0 B14R1.160 CC(=O)ONC(=O)c1ccccc1O AB22745 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Br AB52820 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Cl AB07374 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.158 c1ccc(c(c1)NCCC(=O)O)I AB44265 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.674 Cc1ccccc1C(=O)CCCCl AB16779 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.201 Cc1ccccc1C(CC(=O)O)N AB10460 [0,0,0,0,1,0|2,0,1]=4 6 B13R1.201 Cc1ccccc1[C@@H](CC(=O)O)N AB17728 [0,0,0,0,1,0|2,0,1]=4 7 B13R1.201 Cc1ccccc1[C@H](CC(=O)O)N AB17794 [0,0,0,0,1,0|2,0,1]=4 8 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Br AB10446 [0,0,0,0,1,0|2,0,1]=4 9 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Cl AB10448 [0,0,0,0,1,0|2,0,1]=4 10 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)F AB04657 [0,0,0,0,1,0|2,0,1]=4 11 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)O AB06619 [0,0,0,0,1,0|1,0,1]=3 12 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Br AB17714 [0,0,0,0,1,0|2,0,1]=4 13 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Cl AB17716 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)F AB17720 [0,0,0,0,1,0|2,0,1]=4 15 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)O AB17722 [0,0,0,0,1,0|1,0,1]=3 16 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Br AB17778 [0,0,0,0,1,0|2,0,1]=4 17 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Cl AB17779 [0,0,0,0,1,0|2,0,1]=4 18 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)F AB17783 [0,0,0,0,1,0|2,0,1]=4 19 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)O AB17787 [0,0,0,0,1,0|1,0,1]=3 20 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [2,0,0,0,0,0|1,0,0]=3 25 B14R1.415 C[C@H](C(=O)O)NC(=O)c1ccccc1 AB02521 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.678 CC(=O)OCC(=O)c1ccc(cc1)F AB49706 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.678 c1cc(ccc1C(=O)CCC(=O)O)Br AB01200 [1,1,0,0,0,0|0,0,0]=2 28 B14R1.678 c1cc(ccc1C(=O)CCC(=O)O)F AB00270 [1,1,0,0,0,0|0,0,0]=2 29 B14R1.678 c1cc(ccc1C(=O)NCC(=O)O)Cl AB01274 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.161 Cc1ccccc1CCC(C(=O)O)N AB33742 [1,1,0,0,0,0|1,0,1]=4 31 B14R1.161 Cc1ccccc1CC[C@@H](C(=O)O)N AB33748 [1,1,0,0,0,0|1,0,1]=4 32 B14R1.161 Cc1ccccc1CC[C@H](C(=O)O)N AB33744 [1,1,0,0,0,0|1,0,1]=4 33 B14R1.161 c1ccc(c(c1)CCC(C(=O)O)N)Br AB33943 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.161 c1ccc(c(c1)CCC(C(=O)O)N)Cl AB33890 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.161 c1ccc(c(c1)CCC(C(=O)O)N)F AB33850 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.161 c1ccc(c(c1)CCC(C(=O)O)N)O AB33992 [1,1,0,0,0,0|0,0,1]=3 37 B14R1.161 c1ccc(c(c1)CC[C@@H](C(=O)O)N)Br AB33947 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.161 c1ccc(c(c1)CC[C@@H](C(=O)O)N)Cl AB33895 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.161 c1ccc(c(c1)CC[C@@H](C(=O)O)N)F AB33854 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.161 c1ccc(c(c1)CC[C@@H](C(=O)O)N)O AB33996 [1,1,0,0,0,0|0,0,1]=3 41 B14R1.161 c1ccc(c(c1)CC[C@H](C(=O)O)N)Br AB33944 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.161 c1ccc(c(c1)CC[C@H](C(=O)O)N)Cl AB33893 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.161 c1ccc(c(c1)CC[C@H](C(=O)O)N)F AB33853 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.161 c1ccc(c(c1)CC[C@H](C(=O)O)N)O AB33993 [1,1,0,0,0,0|0,0,1]=3 45 B14R1.4464 c1cc(c(cc1Br)Br)OCCC(=O)O AB49596 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.840 COc1ccccc1C(CC(=O)O)N AB10458 [0,1,0,0,1,0|1,0,1]=4 47 B14R1.840 COc1ccccc1[C@@H](CC(=O)O)N AB17726 [0,1,0,0,1,0|1,0,1]=4 48 B14R1.840 COc1ccccc1[C@H](CC(=O)O)N AB17791 [0,1,0,0,1,0|1,0,1]=4 49 B14R1.4522 c1ccc(c(c1)CCC(=O)O)C(=O)O MB00245 [0,0,1,1,0,0|2,0,0]=4 50 B14R2.287 c1ccc2c(c1)C(=O)CCC(=O)N2 PB30721 [1,0,0,1,0,0|1,0,0]=3 51 B14R2.287 c1ccc2c(c1)C(=O)NCC(=O)N2 AB03447 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.768 c1ccc2c(c1)CC(C2)CC(=O)O AB03118 [1,0,0,1,0,0|1,0,1]=4 53 B14R2.768 c1ccc2c(c1)cn(n2)CC(=O)O AB28369 [1,0,0,1,0,0|2,0,0]=4 54 B14R2.768 c1ccc2c(c1)nc(o2)CC(=O)O AB20838 [1,0,0,1,0,0|1,0,1]=4 55 B14R2.781 CC(=O)C1COc2ccccc2O1 MB01186 [1,0,0,1,0,0|2,0,0]=4 56 B14R2.781 c1ccc2c(c1)CC(CN2)C(=O)O AB28363 [1,0,0,1,0,0|2,0,0]=4 57 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O AB15875 [1,0,0,1,0,0|2,0,0]=4 58 B14R2.781 c1ccc2c(c1)CCC(N2)C(=O)O AB10523 [1,0,0,1,0,0|1,0,1]=4 59 B14R2.781 c1ccc2c(c1)CCC(O2)C(=O)O AB01988 [1,0,0,1,0,0|0,0,1]=3 60 B14R2.781 c1ccc2c(c1)CC[C@@H](N2)C(=O)O AB19849 [1,0,0,1,0,0|1,0,1]=4 61 B14R2.781 c1ccc2c(c1)CC[C@H](N2)C(=O)O AB17671 [1,0,0,1,0,0|1,0,1]=4 62 B14R2.781 c1ccc2c(c1)C[C@@H](CO2)C(=O)O AB56516 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.781 c1ccc2c(c1)C[C@H](CO2)C(=O)O AB56534 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.781 c1ccc2c(c1)NC(CO2)C(=O)O AB27563 [1,0,0,1,0,0|2,0,0]=4 65 B16R2.16183 c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O AB00536 [0,1,0,1,0,0|1,0,1]=4 66 B16R2.22890 Cc1cccc2c1oc(cc2=O)C(=O)O MB02536 [0,1,0,1,0,0|0,0,2]=4 67 B16R2.22890 c1cc2c(=O)cc(oc2c(c1)Br)C(=O)O MB10465 [0,1,0,1,0,0|0,0,2]=4 68 B16R2.22890 c1cc2c(=O)cc(oc2c(c1)Cl)C(=O)O MB10462 [0,1,0,1,0,0|0,0,2]=4 69 B16R2.22890 c1cc2c(=O)cc(oc2c(c1)F)C(=O)O MB10460 [0,1,0,1,0,0|0,0,2]=4 70 B16R2.22890 c1cc2c(=O)cc(oc2c(c1)O)C(=O)O MB10452 [0,1,0,1,0,0|0,0,2]=4 71 B16R2.33887 COC(=O)c1cc(=O)c2ccccc2o1 MB01087 [0,1,0,1,0,0|0,0,2]=4 72 B16R2.133406 Cc1ccc2c(=O)cc(oc2c1)C(=O)O MB01878 [0,1,0,1,0,0|0,0,2]=4 73 B16R2.133406 c1cc2c(=O)cc(oc2cc1Br)C(=O)O MB06503 [0,1,0,1,0,0|0,0,2]=4 74 B16R2.133406 c1cc2c(=O)cc(oc2cc1Cl)C(=O)O MB01526 [0,1,0,1,0,0|0,0,2]=4 75 B16R2.133406 c1cc2c(=O)cc(oc2cc1F)C(=O)O MB10449 [0,1,0,1,0,0|0,0,2]=4 76 B16R2.23501 Cc1ccc2c(c1)c(=O)cc(o2)C(=O)O MB01075 [0,1,0,1,0,0|0,0,2]=4 77 B16R2.23501 c1cc2c(cc1Br)c(=O)cc(o2)C(=O)O MB01738 [0,1,0,1,0,0|0,0,2]=4 78 B16R2.23501 c1cc2c(cc1Cl)c(=O)cc(o2)C(=O)O MB01524 [0,1,0,1,0,0|0,0,2]=4 79 B16R2.23501 c1cc2c(cc1F)c(=O)cc(o2)C(=O)O MB02580 [0,1,0,1,0,0|0,0,2]=4 80 B16R2.23501 c1cc2c(cc1N)c(=O)cc(o2)C(=O)O MB06438 [0,1,0,1,0,0|0,0,2]=4 81 B16R2.23501 c1cc2c(cc1O)c(=O)cc(o2)C(=O)O MB10450 [0,1,0,1,0,0|0,0,2]=4 82 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [1,0,0,0,1,0|1,0,1]=4 83 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [1,0,0,0,1,0|1,0,1]=4 84 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [1,0,0,0,1,0|1,0,0]=3 85 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [1,0,0,0,1,0|1,0,0]=3 86 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [1,0,0,0,1,0|1,0,0]=3 87 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [1,0,0,0,1,0|1,0,0]=3 88 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [1,0,0,0,1,0|0,0,0]=2 89 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Br CB10378 [0,0,0,0,2,0|1,0,0]=3 90 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Cl AB24958 [0,0,0,0,2,0|1,0,0]=3 91 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F AB28722 [0,0,0,0,2,0|1,0,0]=3 92 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)O AB01138 [0,0,0,0,2,0|1,0,1]=4 93 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)O AB32827 [0,0,0,0,2,0|1,0,1]=4 94 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)O AB32824 [0,0,0,0,2,0|1,0,1]=4