0 B14R1.42 COC1=C(C)C=CC(CCC(=O)O)=C1 F52915 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.511 CC1=C(Br)C=CC(CCC(=O)O)=C1 F52924 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.511 CC1=C(Br)C=CC(\C=C\C(=O)O)=C1 AT20409 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.511 O=C(O)CCC1=CC(Br)=C(O)C=C1 F52922 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.511 O=C(O)CCC1=CC(Cl)=C(O)C=C1 F52918 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.511 O=C(O)CCC1=CC(F)=C(O)C=C1 F52917 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.511 O=C(O)CCC1=CC(O)=C(Cl)C=C1 F52919 [1,0,0,0,0,0|1,0,2]=4 7 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 N14844 [0,1,0,0,0,0|0,0,2]=3 8 B15R1.4038 COC1=C(O)C=CC(C[C@H](O)C(=O)[O-])=C1 T72929 [0,1,0,0,0,0|0,0,3]=4 9 B15R1.12854 COC1=C(C#N)C=CC(CCC(=O)O)=C1 C90970 [0,1,0,0,0,0|1,0,2]=4 10 B15R1.12854 COC1=C(OC)C=C(\C=C\[N+](=O)[O-])C=C1 C91015 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.52 COC1=C(Br)C=CC(CC(=O)O)=C1 98291 [0,0,0,0,1,0|1,0,1]=3 12 B13R1.52 COC1=C(Cl)C=CC(CC(=O)O)=C1 AT23094 [0,0,0,0,1,0|1,0,1]=3 13 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 AT20929 [2,0,0,0,0,0|1,0,1]=4 16 B12R1.385 O=C\C=C\C1=CC(F)=C(F)C=C1 43886 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.382 COC1=CC=CC(CCC=O)=C1 AC6075 [2,0,0,0,0,0|0,0,2]=4 18 B14R1.685 CC1=C(O)C=CC([C@@H](N)CC(=O)O)=C1 N14778 [1,1,0,0,0,0|0,0,2]=4 19 B14R1.685 CC1=C(O)C=CC([C@@H](N)CC(=O)O)=C1 N14779 [1,1,0,0,0,0|0,0,2]=4 20 B14R1.685 CC1=C(O)C=CC([C@@H](N)CC(=O)O)=C1 N14780 [1,1,0,0,0,0|0,0,2]=4 21 B14R1.686 CC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 N14839 [1,1,0,0,0,0|0,0,2]=4 22 B14R1.686 CC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 N14840 [1,1,0,0,0,0|0,0,2]=4 23 B14R1.686 C\C(=C/C1=CC(O)=C(O)C=C1)[N+](=O)[O-] N11812 [1,1,0,0,0,0|1,0,1]=4 24 B14R1.686 O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 F15598 [1,1,0,0,0,0|0,0,1]=3 25 B14R1.833 COC(=O)\C=C\C1=CC(O)=C(N)C=C1 AC7196 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.81 COC1=CC=CC(\C=C\C(=O)O)=C1O D87803 [1,1,0,0,0,0|0,0,0]=2 27 B14R1.81 N#CC1=C(Cl)C(\C=C\C(=O)O)=CC=C1 95994 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.81 N#CC1=C(F)C(\C=C\C(=O)O)=CC=C1 95997 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.376 COC1=CC(CCC(=O)O)=CC(F)=C1 F52901 [1,1,0,0,0,0|0,0,2]=4 30 B14R1.2335 COC1=CC(CCC(=O)O)=C(F)C=C1 F52908 [1,1,0,0,0,0|0,0,2]=4 31 B14R1.2335 COC1=CC(\C=C\C(=O)O)=C(O)C=C1 D87796 [1,1,0,0,0,0|0,0,0]=2 32 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N12457 [0,1,0,0,1,0|0,0,1]=3 33 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14806 [0,1,0,0,1,0|0,0,1]=3 34 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14807 [0,1,0,0,1,0|0,0,1]=3 35 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 61355 [0,1,0,0,1,0|1,0,1]=4 36 B16R1.20040 COC1=CC(F)=C(\C=C\C(=O)O)C=C1OC 98318 [0,2,0,0,0,0|0,0,0]=2 37 B16R1.4274 COC1=C(OC)C=C(C[C@H](C)C(=O)O)C=C1 D71903 [0,2,0,0,0,0|0,0,2]=4 38 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(OC)=C(O)C=C1 N12856 [0,2,0,0,0,0|0,0,2]=4 39 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(OC)=C(O)C=C1 N14845 [0,2,0,0,0,0|0,0,2]=4 40 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(OC)=C(O)C=C1 N14846 [0,2,0,0,0,0|0,0,2]=4 41 B16R1.4763 COC1=C(O)C=CC(C[C@H](C#N)C(=O)O)=C1 F18669 [0,2,0,0,0,0|0,0,2]=4 42 B14R2.4513 CC1=C(F)C=CC2=C1NC(=O)C=C2 AT15321 [1,0,0,1,0,0|2,0,0]=4 43 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)N=C2 F15811 [1,0,0,1,0,0|2,0,0]=4 44 B14R2.2332 COC1=CC2=CC=C(C)C=C2C=C1 N14597 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.2332 COC1=CC=C2N=C(F)C=CC2=C1 55499 [1,0,0,1,0,0|2,0,0]=4 46 B14R2.2332 O=CC1=CC2=C(C=C1)OC(=O)C=C2 F14768 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.11684 COC1=C2C=C(Cl)C=CC2=CC=C1 N14590 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.11684 COC1=CC=CC2=CN=C(O)N=C21 F13967 [1,0,0,1,0,0|2,0,0]=4 49 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCO2 C14900 [0,0,0,1,1,0|1,0,1]=4 50 B16R2.1357 COC(=O)\C=C\C1=CC2=C(C=C1)OCO2 W12831 [0,1,0,1,0,0|0,0,0]=2 51 B16R2.1357 COC(=O)\C=C\C1=CC2=C(C=C1)OCO2 W18737 [0,1,0,1,0,0|0,0,0]=2 52 B16R2.1461 COC1=C(CO)C=C2C=C(Br)C=CC2=C1 97912 [0,1,0,1,0,0|2,0,0]=4 53 B16R2.7475 COC1=CC=C2C=CC(=O)OC2=C1OC F17710 [0,1,0,1,0,0|0,0,0]=2 54 B16R3.10840 O=C1N=CC2=C(C=C3OCOC3=C2)N1 F15829 [0,0,0,2,0,0|2,0,0]=4 55 B12R1.19 CC1=C(Cl)C=CC(CC(=O)O)=C1 D96291 [1,0,0,0,1,0|1,0,1]=4 56 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 AT18202 [1,0,0,0,1,0|1,0,1]=4 57 B12R1.56 COC1=CC(C(=O)O)=CN=C1Br AT21522 [0,0,0,0,2,0|2,0,0]=4 58 B12R1.56 COC1=CC(C(=O)O)=CN=C1F 91701 [0,0,0,0,2,0|2,0,0]=4 59 B14R1.1600 COC1=C(CCC(=O)O)C=CC(O)=C1 F18296 [0,0,0,0,1,1|0,0,2]=4 60 B14R1.1600 N#CC1=C(\C=C/C(=O)O)C=CC(O)=C1 F50385 [0,0,0,0,1,1|2,0,0]=4