0 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O Z756390562 [1,0,0,0,0,0|3,0,0]=4 1 B14R1.686 CC(CC1=CC(=C(C=C1)F)F)C(=O)O Z1341747667 [1,0,0,0,0,0|3,0,0]=4 2 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [1,0,0,0,0,0|1,0,0]=2 3 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C Z2238618571 [1,0,0,0,0,0|2,0,0]=3 4 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C Z57982188 [1,0,0,0,0,0|3,0,0]=4 5 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z317025744 [1,0,0,0,0,0|2,0,0]=3 6 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5185412106 [1,0,0,0,0,0|2,0,0]=3 7 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [1,0,0,0,0,0|1,0,0]=2 8 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [1,0,0,0,0,0|1,0,0]=2 9 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [1,0,0,0,0,0|0,0,0]=1 10 B14R1.686 N[C@H](CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5212272143 [1,0,0,0,0,0|2,0,0]=3 11 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [1,0,0,0,0,0|0,0,0]=1 12 B14R1.4474 NC(CC1=C(C=CC(=C1)Cl)Cl)C(=O)O Z5010675411 [1,0,0,0,0,0|1,1,0]=3 13 B14R1.6036 CC1=C(C=C(C(=C1)Cl)O)OCC(=O)O Z1209414410 [1,0,0,0,0,0|3,0,0]=4 14 B14R1.6049 CC(CC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z756390528 [1,0,0,0,0,0|2,1,0]=4 15 B14R1.6049 CC(OC1=C(C=C(C=C1)Br)F)C(=O)O Z65900763 [1,0,0,0,0,0|3,0,0]=4 16 B14R1.6049 NC(CC1=C(C=C(C=C1)F)F)C(=O)O Z3847441641 [1,0,0,0,0,0|1,0,0]=2 17 B16R1.3916 NC(CC1=C(C(=C(C(=C1)Br)O)F)F)C(=O)O Z3064247560 [0,1,0,0,0,0|1,0,0]=2 18 B16R1.3916 NC(CC1=C(C(=C(C(=C1)F)F)F)F)C(=O)O Z4905682364 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.6038 O=C(O)C(O)C1=C(C=C(C(=C1)F)F)F Z1269165997 [0,0,0,0,1,0|3,0,0]=4 20 B16R1.11361 NC(CC(=O)O)CC1=C(C=C(C(=C1)F)F)F Z2311288757 [0,0,0,0,0,1|2,0,0]=3 21 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [2,0,0,0,0,0|2,0,0]=4 22 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [2,0,0,0,0,0|2,0,0]=4 23 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [2,0,0,0,0,0|2,0,0]=4 24 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [2,0,0,0,0,0|2,0,0]=4 25 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [2,0,0,0,0,0|2,0,0]=4 26 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [2,0,0,0,0,0|2,0,0]=4 27 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [2,0,0,0,0,0|1,0,0]=3 28 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [2,0,0,0,0,0|1,0,0]=3 29 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [2,0,0,0,0,0|1,0,0]=3 30 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [2,0,0,0,0,0|0,0,0]=2 32 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [2,0,0,0,0,0|1,0,0]=3 33 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [2,0,0,0,0,0|2,0,0]=4 34 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [2,0,0,0,0,0|1,0,0]=3 35 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [2,0,0,0,0,0|1,0,0]=3 36 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [2,0,0,0,0,0|0,0,0]=2 37 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [2,0,0,0,0,0|1,0,0]=3 38 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [2,0,0,0,0,0|1,0,0]=3 39 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [2,0,0,0,0,0|1,0,0]=3 40 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [2,0,0,0,0,0|0,0,0]=2 41 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [2,0,0,0,0,0|2,0,0]=4 43 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [2,0,0,0,0,0|2,0,0]=4 44 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [2,0,0,0,0,0|1,0,0]=3 46 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [2,0,0,0,0,0|2,0,0]=4 47 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [2,0,0,0,0,0|2,0,0]=4 48 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [2,0,0,0,0,0|2,0,0]=4 49 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [2,0,0,0,0,0|1,0,0]=3 50 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [2,0,0,0,0,0|1,0,0]=3 51 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [2,0,0,0,0,0|0,0,0]=2 52 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [2,0,0,0,0,0|2,0,0]=4 53 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [2,0,0,0,0,0|2,0,0]=4 54 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [2,0,0,0,0,0|2,0,0]=4 55 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [2,0,0,0,0,0|1,0,0]=3 56 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [2,0,0,0,0,0|1,0,0]=3 57 B13R1.148 NC(CC1=NC(=CC=N1)O)C(=O)O Z3326140144 [2,0,0,0,0,0|2,0,0]=4 58 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [2,0,0,0,0,0|2,0,0]=4 59 B13R1.148 NC(CC1=NC=NC(=C1)O)C(=O)O Z3531845722 [2,0,0,0,0,0|2,0,0]=4 60 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [2,0,0,0,0,0|2,0,0]=4 61 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [2,0,0,0,0,0|0,0,0]=2 62 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [2,0,0,0,0,0|0,0,0]=2 63 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [2,0,0,0,0,0|2,0,0]=4 64 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [2,0,0,0,0,0|2,0,0]=4 65 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [2,0,0,0,0,0|2,0,0]=4 66 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [2,0,0,0,0,0|2,0,0]=4 67 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [2,0,0,0,0,0|2,0,0]=4 68 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)O)O Z240113804 [2,0,0,0,0,0|0,0,2]=4 69 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [2,0,0,0,0,0|2,0,0]=4 70 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [2,0,0,0,0,0|2,0,0]=4 71 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [2,0,0,0,0,0|2,0,0]=4 72 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [2,0,0,0,0,0|1,0,0]=3 73 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [2,0,0,0,0,0|1,1,0]=4 74 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [2,0,0,0,0,0|1,0,0]=3 75 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [2,0,0,0,0,0|2,0,0]=4 76 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [2,0,0,0,0,0|2,0,0]=4 77 B13R1.202 NC(=O)C(N)CC1=C(C=CC=C1)Cl Z1258519447 [2,0,0,0,0,0|1,1,0]=4 78 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [2,0,0,0,0,0|0,1,0]=3 79 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [2,0,0,0,0,0|1,0,0]=3 80 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [2,0,0,0,0,0|2,0,0]=4 81 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [2,0,0,0,0,0|1,1,0]=4 82 B13R1.893 CC1=CC(=C(C=C1)F)OCC(=O)O Z1250417296 [2,0,0,0,0,0|2,0,0]=4 83 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Br)F Z426022294 [2,0,0,0,0,0|1,0,0]=3 84 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Cl)Br Z1269137463 [2,0,0,0,0,0|1,1,0]=4 85 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)Br Z426022162 [2,0,0,0,0,0|1,1,0]=4 86 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)F Z415635744 [2,0,0,0,0,0|1,0,0]=3 87 B13R1.893 O=C(O)COC1=C(C=CC(=C1)F)F Z1117890486 [2,0,0,0,0,0|2,0,0]=4 88 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)F)F Z92608891 [2,0,0,0,0,0|2,0,0]=4 89 B13R1.164 CC(=O)CCC1=C(C=C(C=C1)F)F Z963396602 [2,0,0,0,0,0|2,0,0]=4 90 B13R1.164 CC1=C(C=CC(=C1)F)CCC(=O)O Z959351776 [2,0,0,0,0,0|2,0,0]=4 91 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)Br Z1269174749 [2,0,0,0,0,0|1,1,0]=4 92 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)C Z203050914 [2,0,0,0,0,0|2,0,0]=4 93 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Br)F Z405046664 [2,0,0,0,0,0|1,0,0]=3 94 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Br Z1269115792 [2,0,0,0,0,0|1,1,0]=4 95 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Cl Z314668406 [2,0,0,0,0,0|1,1,0]=4 96 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)F Z1269172595 [2,0,0,0,0,0|1,0,0]=3 97 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Br Z426022210 [2,0,0,0,0,0|1,1,0]=4 98 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Cl Z426022268 [2,0,0,0,0,0|1,1,0]=4 99 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)F Z317037934 [2,0,0,0,0,0|1,0,0]=3 100 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)F Z56923270 [2,0,0,0,0,0|2,0,0]=4 101 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)F Z1416161884 [2,0,0,0,0,0|2,0,0]=4 102 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)F Z239874904 [2,0,0,0,0,0|2,0,0]=4 103 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)F)F Z92456882 [2,0,0,0,0,0|2,0,0]=4 104 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)F Z756390470 [1,1,0,0,0,0|2,0,0]=4 105 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O Z3212891663 [1,1,0,0,0,0|0,0,0]=2 106 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)F)Cl Z5087129302 [1,1,0,0,0,0|2,0,0]=4 107 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F Z3073888196 [1,1,0,0,0,0|1,0,0]=3 108 B15R1.8408 CC1=C(C=CC(=C1O)O)CC(N)C(=O)O Z2327040070 [1,1,0,0,0,0|0,0,0]=2 109 B15R1.11316 C[C@@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508927176 [1,1,0,0,0,0|0,0,0]=2 110 B15R1.11316 C[C@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508915075 [1,1,0,0,0,0|0,0,0]=2 111 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509614134 [1,1,0,0,0,0|1,0,0]=3 112 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509519863 [1,1,0,0,0,0|1,0,0]=3 113 B15R1.3793 COC1=C(C=C(C=C1)Br)CC(N)C(=O)O Z1262237273 [1,1,0,0,0,0|2,0,0]=4 114 B15R1.4602 CSC1=CC(=C(C=C1)Cl)CC(N)C(=O)O Z3386904280 [1,1,0,0,0,0|0,2,0]=4 115 B15R1.3552 CC1=CC(=C(C(=C1)C)CC(N)C(=O)O)C Z2211231166 [1,1,0,0,0,0|2,0,0]=4 116 B15R1.10050 CC1=C(C=CC(=C1)F)CC(CN)C(=O)O Z2739890401 [1,1,0,0,0,0|2,0,0]=4 117 B15R1.1802 COC1=C(C=C(C(=C1)C(O)C(=O)O)F)O Z1508994038 [0,1,0,0,1,0|1,0,0]=3 118 B17R1.500650 C[C@@](CC1=C(C=C(C(=C1)O)O)Br)(NN)C(=O)O Z2009870471 [0,2,0,0,0,0|0,1,0]=3 119 B15R2.7551 O=C(O)C1CC1C2=C(C=CC(=C2)F)F Z450468496 [1,0,0,1,0,0|2,0,0]=4 120 B15R2.7551 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC(=C2)F)F Z3019995689 [1,0,0,1,0,0|2,0,0]=4 121 B15R2.42559 NC1(CC2=C(C1)C=C(C=C2)Br)C(=O)O Z2651685348 [1,0,0,1,0,0|2,0,0]=4 122 B15R2.42559 NC1(CC2=C(C1)C=C(C=C2)Cl)C(=O)O Z1446142472 [1,0,0,1,0,0|2,0,0]=4 123 B15R2.7180 O=C(O)C1COC2=C(C1)C=CC(=C2)O Z235363157 [1,0,0,1,0,0|2,0,0]=4 124 B15R2.7180 O=C(O)[C@H]1CC2=C(C=C(C=C2)O)CN1 Z1198151614 [1,0,0,1,0,0|1,0,0]=3 125 B15R2.65825 O=C(O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)Br)F Z3001662717 [1,0,0,1,0,0|2,0,0]=4 126 B15R2.65825 O=C(O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)F)F Z2939182232 [1,0,0,1,0,0|2,0,0]=4 127 B13R1.510 CC1=C(C=CC(=C1)C(N)C(=O)O)Cl Z1198640890 [1,0,0,0,1,0|2,0,0]=4 128 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z317024644 [1,0,0,0,1,0|2,0,0]=4 129 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)F Z1696091766 [1,0,0,0,1,0|2,0,0]=4 130 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)F)Cl Z1269179754 [1,0,0,0,1,0|2,0,0]=4 131 B13R1.897 NC(C(=O)O)C1=C(C=CC(=C1)F)F Z415636520 [1,0,0,0,1,0|1,0,0]=3 132 B13R1.163 CC(C(=O)O)C1=C(C=C(C=C1)Br)F Z1558353210 [1,0,0,0,1,0|2,0,0]=4 133 B13R1.163 CC(C(=O)O)C1=C(C=C(C=C1)F)F Z792377188 [1,0,0,0,1,0|2,0,0]=4 134 B13R1.163 NC(C(=O)O)C1=C(C=C(C=C1)Cl)Cl Z317024702 [1,0,0,0,1,0|1,1,0]=4 135 B13R1.163 NC(C(=O)O)C1=C(C=C(C=C1)F)F Z317024642 [1,0,0,0,1,0|1,0,0]=3 136 B13R1.163 O=C(O)C(O)C1=C(C=C(C=C1)Cl)F Z1269228399 [1,0,0,0,1,0|2,0,0]=4 137 B15R1.8426 CC1=CC(=C(C=C1)CC(N)CC(=O)O)C Z4133752091 [1,0,0,0,0,1|2,0,0]=4