0 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CS-0059232 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 CS-D0712 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 FC(F)C1=NC2=CC=CC=C2N1 CS-B0299 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CS-W004876 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS-0037560 [0,0,0,0,0,0|1,0,1]=2 5 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 CS-W022940 [0,0,0,0,0,0|1,0,1]=2 6 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 CS-M2631 [0,0,0,0,0,0|0,0,2]=2 7 B12R2.32 ClCC1=NC2=CC=CC=C2N1 CS-M0360 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 CS-W022576 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.32 NCC1=NC2=CC=CC=C2N1 CS-W005436 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 CS-0058435 [1,0,0,0,0,0|1,0,0]=2 11 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS-W016366 [1,0,0,0,0,0|0,0,0]=1 12 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CS-W004842 [1,0,0,0,0,0|1,0,0]=2 13 B12R2.32 O=CC1=CC2=CC=CC=C2S1 CS-W007442 [1,0,0,0,0,0|1,0,0]=2 14 B12R2.32 O=CC1=NC2=CC=CC=C2S1 CS-W013251 [1,0,0,0,0,0|1,0,1]=3 15 B12R2.32 OCC1=CC2=CC=CC=C2S1 CS-W017901 [1,0,0,0,0,0|1,0,1]=3 16 B12R2.32 OCC1=NC2=CC=CC=C2S1 CS-W017888 [1,0,0,0,0,0|1,0,2]=4 17 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS-W007740 [0,1,0,0,0,0|0,0,0]=1 18 B14R2.450 NC(=O)C1=C(N)C2=CC=CC=C2O1 CS-W017411 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 CS-0044445 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 CS-M2632 [0,1,0,0,0,0|0,0,0]=1 21 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 CS-0043114 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 CS-M1687 [0,1,0,0,0,0|0,0,2]=3 23 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 CS-W007370 [0,1,0,0,0,0|0,0,0]=1 24 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 CS-0081874 [0,1,0,0,0,0|0,0,0]=1 25 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 CS-0033871 [0,1,0,0,0,0|1,0,0]=2 26 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2O1 CS-0005588 [0,1,0,0,0,0|1,0,0]=2 27 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2S1 CS-0034958 [0,1,0,0,0,0|1,0,0]=2 28 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2O1 CS-0102742 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=NC2=N1 CS-0102119 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.4529 OB(O)C1=CC2=CC(Br)=CC=C2O1 CS-0029510 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.4529 OB(O)C1=CC2=CC(F)=CC=C2O1 CS-W007009 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.7969 CC1=CC=CC2=NC(C(=O)O)=CN12 CS-W022415 [0,1,0,0,0,0|1,0,1]=3 33 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 CS-0042145 [0,1,0,0,0,0|1,0,0]=2 34 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2F)S1 CS-0042879 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [0,0,1,0,0,0|1,0,0]=2 36 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W007567 [0,0,1,0,0,0|1,0,2]=4 37 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O CS-0015951 [0,0,1,0,0,0|1,0,2]=4 38 B12R1.125 O=C(O)CSC1=CC=CC=C1Cl CS-B1577 [0,0,1,0,0,0|2,0,1]=4 39 B14R2.781 NC(=O)C1=CC=C2C=CC=CC2=C1 CS-W021732 [0,0,0,0,0,1|2,0,0]=3 40 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS-W007437 [0,0,0,0,0,1|1,0,0]=2 41 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 CS-W004855 [0,0,0,0,0,1|2,0,0]=3 42 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CS-W002071 [0,0,0,0,0,1|0,0,1]=2 43 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS-W004987 [0,0,0,0,0,1|0,0,2]=3 44 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 CS-0038563 [0,0,0,0,0,1|1,0,2]=4 45 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 CS-D1187 [0,0,0,0,0,1|0,0,2]=3 46 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [1,0,1,0,0,0|1,0,0]=3 47 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [1,0,1,0,0,0|0,0,1]=3 48 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [1,0,1,0,0,0|1,0,0]=3 49 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0033829 [1,0,1,0,0,0|1,0,1]=4 50 B11R2.10 BrC1=NC2=CC=CC=C2N1 CS-B1157 [2,0,0,0,0,0|2,0,0]=4 51 B11R2.10 CC1=CC2=C(C=CC=C2)S1 CS-W021725 [2,0,0,0,0,0|1,0,1]=4 52 B11R2.10 CC1=CC2=CC=CN=C2N1 CS-D0723 [2,0,0,0,0,0|1,0,1]=4 53 B11R2.10 CC1=NC2=CC=CC=C2N1 CS-W013410 [2,0,0,0,0,0|1,0,1]=4 54 B11R2.10 N=C1NC2=CC=CC=C2O1 CS-W007637 [2,0,0,0,0,0|2,0,0]=4 55 B11R2.10 NC1=NC2=CC=CC=C2N1 CS-D1373 [2,0,0,0,0,0|2,0,0]=4 56 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [2,0,0,0,0,0|1,0,1]=4 57 B11R2.10 O=C1CC2=CC=CN=C2N1 CS-W019704 [2,0,0,0,0,0|1,0,1]=4 58 B11R2.10 O=C1NC2=C(C=CC=C2)S1 CS-W019496 [2,0,0,0,0,0|1,0,0]=3 59 B11R2.10 O=C1NC2=NC=CC=C2O1 CS-0012220 [2,0,0,0,0,0|2,0,0]=4 60 B11R2.10 OC1=CC2=C(N=CC=C2)N1 CS-0044054 [2,0,0,0,0,0|1,0,0]=3 61 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 CS-W022741 [0,1,1,0,0,0|0,0,2]=4 62 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O CS-0030550 [0,1,1,0,0,0|0,0,2]=4 63 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O CS-W012188 [0,1,1,0,0,0|0,0,2]=4 64 B13R1.133 [C@@H](N)(CC1=CC=C(Cl)C=C1)C(=O)O CS-W013201 [0,1,1,0,0,0|0,0,2]=4 65 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CS-W020565 [0,1,1,0,0,0|0,0,2]=4 66 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O CS-0041703 [0,1,1,0,0,0|0,0,2]=4 67 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O CS-W010498 [0,1,1,0,0,0|0,0,2]=4 68 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O CS-0011436 [0,1,1,0,0,0|0,0,2]=4 69 B13R1.202 N[C@@H](CC1=CC=CC=C1Br)C(=O)O CS-0059190 [0,1,1,0,0,0|0,0,2]=4 70 B13R1.202 N[C@H](CC1=CC=CC=C1F)C(=O)O CS-W010744 [0,1,1,0,0,0|0,0,2]=4 71 B13R1.164 O=C(O)\C=C\C1=CC=C(Cl)C=C1Cl CS-0058404 [0,1,1,0,0,0|1,0,0]=3 72 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)N1 CS-B1690 [1,1,0,0,0,0|0,0,0]=2 73 B13R2.43 O=CC1=CC2=CC(Br)=CC=C2S1 CS-0096056 [1,1,0,0,0,0|1,0,0]=3 74 B13R2.43 O=CC1=CN2C=C(Br)C=CC2=N1 CS-0042498 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.43 O=CC1=NC2=C(C=CC(F)=C2)N1 CS-0043844 [1,1,0,0,0,0|1,0,0]=3 76 B13R2.43 OCC1=NC2=CC=C(F)C=C2N1 CS-0097344 [1,1,0,0,0,0|1,0,1]=4 77 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 CS-0061738 [1,1,0,0,0,0|0,0,0]=2 78 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 CS-0103336 [1,1,0,0,0,0|0,0,0]=2 79 B13R2.54 O=CC1=CN2C(Br)=CC=CC2=N1 CS-0041955 [1,1,0,0,0,0|1,0,1]=4 80 B13R2.54 O=CC1=CN2C(Cl)=CC=CC2=N1 CS-0100658 [1,1,0,0,0,0|1,0,1]=4 81 B15R2.7252 O=C(O)CC1=CN2C=C(Br)C=CC2=N1 CS-0042500 [0,1,0,0,0,1|1,0,1]=4 82 B15R2.627 O=C(O)C1=COC2=CC=CC=C2C1=O CS-W015906 [0,1,0,0,0,1|1,0,0]=3 83 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O CS-W005148 [0,1,0,0,0,1|1,0,0]=3 84 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1Cl CS-0097845 [0,1,0,0,0,1|0,0,1]=3 85 B15R2.984 O=C(O)C1=CC2=CC=CC=C2NC1=O CS-W023156 [0,1,0,0,0,1|0,0,0]=2 86 B15R2.1601 COC(=O)C1=CC2=C(C=CC=C2)C=N1 CS-W016858 [0,1,0,0,0,1|0,0,1]=3 87 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2N=C1 CS-W008667 [0,1,0,0,0,1|0,0,1]=3 88 B15R2.7180 CC(=O)C1=CC=C2C=C(Br)C=CC2=C1 CS-0041458 [0,1,0,0,0,1|2,0,0]=4 89 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2C=C1 CS-W016817 [0,1,0,0,0,1|1,0,0]=3 90 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=C1 CS-W009021 [0,1,0,0,0,1|1,0,0]=3 91 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=C1 CS-W022315 [0,1,0,0,0,1|1,0,0]=3 92 B15R2.13598 O=C(O)C1=NC2=CC=CC(Br)=C2C=C1 CS-W022339 [0,1,0,0,0,1|0,0,1]=3 93 B15R2.14951 O=C(O)C1=CC(O)=C2C=CC=CC2=C1 CS-B0399 [0,1,0,0,0,1|1,0,0]=3 94 B15R2.14951 O=C1CC(C(=O)O)CC2=C1C=CC=C2 CS-0040804 [0,1,0,0,0,1|1,0,1]=4 95 B15R2.61353 O=C(O)C1=CC2=C(Br)C=CN=C2C=C1 CS-W006605 [0,1,0,0,0,1|2,0,0]=4 96 B15R2.61353 O=C(O)C1=NC2=C(O)C=CC=C2C=C1 CS-0059230 [0,1,0,0,0,1|0,0,1]=3 97 B15R2.14758 CN1C(C(=O)O)=CC2=CC(Cl)=CC=C21 CS-W006501 [0,2,0,0,0,0|0,0,0]=2 98 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)N1 CS-D1745 [0,2,0,0,0,0|0,0,0]=2 99 B15R2.1598 COC(=O)C1=CC2=C(C=NC=C2Br)S1 CS-0041247 [0,2,0,0,0,0|2,0,0]=4 100 B15R2.1598 COC(=O)C1=CC2=CC=CC(Cl)=C2S1 CS-M1617 [0,2,0,0,0,0|1,0,0]=3 101 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 CS-W010727 [0,2,0,0,0,0|0,0,0]=2 102 B15R2.15633 O=C(O)C1=CC2=C(C=C(Cl)C=C2Cl)N1 CS-W022054 [0,2,0,0,0,0|0,0,0]=2 103 B15R2.15633 O=C(O)C1=CC2=C(N1)C(Br)=CC(Cl)=C2 CS-0041232 [0,2,0,0,0,0|0,0,0]=2 104 B15R2.20824 COC1=CC=CC2=C1OC(C(=O)O)=C2 CS-0046218 [0,2,0,0,0,0|1,0,0]=3 105 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 CS-W023110 [0,0,1,1,0,0|2,0,0]=4 106 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 CS-W022763 [0,0,1,1,0,0|1,0,1]=4 107 B13R2.5569 O=C(O)C1=CC=CC2=C1OC=C2 CS-0043878 [0,0,1,1,0,0|2,0,0]=4 108 B13R2.5569 O=C(O)C1=NC=CC2=C1NC=C2 CS-WAA0334 [0,0,1,1,0,0|1,0,1]=4 109 B11R1.86 O=C(O)CC1=CC=CC=C1Br CS-W007544 [0,0,1,0,1,0|1,0,1]=4 110 B13R1.158 O=C(O)C\C=C\C1=CC=CC=C1F CS-M0695 [0,0,1,0,0,1|1,0,0]=3 111 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS-W002012 [1,0,0,0,0,1|0,0,1]=3 112 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS-W018545 [1,0,0,0,0,1|2,0,0]=4