0 B13R1.511 CC(=O)\C=C\C1=CC(O)=C(O)C=C1 D95842 [1,0,0,0,0,0|1,0,0]=2 1 B13R1.511 CC1=C(F)C=CC(CCC(=O)O)=C1 F52891 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.511 CC1=C(O)C=CC(CCC(=O)O)=C1 F52916 [1,0,0,0,0,0|0,0,2]=3 3 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 42813 [1,0,0,0,0,0|0,0,0]=1 4 B13R1.643 COC1=CC(CCC(=O)O)=CN=C1 72579 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.643 COC1=CC=CC(C#CC(=O)O)=C1 D86459 [1,0,0,0,0,0|0,0,2]=3 6 B13R1.643 COC1=CC=CC(CCC(=O)O)=N1 72054 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.643 COC1=CC=CC(COC(=O)Cl)=C1 D80875 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.643 N#CC1=CC=CC(\C=C\C(=O)O)=C1 C80051 [1,0,0,0,0,0|2,0,0]=3 9 B15R1.4037 COC1=C(O)C=CC([C@@H](N)CC(=O)O)=C1 62461 [0,1,0,0,0,0|0,0,2]=3 10 B15R1.4038 COC1=C(O)C=CC(CC(=O)C(=O)O)=C1 T71582 [0,1,0,0,0,0|0,0,1]=2 11 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 82868 [0,1,0,0,0,0|0,0,2]=3 12 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 D95468 [0,1,0,0,0,0|0,0,2]=3 13 B15R1.4039 COC(=O)CCC1=CC(OC)=C(O)C=C1 T72619 [0,1,0,0,0,0|0,0,2]=3 14 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 AC7547 [0,1,0,0,0,0|0,0,0]=1 15 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)C=C2 TD8126 [0,0,0,1,0,0|0,0,0]=1 16 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 C10355 [0,0,0,1,0,0|1,0,2]=4 17 B15R2.7688 O=C(O)\C=C/C1=CC2=C(C=C1)OCC2 C12982 [0,0,0,1,0,0|1,0,0]=2 18 B15R2.36352 COC1=C(Cl)C=CC2=NC=C(O)N=C21 I12076 [0,0,0,1,0,0|3,0,0]=4 19 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 CL9702 [0,0,0,0,1,0|1,0,1]=3 20 B13R1.52 COC1=C(O)C=CC(OC(C)=O)=C1 AC6384 [0,0,0,0,1,0|2,0,0]=3 21 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.21 O=C(O)\C=C\C1=CN=C(Br)C=C1 F16133 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 C77141 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 W18216 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [2,0,0,0,0,0|1,0,0]=3 27 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O F21483 [1,1,0,0,0,0|0,0,2]=4 28 B14R1.833 COC(=O)\C=C\C1=CC(F)=C(F)C=C1 W11635 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.3653 COC1=C(O)C=C(C=C[N+](=O)[O-])C=C1 D95577 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.74 COC1=CC=CC([C@@H](N)CC(=O)O)=C1 A50491 [1,1,0,0,0,0|0,0,2]=4 31 B14R1.75 COC1=CC=CC(CC(=O)C(=O)O)=C1 C91154 [1,1,0,0,0,0|0,0,1]=3 32 B14R1.77 COC(=O)\C=C\C1=CN=CC(OC)=C1 W11684 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.376 COC1=CC(CCC(=O)O)=CC(Br)=C1 Y12732 [1,1,0,0,0,0|0,0,2]=4 34 B14R1.376 COC1=CC(\C=C\C(=O)O)=CC(F)=C1 W16430 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.41 COC1=C(F)C=CC([C@@H](N)C(=O)O)=C1 N10762 [0,1,0,0,1,0|1,0,1]=4 36 B14R1.41 COC1=C(F)C=CC([C@@H](N)C(=O)O)=C1 Y12526 [0,1,0,0,1,0|1,0,1]=4 37 B14R1.41 COC1=C(F)C=CC([C@@H](N)C(=O)O)=C1 Y12970 [0,1,0,0,1,0|1,0,1]=4 38 B16R1.20040 COC1=CC(Br)=C(CCC(=O)O)C=C1OC C11945 [0,2,0,0,0,0|0,0,2]=4 39 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 41197 [1,0,0,1,0,0|0,0,0]=2 40 B14R2.8239 OC1=CC=C2C=C(Br)C(O)=CC2=C1 D82884 [1,0,0,1,0,0|2,0,0]=4 41 B14R2.203 COC1=C(Br)C=CC2=CC=CC=C21 F21158 [1,0,0,1,0,0|2,0,0]=4 42 B14R2.203 COC1=C(Br)C=CC2=CC=CN=C21 76401 [1,0,0,1,0,0|2,0,0]=4 43 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 C72616 [1,0,0,1,0,0|2,0,0]=4 44 B14R2.1128 COC1=CC2=CC=CC=C2C=C1Br E10143 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.1128 COC1=CC2=CC=CN=C2C=C1C W10697 [1,0,0,1,0,0|2,0,0]=4 46 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 71771 [1,0,0,1,0,0|0,0,2]=4 47 B14R2.2332 CCC1=CC=C2C=C(O)C=CC2=C1 C10686 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=C2 W10314 [1,0,0,1,0,0|1,0,0]=3 49 B14R2.2332 COC1=CC2=C(C=C1)OC(=O)CC2 D94611 [1,0,0,1,0,0|0,0,2]=4 50 B14R2.2332 COC1=CC2=NC=C(O)N=C2C=C1 C77112 [1,0,0,1,0,0|2,0,0]=4 51 B14R2.2332 COC1=CC=C2N=C(Br)C=CC2=C1 83962 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.11684 COC1=C2C=C(Br)C=CC2=CC=C1 33657 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.11684 COC1=C2N=C(Br)C=CC2=CC=C1 83963 [1,0,0,1,0,0|2,0,0]=4 54 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 F19836 [1,0,0,1,0,0|0,0,0]=2 55 B14R2.11684 COC1=C2OC(=O)CCC2=CC=C1 Y11652 [1,0,0,1,0,0|0,0,2]=4 56 B16R2.36472 COC1=C(O)C(O)=C2OC(=O)C=CC2=C1 40361 [0,1,0,1,0,0|0,0,0]=2 57 B16R2.1933 COC1=C(Br)C=C2C=C(C(=O)O)OC2=C1 F19963 [0,1,0,1,0,0|2,0,0]=4 58 B16R2.11587 N[C@@H](CC(=O)O)C1=CC2=C(C=C1)OCO2 Y11049 [0,1,0,1,0,0|0,0,2]=4 59 B16R2.41208 CCC1=CC2=C(C=C1O)OC(=O)C=C2C 71277 [0,1,0,1,0,0|1,0,0]=3 60 B16R2.1461 COC1=CC2=C(C=C1OC)NC(=O)N=C2 F15826 [0,1,0,1,0,0|2,0,0]=4 61 B16R2.1461 COC1=CC2=C(C=C1OC)OC(=O)C=C2 44332 [0,1,0,1,0,0|0,0,0]=2 62 B16R2.36419 COC1=CC2=C(C=C1OC)[C@H](C(=O)O)C2 88612 [0,1,0,1,0,0|0,0,2]=4 63 B16R3.10840 O=C1C=CC2=C(C=C3OC=CC3=C2)O1 44316 [0,0,0,2,0,0|1,0,1]=4 64 B16R3.11020 O=C1C=CC2=C(O1)C3=C(C=C2)OC=C3 44262 [0,0,0,2,0,0|1,0,1]=4 65 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [1,0,0,0,1,0|1,0,1]=4 66 B12R1.19 CC(=O)NC1=CC(C)=C(O)C=C1 C73156 [1,0,0,0,1,0|2,0,0]=4 67 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 71977 [1,0,0,0,1,0|1,0,1]=4 68 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 O10459 [1,0,0,0,1,0|1,0,1]=4 69 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 34928 [0,0,0,0,2,0|2,0,0]=4 70 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 W17726 [0,0,0,0,2,0|2,0,0]=4 71 B12R1.56 COC1=C(Br)C=NC(C(=O)O)=C1 54904 [0,0,0,0,2,0|2,0,0]=4 72 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 CL9533 [0,0,0,0,2,0|2,0,0]=4 73 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 36093 [0,0,0,0,2,0|2,0,0]=4 74 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 AT15468 [0,0,0,0,2,0|1,0,0]=3 75 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 Y13466 [0,0,0,0,2,0|1,0,1]=4 76 B12R1.56 COC1=CC(C(=O)O)=CN=C1I W12409 [0,0,0,0,2,0|2,0,0]=4 77 B12R1.56 CSC1=C(Cl)C=CC(C(=O)O)=C1 AR3416 [0,0,0,0,2,0|1,1,0]=4 78 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 59544 [0,0,0,0,2,0|2,0,0]=4