0 B13R2.3678 O=C(O)C1=CC2=C(S1)C(Br)=CS2 SY059705 [0,1,0,0,0,0|2,0,0]=3 1 B11R1.35 NC(CC1=CN=CS1)C(=O)O SY245713 [0,0,1,0,0,0|0,0,2]=3 2 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SY035273 [0,0,1,0,0,0|1,0,2]=4 3 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O SY035318 [0,0,1,0,0,0|1,0,2]=4 4 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 SY004023 [0,0,0,0,0,1|2,0,1]=4 5 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 SY069193 [0,0,0,0,0,1|3,0,0]=4 6 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 SY016704 [0,0,0,0,0,1|3,0,0]=4 7 B13R2.430 O=C(O)C1=CC2=NC=NN2C=C1 SY098766 [0,0,0,0,0,1|3,0,0]=4 8 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 SY039595 [0,0,0,0,0,1|3,0,0]=4 9 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 SY004025 [0,0,0,0,0,1|2,0,1]=4 10 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 SY046615 [0,0,0,0,0,1|2,1,0]=4 11 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 SY018731 [0,0,0,0,0,1|1,1,0]=3 12 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 SY006123 [0,0,0,0,0,1|1,0,0]=2 13 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 SY002468 [0,0,0,0,0,1|2,0,0]=3 14 B13R2.430 O=C(O)C1=CC=C2NN=NC2=C1 SY002052 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 SY003675 [0,0,0,0,0,1|2,1,0]=4 16 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 SY008172 [0,0,0,0,0,1|1,1,0]=3 17 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 SY027147 [0,0,0,0,0,1|1,0,0]=2 18 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 SY005596 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 SY119067 [0,0,0,0,0,1|2,0,1]=4 20 B13R2.430 O=C(O)C1=CN2N=CN=C2C=C1 SY033499 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 SY022609 [0,0,0,0,0,1|1,0,2]=4 22 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 SY013959 [0,0,0,0,0,1|1,0,2]=4 23 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 SY225211 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 SY024866 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 SY003715 [0,0,0,0,0,1|2,0,0]=3 26 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 SY005603 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 SY003106 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 SY016149 [0,0,0,0,0,1|2,0,0]=3 29 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 SY004412 [0,0,0,0,0,1|1,0,0]=2 30 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 SY022481 [0,0,0,0,0,1|2,0,1]=4 31 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 SY286053 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.435 O=C(O)C1=NC2=C(C=NC=C2)S1 SY267100 [0,0,0,0,0,1|3,0,0]=4 33 B10R1.66 O=C(O)\C=C/C1=CC=CO1 SY056646 [1,0,1,0,0,0|1,1,0]=4 34 B10R1.66 O=C(O)\C=C\C1=CC=CO1 SY009542 [1,0,1,0,0,0|1,1,0]=4 35 B10R1.66 O=C(O)\C=C\C1=COC=C1 SY278590 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.66 O=C(O)\C=C\C1=NC=CS1 SY041142 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.31 COC1=CNC(C(=O)O)=C1 SY247648 [1,0,1,0,0,0|0,1,1]=4 38 B10R1.31 O=CC1=CC=C(C(=O)O)O1 SY050542 [1,0,1,0,0,0|1,1,0]=4 39 B12R1.145 CC1=C(CC(N)C(=O)O)SC=N1 SY044875 [0,1,1,0,0,0|0,0,2]=4 40 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2N1 SY018444 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2O1 SY056798 [0,1,0,0,0,1|1,1,0]=4 42 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 SY015995 [0,1,0,0,0,1|1,1,0]=4 43 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 SY147812 [0,1,0,0,0,1|1,0,0]=3 44 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 SY017790 [0,1,0,0,0,1|1,0,0]=3 45 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2N1 SY039617 [0,1,0,0,0,1|2,0,0]=4 46 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2S1 SY029797 [0,1,0,0,0,1|1,0,0]=3 47 B14R2.601 NC1=NC2=CC=C(C(=O)O)C=C2S1 SY018451 [0,1,0,0,0,1|1,0,0]=3 48 B14R2.601 O=C(O)C1=CC=C2N=C(O)SC2=C1 SY263165 [0,1,0,0,0,1|1,0,0]=3 49 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 SY007514 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.966 COC(=O)C1=CC=C2N=COC2=C1 SY022493 [0,1,0,0,0,1|1,1,0]=4 51 B14R2.966 COC(=O)C1=CC=C2OC=NC2=C1 SY022495 [0,1,0,0,0,1|1,1,0]=4 52 B14R2.966 COC(=O)C1=CC=C2SN=NC2=C1 SY040443 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.5719 CN1C=NC2=CC(C(=O)O)=CC=C21 SY024933 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 SY101248 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 SY050484 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 SY035628 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.450 NC1=C(C(=O)O)SC2=NC=NC=C21 SY021773 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 SY006239 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 SY021058 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 SY005381 [0,1,0,0,0,1|1,0,0]=3 61 B14R2.972 COC(=O)C1=CC2=CC=CN=C2S1 SY297120 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 SY004470 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.4529 CC1=CC2=C(C=N1)NC(C(=O)O)=C2 SY241501 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 SY051129 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 SY041968 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 SY101335 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 SY035588 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 SY004252 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 SY022888 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 SY042599 [0,1,0,0,0,1|1,0,0]=3 71 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 SY037268 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 SY031913 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 SY059457 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 SY110415 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2N1 SY098773 [0,1,0,0,0,1|1,0,0]=3 76 B14R2.7969 O=C(O)C1=NC2=C(Cl)C=CN=C2N1 SY273274 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 SY021203 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.23 NC(C(=O)O)C1=CC=CS1 SY014049 [0,0,1,0,1,0|1,0,1]=4 79 B10R1.64 CC1=C(CC(=O)O)SC=N1 SY033094 [0,0,1,0,1,0|1,0,1]=4 80 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 SY042244 [1,0,0,0,0,1|2,0,0]=4 81 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 SY065641 [1,0,0,0,0,1|2,0,0]=4 82 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 SY066930 [1,0,0,0,0,1|1,0,0]=3 83 B12R2.44 O=CC1=CC=C2NC=NC2=C1 SY002474 [1,0,0,0,0,1|2,0,0]=4 84 B12R2.44 O=CC1=CN=C2NC=NC2=C1 SY285121 [1,0,0,0,0,1|2,0,0]=4 85 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 SY005145 [0,0,0,0,0,2|2,0,0]=4 86 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=N2 SY004481 [0,0,0,0,0,2|2,0,0]=4 87 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 SY003115 [0,0,0,0,0,2|2,0,0]=4 88 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 SY045236 [0,0,0,0,0,2|2,0,0]=4