I11706 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.24350 O=C(O)C1=C2C(=O)CCC2=CC=C1 F52858 [1,0,0,1,0,0|0,0,0]=2 87 B14R2.24350 O=C(O)C1=C2C(=O)NCC2=CC=C1 Y10068 [1,0,0,1,0,0|1,0,0]=3 88 B14R2.24350 O=C(O)C1=C2C(=O)NNC2=CC=C1 Y10036 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.4 CN1C=CC2=C(C(=O)O)C=CC=C21 S10950 [1,0,0,1,0,0|2,0,0]=4 90 B14R2.31359 O=C(O)C1=C2CNCCC2=CC=C1 90364 [1,0,0,1,0,0|1,0,1]=4 91 B14R2.8053 O=C(O)C1=COC2=C1C(=O)CCC2 F11348 [0,0,0,1,1,0|2,0,0]=4 92 B14R2.9562 O=C(O)C1=C(C(=O)C2CC2)C=CS1 W11050 [0,0,0,1,1,0|2,0,0]=4 93 B16R2.23332 CC(=O)N1C2=C(C=CC=C2)C(=O)C[C@@H]1C W12931 [0,0,0,1,0,1|2,0,0]=4 94 B16R2.29743 CCOC(=O)C1=C2SC(N)=NC2=CC=C1 96282 [0,0,0,1,0,1|2,0,0]=4 95 B16R2.29743 CCOC(=O)C1=CC=CC2=C1SC(Br)=N2 96283 [0,0,0,1,0,1|2,0,0]=4 96 B16R2.126882 CC(=O)NC1=C2C(=O)CCCC2=CC=C1 AB11932 [0,0,0,1,0,1|2,0,0]=4 97 B12R1.316 CCOC(=O)C1=C(C=O)C=CN1 R10010 [1,0,0,0,1,0|1,0,0]=3 98 B12R1.316 CCOC(=O)C1=C(C=O)NC=C1 D79328 [1,0,0,0,1,0|1,0,0]=3 99 B12R1.316 CCOC(=O)C1=C(C=O)SC=C1 F51471 [1,0,0,0,1,0|1,0,0]=3 100 B14R1.744 COC(=O)C1=C(CC(=O)O)C=CC=C1 S11314 [1,0,0,0,0,1|0,0,0]=2 101 B14R1.617 CCOC(=O)C1=CC(C(C)=O)=NC=C1 E10126 [0,0,0,0,1,1|2,0,0]=4 102 B14R1.617 CCOC(=O)C1=NC=CC(C(=O)O)=C1 W17891 [0,0,0,0,1,1|1,0,0]=3 103 B16R1.4440 CCOC(=O)CSC1=C([N+](=O)[O-])C=CC=C1 D86764 [0,0,0,0,0,2|1,0,1]=4