0 B13R1.510 NC(C(=O)O)C1=CC=C(C(=C1)F)F CDS022248 [1,0,0,0,0,0|3,0,0]=4 1 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)Cl OTV000770 [1,0,0,0,0,0|1,0,0]=2 2 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)Br OTV000687 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.3493 CC(C)(C(=O)O)C1=CC=CC(=C1)Cl OTV000681 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.3493 CC1=CC(=CC=C1)C(C)(C)C(=O)O PH010805 [1,0,0,0,0,0|2,0,0]=3 5 B15R1.3810 COC1=CC=C(C=C1Cl)C(C)(O)C(=O)O L128929 [0,1,0,0,0,0|1,0,0]=2 6 B15R2.77599 O=C(O)C1(CC1)C2=CC=C(C(=C2)Cl)Cl CDS005422 [0,0,0,1,0,0|3,0,0]=4 7 B15R1.11316 CC1=CC(=CC=C1Cl)OC(C)(C)C(=O)O CDS005606 [0,0,0,0,0,1|3,0,0]=4 8 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)O)O PH006902 [2,0,0,0,0,0|2,0,0]=4 9 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [2,0,0,0,0,0|1,0,0]=3 11 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [2,0,0,0,0,0|2,0,0]=4 12 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [2,0,0,0,0,0|1,0,0]=3 13 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [2,0,0,0,0,0|0,0,0]=2 24 B14R1.1032 COC(C(=O)O)C1=CC=C(C(=C1)Cl)Cl S648701 [1,1,0,0,0,0|2,0,0]=4 25 B14R1.3652 COC1=C(C=C(C=C1)C(O)C(=O)O)Cl L128597 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.3652 COC1=CC=C(C=C1Br)[C@@H](N)C(=O)O PH015961 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.213 COC1=CC=C(C=C1)C(C)(C)C(=O)O OTV000683 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.4470 CC(C)(C(=O)O)C1=C(C=C(C=C1)Cl)Cl OTV000736 [1,1,0,0,0,0|2,0,0]=4 29 B16R1.76178 COC(=O)C(C)(N)CC1=CC=C(C(=C1)C)O S455326 [0,1,0,0,0,1|2,0,0]=4 30 B16R1.25085 COC1=CC=C(C=C1OC)C(C)(C)C(=O)O OTV000682 [0,2,0,0,0,0|1,0,0]=3 31 B14R2.10595 CC1=CC=C(C=C1)C2(CC2)C(=O)O S448206 [1,0,0,1,0,0|2,0,0]=4 32 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)Br BBO000686 [1,0,0,1,0,0|2,0,0]=4 33 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)Br CDS013359 [1,0,0,1,0,0|2,0,0]=4 34 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)F BBO000772 [1,0,0,1,0,0|2,0,0]=4 35 B14R2.20876 O=C(O)C1(CC1)C2=CC=CC(=C2)Br BBO000753 [1,0,0,1,0,0|2,0,0]=4 36 B14R2.20876 O=C(O)C1(CC1)C2=CC=CC(=C2)Cl BBO000752 [1,0,0,1,0,0|2,0,0]=4 37 B14R1.685 CC1=C(C=C(C=C1)C(C)CC(=O)O)Br L128104 [1,0,0,0,0,1|2,0,0]=4 38 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O CDS010801 [1,0,0,0,0,1|2,0,0]=4 39 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O PH010243 [1,0,0,0,0,1|2,0,0]=4 40 B14R1.7626 CC(C)(OC1=CC=C(C=C1)N)C(=O)O CDS017204 [1,0,0,0,0,1|2,0,0]=4 41 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [1,0,0,0,0,1|1,0,0]=3 42 B14R1.7626 CC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR01170 [1,0,0,0,0,1|2,0,0]=4 43 B14R1.7626 CC1=CC=C(C=C1)OC(C)(C)C(=O)O CDS005609 [1,0,0,0,0,1|2,0,0]=4 44 B14R1.4404 CC(C)(CC1=CC(=CC=C1)F)C(=O)O PH017258 [1,0,0,0,0,1|2,0,0]=4 45 B14R1.4404 CC(C)(OC1=CC=CC(=C1)Cl)C(=O)O CDS005607 [1,0,0,0,0,1|2,0,0]=4 46 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [3,0,0,0,0,0|0,0,1]=4 47 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [3,0,0,0,0,0|1,0,0]=4 48 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [3,0,0,0,0,0|1,0,0]=4 49 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [3,0,0,0,0,0|1,0,0]=4 50 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [3,0,0,0,0,0|0,0,0]=3 51 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [3,0,0,0,0,0|0,1,0]=4 52 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [3,0,0,0,0,0|1,0,0]=4 53 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [2,1,0,0,0,0|1,0,0]=4 54 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [2,1,0,0,0,0|1,0,0]=4 55 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [2,1,0,0,0,0|1,0,0]=4 56 B13R1.36 COC1=CC=C(C=C1)C(Br)C(=O)O PH016225 [2,1,0,0,0,0|1,0,0]=4 57 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)Br CDS016280 [2,1,0,0,0,0|1,0,0]=4 58 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)C PH018590 [2,1,0,0,0,0|1,0,0]=4 59 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)Cl PH018559 [2,1,0,0,0,0|1,0,0]=4 60 B13R1.716 COC(C(=O)O)C1=CC(=CC=C1)F PH018591 [2,1,0,0,0,0|1,0,0]=4 61 B13R1.716 COC(C(=O)O)C1=CC=CC(=C1)C PH014847 [2,1,0,0,0,0|1,0,0]=4 62 B13R1.716 COC(C(=O)O)C1=CC=CC(=C1)Cl PH018558 [2,1,0,0,0,0|1,0,0]=4 63 B13R1.897 O=C(O)C(O)C1=CC(=CC=C1F)F R436208 [2,1,0,0,0,0|1,0,0]=4 64 B13R1.708 COC(=O)C(C)(O)C1=CC=CC=C1 CDS020879 [2,1,0,0,0,0|0,0,0]=3 65 B13R1.708 COC(=O)C(C)(O)C1=CC=NC=C1 CDS021289 [2,1,0,0,0,0|1,0,0]=4 66 B13R1.3085 CCC(C)(C(=O)O)C1=CC=CC=C1 S495018 [2,1,0,0,0,0|1,0,0]=4 67 B13R1.3085 CCC(C)(C(=O)O)C1=CC=CC=C1 S497207 [2,1,0,0,0,0|1,0,0]=4 68 B13R1.3085 CC[C@](N)(C(=O)O)C1=CC=CC=C1 PH000156 [2,1,0,0,0,0|1,0,0]=4 69 B13R1.3085 COC(C)(C(=O)C)C1=CC=CC=C1 S324132 [2,1,0,0,0,0|1,0,0]=4 70 B15R1.216 COC1=CC=C(C=C1)CC(C)(N)C(=O)O PH004962 [1,1,0,0,0,1|1,0,0]=4 71 B15R1.216 COC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR02248 [1,1,0,0,0,1|1,0,0]=4 72 B15R1.11653 COC(=O)C(C)(N)CC1=CC=CC(=C1)O S427721 [1,1,0,0,0,1|1,0,0]=4 73 B15R1.641 CCCC(C(=O)N)C1=CC(=C(C=C1)O)O R278602 [1,2,0,0,0,0|1,0,0]=4 74 B17R1.127650 CCOC(=O)[C@@](C)(N)CC1=CC=C(C(=C1)O)O PH013408 [0,2,0,0,0,1|1,0,0]=4 75 B17R2.525352 COC1=CC=C(C=C1OC)C2(CC2)C(=O)O BBO000489 [0,2,0,1,0,0|1,0,0]=4 76 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [2,0,0,0,0,1|1,0,0]=4 77 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [2,0,0,0,0,1|1,0,0]=4 78 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [2,0,0,0,0,1|0,0,0]=3 79 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [2,0,0,0,0,1|1,0,0]=4 80 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [2,0,0,0,0,1|0,0,0]=3 81 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [2,0,0,0,0,1|1,0,0]=4 82 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [2,0,0,0,0,1|1,0,0]=4 83 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [2,0,0,0,0,1|1,0,0]=4 84 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [2,0,0,0,0,1|1,0,0]=4 85 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [2,0,0,0,0,1|1,0,0]=4 86 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [2,0,0,0,0,1|1,0,0]=4 87 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [2,0,0,0,0,1|1,0,0]=4 88 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [2,0,0,0,0,1|1,0,0]=4