0 B15R2.984 NC1=C(C(=O)O)C=C2C=CC=CC2=C1 SY049342 [0,0,0,0,0,0|2,0,0]=2 1 B15R2.984 NC1=NC2=CC=CC=C2C=C1C(=O)O SY041506 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1Cl SY034199 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1O SY033881 [0,0,0,0,0,0|1,0,1]=2 4 B15R2.984 O=[N+]([O-])C1=CC2=CC=CC=C2N=C1Cl SY161874 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.781 CC(=O)C1=CC2=C(C=C1)N=CC=C2 SY006186 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.781 CC(=O)C1=CN=C2C=CC=CC2=C1 SY011820 [1,0,0,0,0,0|2,0,0]=3 7 B14R2.781 CC(=O)C1=NC2=C(C=CC=C2)N=C1 SY005383 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.781 NC(=O)C1=CC=C2C=CC=CC2=C1 SY109446 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.781 NC(=O)C1=CC=C2N=CC=CC2=C1 SY024514 [1,0,0,0,0,0|3,0,0]=4 10 B14R2.781 NC(=O)C1=NC2=CC=CC=C2N=C1 SY032750 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 SY005145 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=N2 SY004481 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=N1 SY048006 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)N=C1 SY004162 [1,0,0,0,0,0|1,0,0]=2 15 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 SY003115 [1,0,0,0,0,0|2,0,0]=3 16 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 SY001304 [1,0,0,0,0,0|2,0,0]=3 17 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 SY002404 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 SY112327 [1,0,0,0,0,0|3,0,0]=4 19 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 SY014652 [1,0,0,0,0,0|2,0,0]=3 20 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=N1 SY029484 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 SY003328 [1,0,0,0,0,0|1,0,2]=4 22 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 SY004117 [1,0,0,0,0,0|2,0,1]=4 23 B14R2.781 OB(O)C1=CC=C2C=CC=CC2=C1 SY004747 [1,0,0,0,0,0|2,0,1]=4 24 B14R2.1128 O=CC1=C(F)C=C2C=CC=CC2=C1 SY275318 [1,0,0,0,0,0|2,0,0]=3 25 B14R2.1128 O=CC1=C(O)C=C2C=CC=CC2=C1 SY028654 [1,0,0,0,0,0|1,0,1]=3 26 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Cl SY034207 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.1128 O=CC1=NC2=CC=CC=C2N=C1Br SY034213 [1,0,0,0,0,0|3,0,0]=4 28 B14R2.1128 OCC1=C(F)C=C2C=CC=CC2=C1 SY280119 [1,0,0,0,0,0|2,0,1]=4 29 B16R2.23520 O=C(O)C1=CC2=C(C=C(O)C=C2)OC1=O SY055309 [0,1,0,0,0,0|0,0,0]=1 30 B16R2.23521 O=C(O)C1=C(O)C=C2C=CC(Br)=CC2=C1 SY050712 [0,1,0,0,0,0|1,0,1]=3 31 B16R2.33941 COC(=O)C1=C(F)C=C2C=CC=CC2=C1 SY034650 [0,1,0,0,0,0|2,0,0]=3 32 B16R2.33941 COC(=O)C1=C(N)C=C2C=CC=CC2=C1 SY178120 [0,1,0,0,0,0|2,0,0]=3 33 B16R3.17428 O=C1COC2=CC3=CC=CC=C3C=C12 SY058309 [0,0,0,1,0,0|2,0,1]=4 34 B16R3.17428 O=C1NOC2=CC3=CC=CC=C3C=C12 SY280825 [0,0,0,1,0,0|2,0,1]=4 35 B14R2.450 CC(=O)N1SC2=CC=CC=C2C1=O SY293843 [0,0,0,0,1,0|3,0,0]=4 36 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 SY101248 [0,0,0,0,1,0|2,0,0]=3 37 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 SY050484 [0,0,0,0,1,0|2,0,0]=3 38 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O SY104155 [0,0,0,0,1,0|3,0,0]=4 39 B14R2.450 NC(=O)N1SC2=CC=CC=C2C1=O SY293836 [0,0,0,0,1,0|3,0,0]=4 40 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 SY035628 [0,0,0,0,1,0|3,0,0]=4 41 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 SY006239 [0,0,0,0,1,0|2,0,0]=3 42 B14R2.624 O=C(O)C1=CC2=C(C=CN2)C=C1Br SY300095 [0,0,0,0,1,0|3,0,0]=4 43 B14R2.624 O=C(O)C1=CC2=C(C=CN2)C=C1O SY293900 [0,0,0,0,1,0|2,0,1]=4 44 B14R2.642 CN1N=C2C=CC=CC2=C1C(=O)O SY047052 [0,0,0,0,1,0|3,0,0]=4 45 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 SY106378 [2,0,0,0,0,0|2,0,0]=4 46 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 SY002981 [2,0,0,0,0,0|1,0,0]=3 47 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 SY006068 [2,0,0,0,0,0|2,0,0]=4 48 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 SY050688 [2,0,0,0,0,0|2,0,0]=4 49 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 SY019180 [2,0,0,0,0,0|2,0,0]=4 50 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 SY021110 [2,0,0,0,0,0|1,0,1]=4 51 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1O SY020106 [2,0,0,0,0,0|2,0,0]=4 52 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O SY254129 [2,0,0,0,0,0|2,0,0]=4 53 B13R2.369 OC1=C(Br)C=C2C=CC=CC2=C1 SY055576 [2,0,0,0,0,0|2,0,0]=4 54 B13R2.369 OC1=CC2=C(C=CC=C2)C=C1O SY015230 [2,0,0,0,0,0|1,0,1]=4 55 B15R2.627 NC1=C2C=CC=CC2=CC=C1C(=O)O SY027705 [1,1,0,0,0,0|1,0,0]=3 56 B15R2.627 O=C(O)C1=C(O)C2=C(C=CC=C2)C=C1 SY007524 [1,1,0,0,0,0|1,0,0]=3 57 B15R2.627 O=C(O)C1=C(O)C2=C(C=CC=C2)N=C1 SY003660 [1,1,0,0,0,0|1,0,0]=3 58 B15R2.627 O=C(O)C1=C(O)C2=NC=CC=C2N=C1 SY058533 [1,1,0,0,0,0|2,0,0]=4 59 B15R2.627 O=C(O)C1=CC=C2C=CC=CC2=C1Br SY036940 [1,1,0,0,0,0|1,0,0]=3 60 B15R2.627 O=C(O)C1=CNC2=C(C=CC=C2)C1=O SY028229 [1,1,0,0,0,0|1,0,0]=3 61 B15R2.1601 COC(=O)C1=CC2=C(C=C1)C=NC=C2 SY022491 [1,1,0,0,0,0|2,0,0]=4 62 B15R2.1601 COC(=O)C1=CC2=C(C=CC=C2)C=N1 SY018429 [1,1,0,0,0,0|2,0,0]=4 63 B15R2.1601 COC(=O)C1=CC=C2C=CC=CC2=C1 SY078684 [1,1,0,0,0,0|1,0,0]=3 64 B15R2.1601 COC(=O)C1=CC=C2N=CC=CC2=C1 SY003113 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2N=C1 SY032313 [1,1,0,0,0,0|2,0,0]=4 66 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Br)=C2)C=N1 SY102262 [1,1,0,0,0,0|2,0,0]=4 67 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2N=C1 SY104185 [1,1,0,0,0,0|1,0,0]=3 68 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2N=C1 SY046768 [1,1,0,0,0,0|1,0,0]=3 69 B15R2.7174 O=C(O)C1=CC2=CC(F)=CC=C2N=C1 SY143804 [1,1,0,0,0,0|1,0,0]=3 70 B15R2.7174 O=C(O)C1=NC2=CC(Br)=CC=C2C=C1 SY102273 [1,1,0,0,0,0|2,0,0]=4 71 B15R2.7180 CC1=CC=C2C=C(C(=O)O)C=CC2=N1 SY015613 [1,1,0,0,0,0|2,0,0]=4 72 B15R2.7180 NC(=O)C1=CC=C2C=C(Br)C=CC2=C1 SY259442 [1,1,0,0,0,0|2,0,0]=4 73 B15R2.7180 NC1=CC2=CC=C(C(=O)O)C=C2C=C1 SY050552 [1,1,0,0,0,0|1,0,0]=3 74 B15R2.7180 O=C(Cl)C1=CC=C2C=C(Br)C=CC2=C1 SY284172 [1,1,0,0,0,0|2,0,0]=4 75 B15R2.7180 O=C(O)C1=CC2=C(C=C1)C=C(Br)C=C2 SY008220 [1,1,0,0,0,0|1,0,0]=3 76 B15R2.7180 O=C(O)C1=CC2=C(C=C1)C=C(O)C=C2 SY014339 [1,1,0,0,0,0|1,0,0]=3 77 B15R2.7180 O=C(O)C1=CC2=CC=C(Cl)C=C2N=C1 SY128742 [1,1,0,0,0,0|1,0,0]=3 78 B15R2.7180 O=C(O)C1=CC2=CC=C(F)C=C2N=C1 SY227469 [1,1,0,0,0,0|1,0,0]=3 79 B15R2.7180 O=C(O)C1=NC2=CC=C(Br)C=C2C=C1 SY027677 [1,1,0,0,0,0|2,0,0]=4 80 B15R2.13598 NC1=C2C=CC(C(=O)O)=CC2=CC=C1 SY273203 [1,1,0,0,0,0|1,0,0]=3 81 B15R2.13598 O=C(O)C1=CC2=CC=CC(F)=C2N=C1 SY157955 [1,1,0,0,0,0|1,0,0]=3 82 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=C1 SY104513 [1,1,0,0,0,0|1,0,0]=3 83 B15R2.13598 O=C(O)C1=CC=C2C(O)=CC=CC2=C1 SY282882 [1,1,0,0,0,0|1,0,0]=3 84 B15R2.14951 CN1C=C(C(=O)O)CC2=C1C=CC=C2 SY277943 [1,1,0,0,0,0|1,0,1]=4 85 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 SY005480 [1,1,0,0,0,0|2,0,0]=4 86 B15R2.14951 O=C(O)C1=CC(Br)=C2C=CC=NC2=C1 SY271559 [1,1,0,0,0,0|2,0,0]=4 87 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 SY029385 [1,1,0,0,0,0|2,0,0]=4 88 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 SY045104 [1,1,0,0,0,0|2,0,0]=4 89 B15R2.61353 CC1=C2C=C(C(=O)O)C=NC2=CC=C1 SY266685 [1,1,0,0,0,0|1,0,0]=3 90 B15R2.61353 NC1=C2C=C(C(=O)O)C=CC2=CC=C1 SY273202 [1,1,0,0,0,0|1,0,0]=3 91 B15R2.61353 O=C(O)C1=CC2=C(Br)C=CC=C2N=C1 SY241185 [1,1,0,0,0,0|1,0,0]=3 92 B15R2.61353 O=C(O)C1=CC2=C(Cl)C=CC=C2N=C1 SY241164 [1,1,0,0,0,0|1,0,0]=3 93 B15R2.61353 O=C(O)C1=CC2=C(F)C=CC=C2N=C1 SY266680 [1,1,0,0,0,0|1,0,0]=3 94 B15R2.117 COC1=C(C=O)C=C2C=CC=CC2=C1 SY028653 [1,1,0,0,0,0|1,0,1]=4 95 B15R2.1754 O=CC1=CC2=C(C=C(O)C=C2)OC1=O SY282634 [1,1,0,0,0,0|0,0,0]=2 96 B15R2.1754 O=CC1=CC2=CC=C(O)C=C2N=C1Cl SY037302 [1,1,0,0,0,0|2,0,0]=4 97 B15R2.1824 CC1=CC=C2N=C(Cl)C(C=O)=CC2=C1 SY041945 [1,1,0,0,0,0|2,0,0]=4 98 B15R2.1824 O=CC1=CC2=CC(Br)=CC=C2N=C1Cl SY227448 [1,1,0,0,0,0|2,0,0]=4 99 B15R2.2039 O=CC1=C(Cl)N=C2C(Cl)=CC=CC2=C1 SY014373 [1,1,0,0,0,0|2,0,0]=4 100 B15R2.2393 O=CC1=CC2=C(Cl)C=CC=C2N=C1Cl SY034217 [1,1,0,0,0,0|2,0,0]=4 101 B15R2.1592 COC(=O)C1=C(Br)C2=C(C=CC=C2)N1 SY006240 [0,1,0,0,1,0|2,0,0]=4 102 B15R2.1592 COC(=O)C1=C(O)C2=CC=CC=C2O1 SY045680 [0,1,0,0,1,0|1,0,1]=4 103 B15R2.1592 COC(=O)C1CC2=C(C=CC=C2)C1=O SY025625 [0,1,0,0,1,0|0,0,2]=4 104 B15R2.7203 CC1=C(C(=O)O)OC2=CC=C(Br)C=C21 SY045640 [0,1,0,0,1,0|2,0,0]=4 105 B15R2.19393 COC(=O)C1=C(C)NC2=C1C=CC=C2 SY116153 [0,1,0,0,1,0|2,0,0]=4 106 B17R2.45126 O=C(O)C1=CC2=CC=CC=C2N=C1C(=O)O SY016331 [0,2,0,0,0,0|1,0,0]=3 107 B17R2.50008 CCOC(=O)C1=CC2=C(C=CC=C2)NC1=O SY034550 [0,2,0,0,0,0|1,0,0]=3 108 B17R2.50008 CCOC(=O)C1=CC2=C(N=CC=C2)NC1=O SY046143 [0,2,0,0,0,0|2,0,0]=4 109 B17R2.50008 CCOC(=O)C1=CC2=CC=CC=C2N=C1N SY045216 [0,2,0,0,0,0|2,0,0]=4 110 B17R2.50008 CCOC(=O)C1=NC2=C(C=CC=C2)NC1=O SY005077 [0,2,0,0,0,0|2,0,0]=4 111 B15R2.1162 NC1=CC=C2C=CC=CC2=C1C(=O)O SY128984 [0,0,1,1,0,0|2,0,0]=4 112 B15R2.1162 O=C(O)C1=C2C=CC=CC2=CC=C1Cl SY262194 [0,0,1,1,0,0|2,0,0]=4 113 B17R3.3374 O=C1OC(=O)C2=C1C=C3C=CC=CC3=C2 SY054023 [0,1,0,1,0,0|1,0,0]=3 114 B13R1.1111 O=C(O)C(C(=O)O)C1=CC=CC=C1 SY015145 [0,0,1,0,1,0|0,0,1]=3 115 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 SY003989 [1,0,0,0,1,0|2,0,0]=4 116 B13R2.72 NC(=O)C1=COC2=CC=CC=C21 SY040045 [1,0,0,0,1,0|1,0,0]=3 117 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 SY025360 [1,0,0,0,1,0|2,0,0]=4 118 B13R2.72 O=C(O)C1=CN=C2C=CC=CN12 SY004048 [1,0,0,0,1,0|2,0,0]=4 119 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 SY004104 [1,0,0,0,1,0|1,0,0]=3 120 B13R2.72 O=C(O)C1=CNC2=C1C=CC=N2 SY013957 [1,0,0,0,1,0|2,0,0]=4 121 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 SY021563 [1,0,0,0,1,0|0,1,0]=3 122 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 SY003148 [1,0,0,0,1,0|2,0,0]=4 123 B13R2.72 OB(O)C1=COC2=C1C=CC=C2 SY004450 [1,0,0,0,1,0|1,0,1]=4 124 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 SY004023 [1,0,0,0,1,0|2,0,0]=4 125 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 SY004025 [1,0,0,0,1,0|2,0,0]=4 126 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 SY046615 [1,0,0,0,1,0|2,0,0]=4 127 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 SY003675 [1,0,0,0,1,0|2,0,0]=4 128 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 SY022609 [1,0,0,0,1,0|2,0,0]=4 129 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 SY045444 [1,0,0,0,1,0|1,0,0]=3 130 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 SY001822 [1,0,0,0,1,0|1,1,0]=4 131 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 SY225211 [1,0,0,0,1,0|2,0,0]=4 132 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 SY024866 [1,0,0,0,1,0|0,0,1]=3 133 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 SY003715 [1,0,0,0,1,0|1,0,0]=3 134 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 SY005603 [1,0,0,0,1,0|0,0,0]=2 135 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 SY003106 [1,0,0,0,1,0|0,1,0]=3 136 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 SY016149 [1,0,0,0,1,0|2,0,0]=4 137 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 SY004412 [1,0,0,0,1,0|2,0,0]=4 138 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 SY004051 [1,0,0,0,1,0|2,0,0]=4 139 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 SY286053 [1,0,0,0,1,0|2,0,0]=4 140 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 SY042596 [1,0,0,0,1,0|1,1,0]=4 141 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 SY004701 [1,0,0,0,1,0|2,0,0]=4 142 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 SY064576 [1,0,0,0,1,0|0,0,2]=4 143 B13R2.435 OB(O)C1=CC2=CC=CC=C2O1 SY022298 [1,0,0,0,1,0|1,0,1]=4 144 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 SY264217 [1,0,0,0,1,0|1,0,1]=4 145 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 SY018466 [1,0,0,0,1,0|2,0,0]=4 146 B13R2.135 O=CC1=C(Cl)CC2=C1C=CC=C2 SY264310 [1,0,0,0,1,0|2,0,0]=4 147 B13R2.135 O=CC1C(=O)NC2=C1C=CC=C2 SY105270 [1,0,0,0,1,0|1,0,1]=4 148 B15R1.3565 O=C(O)C[C@H](CC1=CC=CC=C1)C(=O)O SY003042 [0,0,1,0,0,1|0,0,2]=4 149 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O SY062768 [0,0,0,0,1,1|1,0,1]=4 150 B15R2.988 O=C(O)C1=CC(Cl)=NC2=CC=CC=C21 SY051158 [0,0,0,0,1,1|2,0,0]=4 151 B15R2.988 O=C(O)C1=CC(O)=NC2=C1C=CC=C2 SY020050 [0,0,0,0,1,1|1,0,1]=4