0 B14R1.686 C/C(=C\C1=CC(=C(C=C1)F)F)/C(=O)O Z2757550092 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O Z756390562 [0,0,0,0,0,0|2,1,0]=3 2 B14R1.686 CC(CC1=CC(=C(C=C1)F)F)C(=O)O Z1341747667 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.686 CC(OC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z65558816 [0,0,0,0,0,0|3,1,0]=4 5 B14R1.686 CC(OC1=CC(=C(C=C1)F)F)C(=O)O Z228583520 [0,0,0,0,0,0|3,0,0]=3 6 B14R1.686 CC(SC1=CC(=C(C=C1)F)F)C(=O)O Z92657116 [0,0,0,0,0,0|3,0,0]=3 7 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C Z2238618571 [0,0,0,0,0,0|2,0,0]=2 8 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C Z57982188 [0,0,0,0,0,0|3,0,0]=3 9 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)O)Cl Z149187304 [0,0,0,0,0,0|4,0,0]=4 10 B14R1.686 CN(CC1=CC(=C(C=C1)Cl)F)C(=O)N Z1541785336 [0,0,0,0,0,0|4,0,0]=4 11 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z317025744 [0,0,0,0,0,0|1,1,0]=2 12 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5185412106 [0,0,0,0,0,0|1,1,0]=2 13 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [0,0,0,0,0,0|0,1,0]=1 14 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [0,0,0,0,0,0|0,1,0]=1 15 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [0,0,0,0,0,0|1,0,0]=1 16 B14R1.686 N[C@H](CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5212272143 [0,0,0,0,0,0|1,1,0]=2 17 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [0,0,0,0,0,0|1,0,0]=1 18 B14R1.686 O=C(O)C(=O)CC1=CC(=C(C=C1)Cl)Cl Z234896633 [0,0,0,0,0,0|2,1,1]=4 19 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)N Z1551999220 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [1,0,0,0,0,0|2,0,0]=3 21 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [1,0,0,0,0,0|2,0,0]=3 24 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N Z381414584 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O Z56278798 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O Z56279369 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [1,0,0,0,0,0|2,0,1]=4 32 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [1,0,0,0,0,0|2,0,0]=3 33 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [1,0,0,0,0,0|3,0,0]=4 34 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O Z56278800 [1,0,0,0,0,0|3,0,0]=4 35 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [1,0,0,0,0,0|2,0,0]=3 37 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [1,0,0,0,0,0|1,0,0]=2 38 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [1,0,0,0,0,0|1,0,0]=2 39 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [1,0,0,0,0,0|1,0,0]=2 40 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [1,0,0,0,0,0|1,0,0]=2 41 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [1,0,0,0,0,0|0,0,0]=1 42 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [1,0,0,0,0,0|1,0,0]=2 43 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [1,0,0,0,0,0|2,0,0]=3 44 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [1,0,0,0,0,0|1,0,0]=2 45 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [1,0,0,0,0,0|1,0,0]=2 46 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [1,0,0,0,0,0|0,0,0]=1 47 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [1,0,0,0,0,0|1,0,0]=2 48 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [1,0,0,0,0,0|1,0,0]=2 49 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [1,0,0,0,0,0|1,0,0]=2 50 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [1,0,0,0,0,0|0,0,0]=1 51 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [1,0,0,0,0,0|2,0,0]=3 52 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [1,0,0,0,0,0|2,0,0]=3 53 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [1,0,0,0,0,0|1,1,0]=3 54 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [1,0,0,0,0,0|1,0,0]=2 55 B13R1.148 CC(OC1=CC(=CC=C1)Br)C(=O)O Z228583330 [1,0,0,0,0,0|2,1,0]=4 56 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)O Z57042071 [1,0,0,0,0,0|2,1,0]=4 57 B13R1.148 CC(OC1=CC(=CC=C1)F)C(=O)O Z228583338 [1,0,0,0,0,0|2,0,0]=3 58 B13R1.148 CC(OC1=CC(=CC=C1)N)C(=O)O Z274525908 [1,0,0,0,0,0|3,0,0]=4 59 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [1,0,0,0,0,0|1,0,0]=2 60 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [1,0,0,0,0,0|2,0,0]=3 61 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)O Z56917379 [1,0,0,0,0,0|3,0,0]=4 62 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [1,0,0,0,0,0|2,0,0]=3 63 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [1,0,0,0,0,0|2,0,0]=3 64 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [1,0,0,0,0,0|0,1,0]=2 65 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [1,0,0,0,0,0|0,1,0]=2 66 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [1,0,0,0,0,0|1,0,0]=2 67 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [1,0,0,0,0,0|1,1,0]=3 68 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [1,0,0,0,0,0|1,1,0]=3 69 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [1,0,0,0,0,0|1,0,0]=2 70 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [1,0,0,0,0,0|2,0,0]=3 71 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [1,0,0,0,0,0|2,0,0]=3 72 B13R1.148 NC(CC1=NC(=CC=N1)O)C(=O)O Z3326140144 [1,0,0,0,0,0|3,0,0]=4 73 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [1,0,0,0,0,0|1,1,0]=3 74 B13R1.148 NC(CC1=NC=NC(=C1)O)C(=O)O Z3531845722 [1,0,0,0,0,0|3,0,0]=4 75 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [1,0,0,0,0,0|2,0,0]=3 76 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [1,0,0,0,0,0|1,0,0]=2 77 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [1,0,0,0,0,0|1,0,0]=2 78 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [1,0,0,0,0,0|1,1,0]=3 79 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)Cl)Cl Z406376846 [1,0,0,0,0,0|2,1,0]=4 80 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)F)F Z1021461268 [1,0,0,0,0,0|2,0,0]=3 81 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [1,0,0,0,0,0|1,0,0]=2 82 B13R1.511 CC(=O)COC1=CC(=C(C=C1)F)F Z427845606 [1,0,0,0,0,0|3,0,0]=4 83 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [1,0,0,0,0,0|2,0,0]=3 84 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [1,0,0,0,0,0|1,1,0]=3 85 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [1,0,0,0,0,0|3,0,0]=4 86 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [1,0,0,0,0,0|3,0,0]=4 87 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)N)Br Z1359984894 [1,0,0,0,0,0|3,0,0]=4 88 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [1,0,0,0,0,0|2,0,0]=3 89 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [1,0,0,0,0,0|3,0,0]=4 90 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [1,0,0,0,0,0|3,0,0]=4 91 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [1,0,0,0,0,0|3,0,0]=4 92 B13R1.511 NC(=O)CCC1=CC(=C(C=C1)F)F Z365255896 [1,0,0,0,0,0|2,0,0]=3 93 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)O)F Z1244088772 [1,0,0,0,0,0|2,0,0]=3 94 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)F Z2942853625 [1,0,0,0,0,0|1,0,2]=4 95 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)O)O Z240113804 [1,0,0,0,0,0|1,0,2]=4 96 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [1,0,0,0,0,0|1,1,0]=3 97 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [1,0,0,0,0,0|1,1,0]=3 98 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [1,0,0,0,0,0|1,0,0]=2 99 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [1,0,0,0,0,0|0,1,0]=2 100 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)Cl Z65558737 [1,0,0,0,0,0|2,1,0]=4 101 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)F Z1486018170 [1,0,0,0,0,0|2,0,0]=3 102 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)Cl Z65577990 [1,0,0,0,0,0|2,1,0]=4 103 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)F Z228583518 [1,0,0,0,0,0|2,0,0]=3 104 B13R1.511 O=C(O)CSC1=CC(=C(C=C1)F)F Z92655191 [1,0,0,0,0,0|2,0,0]=3 105 B13R1.2879 CC1=C(C=C(C=C1)CC(N)CO)C Z2255081939 [1,0,0,0,0,0|2,0,1]=4 106 B15R1.3777 COC1=C(C=C(C=C1)/C=C(\C)/C(=O)O)F Z1341755742 [0,1,0,0,0,0|1,0,2]=4 107 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)F Z756390470 [0,1,0,0,0,0|1,0,0]=2 108 B15R1.3777 COC1=C(C=C(C=C1)CN(C)C(=O)C)F Z67735551 [0,1,0,0,0,0|3,0,0]=4 109 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O Z3212891663 [0,1,0,0,0,0|1,0,0]=2 110 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)F)Cl Z5087129302 [0,1,0,0,0,0|1,1,0]=3 111 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F Z3073888196 [0,1,0,0,0,0|0,0,0]=1 112 B15R1.8408 CC1=C(C=CC(=C1O)O)CC(N)C(=O)O Z2327040070 [0,1,0,0,0,0|1,0,0]=2 113 B15R1.11316 CC1=C(C=CC(=C1)CC(C)(C)C(=O)O)Br Z2165882431 [0,1,0,0,0,0|3,0,0]=4 114 B15R1.11316 C[C@@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508927176 [0,1,0,0,0,0|1,0,0]=2 115 B15R1.11316 C[C@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508915075 [0,1,0,0,0,0|1,0,0]=2 116 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509614134 [0,1,0,0,0,0|0,1,0]=2 117 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509519863 [0,1,0,0,0,0|0,1,0]=2 118 B15R2.1102 CC1=C(C=C2OC(CC2=C1)C(=O)O)C Z1262250016 [0,0,0,1,0,0|3,0,0]=4 119 B15R2.1102 O=C(O)C1=CC2=C(N1)C=C(C(=C2)F)F Z1201621474 [0,0,0,1,0,0|1,0,2]=4 120 B15R2.18974 CC1=C(C=C(C=C1)[C@@H]2C[C@H]2C(=O)O)Br Z3271457256 [0,0,0,1,0,0|2,1,0]=4 121 B15R2.18974 CC1=C(C=C(C=C1)[C@@H]2C[C@H]2C(=O)O)C Z2242045493 [0,0,0,1,0,0|3,0,0]=4 122 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Br)Br Z3410034983 [0,0,0,1,0,0|2,1,0]=4 123 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Br Z3019995727 [0,0,0,1,0,0|2,1,0]=4 124 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Cl Z2242045590 [0,0,0,1,0,0|2,1,0]=4 125 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)F)F Z2307311644 [0,0,0,1,0,0|2,0,0]=3 126 B13R1.510 C=C(C)C(N)C1=CC(=C(C=C1)F)F Z1723418853 [0,0,0,0,1,0|3,0,0]=4 127 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z992423142 [0,0,0,0,1,0|2,1,0]=4 128 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)F)F Z792377186 [0,0,0,0,1,0|2,0,0]=3 129 B13R1.510 CC1=C(C=C(C=C1)C(C)C(=O)O)Br Z1813162631 [0,0,0,0,1,0|2,1,0]=4 130 B13R1.510 CC1=C(C=CC(=C1)C(C)C(=O)O)Br Z1813181647 [0,0,0,0,1,0|3,0,0]=4 131 B13R1.510 CC1=C(C=CC(=C1)C(N)C(=O)O)Cl Z1198640890 [0,0,0,0,1,0|2,0,0]=3 132 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z317024644 [0,0,0,0,1,0|1,1,0]=3 133 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)F Z1696091766 [0,0,0,0,1,0|1,0,0]=2 134 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)F)Cl Z1269179754 [0,0,0,0,1,0|1,1,0]=3 135 B13R1.510 O=C(O)C(=O)C1=CC(=C(C=C1)F)F Z381360892 [0,0,0,0,1,0|2,0,1]=4 136 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)Br Z1269204407 [0,0,0,0,1,0|2,1,0]=4 137 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)Cl Z788000702 [0,0,0,0,1,0|2,1,0]=4 138 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)F Z838972312 [0,0,0,0,1,0|2,0,0]=3 139 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)F)Cl Z1269153543 [0,0,0,0,1,0|2,1,0]=4 140 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)F)F Z788000624 [0,0,0,0,1,0|2,0,0]=3 141 B15R1.884 CC(SCC1=CC(=C(C=C1)Br)F)C(=O)N Z1337437246 [0,0,0,0,0,1|3,0,0]=4 142 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [2,0,0,0,0,0|2,0,0]=4 143 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [2,0,0,0,0,0|2,0,0]=4 144 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [2,0,0,0,0,0|2,0,0]=4 145 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [2,0,0,0,0,0|1,0,1]=4 146 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [2,0,0,0,0,0|2,0,0]=4 147 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [2,0,0,0,0,0|1,0,0]=3 148 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [2,0,0,0,0,0|2,0,0]=4 149 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [2,0,0,0,0,0|2,0,0]=4 150 B12R1.21 CC1=NC=C(C=C1)CCC(=O)O Z2310699273 [2,0,0,0,0,0|2,0,0]=4 151 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [2,0,0,0,0,0|2,0,0]=4 152 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [2,0,0,0,0,0|2,0,0]=4 153 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [2,0,0,0,0,0|2,0,0]=4 154 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [2,0,0,0,0,0|1,0,0]=3 155 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [2,0,0,0,0,0|2,0,0]=4 156 B12R1.21 NC1=NC=C(C=C1)CCC(=O)O Z1255384430 [2,0,0,0,0,0|2,0,0]=4 157 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [2,0,0,0,0,0|0,0,2]=4 158 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [2,0,0,0,0,0|1,0,0]=3 159 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [2,0,0,0,0,0|1,0,0]=3 160 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [2,0,0,0,0,0|1,0,0]=3 161 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [2,0,0,0,0,0|0,0,0]=2 162 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [2,0,0,0,0,0|2,0,0]=4 163 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [2,0,0,0,0,0|1,0,1]=4 164 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br Z1269216724 [2,0,0,0,0,0|2,0,0]=4 165 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [2,0,0,0,0,0|2,0,0]=4 166 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [2,0,0,0,0,0|2,0,0]=4 167 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [2,0,0,0,0,0|1,0,0]=3 168 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [2,0,0,0,0,0|2,0,0]=4 169 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [2,0,0,0,0,0|2,0,0]=4 170 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [2,0,0,0,0,0|2,0,0]=4 171 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [2,0,0,0,0,0|2,0,0]=4 172 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [2,0,0,0,0,0|1,0,0]=3 173 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [2,0,0,0,0,0|2,0,0]=4 174 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [2,0,0,0,0,0|2,0,0]=4 175 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [2,0,0,0,0,0|2,0,0]=4 176 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [2,0,0,0,0,0|1,0,0]=3 177 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [2,0,0,0,0,0|1,0,0]=3 178 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [2,0,0,0,0,0|1,0,0]=3 179 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [2,0,0,0,0,0|2,0,0]=4 180 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [2,0,0,0,0,0|2,0,0]=4 181 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [2,0,0,0,0,0|2,0,0]=4 182 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [2,0,0,0,0,0|2,0,0]=4 183 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [2,0,0,0,0,0|1,0,0]=3 184 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [2,0,0,0,0,0|1,0,0]=3 185 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [2,0,0,0,0,0|2,0,0]=4 186 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [2,0,0,0,0,0|1,0,0]=3 187 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [2,0,0,0,0,0|1,0,0]=3 188 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [2,0,0,0,0,0|0,0,0]=2 189 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [2,0,0,0,0,0|1,0,0]=3 190 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [2,0,0,0,0,0|1,0,0]=3 191 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [2,0,0,0,0,0|2,0,0]=4 192 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [2,0,0,0,0,0|1,0,0]=3 193 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [2,0,0,0,0,0|2,0,0]=4 194 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [2,0,0,0,0,0|2,0,0]=4 195 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [2,0,0,0,0,0|0,0,0]=2 196 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [2,0,0,0,0,0|0,0,0]=2 197 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [2,0,0,0,0,0|1,0,1]=4 198 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [2,0,0,0,0,0|1,0,0]=3 199 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [2,0,0,0,0,0|2,0,0]=4 200 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [2,0,0,0,0,0|1,0,0]=3 201 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [2,0,0,0,0,0|1,0,0]=3 202 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [2,0,0,0,0,0|2,0,0]=4 203 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [2,0,0,0,0,0|1,0,1]=4 204 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [2,0,0,0,0,0|1,0,1]=4 205 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [2,0,0,0,0,0|1,0,1]=4 206 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [2,0,0,0,0,0|1,0,1]=4 207 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [2,0,0,0,0,0|1,0,1]=4 208 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [2,0,0,0,0,0|0,0,1]=3 209 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [2,0,0,0,0,0|0,0,1]=3 210 B12R1.50 C#CC(N)CC1=CC(=CC=C1)F Z3178895122 [2,0,0,0,0,0|1,0,1]=4 211 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [2,0,0,0,0,0|1,0,1]=4 212 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [2,0,0,0,0,0|0,0,1]=3 213 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [2,0,0,0,0,0|2,0,0]=4 214 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [2,0,0,0,0,0|1,0,0]=3 215 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [2,0,0,0,0,0|2,0,0]=4 216 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [2,0,0,0,0,0|2,0,0]=4 217 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [2,0,0,0,0,0|1,0,0]=3 218 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [2,0,0,0,0,0|2,0,0]=4 219 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [2,0,0,0,0,0|2,0,0]=4 220 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [2,0,0,0,0,0|2,0,0]=4 221 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [2,0,0,0,0,0|2,0,0]=4 222 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [2,0,0,0,0,0|2,0,0]=4 223 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [2,0,0,0,0,0|2,0,0]=4 224 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [2,0,0,0,0,0|0,0,2]=4 225 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [2,0,0,0,0,0|0,1,0]=3 226 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [2,0,0,0,0,0|0,0,0]=2 227 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [2,0,0,0,0,0|1,0,0]=3 228 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F Z1262517660 [2,0,0,0,0,0|1,0,0]=3 229 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [2,0,0,0,0,0|2,0,0]=4 230 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [2,0,0,0,0,0|1,1,0]=4 231 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [2,0,0,0,0,0|1,1,0]=4 232 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [2,0,0,0,0,0|1,1,0]=4 233 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [2,0,0,0,0,0|1,1,0]=4 234 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [2,0,0,0,0,0|1,1,0]=4 235 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [2,0,0,0,0,0|1,0,0]=3 236 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [2,0,0,0,0,0|2,0,0]=4 237 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)Cl Z993017630 [2,0,0,0,0,0|1,1,0]=4 238 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)F Z1198182696 [2,0,0,0,0,0|1,0,0]=3 239 B12R1.385 O=CCCC1=CC(=C(C=C1)F)F Z1198182685 [2,0,0,0,0,0|1,0,0]=3 240 B12R1.19 CC(N)CC1=CC(=C(C=C1)O)O Z1891776857 [2,0,0,0,0,0|1,0,1]=4 241 B12R1.19 CC(O)CC1=CC(=C(C=C1)Br)F Z1295686053 [2,0,0,0,0,0|2,0,0]=4 242 B12R1.19 CC1=C(C=C(C=C1)CC(C)N)F Z4098107054 [2,0,0,0,0,0|1,0,1]=4 243 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)F Z1255445925 [2,0,0,0,0,0|1,0,1]=4 244 B14R1.3 CC(CC1=CC=C(C=C1)C#N)C(=O)O Z1198652586 [1,1,0,0,0,0|2,0,0]=4 245 B14R1.3 COC1=CC=C(C=C1)CC(C)C(=O)O Z513659616 [1,1,0,0,0,0|1,0,0]=3 246 B14R1.3 COC1=CC=C(C=C1)CC(O)C(=O)O Z1198174222 [1,1,0,0,0,0|1,0,0]=3 247 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O Z57825367 [1,1,0,0,0,0|2,0,0]=4 248 B14R1.3 COC1=CC=C(C=C1)SC(C)C(=O)O Z149354266 [1,1,0,0,0,0|2,0,0]=4 249 B14R1.3 CSC1=CC=C(C=C1)CC(N)C(=O)O Z1695906941 [1,1,0,0,0,0|0,1,0]=3 250 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(C=C1)Br Z1895583549 [1,1,0,0,0,0|2,0,0]=4 251 B14R1.132 CC1=CC=C(C=C1)C(C)C(O)C(=O)O Z1271904593 [1,1,0,0,0,0|2,0,0]=4 252 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)F Z1511495088 [1,1,0,0,0,0|1,0,0]=3 253 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O Z57000505 [1,1,0,0,0,0|0,0,0]=2 254 B14R1.536 CC1=CC=C(C=C1)CC(CN)C(=O)O Z1478043848 [1,1,0,0,0,0|1,0,0]=3 255 B14R1.536 CCC(CC1=CC=C(C=C1)N)C(=O)O Z1262539468 [1,1,0,0,0,0|2,0,0]=4 256 B14R1.536 NCC(CC1=CC=C(C=C1)Cl)C(=O)O Z1222331429 [1,1,0,0,0,0|1,0,0]=3 257 B14R1.536 NCC(CC1=CC=C(C=C1)F)C(=O)N Z367446796 [1,1,0,0,0,0|2,0,0]=4 258 B14R1.536 NCC(OC1=CC=C(C=C1)F)C(=O)O Z1508667025 [1,1,0,0,0,0|2,0,0]=4 259 B14R1.6049 CC(CC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z756390528 [1,1,0,0,0,0|2,0,0]=4 260 B14R1.6049 NC(CC1=C(C=C(C=C1)F)F)C(=O)O Z3847441641 [1,1,0,0,0,0|1,0,0]=3 261 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Br)C(=O)O Z995179700 [1,1,0,0,0,0|2,0,0]=4 262 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Cl)C(=O)O Z995179626 [1,1,0,0,0,0|2,0,0]=4 263 B14R1.7626 CC(C)(CC1=CC=C(C=C1)O)C(=O)O Z1376887330 [1,1,0,0,0,0|1,0,0]=3 264 B14R1.7626 CC(N)(CC1=CC=C(C=C1)Br)C(=O)O Z2786605576 [1,1,0,0,0,0|1,0,0]=3 265 B14R1.7626 CC(N)(CC1=CC=C(C=C1)F)C(=O)O Z2734797269 [1,1,0,0,0,0|1,0,0]=3 266 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O Z1255434943 [1,1,0,0,0,0|0,0,0]=2 267 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O Z317024998 [1,1,0,0,0,0|1,0,0]=3 268 B14R1.75 COC1=CC(=CC=C1)CC(O)C(=O)O Z1255373702 [1,1,0,0,0,0|2,0,0]=4 269 B14R1.135 COC(=O)C(F)CC1=CC(=CC=C1)N Z4544308432 [1,1,0,0,0,0|2,0,0]=4 270 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Br Z3333650468 [1,1,0,0,0,0|0,1,0]=3 271 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Cl Z4790981271 [1,1,0,0,0,0|0,1,0]=3 272 B14R1.135 COC(=O)C(N)CC1=NC(=CC=C1)C Z4911926286 [1,1,0,0,0,0|2,0,0]=4 273 B14R1.542 CC1=CC(=CC=C1)CC(CN)C(=O)O Z1473553886 [1,1,0,0,0,0|1,0,0]=3 274 B14R1.542 CCC(CC1=CC(=CC=C1)Br)C(=O)O Z513660416 [1,1,0,0,0,0|1,1,0]=4 275 B14R1.542 NCC(CC1=CC(=CC=C1)Cl)C(=O)O Z1222278653 [1,1,0,0,0,0|0,1,0]=3 276 B14R1.542 NCC(CC1=CC(=CC=C1)O)C(=O)O Z2690874822 [1,1,0,0,0,0|1,0,0]=3 277 B14R1.4257 CC1=CC(=CC(=C1)CC(N)C(=O)O)C Z1259273092 [1,1,0,0,0,0|1,0,0]=3 278 B14R1.4257 NC(CC1=CC(=CC(=C1)Cl)Cl)C(=O)O Z1416200972 [1,1,0,0,0,0|0,1,0]=3 279 B14R1.4257 NC1=CC(=CC(=C1)CC(N)C(=O)O)N Z3282761044 [1,1,0,0,0,0|1,0,0]=3 280 B14R1.4257 O=C(O)C(O)CC1=CC(=CC(=C1)Cl)Cl Z1813095346 [1,1,0,0,0,0|1,1,0]=4 281 B14R1.4404 CC(C)(CC1=CC(=CC=C1)Cl)C(=O)O Z995179628 [1,1,0,0,0,0|1,1,0]=4 282 B14R1.4474 NC(CC1=C(C=CC(=C1)Cl)Cl)C(=O)O Z5010675411 [1,1,0,0,0,0|0,1,0]=3 283 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)C)O Z1255442373 [1,1,0,0,0,0|2,0,0]=4 284 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)Cl Z1269146778 [1,1,0,0,0,0|2,0,0]=4 285 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O Z317038020 [1,1,0,0,0,0|1,0,0]=3 286 B14R1.42 O=CC1=C(C=CC(=C1)CCC(=O)O)O Z1262519251 [1,1,0,0,0,0|1,0,0]=3 287 B14R1.685 CC(CC(=O)O)C1=CC(=C(C=C1)F)Br Z1813131228 [1,1,0,0,0,0|1,1,0]=4 288 B14R1.685 CC1=C(C=C(C=C1)C(N)CC(=O)O)C Z445853348 [1,1,0,0,0,0|2,0,0]=4 289 B14R1.833 CC1=C(C=C(C=C1)CNC(=O)CO)F Z431952198 [1,1,0,0,0,0|2,0,0]=4 290 B14R1.833 COC(=O)CCC1=CC(=C(C=C1)O)N Z1509418737 [1,1,0,0,0,0|1,0,0]=3 291 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)F Z2312274789 [1,1,0,0,0,0|0,0,2]=4 292 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)C)O Z1268633028 [1,1,0,0,0,0|2,0,0]=4 293 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br Z303635158 [1,1,0,0,0,0|0,1,0]=3 294 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Cl Z235345357 [1,1,0,0,0,0|0,1,0]=3 295 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)N Z1251354132 [1,1,0,0,0,0|1,0,0]=3 296 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)O Z317038026 [1,1,0,0,0,0|1,0,0]=3 297 B14R1.3653 COC1=C(C=C(C=C1)OCC(=O)O)C Z1430609738 [1,1,0,0,0,0|2,0,0]=4 298 B14R1.6059 O=C(O)COC1=C(C(=C(C=C1)Br)F)F Z3183344767 [1,1,0,0,0,0|2,0,0]=4 299 B14R1.15552 O=C(O)CCC1=CC(=C(C(=C1)F)F)F Z1080514026 [1,1,0,0,0,0|1,0,0]=3 300 B14R1.3276 COC1=C(C=C(C=C1)CC(C)C=O)F Z1238838025 [1,1,0,0,0,0|1,0,0]=3 301 B14R1.3276 COC1=C(C=C(C=C1)CC(C)CO)F Z1238840553 [1,1,0,0,0,0|1,0,1]=4 302 B14R1.699 CC(C)(C(=O)O)C1=CC(=C(C=C1)F)F Z1020787480 [0,1,0,0,1,0|2,0,0]=4 303 B14R1.699 CC(N)(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z317024936 [0,1,0,0,1,0|1,1,0]=4 304 B14R1.1032 CNC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z446011628 [0,1,0,0,1,0|1,1,0]=4 305 B14R1.3652 COC1=C(C=C(C=C1)C(C)C(=O)O)F Z792377220 [0,1,0,0,1,0|1,0,0]=3 306 B14R1.3652 COC1=C(C=C(C=C1)C(N)C(=O)O)F Z1198160556 [0,1,0,0,1,0|0,0,0]=2 307 B14R1.3652 COC1=C(C=C(C=C1)C(O)C(=O)O)Br Z788000944 [0,1,0,0,1,0|1,1,0]=4 308 B14R1.6038 O=C(O)C(O)C1=C(C=C(C(=C1)F)F)F Z1269165997 [0,1,0,0,1,0|2,0,0]=4 309 B14R1.6058 NC(C(=O)O)C1=C(C(=C(C=C1)F)Cl)F Z3252093844 [0,1,0,0,1,0|1,1,0]=4 310 B14R1.15551 CC(C(=O)O)C1=CC(=C(C(=C1)F)F)F Z2182026917 [0,1,0,0,1,0|2,0,0]=4 311 B14R1.15551 CC1=CC(=CC(=C1O)C)C(N)C(=O)O Z361432018 [0,1,0,0,1,0|1,0,0]=3 312 B14R1.15551 O=C(O)C(O)C1=CC(=C(C(=C1)F)F)F Z1080522092 [0,1,0,0,1,0|2,0,0]=4 313 B16R1.11361 NC(CC(=O)O)CC1=C(C=C(C(=C1)F)F)F Z2311288757 [0,1,0,0,0,1|1,0,0]=3 314 B16R1.1617 O=CNC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z1201004340 [0,2,0,0,0,0|1,1,0]=4 315 B16R1.2962 NCC(CC1=CC(=C(C(=C1)F)F)F)C(=O)O Z1889710326 [0,2,0,0,0,0|1,0,0]=3 316 B16R1.4290 COC1=C(C=C(C=C1)CC(CN)C(=O)O)F Z2739890402 [0,2,0,0,0,0|0,0,0]=2 317 B16R1.94545 C[C@@](CC1=CC(=C(C=C1)O)O)(NN)C(=O)O Z2301684895 [0,2,0,0,0,0|1,0,0]=3 318 B16R1.4274 COC1=C(C=C(C=C1)CC(C)C(=O)O)OC Z1233159921 [0,2,0,0,0,0|2,0,0]=4 319 B16R1.1058 NC(CC1=CC(=C(N=C1)O)[N+](=O)[O-])C(=O)O Z3716662250 [0,2,0,0,0,0|2,0,0]=4 320 B16R1.1058 N[C@@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)O Z1889995474 [0,2,0,0,0,0|1,0,0]=3 321 B16R1.4730 COC(=O)C(N)CC1=CC(=C(C=C1)O)OC Z3221821579 [0,2,0,0,0,0|1,0,0]=3 322 B16R1.4970 CCOC(=O)[C@@H](N)CC1=CC(=C(C=C1)O)O Z1691545270 [0,2,0,0,0,0|1,0,0]=3 323 B16R1.4970 CCOC(=O)[C@H](N)CC1=CC(=C(C=C1)O)O Z1642348830 [0,2,0,0,0,0|1,0,0]=3 324 B16R1.3916 NC(CC1=C(C(=C(C(=C1)Br)O)F)F)C(=O)O Z3064247560 [0,2,0,0,0,0|0,0,0]=2 325 B16R1.3916 NC(CC1=C(C(=C(C(=C1)F)F)F)F)C(=O)O Z4905682364 [0,2,0,0,0,0|1,0,0]=3 326 B14R2.4402 CC1=CC=C(C=C1)C2CC2C(=O)O Z450468392 [1,0,0,1,0,0|2,0,0]=4 327 B14R2.4402 NC1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)O Z2309896677 [1,0,0,1,0,0|2,0,0]=4 328 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)Br Z450468406 [1,0,0,1,0,0|2,0,0]=4 329 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)F Z203244232 [1,0,0,1,0,0|2,0,0]=4 330 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2306910175 [1,0,0,1,0,0|2,0,0]=4 331 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2327124588 [1,0,0,1,0,0|2,0,0]=4 332 B14R2.4529 CC1=CC2=C(C=C1)CC(S2)C(=O)O Z223677100 [1,0,0,1,0,0|2,0,0]=4 333 B14R2.4529 O=C(O)C1CC2=C(C1)C=C(C=C2)F Z1262528526 [1,0,0,1,0,0|2,0,0]=4 334 B14R2.4529 O=C(O)C1CC2=C(O1)C=C(C=C2)Br Z2751941707 [1,0,0,1,0,0|2,0,0]=4 335 B14R2.8239 NC1CC2=C(C=C(C=C2)Br)NC1=O Z2651689853 [1,0,0,1,0,0|2,0,0]=4 336 B14R2.4476 CC1=CC(=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2306910179 [1,0,0,1,0,0|2,0,0]=4 337 B14R2.4476 O=C(O)C1CC1C2=CC(=CC=C2)O Z1216651566 [1,0,0,1,0,0|2,0,0]=4 338 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Br Z2251736248 [1,0,0,1,0,0|1,1,0]=4 339 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2250620212 [1,0,0,1,0,0|1,1,0]=4 340 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)F Z2309887928 [1,0,0,1,0,0|1,0,0]=3 341 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(=CC=C2)O Z1262554401 [1,0,0,1,0,0|2,0,0]=4 342 B14R2.7969 CC1=C2OC(CC2=CC=C1)C(=O)O Z1262521699 [1,0,0,1,0,0|2,0,0]=4 343 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)F Z285234022 [1,0,0,1,0,0|0,0,2]=4 344 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2O1)F Z1813140041 [1,0,0,1,0,0|2,0,0]=4 345 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2S1)F Z228589552 [1,0,0,1,0,0|2,0,0]=4 346 B14R2.7969 O=C(O)C1CC2=C(O1)C(=CC=C2)F Z1259128059 [1,0,0,1,0,0|1,0,0]=3 347 B14R2.7933 O=C(O)C1CC2=C1C=C(C(=C2)F)O Z4959121917 [1,0,0,1,0,0|0,0,0]=2 348 B16R2.33215 CC1(CC1C(=O)O)C2=CC(=C(C=C2)F)F Z979743370 [0,1,0,1,0,0|2,0,0]=4 349 B16R2.6257 NC(CC1=CC2=C(C=C1)OCO2)C(=O)O Z381429884 [0,1,0,1,0,0|1,0,0]=3 350 B16R2.375752 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C(=C2)F)F)F Z2327124589 [0,1,0,1,0,0|2,0,0]=4 351 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Br Z1259342200 [1,0,0,0,1,0|2,0,0]=4 352 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Cl Z982129848 [1,0,0,0,1,0|2,0,0]=4 353 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F Z792377290 [1,0,0,0,1,0|2,0,0]=4 354 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)I Z1269218602 [1,0,0,0,1,0|2,0,0]=4 355 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N Z2935001159 [1,0,0,0,1,0|2,0,0]=4 356 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O Z792377274 [1,0,0,0,1,0|2,0,0]=4 357 B12R1.20 CC1=CC=C(C=C1)C(N)C(=O)O Z317024662 [1,0,0,0,1,0|1,0,0]=3 358 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Br Z57069227 [1,0,0,0,1,0|2,0,0]=4 359 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Cl Z1255523404 [1,0,0,0,1,0|2,0,0]=4 360 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)F Z220512688 [1,0,0,0,1,0|2,0,0]=4 361 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br Z317024668 [1,0,0,0,1,0|1,0,0]=3 362 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Cl Z317024646 [1,0,0,0,1,0|1,0,0]=3 363 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)F Z317024670 [1,0,0,0,1,0|1,0,0]=3 364 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [1,0,0,0,1,0|0,0,0]=2 365 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)F Z1255390982 [1,0,0,0,1,0|1,0,0]=3 366 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [1,0,0,0,1,0|0,0,0]=2 367 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O Z2472464309 [1,0,0,0,1,0|1,0,1]=4 368 B12R1.20 O=C(O)C(F)C1=CC=C(C=C1)F Z1318255176 [1,0,0,0,1,0|2,0,0]=4 369 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [1,0,0,0,1,0|2,0,0]=4 370 B12R1.104 NC(CC1=CSC(=C1)Cl)C(=O)O Z3464487109 [1,0,0,0,1,0|2,0,0]=4 371 B12R1.145 NC(CC1=C(SC=C1)Cl)C(=O)O Z3337480266 [1,0,0,0,1,0|1,1,0]=4 372 B12R1.225 CC(C(=O)O)C1=CC(=CC=C1)F Z792377330 [1,0,0,0,1,0|1,0,0]=3 373 B12R1.225 CC1=CC(=CC=C1)C(N)C(=O)O Z317024596 [1,0,0,0,1,0|1,0,0]=3 374 B12R1.225 CC1=CC(=CC=C1)C(O)C(=O)O Z788000614 [1,0,0,0,1,0|2,0,0]=4 375 B12R1.225 CC1=CC=CC(=C1)C(C)C(=O)O Z802854000 [1,0,0,0,1,0|2,0,0]=4 376 B12R1.225 NC(=O)C(N)C1=CC(=CC=C1)Br Z477338262 [1,0,0,0,1,0|1,1,0]=4 377 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Br Z317024672 [1,0,0,0,1,0|0,1,0]=3 378 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Cl Z317024654 [1,0,0,0,1,0|0,1,0]=3 379 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)F Z317024592 [1,0,0,0,1,0|0,0,0]=2 380 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)I Z3477438782 [1,0,0,0,1,0|0,1,0]=3 381 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)O Z1532541074 [1,0,0,0,1,0|1,0,0]=3 382 B12R1.225 NC1=CC(=CC=C1)C(O)C(=O)O Z1262512603 [1,0,0,0,1,0|2,0,0]=4 383 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Br Z788000730 [1,0,0,0,1,0|1,1,0]=4 384 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Cl Z788000712 [1,0,0,0,1,0|1,1,0]=4 385 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)F Z788000610 [1,0,0,0,1,0|1,0,0]=3 386 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)I Z1269151011 [1,0,0,0,1,0|1,1,0]=4 387 B12R1.367 NC(CO)C1=CC(=C(C=C1)Br)F Z2205958451 [1,0,0,0,1,0|1,0,1]=4 388 B14R1.679 CC(CSC1=CC=C(C=C1)F)C(=O)O Z431541816 [1,0,0,0,0,1|2,0,0]=4 389 B14R1.679 CC(NCC1=CC=C(C=C1)F)C(=O)O Z363997798 [1,0,0,0,0,1|2,0,0]=4 390 B14R1.679 CC(OCC1=CC=C(C=C1)F)C(=O)O Z1262558351 [1,0,0,0,0,1|2,0,0]=4 391 B14R1.679 CC(SCC1=CC=C(C=C1)Br)C(=O)O Z18753942 [1,0,0,0,0,1|2,0,0]=4 392 B14R1.679 CC1=CC=C(C=C1)COC(C)C(=O)O Z1714301562 [1,0,0,0,0,1|2,0,0]=4 393 B14R1.679 NC(CCC1=CC=C(C=C1)Br)C(=O)O Z4310725393 [1,0,0,0,0,1|1,0,0]=3 394 B14R1.679 NC1=CC=C(C=C1)SCC(N)C(=O)O Z1263568367 [1,0,0,0,0,1|1,0,0]=3 395 B14R1.698 CC(CC(=O)O)CC1=CC=C(C=C1)Cl Z1269212618 [1,0,0,0,0,1|2,0,0]=4 396 B14R1.5956 CC(CCC1=CC(=CC=C1)F)C(=O)O Z1259341391 [1,0,0,0,0,1|1,0,0]=3 397 B14R1.5956 CC(NCC1=CC(=CC=C1)F)C(=O)O Z426041634 [1,0,0,0,0,1|1,0,0]=3 398 B14R1.5978 CC(CC(=O)O)CC1=CC(=CC=C1)F Z1295543728 [1,0,0,0,0,1|1,0,0]=3 399 B14R1.687 CC(=O)NCCC1=CC(=C(C=C1)O)O Z68159731 [1,0,0,0,0,1|2,0,0]=4 400 B14R1.687 CC1=C(C=C(C=C1)CCCC(=O)O)C Z367662128 [1,0,0,0,0,1|2,0,0]=4 401 B14R1.687 CC1=C(C=C(C=C1)NCCC(=O)O)Cl Z359505722 [1,0,0,0,0,1|1,1,0]=4 402 B14R1.687 CC1=C(C=C(C=C1)OCCC(=O)O)C Z240085168 [1,0,0,0,0,1|2,0,0]=4 403 B14R1.687 CC1=C(C=C(C=C1)SCCC(=O)O)C Z57981106 [1,0,0,0,0,1|2,0,0]=4 404 B14R1.687 O=C(O)CCCC1=CC(=C(C=C1)Cl)Cl Z389928002 [1,0,0,0,0,1|1,1,0]=4 405 B14R1.687 O=C(O)CCCC1=CC(=C(C=C1)F)F Z336286022 [1,0,0,0,0,1|1,0,0]=3 406 B14R1.687 O=C(O)CCOC1=CC(=C(C=C1)Cl)Cl Z206412696 [1,0,0,0,0,1|1,1,0]=4 407 B14R1.687 O=C(O)CCOC1=CC(=C(C=C1)F)Cl Z210548238 [1,0,0,0,0,1|1,1,0]=4 408 B14R1.687 O=C(O)CCSC1=CC(=C(C=C1)F)F Z99598954 [1,0,0,0,0,1|1,0,0]=3 409 B14R1.687 O=C(O)CSCC1=CC(=C(C=C1)Cl)Cl Z19691711 [1,0,0,0,0,1|1,1,0]=4 410 B16R1.1037 NC(CCCC1=CC(=C(C=C1)O)O)C(=O)O Z3582628439 [0,0,0,0,0,2|1,0,0]=3