0 B14R1.161 C=C(COC1=C(C=CC=C1)I)C(=O)O Z1197868436 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.158 O=C(O)C/C=C/C1=C(C=CC=C1)F Z1354602491 [1,0,0,0,0,0|1,0,1]=3 2 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)O Z1262518325 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [1,0,0,0,0,0|0,0,2]=3 6 B13R1.528 CNC(=O)/C=C/C1=C(C=CC=C1)Cl Z32016690 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.528 CNC(=O)/C=C/C1=C(C=CC=C1)F Z32015497 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.528 O=C(COC1=C(C=CC=C1)O)NO Z57931373 [1,0,0,0,0,0|2,0,1]=4 9 B15R1.87 COC1=C(C=CC=C1)CNC(=O)C(=O)O Z424779130 [0,1,0,0,0,0|1,0,1]=3 10 B15R1.5823 O=C(O)C(=O)NCC1=C(C=C(C=C1)Cl)F Z2173923956 [0,1,0,0,0,0|2,0,1]=4 11 B15R1.5823 O=C(O)C(=O)NCC1=C(C=C(C=C1)F)F Z968476334 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.5823 O=C(O)C(=O)NNC1=C(C=C(C=C1)Cl)Cl Z808723934 [0,1,0,0,0,0|3,0,0]=4 13 B15R2.4244 CC(C(=O)O)C1=CC2=C(O1)C=CC=C2 Z792377214 [0,0,0,1,0,0|1,0,1]=3 14 B15R2.4244 CC(C)C(=O)C1=CC2=C(O1)C=CC=C2 Z367672154 [0,0,0,1,0,0|2,0,1]=4 15 B15R2.13598 CC1=C2N=CC(=CC2=CC=C1)C(=O)O Z5372033361 [0,0,0,1,0,0|3,0,0]=4 16 B15R2.13598 NC1=C2C=NC(=CC2=CC=C1)C(=O)O Z2527408919 [0,0,0,1,0,0|3,0,0]=4 17 B15R2.13598 NC1=C2N=CC(=CC2=CC=C1)C(=O)O Z1618000008 [0,0,0,1,0,0|3,0,0]=4 18 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=CC=C2)Br Z1269196269 [0,0,0,1,0,0|2,0,0]=3 19 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=CN=C2)Br Z2692247099 [0,0,0,1,0,0|3,0,0]=4 20 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)C=CN2 Z5326340115 [0,0,0,1,0,0|2,0,1]=4 21 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)C=CO2 Z1262548522 [0,0,0,1,0,0|2,0,1]=4 22 B15R2.13598 O=C(O)C1=CC2=C(N=C1)C(=CC=C2)F Z1198312127 [0,0,0,1,0,0|3,0,0]=4 23 B15R2.13598 O=C(O)C1=CC2=C(OC1)C(=CC=C2)O Z228588778 [0,0,0,1,0,0|2,0,1]=4 24 B15R2.13598 O=C(O)C1=NC2=C(C=C1)C(=CC=C2)Br Z5515764052 [0,0,0,1,0,0|2,0,0]=3 25 B15R2.13598 O=C(O)C1=NC=C2C(=CC=CC2=C1)Br Z2044814888 [0,0,0,1,0,0|3,0,0]=4 26 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [0,0,0,0,1,0|1,0,2]=4 27 B15R1.130 NC(=O)NC(=O)/C=C/C1=C(C=CC=C1)O Z56789506 [0,0,0,0,0,1|1,0,0]=2 28 B15R1.257 CC1=C(C=CC=C1)/C=N/NC(=O)C(=O)N Z49644847 [0,0,0,0,0,1|3,0,0]=4 29 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.125 CC(=O)/C=C/C1=C(C=CC=C1)F Z1217226767 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.125 CC1=C(C=CC=N1)/C=C/C(=O)O Z2235790871 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.125 CC1=C(C=CN=C1)/C=C/C(=O)O Z2235790666 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.125 CC1=C(N=CC=C1)/C=C/C(=O)O Z2327040014 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Br Z1269170340 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Cl Z1201624228 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [2,0,0,0,0,0|0,0,2]=4 42 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [2,0,0,0,0,0|1,0,1]=4 44 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O Z3478749045 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.337 O=C(O)CC(=O)NC1=C(C=CC=C1)O Z1262513035 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.415 CC(NC(=O)C(=O)O)C1=CC=CC=C1 Z424779000 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.679 O=C(O)C(=O)/C=C/C1=CC=C(C=C1)F Z2065904031 [1,1,0,0,0,0|0,0,0]=2 48 B14R1.679 O=C(O)C(=O)NCC1=CC=C(C=C1)F Z424779476 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.6395 O=C(O)C(F)(F)/C=C/C1=CC=CC=C1 Z1262527962 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.5971 C/C(=C\C1=C(C=CC=C1Cl)Cl)/C(=O)O Z1695926071 [0,1,0,0,1,0|2,0,0]=4 51 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(=O)O)C Z424779524 [0,1,0,0,1,0|2,0,0]=4 52 B16R1.86 NC(=O)C(=O)N/N=C/C1=C(C(=CC=C1)O)O Z49644877 [0,1,0,0,0,1|2,0,0]=4 53 B16R1.7491 NC(=O)C(=O)N/N=C/C1=C(C=CC(=C1)Br)O Z49644743 [0,1,0,0,0,1|2,0,0]=4 54 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)C Z361882502 [0,2,0,0,0,0|1,0,1]=4 55 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)Cl Z57033936 [0,2,0,0,0,0|1,0,1]=4 56 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)F Z94599149 [0,2,0,0,0,0|1,0,1]=4 57 B14R2.768 O=C(O)CC1=CC2=C(C1)C=CC=C2 Z1262511318 [1,0,0,1,0,0|1,0,1]=4 58 B14R2.768 O=C(O)CC1=CC2=C(O1)C=CC=C2 Z235569554 [1,0,0,1,0,0|0,0,1]=3 59 B14R2.768 O=C(O)CC1=CC2=C(S1)C=CC=C2 Z1198265898 [1,0,0,1,0,0|0,1,1]=4 60 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)C=C1 Z104476442 [1,0,0,1,0,0|2,0,0]=4 61 B14R2.781 CC(=O)C1=NC2=C(C=CC=C2)C=C1 Z1098922431 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.781 NC(=O)C1=CC2=C(C=CC=C2)C=C1 Z33546615 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 Z1198261891 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=C2 Z382700998 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 Z104475600 [1,0,0,1,0,0|1,0,0]=3 66 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)N=C1 Z838909446 [1,0,0,1,0,0|2,0,0]=4 67 B14R2.781 O=C(O)C1=CC2=C(C=CC=N2)C=C1 Z1198148848 [1,0,0,1,0,0|2,0,0]=4 68 B14R2.781 O=C(O)C1=CC2=C(C=CN=C2)C=C1 Z1198279302 [1,0,0,1,0,0|2,0,0]=4 69 B14R2.781 O=C(O)C1=NC2=C(C=C1)C=NC=C2 Z1201619732 [1,0,0,1,0,0|2,0,0]=4 70 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 Z104473458 [1,0,0,1,0,0|1,0,0]=3 71 B14R2.781 O=C(O)C1=NC2=C(C=CC=N2)C=C1 Z1192378572 [1,0,0,1,0,0|2,0,0]=4 72 B14R2.781 O=C(O)C1=NC2=C(C=CN=C2)C=C1 Z1198330967 [1,0,0,1,0,0|2,0,0]=4 73 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 Z1198150075 [1,0,0,1,0,0|2,0,0]=4 74 B14R2.8032 CC1=C2OC=C(C2=CC=C1)C(=O)O Z1255381806 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2Br Z1143220556 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2F Z1198266509 [1,0,0,1,0,0|2,0,0]=4 77 B14R2.8032 O=C(O)C1=COC2=C1C=CC=C2F Z1267805638 [1,0,0,1,0,0|2,0,0]=4 78 B14R2.8032 O=C(O)C1=CSC2=C1C=CC=C2Cl Z3242859734 [1,0,0,1,0,0|2,0,0]=4 79 B14R2.8032 O=C(O)C1=CSC2=C1N=CC=C2O Z5229245463 [1,0,0,1,0,0|2,0,0]=4 80 B14R2.972 C/C(=N\O)/C1=CC2=C(O1)C=CC=C2 Z49568632 [1,0,0,1,0,0|2,0,0]=4 81 B14R2.972 CNC(=O)C1=CC2=C(O1)C=CC=C2 Z32016592 [1,0,0,1,0,0|2,0,0]=4 82 B14R2.972 COC(=O)C1=CC2=C(O1)C=CC=C2 Z15842101 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.972 NNC(=O)C1=CC2=C(O1)C=CC=C2 Z58982625 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.972 O=C(CBr)C1=CC2=C(O1)C=CC=C2 Z104341498 [1,0,0,1,0,0|1,0,1]=4 85 B14R2.1801 O=CC1=CC2=CC=CC(=C2C=C1)Br Z1269203166 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.1801 O=CC1=NC2=CC=CC(=C2C=C1)Br Z1269203235 [1,0,0,1,0,0|2,0,0]=4 87 B14R2.8038 OC1=C2C=CC(=C(C2=CC=C1)Cl)Cl Z1335745461 [1,0,0,1,0,0|2,0,0]=4 88 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O Z119989626 [0,0,0,1,1,0|2,0,0]=4 89 B14R2.7969 CC1=C2C=C(OC2=CC=C1)C(=O)O Z1262514439 [0,0,0,1,1,0|1,0,1]=4 90 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O Z1201622528 [0,0,0,1,1,0|2,0,0]=4 91 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2Cl Z119989536 [0,0,0,1,1,0|2,0,0]=4 92 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2F Z119989618 [0,0,0,1,1,0|2,0,0]=4 93 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2I Z1269151806 [0,0,0,1,1,0|2,0,0]=4 94 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2Br Z1269230239 [0,0,0,1,1,0|1,1,0]=4 95 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2Cl Z90662195 [0,0,0,1,1,0|1,1,0]=4 96 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2F Z57036343 [0,0,0,1,1,0|1,1,0]=4 97 B16R2.4064 CC1=C(C=CC=C1)/C=C/2\SC(=O)NC2=O Z44299590 [0,0,0,1,0,1|1,1,0]=4 98 B16R2.4064 O=C1NC(=O)/C(=C/C2=C(C=CC=C2)Cl)/S1 Z44299513 [0,0,0,1,0,1|1,1,0]=4 99 B16R2.4064 O=C1NC(=O)/C(=C/C2=C(C=CC=C2)O)/S1 Z44299512 [0,0,0,1,0,1|0,1,0]=3 100 B16R2.3269 OC1=C(C=C(C=C1)C2=C(C=CC=C2)O)O Z4642418442 [0,0,0,1,0,1|1,0,1]=4 101 B16R2.3270 CC1=C(C=CC=C1)C2=NC(=CS2)C(=O)O Z381355514 [0,0,0,1,0,1|2,0,0]=4 102 B16R2.3270 NC1=C(C=CC=C1)N2C=CC(=N2)C(=O)O Z425636072 [0,0,0,1,0,1|2,0,0]=4 103 B16R2.3270 O=C(O)C1=CC=C(O1)C2=C(C=CC=C2)Cl Z57727894 [0,0,0,1,0,1|1,0,1]=4 104 B16R2.3270 O=C(O)C1=CC=C(O1)C2=C(C=CC=C2)F Z57038536 [0,0,0,1,0,1|1,0,1]=4 105 B16R2.3270 O=C(O)C1=CC=C(S1)C2=C(C=CC=C2)F Z361925738 [0,0,0,1,0,1|1,1,0]=4 106 B16R2.3270 O=C(O)C1=CN=C(S1)C2=C(C=CC=C2)Br Z385373480 [0,0,0,1,0,1|1,1,0]=4 107 B16R2.3270 O=C(O)C1=CN=C(S1)C2=C(C=CC=C2)Cl Z385373414 [0,0,0,1,0,1|1,1,0]=4 108 B16R2.3270 O=C(O)C1=CN=C(S1)C2=C(C=CC=C2)F Z385373296 [0,0,0,1,0,1|1,1,0]=4 109 B16R2.3270 O=C(O)C1=COC(=N1)C2=C(C=CC=C2)Cl Z969117330 [0,0,0,1,0,1|2,0,0]=4 110 B16R2.3270 O=C(O)C1=COC(=N1)C2=C(C=CC=C2)F Z969117362 [0,0,0,1,0,1|2,0,0]=4 111 B16R2.3270 O=C(O)C1=CSC(=N1)C2=C(C=CC=C2)Cl Z381355542 [0,0,0,1,0,1|2,0,0]=4 112 B16R2.3270 O=C(O)C1=CSC(=N1)C2=C(C=CC=C2)F Z381402824 [0,0,0,1,0,1|2,0,0]=4 113 B16R2.3270 O=C(O)C1=NN(C=C1)C2=C(C=CC=C2)Cl Z362757264 [0,0,0,1,0,1|2,0,0]=4 114 B16R2.3270 O=C(O)C1=NN(C=C1)C2=C(C=CC=C2)F Z362757390 [0,0,0,1,0,1|2,0,0]=4 115 B16R2.3270 O=C(O)C1=NOC(=C1)C2=C(C=CC=C2)O Z1508929115 [0,0,0,1,0,1|2,0,0]=4 116 B16R2.6271 NC(CC1=CC2=C(O1)C=CC=C2)C(=O)O Z1762997257 [0,0,0,1,0,1|1,0,1]=4 117 B16R2.6284 O=C(O)C(=O)C1=CC2=C(C=CC=C2)C=C1 Z1508917455 [0,0,0,1,0,1|1,0,0]=3 118 B16R2.3355 CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)O Z1117858323 [0,1,0,1,0,0|0,1,0]=3 119 B16R2.2189 CON(C)C(=O)C1=CC2=C(O1)C=CC=C2 Z54739665 [0,1,0,1,0,0|2,0,0]=4 120 B16R2.173132 COC(=O)C1=CC2=C(C=C1)C(=CC=C2)Br Z1509555448 [0,1,0,1,0,0|2,0,0]=4 121 B16R2.173132 COC(=O)C1=CC2=C(C=C1)C(=CC=C2)O Z1509589960 [0,1,0,1,0,0|1,0,0]=3 122 B16R2.173132 COC(=O)C1=CC2=C(N=C1)C(=CC=C2)O Z1509524562 [0,1,0,1,0,0|2,0,0]=4 123 B16R2.173132 COC(=O)C1=NC2=C(C=C1)C(=CC=C2)Br Z1509708781 [0,1,0,1,0,0|2,0,0]=4 124 B16R2.22861 CC1=C2NC=C(C(=O)C2=CC=C1)C(=O)O Z431512326 [0,1,0,1,0,0|2,0,0]=4 125 B16R2.126928 O=C(O)C1=CC(=O)C2=C(O1)C=CC=C2O Z1508923054 [0,1,0,1,0,0|0,0,1]=3 126 B16R2.26103 O=C(O)C1=NC2=C(C=C1)C(=CC(=C2)F)F Z1509020827 [0,1,0,1,0,0|2,0,0]=4 127 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [1,0,0,0,1,0|1,0,0]=3 128 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [1,0,0,0,1,0|2,0,0]=4 129 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [1,0,0,0,1,0|2,0,0]=4 130 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [1,0,0,0,1,0|2,0,0]=4 131 B12R1.43 O=C(O)/C(=C/C1=CN=CC=C1)/F Z2081677235 [1,0,0,0,1,0|2,0,0]=4 132 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [1,0,0,0,1,0|0,0,1]=3 133 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [1,0,0,0,1,0|1,0,0]=3 134 B12R1.264 O=C(O)C(=O)/C=C/C1=CC=CS1 Z104378004 [1,0,0,0,1,0|1,0,0]=3 135 B12R1.124 C=C(C(=O)O)C1=C(C=CC=C1)F Z1255374937 [0,0,0,0,2,0|2,0,0]=4 136 B14R1.159 O=C(O)CO/N=C/C1=C(C=CC=C1)O Z56774780 [1,0,0,0,0,1|1,0,1]=4 137 B14R1.818 NC(=O)NC(=O)/C=C/C1=CC=CC=C1 Z2757548458 [1,0,0,0,0,1|1,0,0]=3 138 B16R1.400 O=C(O)CNC(=O)/C=C/C1=C(C=CC=C1)Br Z85887335 [0,0,0,0,0,2|1,0,0]=3