0 B13R2.435 B(c1cc2ccccc2o1)(O)O AB05334 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.435 B(c1cc2ccccc2s1)(O)O AB08143 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.435 C1=C(N=C2=CN=CN=C21)C(=O)O PB33303 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.435 C1=CC2C(=NC(=N2)C(=O)O)C=C1 AB06989 [0,0,0,0,0,0|1,0,2]=3 4 B13R2.435 C1=CC2C=C(N=C2C=C1)C(=O)O AB00454 [0,0,0,0,0,0|0,0,2]=2 5 B13R2.435 C1=CC2C=C(N=C2C=C1)C(=S)N AB21769 [0,0,0,0,0,0|1,1,2]=4 6 B13R2.435 C1C=C2C(=CC(=N2)C(=O)O)C=N1 PB29651 [0,0,0,0,0,0|1,0,2]=3 7 B13R2.435 C1C=CN=C2C1=NC(=C2)C(=O)O PB19071 [0,0,0,0,0,0|1,0,2]=3 8 B13R2.435 CC(=O)C1=NC2=C(=C1)C=CC=C2 AB10369 [0,0,0,0,0,0|1,0,2]=3 9 B13R2.435 c1cc2c(cc(s2)C(=O)O)nc1 PB10995 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.435 c1cc2cc(nn2nc1)C(=O)O PB21267 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.435 c1cc2cc(sc2nc1)C(=O)O PB30897 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.435 c1cc2nc(cn2nc1)C(=O)O PB31035 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.435 c1ccc2c(c1)CC(O2)C(=O)O AB13115 [0,0,0,0,0,0|1,0,2]=3 14 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O AB00533 [0,0,0,0,0,0|1,0,0]=1 15 B13R2.435 c1ccc2c(c1)nc(o2)C(=O)O AB28059 [0,0,0,0,0,0|1,0,1]=2 16 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O PB19998 [0,0,0,0,0,0|1,0,1]=2 17 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)N AB19632 [0,0,0,0,0,0|2,0,1]=3 18 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)O AB28488 [0,0,0,0,0,0|1,0,1]=2 19 B13R2.435 c1ccn2c(c1)cc(n2)C(=S)N AB19627 [0,0,0,0,0,0|2,1,1]=4 20 B13R2.435 c1ccn2cc(cc2c1)C(=O)O AB05495 [0,0,0,0,0,0|2,0,0]=2 21 B13R2.435 c1ccn2cc(nc2c1)C(=O)O AB14484 [0,0,0,0,0,0|1,0,1]=2 22 B13R2.435 c1cn2cc(nc2cn1)C(=O)O AB45687 [0,0,0,0,0,0|2,0,1]=3 23 B13R2.435 c1cnc2cc(nn2c1)C(=O)O AB05942 [0,0,0,0,0,0|2,0,1]=3 24 B13R2.435 c1cnc2nc(cn2c1)C(=O)O AB14500 [0,0,0,0,0,0|2,0,1]=3 25 B13R2.435 c1cnc2nc(nn2c1)C(=O)O AB04429 [0,0,0,0,0,0|3,0,1]=4 26 B12R2.32 C1=CC2C(=NC(=N2)C=O)C=C1 AB04996 [1,0,0,0,0,0|1,0,2]=4 27 B12R2.32 C1=CC2C=C(N=C2C=C1)C=O AB12824 [1,0,0,0,0,0|0,0,2]=3 28 B12R2.32 C1C=C2C(=CC(=N2)C=O)C=N1 AB26866 [1,0,0,0,0,0|1,0,2]=4 29 B12R2.32 C1C=C2C=C(N=C2C=N1)C=O AB26863 [1,0,0,0,0,0|1,0,2]=4 30 B12R2.32 c1ccc2c(c1)cc(o2)C=O CB10104 [1,0,0,0,0,0|1,0,0]=2 31 B12R2.32 c1ccc2c(c1)cc(s2)CN AB13993 [1,0,0,0,0,0|2,0,1]=4 32 B12R2.32 c1ccc2c(c1)nc(s2)C=O AB06418 [1,0,0,0,0,0|1,0,1]=3 33 B12R2.32 c1ccn2c(c1)cc(n2)C=O AB19635 [1,0,0,0,0,0|1,0,1]=3 34 B12R2.32 c1ccn2cc(cc2c1)C=O AB60664 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.32 c1cn2cc(nc2cn1)C=O CB11420 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.32 c1cnc2nc(cn2c1)C=O AB55766 [1,0,0,0,0,0|2,0,1]=4 37 B14R2.450 B(c1cc2ccccc2n1C)(O)O AB08317 [0,1,0,0,0,0|1,0,1]=3 38 B14R2.450 C1=CC2C(=NC(=C2O)C(=O)O)C=C1 AB12541 [0,1,0,0,0,0|0,0,2]=3 39 B14R2.450 Cn1c(cc2c1ncnc2)C(=O)O PB37968 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.450 Cn1c2ccccc2nc1C(=O)O AB09980 [0,1,0,0,0,0|1,0,0]=2 41 B14R2.450 c1ccc2c(c1)C[C@H]([C@H]2N)C(=O)O AB22528 [0,1,0,0,0,0|1,0,2]=4 42 B14R2.450 c1ccc2c(c1)C[C@H]([C@H]2N)C(=O)O AB49810 [0,1,0,0,0,0|1,0,2]=4 43 B14R2.972 C1=CC2C=C(N=C2C=C1)C(=O)NN AB11823 [0,1,0,0,0,0|1,0,2]=4 44 B14R2.972 COC(=O)C1=NC2=C(=C1)C=CC=C2 AB06098 [0,1,0,0,0,0|0,0,2]=3 45 B14R2.972 COC(=O)C1=NC2=C(=C1)C=CC=N2 PB26423 [0,1,0,0,0,0|1,0,2]=4 46 B14R2.972 COC(=O)C1=NC2=C(=C1)C=CN=C2 AB69619 [0,1,0,0,0,0|1,0,2]=4 47 B14R2.972 COC(=O)C1=NC2=CC=CN=C2=C1 PB25160 [0,1,0,0,0,0|1,0,2]=4 48 B14R2.972 COC(=O)c1cc2ncccn2n1 PB24653 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.972 COC(=O)c1cn2ccncc2n1 MB06263 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.972 c1ccc2c(c1)cc(o2)C(=O)C=O AB48663 [0,1,0,0,0,0|1,0,1]=3 51 B14R2.972 c1ccc2c(c1)cc(o2)C(=O)C=O AB51076 [0,1,0,0,0,0|1,0,1]=3 52 B14R2.972 c1ccc2c(c1)cc(s2)C(=O)C=O AB48667 [0,1,0,0,0,0|1,0,1]=3 53 B14R2.972 c1ccn2c(c1)cc(n2)C(=O)NN AB19639 [0,1,0,0,0,0|2,0,1]=4 54 B14R2.4529 B(c1cc2cc(ccc2o1)Br)(O)O AB30182 [0,1,0,0,0,0|2,0,1]=4 55 B14R2.4529 B(c1cc2cc(ccc2s1)Br)(O)O AB30186 [0,1,0,0,0,0|2,0,1]=4 56 B14R2.4529 B(c1cc2cc(ccc2s1)C)(O)O AB23067 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.4529 C1=C(N=C2=C1C=C(N=C2)Br)C(=O)O CB11614 [0,1,0,0,0,0|1,0,2]=4 58 B14R2.4529 C1=C(N=C2=C1C=C(N=C2)Cl)C(=O)O PB14769 [0,1,0,0,0,0|1,0,2]=4 59 B14R2.4529 C1=C(N=C2=C1C=NC(=C2)Cl)C(=O)O PB25228 [0,1,0,0,0,0|1,0,2]=4 60 B14R2.4529 C1=C2C(=CC(=N2)C(=O)O)N=CC1Br PB16784 [0,1,0,0,0,0|1,0,2]=4 61 B14R2.4529 C1=C2C(=CC(=N2)C(=O)O)N=CC1Cl PB13813 [0,1,0,0,0,0|1,0,2]=4 62 B14R2.4529 C1C=C(C=C2C1=NC(=C2)C(=O)O)N CB11144 [0,1,0,0,0,0|0,0,2]=3 63 B14R2.4529 C1C=C(C=C2C1=NC(=N2)C(=O)O)Br AB27852 [0,1,0,0,0,0|1,0,2]=4 64 B14R2.4529 C1C=C(C=C2C1=NC(=N2)C(=O)O)Cl AB28483 [0,1,0,0,0,0|1,0,2]=4 65 B14R2.4529 C1C=C(C=C2C1=NC(=N2)C(=O)O)F AB28490 [0,1,0,0,0,0|1,0,2]=4 66 B14R2.4529 C1C=C(C=C2C1=NC(=N2)C(=O)O)N AB29582 [0,1,0,0,0,0|1,0,2]=4 67 B14R2.4529 C1C=C2C(=CC(=N2)C(=O)O)N=C1Br PB19626 [0,1,0,0,0,0|1,0,2]=4 68 B14R2.4529 C1C=C2C(=CC(=N2)C(=O)O)N=C1Cl PB19602 [0,1,0,0,0,0|1,0,2]=4 69 B14R2.4529 C1C=C2C=C(N=C2C=C1Br)C(=O)O PB19991 [0,1,0,0,0,0|0,0,2]=3 70 B14R2.4529 C1C=C2C=C(N=C2N=C1Br)C(=O)O PB15426 [0,1,0,0,0,0|1,0,2]=4 71 B14R2.4529 C1C=C2C=C(N=C2N=C1Cl)C(=O)O PB31418 [0,1,0,0,0,0|1,0,2]=4 72 B14R2.4529 CC1=CC2C(=NC(=N2)C(=O)O)C=C1 AB29997 [0,1,0,0,0,0|1,0,2]=4 73 B14R2.4529 Cc1ccc2c(c1)cc(o2)C(=O)O MB02658 [0,1,0,0,0,0|1,0,0]=2 74 B14R2.4529 Cc1ccc2c(c1)nc(o2)C(=O)O AB57689 [0,1,0,0,0,0|1,0,1]=3 75 B14R2.4529 Cc1ccc2c(c1)oc(n2)C(=O)O AB57685 [0,1,0,0,0,0|1,0,1]=3 76 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O MB05116 [0,1,0,0,0,0|1,0,0]=2 77 B14R2.4529 Cc1ccc2nc(cn2c1)C(=O)O AB14573 [0,1,0,0,0,0|1,0,1]=3 78 B14R2.4529 Cc1ccn2cc(nc2c1)C(=O)O AB14570 [0,1,0,0,0,0|1,0,1]=3 79 B14R2.4529 c1c(cnc2c1CC(=N2)C(=O)O)Cl PB13183 [0,1,0,0,0,0|1,0,2]=4 80 B14R2.4529 c1c(cnc2c1CC(=N2)C(=O)O)F PB16400 [0,1,0,0,0,0|1,0,2]=4 81 B14R2.4529 c1c(nn2c1ncc(c2)Br)C(=O)O AB05946 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.4529 c1c(nn2c1ncc(c2)Cl)C(=O)O AB45016 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.4529 c1c2cc(sc2ncc1Br)C(=O)O PB24309 [0,1,0,0,0,0|2,0,0]=3 84 B14R2.4529 c1c2nc(cn2cc(n1)Br)C(=O)O AB50587 [0,1,0,0,0,0|2,0,1]=4 85 B14R2.4529 c1c2nc(cn2cc(n1)Cl)C(=O)O AB62874 [0,1,0,0,0,0|2,0,1]=4 86 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br MB02552 [0,1,0,0,0,0|1,0,0]=2 87 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Br PB14483 [0,1,0,0,0,0|1,0,0]=2 88 B14R2.4529 c1cc(cn2c1cc(n2)C(=O)O)Br PB29823 [0,1,0,0,0,0|1,0,1]=3 89 B14R2.4529 c1cc(cn2c1cc(n2)C(=O)O)Cl PB14944 [0,1,0,0,0,0|1,0,1]=3 90 B14R2.4529 c1cc(nn2c1nc(c2)C(=O)O)Cl PB23408 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O MB00634 [0,1,0,0,0,0|1,0,0]=2 92 B14R2.4529 c1cc2c(cc1Br)nc(o2)C(=O)O AB52695 [0,1,0,0,0,0|1,0,1]=3 93 B14R2.4529 c1cc2c(cc1Br)nc(s2)C(=O)O PB14910 [0,1,0,0,0,0|1,0,1]=3 94 B14R2.4529 c1cc2c(cc1Br)oc(n2)C(=O)O AB52699 [0,1,0,0,0,0|1,0,1]=3 95 B14R2.4529 c1cc2c(cc1Br)sc(n2)C(=O)O PB18931 [0,1,0,0,0,0|1,0,1]=3 96 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O MB00499 [0,1,0,0,0,0|1,0,0]=2 97 B14R2.4529 c1cc2c(cc1Cl)nc(o2)C(=O)O AB51022 [0,1,0,0,0,0|1,0,1]=3 98 B14R2.4529 c1cc2c(cc1Cl)oc(n2)C(=O)O AB57669 [0,1,0,0,0,0|1,0,1]=3 99 B14R2.4529 c1cc2c(cc1F)cc(o2)C(=O)O MB06881 [0,1,0,0,0,0|1,0,0]=2 100 B14R2.4529 c1cc2c(cc1F)nc(o2)C(=O)O AB57667 [0,1,0,0,0,0|1,0,1]=3 101 B14R2.4529 c1cc2c(cc1F)oc(n2)C(=O)O AB57663 [0,1,0,0,0,0|1,0,1]=3 102 B14R2.4529 c1cc2nc(cn2cc1Br)C(=O)O PB10307 [0,1,0,0,0,0|1,0,1]=3 103 B14R2.4529 c1cc2nc(cn2cc1Cl)C(=O)O AB11565 [0,1,0,0,0,0|1,0,1]=3 104 B14R2.4529 c1cc2nc(cn2cc1F)C(=O)O AB39280 [0,1,0,0,0,0|1,0,1]=3 105 B14R2.4529 c1cc2nc(cn2cc1I)C(=O)O AB11557 [0,1,0,0,0,0|1,0,1]=3 106 B14R2.4529 c1cc2nc(cn2cc1N)C(=O)O AB39281 [0,1,0,0,0,0|1,0,1]=3 107 B14R2.4529 c1cc2nc(nn2cc1Br)C(=O)O AB65442 [0,1,0,0,0,0|2,0,1]=4 108 B14R2.4529 c1cn2c(cc1Br)cc(n2)C(=O)O PB23023 [0,1,0,0,0,0|1,0,1]=3 109 B14R2.4529 c1cn2cc(nc2cc1Br)C(=O)O PB32835 [0,1,0,0,0,0|1,0,1]=3 110 B14R2.4529 c1cn2cc(nc2cc1F)C(=O)O AB39284 [0,1,0,0,0,0|1,0,1]=3 111 B14R2.7969 C1=C(C2C=C(N=C2N=C1)C(=O)O)Br PB28707 [0,1,0,0,0,0|1,0,2]=4 112 B14R2.7969 C1=C(C2C=C(N=C2N=C1)C(=O)O)Cl PB25638 [0,1,0,0,0,0|1,0,2]=4 113 B14R2.7969 C1C=CC(=C2C1=NC(=C2)C(=O)O)Br MB02441 [0,1,0,0,0,0|0,0,2]=3 114 B14R2.7969 CC(=O)n1cc2c(n1)cccc2Br MB69229 [0,1,0,0,0,0|2,0,1]=4 115 B14R2.7969 Cc1cccc2c1oc(c2)C(=O)O MB09960 [0,1,0,0,0,0|1,0,0]=2 116 B14R2.7969 Cc1cccc2n1cc(n2)C(=O)O AB14494 [0,1,0,0,0,0|1,0,1]=3 117 B14R2.7969 Cc1cccn2c1nc(c2)C(=O)O AB14486 [0,1,0,0,0,0|1,0,1]=3 118 B14R2.7969 c1c2c(c(ncn2)Cl)sc1C(=O)O PB31598 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.7969 c1c2c(ncnc2Cl)sc1C(=O)O PB19719 [0,1,0,0,0,0|3,0,0]=4 120 B14R2.7969 c1cc(c2cc(nn2c1)C(=O)O)Br PB19696 [0,1,0,0,0,0|1,0,1]=3 121 B14R2.7969 c1cc(c2nc(cn2c1)C(=O)O)Br PB22601 [0,1,0,0,0,0|1,0,1]=3 122 B14R2.7969 c1cc2c(c(c1)Br)nc(o2)C(=O)O AB49163 [0,1,0,0,0,0|1,0,1]=3 123 B14R2.7969 c1cc2c(c(c1)Br)nc(s2)C(=O)O PB34596 [0,1,0,0,0,0|1,0,1]=3 124 B14R2.7969 c1cc2c(c(c1)Br)oc(n2)C(=O)O AB52702 [0,1,0,0,0,0|1,0,1]=3 125 B14R2.7969 c1cc2c(c(c1)Br)sc(n2)C(=O)O PB13397 [0,1,0,0,0,0|1,0,1]=3 126 B14R2.7969 c1cc2c(c(c1)F)nc(o2)C(=O)O AB49160 [0,1,0,0,0,0|1,0,1]=3 127 B14R2.7969 c1cc2c(c(c1)F)oc(n2)C(=O)O AB57691 [0,1,0,0,0,0|1,0,1]=3 128 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Br PB18598 [0,1,0,0,0,0|1,0,0]=2 129 B14R2.7969 c1cc2cc(nn2c(c1)Br)C(=O)O PB35423 [0,1,0,0,0,0|1,0,1]=3 130 B14R2.7969 c1cc2cc(oc2c(c1)Br)C(=O)O MB08955 [0,1,0,0,0,0|1,0,0]=2 131 B14R2.7969 c1cc2cc(sc2c(c1)Br)C(=O)O PB28381 [0,1,0,0,0,0|1,0,0]=2 132 B14R2.7969 c1cc2nc(cn2c(c1)Br)C(=O)O PB26606 [0,1,0,0,0,0|1,0,1]=3 133 B14R2.7969 c1cn2cc(nc2c(n1)Cl)C(=O)O AB69406 [0,1,0,0,0,0|2,0,1]=4 134 B14R2.7969 c1cnc2cc(sc2c1Cl)C(=O)O PB15103 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,0,1,0,0,0|2,0,1]=4 136 B12R1.43 c1cc(cnc1)CC(C(=O)O)N AB11720 [0,0,1,0,0,0|1,0,2]=4 137 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N AB03059 [0,0,1,0,0,0|1,0,2]=4 138 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB03057 [0,0,1,0,0,0|1,0,2]=4 139 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB13745 [0,0,1,0,0,0|1,0,2]=4 140 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [0,0,1,0,0,0|0,0,2]=3 141 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [0,0,1,0,0,0|0,0,2]=3 142 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [0,0,1,0,0,0|1,0,2]=4 143 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [0,0,1,0,0,0|0,0,2]=3 144 B12R1.43 c1ccnc(c1)CC(C(=O)O)N AB05436 [0,0,1,0,0,0|1,0,2]=4 145 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N AB05414 [0,0,1,0,0,0|1,0,2]=4 146 B12R1.43 c1cnccc1CC(C(=O)O)N AB21677 [0,0,1,0,0,0|1,0,2]=4 147 B12R1.43 c1cnccc1C[C@H](C(=O)O)N AB10088 [0,0,1,0,0,0|1,0,2]=4 148 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,0,1,0,0,0|1,0,2]=4 149 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,0,1,0,0,0|1,0,2]=4 150 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,0,1,0,0,0|1,0,2]=4 151 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,0,1,0,0,0|1,0,2]=4 152 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,0,1,0,0,0|1,0,2]=4 153 B14R2.768 C1=CC2C(=NC(=N2)CC(=O)O)C=C1 AB08273 [0,0,0,0,0,1|1,0,2]=4 154 B14R2.768 CC(=O)Nc1cc2ccccc2o1 AB63465 [0,0,0,0,0,1|2,0,0]=3 155 B14R2.768 c1ccc2c(c1)CC(=CC(=O)O)C2 AB18149 [0,0,0,0,0,1|1,0,1]=3 156 B14R2.768 c1ccc2c(c1)CC(C2)CC(=O)O AB03118 [0,0,0,0,0,1|1,0,2]=4 157 B14R2.768 c1ccc2c(c1)cn(n2)CC(=O)O AB28369 [0,0,0,0,0,1|1,0,1]=3 158 B14R2.768 c1ccc2c(c1)nc(o2)CC(=O)O AB20838 [0,0,0,0,0,1|1,0,1]=3 159 B14R2.768 c1ccc2c(c1)nc(s2)CC(=O)N AB56175 [0,0,0,0,0,1|2,0,1]=4 160 B14R2.768 c1ccc2c(c1)nc(s2)CC(=O)O AB06316 [0,0,0,0,0,1|1,0,1]=3 161 B14R2.768 c1ccn2cc(nc2c1)CC(=O)O AB15435 [0,0,0,0,0,1|1,0,1]=3 162 B14R2.768 c1cnc2cc(nn2c1)CC(=O)O AB51153 [0,0,0,0,0,1|2,0,1]=4 163 B14R2.781 B(C1=COc2ccccc2O1)(O)O AB30150 [0,0,0,0,0,1|2,0,1]=4 164 B14R2.781 B(c1cc2ccccc2nc1)(O)O AB26441 [0,0,0,0,0,1|1,0,2]=4 165 B14R2.781 B(c1cc2ccccc2nc1)(O)O PB21802 [0,0,0,0,0,1|1,0,2]=4 166 B14R2.781 B(c1ccc2ccccc2c1)(O)O AB05352 [0,0,0,0,0,1|2,0,1]=4 167 B14R2.781 B(c1ccc2ccccc2n1)(O)O AB13731 [0,0,0,0,0,1|1,0,2]=4 168 B14R2.781 CC(=O)c1cc2ccccc2cn1 AB25777 [0,0,0,0,0,1|1,0,1]=3 169 B14R2.781 c1cc(cc2c1ccnc2)C(=O)O MB08772 [0,0,0,0,0,1|2,0,0]=3 170 B14R2.781 c1cc(nc2c1ccnc2)C(=O)O AB64278 [0,0,0,0,0,1|1,0,1]=3 171 B14R2.781 c1cc(nc2c1cncc2)C(=O)O AB04742 [0,0,0,0,0,1|1,0,1]=3 172 B14R2.781 c1cc2c(cc(cn2)C(=O)O)nc1 AB66652 [0,0,0,0,0,1|1,0,1]=3 173 B14R2.781 c1cc2c(cc1C(=O)O)C=CCO2 AB72151 [0,0,0,0,0,1|2,0,1]=4 174 B14R2.781 c1cc2c(cc1C(=O)O)cncn2 PB28286 [0,0,0,0,0,1|3,0,0]=4 175 B14R2.781 c1cc2c(ccc(n2)C(=O)O)nc1 PB30868 [0,0,0,0,0,1|1,0,1]=3 176 B14R2.781 c1cc2cc(cnc2nc1)C(=O)O AB23694 [0,0,0,0,0,1|1,0,1]=3 177 B14R2.781 c1cc2ccc(cc2nc1)C(=O)O MB00424 [0,0,0,0,0,1|2,0,0]=3 178 B14R2.781 c1cc2cnccc2cc1C(=O)O PB31447 [0,0,0,0,0,1|2,0,0]=3 179 B14R2.781 c1cc2cncnc2cc1C(=O)O PB31828 [0,0,0,0,0,1|3,0,0]=4 180 B14R2.781 c1ccc2c(c1)C=C(CO2)C(=O)O AB04721 [0,0,0,0,0,1|1,0,0]=2 181 B14R2.781 c1ccc2c(c1)CC(CN2)C(=O)O AB28363 [0,0,0,0,0,1|0,0,2]=3 182 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O AB15875 [0,0,0,0,0,1|1,0,2]=4 183 B14R2.781 c1ccc2c(c1)CC(NC2)C(=O)O AB24953 [0,0,0,0,0,1|0,0,2]=3 184 B14R2.781 c1ccc2c(c1)CCC(N2)C(=O)O AB10523 [0,0,0,0,0,1|0,0,2]=3 185 B14R2.781 c1ccc2c(c1)CCC(O2)C(=O)O AB01988 [0,0,0,0,0,1|1,0,2]=4 186 B14R2.781 c1ccc2c(c1)CC[C@@H](N2)C(=O)O AB19849 [0,0,0,0,0,1|0,0,2]=3 187 B14R2.781 c1ccc2c(c1)CC[C@H](N2)C(=O)O AB17671 [0,0,0,0,0,1|0,0,2]=3 188 B14R2.781 c1ccc2c(c1)C[C@@H](CO2)C(=O)O AB56516 [0,0,0,0,0,1|1,0,2]=4 189 B14R2.781 c1ccc2c(c1)C[C@H](CO2)C(=O)O AB56534 [0,0,0,0,0,1|1,0,2]=4 190 B14R2.781 c1ccc2c(c1)NC(CO2)C(=O)O AB27563 [0,0,0,0,0,1|0,0,2]=3 191 B14R2.781 c1ccc2c(c1)cc(cn2)C(=N)N AB60891 [0,0,0,0,0,1|2,0,1]=4 192 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O AB00802 [0,0,0,0,0,1|0,0,1]=2 193 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O CB10089 [0,0,0,0,0,1|0,0,1]=2 194 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O AB02856 [0,0,0,0,0,1|0,0,1]=2 195 B14R2.781 c1cncc2c1cc(nc2)C(=O)O PB22836 [0,0,0,0,0,1|1,0,1]=3 196 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [1,0,1,0,0,0|1,0,1]=4 197 B11R1.91 B(\C=C\c1ccccc1)(O)O AB07818 [1,0,1,0,0,0|1,0,1]=4 198 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,1,0,0,0|1,0,0]=3 199 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [2,0,0,0,0,0|1,0,1]=4 200 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [2,0,0,0,0,0|1,0,1]=4 201 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [2,0,0,0,0,0|0,0,1]=3 202 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [2,0,0,0,0,0|2,0,0]=4 203 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [2,0,0,0,0,0|1,0,1]=4 204 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [2,0,0,0,0,0|1,0,1]=4 205 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N AB21662 [0,1,1,0,0,0|0,0,2]=4 206 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N AB01742 [0,1,1,0,0,0|0,0,2]=4 207 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br MB05635 [0,1,1,0,0,0|1,0,1]=4 208 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Br AB00237 [0,1,1,0,0,0|0,0,2]=4 209 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Cl AB00241 [0,1,1,0,0,0|0,0,2]=4 210 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F AB00239 [0,1,1,0,0,0|0,0,2]=4 211 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br AB02494 [0,1,1,0,0,0|0,0,2]=4 212 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl AB02502 [0,1,1,0,0,0|0,0,2]=4 213 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O AB00245 [0,1,1,0,0,0|0,0,2]=4 214 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Cl AB03058 [0,1,1,0,0,0|0,0,2]=4 215 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F AB02498 [0,1,1,0,0,0|0,0,2]=4 216 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O AB02505 [0,1,1,0,0,0|0,0,2]=4 217 B13R1.135 COC(=O)C(Cc1ccccc1)N AB01980 [0,1,1,0,0,0|0,0,2]=4 218 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N AB01100 [0,1,1,0,0,0|0,0,2]=4 219 B13R1.148 Cc1cccc(c1)CC(C(=O)O)N AB21660 [0,1,1,0,0,0|0,0,2]=4 220 B13R1.148 Cc1cccc(c1)C[C@@H](C(=O)O)N AB02005 [0,1,1,0,0,0|0,0,2]=4 221 B13R1.148 Cc1cccc(c1)C[C@H](C(=O)O)N AB10080 [0,1,1,0,0,0|0,0,2]=4 222 B13R1.148 c1cc(cc(c1)Br)CC(C(=O)O)N AB21654 [0,1,1,0,0,0|0,0,2]=4 223 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N AB25927 [0,1,1,0,0,0|0,0,2]=4 224 B13R1.148 c1cc(cc(c1)Br)C[C@H](C(=O)O)N AB25926 [0,1,1,0,0,0|0,0,2]=4 225 B13R1.148 c1cc(cc(c1)Cl)CC(C(=O)O)N AB21649 [0,1,1,0,0,0|0,0,2]=4 226 B13R1.148 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N AB08125 [0,1,1,0,0,0|0,0,2]=4 227 B13R1.148 c1cc(cc(c1)Cl)C[C@H](C(=O)O)N AB09412 [0,1,1,0,0,0|0,0,2]=4 228 B13R1.148 c1cc(cc(c1)F)CC(C(=O)O)N AB00349 [0,1,1,0,0,0|0,0,2]=4 229 B13R1.148 c1cc(cc(c1)F)C[C@@H](C(=O)O)N AB02699 [0,1,1,0,0,0|0,0,2]=4 230 B13R1.148 c1cc(cc(c1)F)C[C@H](C(=O)O)N AB02698 [0,1,1,0,0,0|0,0,2]=4 231 B13R1.148 c1cc(cc(c1)O)CC(C(=O)O)N AB00236 [0,1,1,0,0,0|0,0,2]=4 232 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N AB02492 [0,1,1,0,0,0|0,0,2]=4 233 B13R1.148 c1cc(cc(c1)O)C[C@H](C(=O)O)N AB15920 [0,1,1,0,0,0|0,0,2]=4 234 B13R1.202 Cc1ccccc1CC(C(=O)O)N AB09956 [0,1,1,0,0,0|0,0,2]=4 235 B13R1.202 Cc1ccccc1C[C@@H](C(=O)O)N AB02002 [0,1,1,0,0,0|0,0,2]=4 236 B13R1.202 Cc1ccccc1C[C@H](C(=O)O)N AB10076 [0,1,1,0,0,0|0,0,2]=4 237 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Br AB21653 [0,1,1,0,0,0|0,0,2]=4 238 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl AB01662 [0,1,1,0,0,0|0,0,2]=4 239 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)F AB00346 [0,1,1,0,0,0|0,0,2]=4 240 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)O AB01309 [0,1,1,0,0,0|0,0,2]=4 241 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Br AB13181 [0,1,1,0,0,0|0,0,2]=4 242 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)F AB02697 [0,1,1,0,0,0|0,0,2]=4 243 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)O AB09421 [0,1,1,0,0,0|0,0,2]=4 244 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Br AB13184 [0,1,1,0,0,0|0,0,2]=4 245 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Cl AB02989 [0,1,1,0,0,0|0,0,2]=4 246 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)F AB02696 [0,1,1,0,0,0|0,0,2]=4 247 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)O AB21388 [0,1,1,0,0,0|0,0,2]=4 248 B13R1.418 c1ccc(cc1)CC(CN)C(=O)O AB09206 [0,1,1,0,0,0|0,0,2]=4 249 B13R1.418 c1ccc(cc1)C[C@@H](CN)C(=O)O AB34723 [0,1,1,0,0,0|0,0,2]=4 250 B13R1.418 c1ccc(cc1)C[C@H](CN)C(=O)O AB34725 [0,1,1,0,0,0|0,0,2]=4 251 B13R1.1073 CC(Cc1ccccc1)(C(=O)O)N AB01038 [0,1,1,0,0,0|0,0,2]=4 252 B13R1.1073 C[C@@](Cc1ccccc1)(C(=O)O)N AB04114 [0,1,1,0,0,0|0,0,2]=4 253 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)N AB03937 [0,1,1,0,0,0|0,0,2]=4 254 B13R1.90 c1ccc(c(c1)CCC(=O)O)C=O MB05783 [0,1,1,0,0,0|1,0,1]=4 255 B13R2.26 c1ccc2c(c1)nc(s2)CC=O AB66110 [1,1,0,0,0,0|1,0,1]=4 256 B13R2.43 C1C=C(C=C2C1=NC(=C2)C=O)Br AB27864 [1,1,0,0,0,0|0,0,2]=4 257 B13R2.43 C1C=C(C=C2C1=NC(=C2)C=O)Cl MB04243 [1,1,0,0,0,0|0,0,2]=4 258 B13R2.43 C1C=C2C=C(N=C2C=C1Br)C=O AB26861 [1,1,0,0,0,0|0,0,2]=4 259 B13R2.43 Cc1ccc2c(c1)cc(o2)C=O MB09963 [1,1,0,0,0,0|1,0,0]=3 260 B13R2.43 Cc1ccc2c(c1)nc(o2)C=O AB57714 [1,1,0,0,0,0|1,0,1]=4 261 B13R2.43 Cc1ccc2c(c1)oc(n2)C=O AB57711 [1,1,0,0,0,0|1,0,1]=4 262 B13R2.43 c1cc2c(cc1Br)cc(o2)C=O MB03958 [1,1,0,0,0,0|1,0,0]=3 263 B13R2.43 c1cc2c(cc1Br)cc(s2)C=O MB09873 [1,1,0,0,0,0|1,0,0]=3 264 B13R2.43 c1cc2c(cc1Br)nc(o2)C=O AB49173 [1,1,0,0,0,0|1,0,1]=4 265 B13R2.43 c1cc2c(cc1Br)nc(s2)C=O AB27860 [1,1,0,0,0,0|1,0,1]=4 266 B13R2.43 c1cc2c(cc1Br)oc(n2)C=O AB49181 [1,1,0,0,0,0|1,0,1]=4 267 B13R2.43 c1cc2c(cc1Cl)nc(o2)C=O AB49176 [1,1,0,0,0,0|1,0,1]=4 268 B13R2.43 c1cc2c(cc1Cl)oc(n2)C=O AB49184 [1,1,0,0,0,0|1,0,1]=4 269 B13R2.43 c1cc2c(cc1F)nc(o2)C=O AB49178 [1,1,0,0,0,0|1,0,1]=4 270 B13R2.43 c1cc2c(cc1F)oc(n2)C=O AB49187 [1,1,0,0,0,0|1,0,1]=4 271 B13R2.43 c1cc2nc(cn2cc1Br)C=O PB18770 [1,1,0,0,0,0|1,0,1]=4 272 B13R2.43 c1cc2nc(cn2cc1Cl)C=O AB28937 [1,1,0,0,0,0|1,0,1]=4 273 B13R2.43 c1cc2nc(cn2cc1F)C=O AB55770 [1,1,0,0,0,0|1,0,1]=4 274 B13R2.43 c1cn2cc(nc2cc1Br)C=O PB31464 [1,1,0,0,0,0|1,0,1]=4 275 B13R2.45 CC1=C(N=C2=C1C=CC=C2)C=O AB07796 [1,1,0,0,0,0|0,0,2]=4 276 B13R2.45 Cn1c2ccccc2cc1CO AB18955 [1,1,0,0,0,0|0,0,1]=3 277 B13R2.45 c1ccn2c(c1)nc(c2Cl)C=O AB12779 [1,1,0,0,0,0|1,0,1]=4 278 B13R2.54 Cc1cccc2c1oc(c2)C=O MB09961 [1,1,0,0,0,0|1,0,0]=3 279 B13R2.54 Cc1cccn2c1nc(c2)C=O AB29016 [1,1,0,0,0,0|1,0,1]=4 280 B13R2.54 c1cc(c2nc(cn2c1)C=O)Br PB19146 [1,1,0,0,0,0|1,0,1]=4 281 B13R2.54 c1cc(c2nc(cn2c1)C=O)Cl AB28941 [1,1,0,0,0,0|1,0,1]=4 282 B13R2.54 c1cc2c(c(c1)Br)nc(o2)C=O AB49170 [1,1,0,0,0,0|1,0,1]=4 283 B13R2.54 c1cc2c(c(c1)Br)oc(n2)C=O AB49191 [1,1,0,0,0,0|1,0,1]=4 284 B13R2.54 c1cc2c(c(c1)F)nc(o2)C=O AB49166 [1,1,0,0,0,0|1,0,1]=4 285 B13R2.54 c1cc2c(c(c1)F)oc(n2)C=O AB49195 [1,1,0,0,0,0|1,0,1]=4 286 B13R2.54 c1cc2cc(oc2c(c1)Br)C=O MB10426 [1,1,0,0,0,0|1,0,0]=3 287 B13R2.54 c1cc2nc(cn2c(c1)Br)C=O PB22494 [1,1,0,0,0,0|1,0,1]=4 288 B13R2.54 c1cnc2cc(sc2c1Cl)C=O PB24054 [1,1,0,0,0,0|2,0,0]=4 289 B15R2.1569 COC(=O)Cc1nc2ccccc2s1 AB10925 [0,1,0,0,0,1|1,0,1]=4 290 B15R2.4244 c1ccc2c(c1)cc(o2)[C@@H](C(=O)O)N AB71915 [0,1,0,0,0,1|1,0,0]=3 291 B15R2.4244 c1ccc2c(c1)cc(o2)[C@H](C(=O)O)N AB71917 [0,1,0,0,0,1|1,0,0]=3 292 B15R2.7252 Cc1ccc2nc(cn2c1)CC(=O)O AB16927 [0,1,0,0,0,1|1,0,1]=4 293 B15R2.7252 Cc1ccn2cc(nc2c1)CC(=O)O AB16923 [0,1,0,0,0,1|1,0,1]=4 294 B15R2.7252 c1cc2nc(cn2cc1Br)CC(=O)O AB29003 [0,1,0,0,0,1|1,0,1]=4 295 B15R2.7252 c1cc2nc(cn2cc1Cl)CC(=O)O AB29005 [0,1,0,0,0,1|1,0,1]=4 296 B15R2.13461 Cc1cccn2c1nc(c2)CC(=O)O AB16919 [0,1,0,0,0,1|1,0,1]=4 297 B15R2.627 Cc1c2ccccc2ncc1C(=O)C AB63872 [0,1,0,0,0,1|1,0,1]=4 298 B15R2.627 c1cc2c(c(cnc2nc1)C(=O)O)O AB55275 [0,1,0,0,0,1|1,0,1]=4 299 B15R2.627 c1cc2ccc(c(c2nc1)N)C(=O)O MB06511 [0,1,0,0,0,1|2,0,0]=4 300 B15R2.627 c1ccc2c(c1)c(c(cn2)C(=O)O)O AB06514 [0,1,0,0,0,1|0,0,1]=3 301 B15R2.627 c1ccc2c(c1)ccc(c2N)C(=O)O MB09442 [0,1,0,0,0,1|1,0,0]=3 302 B15R2.984 CN1Cc2ccccc2CC1C(=O)O AB22435 [0,1,0,0,0,1|0,0,2]=4 303 B15R2.984 Cc1c(cc2ccccc2n1)C(=O)O AB06377 [0,1,0,0,0,1|0,0,1]=3 304 B15R2.984 c1cc2cc(c(=O)[nH]c2nc1)C(=O)O AB25887 [0,1,0,0,0,1|1,0,0]=3 305 B15R2.984 c1cc2cc(c(nc2nc1)N)C(=O)O AB25879 [0,1,0,0,0,1|1,0,1]=4 306 B15R2.984 c1ccc2=NC(=O)C(C=c2c1)C(=O)O PB12927 [0,1,0,0,0,1|0,0,2]=4 307 B15R2.984 c1ccc2c(c1)CC(C(=O)N2)C(=O)O CB10393 [0,1,0,0,0,1|0,0,2]=4 308 B15R2.984 c1ccc2c(c1)cc(c(n2)C(=O)O)N AB68884 [0,1,0,0,0,1|0,0,1]=3 309 B15R2.984 c1ccc2c(c1)nc(c(n2)Cl)C(=O)O AB53808 [0,1,0,0,0,1|0,0,1]=3 310 B15R2.1601 COC(=N)c1cc2ccccc2nc1 AB60996 [0,1,0,0,0,1|1,0,1]=4 311 B15R2.1601 COC(=O)C1=Cc2ccccc2OC1 AB04722 [0,1,0,0,0,1|1,0,0]=3 312 B15R2.1601 COC(=O)C1Cc2ccccc2CN1 AB16887 [0,1,0,0,0,1|0,0,2]=4 313 B15R2.1601 COC(=O)[C@@H]1Cc2ccccc2CN1 AB14455 [0,1,0,0,0,1|0,0,2]=4 314 B15R2.1601 COC(=O)[C@H]1Cc2ccccc2CN1 AB27613 [0,1,0,0,0,1|0,0,2]=4 315 B15R2.1601 COC(=O)c1ccc2ccncc2c1 MB09806 [0,1,0,0,0,1|2,0,0]=4 316 B15R2.1601 COC(=O)c1ccc2cnccc2c1 MB09804 [0,1,0,0,0,1|2,0,0]=4 317 B15R2.1601 c1ccc2cc(ccc2c1)C(=O)C=O AB44422 [0,1,0,0,0,1|1,0,1]=4 318 B15R2.7174 Cc1ccc2c(c1)cc(cn2)C(=O)O AB52359 [0,1,0,0,0,1|0,0,1]=3 319 B15R2.7174 c1cc2c(cc1Br)C=C(CO2)C(=O)O AB16979 [0,1,0,0,0,1|1,0,0]=3 320 B15R2.7174 c1cc2c(cc1Br)CC(CN2)C(=O)O AB28366 [0,1,0,0,0,1|0,0,2]=4 321 B15R2.7174 c1cc2c(cc1Br)cc(cn2)C(=O)O AB45078 [0,1,0,0,0,1|0,0,1]=3 322 B15R2.7174 c1cc2c(cc1Cl)cc(cn2)C(=O)O AB52327 [0,1,0,0,0,1|0,0,1]=3 323 B15R2.7174 c1cc2c(cc1F)cc(cn2)C(=O)O AB45133 [0,1,0,0,0,1|0,0,1]=3 324 B15R2.7174 c1cc2c(cc1O)CC(NC2)C(=O)O PB26034 [0,1,0,0,0,1|0,0,2]=4 325 B15R2.7180 Cc1ccc2cc(cnc2c1)C(=O)O AB52449 [0,1,0,0,0,1|0,0,1]=3 326 B15R2.7180 c1cc(cc2c1cc(cn2)C(=O)O)Br AB45080 [0,1,0,0,0,1|0,0,1]=3 327 B15R2.7180 c1cc(cc2c1cc(cn2)C(=O)O)Cl AB45107 [0,1,0,0,0,1|0,0,1]=3 328 B15R2.7180 c1cc(cc2c1cc(cn2)C(=O)O)F AB52424 [0,1,0,0,0,1|0,0,1]=3 329 B15R2.7180 c1cc(nc2c1cc(cc2)Br)C(=O)O AB52745 [0,1,0,0,0,1|0,0,1]=3 330 B15R2.7180 c1cc(nc2c1cc(cc2)Cl)C(=O)O AB52747 [0,1,0,0,0,1|0,0,1]=3 331 B15R2.7180 c1cc(nc2c1cc(cc2)F)C(=O)O AB53376 [0,1,0,0,0,1|0,0,1]=3 332 B15R2.7180 c1cc(nc2c1cc(cc2)O)C(=O)O AB65039 [0,1,0,0,0,1|0,0,1]=3 333 B15R2.7180 c1cc2c(cc1Br)CCC(N2)C(=O)O AB60792 [0,1,0,0,0,1|0,0,2]=4 334 B15R2.13598 Cc1cccc2c1ncc(c2)C(=O)O AB45141 [0,1,0,0,0,1|0,0,1]=3 335 B15R2.13598 c1cc2c(ccnc2Cl)cc1C(=O)O AB70670 [0,1,0,0,0,1|2,0,0]=4 336 B15R2.13598 c1cc2cc(ccc2c(c1)Br)C(=O)O AB43882 [0,1,0,0,0,1|1,0,0]=3 337 B15R2.13598 c1cc2cc(cnc2c(c1)Cl)C(=O)O AB45110 [0,1,0,0,0,1|0,0,1]=3 338 B15R2.13598 c1cc2cc(cnc2c(c1)F)C(=O)O MB09291 [0,1,0,0,0,1|0,0,1]=3 339 B15R2.14951 c1ccc2c(c1)c(=O)[nH]c(n2)C(=O)N AB17517 [0,1,0,0,0,1|1,0,1]=4 340 B15R2.14951 c1ccc2c(c1)c(nc(n2)C(=O)O)Cl AB59123 [0,1,0,0,0,1|0,0,1]=3 341 B15R2.1592 COC(=O)C1=NC2=C(=C1O)C=CC=C2 AB01492 [0,2,0,0,0,0|0,0,2]=4 342 B15R2.1592 COC(=O)c1c(c2c(s1)cccn2)N PB27925 [0,2,0,0,0,0|2,0,0]=4 343 B15R2.13463 Cn1c(cc2c1ncnc2Cl)C(=O)O AB73261 [0,2,0,0,0,0|2,0,0]=4 344 B15R2.1356 CCOC(=O)c1cc2ccccn2n1 AB19628 [0,2,0,0,0,0|1,0,1]=4 345 B15R2.1356 CCOC(=O)c1cc2cccnc2s1 PB30942 [0,2,0,0,0,0|2,0,0]=4 346 B15R2.1356 CCOC(=O)c1cn2ccccc2n1 AB11854 [0,2,0,0,0,0|1,0,1]=4 347 B15R2.1590 COC(=O)C1=NC2=C(=C1)C=C(C=C2)Cl MB03385 [0,2,0,0,0,0|0,0,2]=4 348 B15R2.1590 COC(=O)C1=NC2=C(=C1)C=CC(=C2)Br AB06499 [0,2,0,0,0,0|0,0,2]=4 349 B15R2.1590 COC(=O)C1=NC2=C(=C1)C=CC(=C2)Cl AB20863 [0,2,0,0,0,0|0,0,2]=4 350 B15R2.1590 COC(=O)C1=NC2=C(=C1)C=CC(=C2)N MB05634 [0,2,0,0,0,0|0,0,2]=4 351 B15R2.1590 COC(=O)c1cc2cc(ccc2o1)Br MB02432 [0,2,0,0,0,0|1,0,0]=3 352 B15R2.1590 COC(=O)c1cc2cc(ccc2s1)Br PB18671 [0,2,0,0,0,0|1,0,0]=3 353 B15R2.1590 COC(=O)c1cn2cc(ccc2n1)Br PB26071 [0,2,0,0,0,0|1,0,1]=4 354 B15R2.1598 COC(=O)C1=Cc2c(cncc2Cl)C1 MB08834 [0,2,0,0,0,0|2,0,0]=4 355 B15R2.1598 COC(=O)c1cc2c(s1)c(ccn2)Cl PB34893 [0,2,0,0,0,0|2,0,0]=4 356 B15R2.1598 COC(=O)c1cc2c(s1)cccc2Br PB30905 [0,2,0,0,0,0|1,0,0]=3 357 B15R2.1598 COC(=O)c1cc2c(s1)cncc2Br PB17516 [0,2,0,0,0,0|2,0,0]=4 358 B15R2.1598 COC(=O)c1cc2cccc(c2s1)Br PB16084 [0,2,0,0,0,0|1,0,0]=3 359 B15R2.1102 c1c2c(cc(c1F)F)oc(n2)C(=O)O AB57683 [0,2,0,0,0,0|1,0,1]=4 360 B15R2.4834 COc1ccc2c(c1)nc(o2)C(=O)O AB51020 [0,2,0,0,0,0|1,0,1]=4 361 B15R2.4834 COc1ccc2c(c1)oc(n2)C(=O)O AB57673 [0,2,0,0,0,0|1,0,1]=4 362 B15R2.4834 c1cc2c(cc1C#N)oc(n2)C(=O)O AB57697 [0,2,0,0,0,0|1,0,1]=4 363 B15R2.7254 C1C=C2C(=CC(=N2)C(=O)O)C(=C1Cl)F AB53306 [0,2,0,0,0,0|0,0,2]=4 364 B15R2.15633 c1c(cc(c2c1CC(=N2)C(=O)O)F)F MB02144 [0,2,0,0,0,0|0,0,2]=4 365 B15R2.20824 c1cc(c2c(c1)nc(o2)C(=O)O)C#N AB57695 [0,2,0,0,0,0|1,0,1]=4 366 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,0,1,1,0,0|0,0,2]=4 367 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [0,0,1,1,0,0|2,0,0]=4 368 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [0,0,1,1,0,0|2,0,0]=4 369 B13R2.72 c1ccc2c(c1)CNC2C(=O)O AB08706 [0,0,1,1,0,0|0,0,2]=4 370 B13R2.72 c1ccc2c(c1)c(co2)C(=O)O AB07951 [0,0,1,1,0,0|2,0,0]=4 371 B13R2.72 c1ccc2c(c1)c(no2)C(=O)O AB26306 [0,0,1,1,0,0|1,0,1]=4 372 B13R2.72 c1ccc2c(c1)c(ns2)C(=O)O AB09662 [0,0,1,1,0,0|1,0,1]=4 373 B13R2.72 c1ccn2c(c1)ncc2C(=O)O AB09861 [0,0,1,1,0,0|1,0,0]=3 374 B13R2.72 c1ccn2cnc(c2c1)C(=O)O PB32988 [0,0,1,1,0,0|1,0,1]=4 375 B13R2.430 C1C=C2C=CN=C2C=C1C(=O)O PB12137 [0,0,1,1,0,0|2,0,0]=4 376 B13R2.430 c1cc(cc2c1cco2)C(=O)O MB01639 [0,0,1,1,0,0|2,0,0]=4 377 B13R2.430 c1cc2c(cco2)cc1C(=O)O MB01638 [0,0,1,1,0,0|2,0,0]=4 378 B13R2.430 c1cc2c(ccs2)cc1C(=O)O MB03434 [0,0,1,1,0,0|2,0,0]=4 379 B13R2.5569 c1cc(c2ccoc2c1)C(=O)O PB31474 [0,0,1,1,0,0|2,0,0]=4 380 B13R2.5569 c1cc(n2c(c1)ncn2)C(=O)O PB21429 [0,0,1,1,0,0|2,0,0]=4 381 B13R2.5569 c1cc(n2ccnc2c1)C(=O)O PB29683 [0,0,1,1,0,0|1,0,0]=3 382 B13R2.5569 c1cc(n2cnnc2c1)C(=O)O PB30200 [0,0,1,1,0,0|2,0,0]=4 383 B13R2.5569 c1cc2ccnn2c(c1)C(=O)O AB28425 [0,0,1,1,0,0|1,0,0]=3 384 B13R2.5569 c1cc2ccsc2c(c1)C(=O)O AB45816 [0,0,1,1,0,0|2,0,0]=4 385 B13R2.5569 c1cc2cncn2c(c1)C(=O)O AB28971 [0,0,1,1,0,0|1,0,0]=3 386 B13R2.5569 c1cnc(c2c1ccs2)C(=O)O PB23924 [0,0,1,1,0,0|1,0,1]=4 387 B11R1.36 B(C(=C)c1ccccc1)(O)O AB08051 [0,0,1,0,1,0|1,0,1]=4 388 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB06681 [0,0,1,0,1,0|1,0,1]=4 389 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB12427 [0,0,1,0,1,0|1,0,1]=4 390 B11R1.36 c1cc(cnc1)[C@@H](C(=O)O)N AB30490 [0,0,1,0,1,0|1,0,1]=4 391 B11R1.36 c1cc(cnc1)[C@H](C(=O)O)N AB33298 [0,0,1,0,1,0|1,0,1]=4 392 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,0,1,0,1,0|0,0,1]=3 393 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,0,1,0,1,0|0,0,1]=3 394 B11R1.36 c1ccnc(c1)C(C(=O)O)N AB21618 [0,0,1,0,1,0|1,0,1]=4 395 B11R1.36 c1ccnc(c1)[C@@H](C(=O)O)N AB30492 [0,0,1,0,1,0|1,0,1]=4 396 B11R1.36 c1ccnc(c1)[C@H](C(=O)O)N AB33283 [0,0,1,0,1,0|1,0,1]=4 397 B11R1.36 c1cnccc1C(C(=O)O)N AB21617 [0,0,1,0,1,0|1,0,1]=4 398 B11R1.36 c1cnccc1[C@@H](C(=O)O)N AB30487 [0,0,1,0,1,0|1,0,1]=4 399 B11R1.36 c1cnccc1[C@H](C(=O)O)N AB33310 [0,0,1,0,1,0|1,0,1]=4 400 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,0,1,0,1,0|2,0,0]=4 401 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,0,1,0,1,0|1,0,1]=4 402 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,0,1,0,1,0|0,0,1]=3 403 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,0,1,0,1,0|2,0,0]=4 404 B13R1.351 c1ccc(cc1)CCC(C(=O)O)N AB02512 [0,0,1,0,0,1|0,0,2]=4 405 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N AB00246 [0,0,1,0,0,1|0,0,2]=4 406 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Br AB52820 [0,0,1,0,0,1|1,0,1]=4 407 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Cl AB07374 [0,0,1,0,0,1|1,0,1]=4 408 B13R1.158 c1ccc(c(c1)NCCC(=O)O)I AB44265 [0,0,1,0,0,1|1,0,1]=4 409 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [1,0,0,0,0,1|2,0,0]=4 410 B13R2.57 c1cc2c(ccc(n2)C=O)nc1 AB64522 [1,0,0,0,0,1|1,0,1]=4 411 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [1,0,0,0,0,1|2,0,0]=4 412 B13R2.57 c1cc2cc(cnc2nc1)C=O AB68442 [1,0,0,0,0,1|1,0,1]=4 413 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [1,0,0,0,0,1|2,0,0]=4 414 B13R2.57 c1cc2ccc(nc2nc1)C=O CB10823 [1,0,0,0,0,1|1,0,1]=4 415 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [1,0,0,0,0,1|2,0,0]=4 416 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O AB09669 [1,0,0,0,0,1|1,0,0]=3 417 B13R2.57 c1ccc2c(c1)cc(cn2)C=O AB00811 [1,0,0,0,0,1|0,0,1]=3 418 B13R2.57 c1ccc2c(c1)cc(cn2)CO MB02778 [1,0,0,0,0,1|0,0,2]=4 419 B13R2.57 c1ccc2c(c1)cnc(n2)C=O AB60727 [1,0,0,0,0,1|0,0,1]=3 420 B13R2.57 c1ccc2c(c1)ncc(n2)C=O CB10349 [1,0,0,0,0,1|0,0,1]=3 421 B13R2.57 c1ccc2cnc(cc2c1)C=O AB23480 [1,0,0,0,0,1|0,0,1]=3