0 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509614134 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509519863 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O Z756390562 [1,0,0,0,0,0|2,1,0]=4 3 B14R1.686 CC(CC1=CC(=C(C=C1)F)F)C(=O)O Z1341747667 [1,0,0,0,0,0|2,1,0]=4 4 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [1,0,0,0,0,0|2,0,0]=3 5 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 6 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 7 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z317025744 [1,0,0,0,0,0|1,1,0]=3 8 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5185412106 [1,0,0,0,0,0|1,1,0]=3 9 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [1,0,0,0,0,0|0,1,0]=2 10 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [1,0,0,0,0,0|0,0,0]=1 11 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [1,0,0,0,0,0|1,0,0]=2 12 B14R1.686 N[C@H](CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5212272143 [1,0,0,0,0,0|1,1,0]=3 13 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [1,0,0,0,0,0|1,0,0]=2 14 B14R1.4257 CC1=CC(=CC(=C1)CC(N)C(=O)O)C Z1259273092 [1,0,0,0,0,0|2,0,0]=3 15 B14R1.4257 NC(CC1=CC(=CC(=C1)Cl)Cl)C(=O)O Z1416200972 [1,0,0,0,0,0|0,2,0]=3 16 B14R1.4257 NC1=CC(=CC(=C1)CC(N)C(=O)O)N Z3282761044 [1,0,0,0,0,0|2,0,0]=3 17 B14R1.4257 O=C(O)C(O)CC1=CC(=CC(=C1)Cl)Cl Z1813095346 [1,0,0,0,0,0|1,2,0]=4 18 B14R1.15552 O=C(O)CCC1=CC(=C(C(=C1)F)F)F Z1080514026 [1,0,0,0,0,0|1,2,0]=4 19 B16R1.2962 NCC(CC1=CC(=C(C(=C1)F)F)F)C(=O)O Z1889710326 [0,1,0,0,0,0|1,2,0]=4 20 B16R1.3916 NC(CC1=C(C(=C(C(=C1)Br)O)F)F)C(=O)O Z3064247560 [0,1,0,0,0,0|0,2,0]=3 21 B16R1.3916 NC(CC1=C(C(=C(C(=C1)F)F)F)F)C(=O)O Z4905682364 [0,1,0,0,0,0|1,2,0]=4 22 B14R1.15551 CC1=CC(=CC(=C1O)C)C(N)C(=O)O Z361432018 [0,0,0,0,1,0|2,0,0]=3 23 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [2,0,0,0,0,0|2,0,0]=4 24 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [2,0,0,0,0,0|2,0,0]=4 25 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [2,0,0,0,0,0|2,0,0]=4 26 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [2,0,0,0,0,0|2,0,0]=4 27 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [2,0,0,0,0,0|2,0,0]=4 28 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [2,0,0,0,0,0|1,0,0]=3 30 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [2,0,0,0,0,0|1,0,0]=3 32 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [2,0,0,0,0,0|1,0,0]=3 33 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [2,0,0,0,0,0|0,0,0]=2 34 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [2,0,0,0,0,0|1,0,0]=3 35 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [2,0,0,0,0,0|2,0,0]=4 36 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 37 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 38 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 39 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 40 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 41 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 42 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 43 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [2,0,0,0,0,0|2,0,0]=4 44 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [2,0,0,0,0,0|1,1,0]=4 46 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [2,0,0,0,0,0|1,1,0]=4 47 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [2,0,0,0,0,0|1,0,0]=3 48 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [2,0,0,0,0,0|2,0,0]=4 49 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [2,0,0,0,0,0|2,0,0]=4 50 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [2,0,0,0,0,0|2,0,0]=4 51 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [2,0,0,0,0,0|0,1,0]=3 52 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [2,0,0,0,0,0|0,1,0]=3 53 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [2,0,0,0,0,0|1,0,0]=3 54 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [2,0,0,0,0,0|1,1,0]=4 55 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [2,0,0,0,0,0|1,1,0]=4 56 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [2,0,0,0,0,0|1,1,0]=4 57 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [2,0,0,0,0,0|2,0,0]=4 58 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [2,0,0,0,0,0|2,0,0]=4 59 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [2,0,0,0,0,0|1,1,0]=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|1,0,0]=3 62 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [2,0,0,0,0,0|1,0,0]=3 63 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [2,0,0,0,0,0|1,1,0]=4 64 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [2,0,0,0,0,0|1,1,0]=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|1,1,0]=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)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [2,0,0,0,0,0|1,1,0]=4 69 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [2,0,0,0,0,0|1,1,0]=4 70 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [2,0,0,0,0,0|1,1,0]=4 71 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [2,0,0,0,0,0|0,1,0]=3 72 B13R1.3420 CC1=CC(=CC(=C1)CCC(=O)O)C Z733374122 [2,0,0,0,0,0|2,0,0]=4 73 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)Cl)Cl Z452430960 [2,0,0,0,0,0|0,2,0]=4 74 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)F)Br Z1269243583 [2,0,0,0,0,0|0,2,0]=4 75 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)F Z756390470 [1,1,0,0,0,0|1,1,0]=4 76 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O Z3212891663 [1,1,0,0,0,0|1,0,0]=3 77 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)F)Cl Z5087129302 [1,1,0,0,0,0|1,1,0]=4 78 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F Z3073888196 [1,1,0,0,0,0|0,1,0]=3 79 B15R1.8408 CC1=C(C=CC(=C1O)O)CC(N)C(=O)O Z2327040070 [1,1,0,0,0,0|1,0,0]=3 80 B15R1.11316 C[C@@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508927176 [1,1,0,0,0,0|1,0,0]=3 81 B15R1.11316 C[C@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508915075 [1,1,0,0,0,0|1,0,0]=3 82 B15R1.421 COC1=CC(=CC(=C1)O)CC(N)C(=O)O Z234895213 [1,1,0,0,0,0|2,0,0]=4 83 B15R1.421 CSC1=CC(=CC(=C1)Cl)CC(N)C(=O)O Z3407165822 [1,1,0,0,0,0|1,1,0]=4 84 B13R1.510 CC1=C(C=CC(=C1)C(N)C(=O)O)Cl Z1198640890 [1,0,0,0,1,0|2,0,0]=4 85 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z317024644 [1,0,0,0,1,0|1,1,0]=4 86 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)F Z1696091766 [1,0,0,0,1,0|1,1,0]=4 87 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)F)Cl Z1269179754 [1,0,0,0,1,0|1,1,0]=4 88 B13R1.3423 CC1=CC(=CC(=C1)C(N)C(=O)O)C Z838975722 [1,0,0,0,1,0|2,0,0]=4 89 B13R1.3423 NC(C(=O)O)C1=CC(=CC(=C1)O)O Z3014398879 [1,0,0,0,1,0|2,0,0]=4