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B16R1.6729 NC(=O)C(CC1=CC=CC=C1)NC(=O)CCl Z1562130066 [0,1,0,0,0,0|2,0,0]=3 14 B16R1.6729 O=C(CCl)NC(CC1=CC=CC=C1)C(=O)O Z56943495 [0,1,0,0,0,0|1,0,0]=2 15 B16R1.6927 CC(=O)N/C(=C\C1=CC=C(C=C1)C)/C(=O)O Z208192142 [0,1,0,0,0,0|1,0,2]=4 16 B16R1.6927 CC(=O)N/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O Z220356502 [0,1,0,0,0,0|1,0,2]=4 17 B16R1.6927 CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O Z239130480 [0,1,0,0,0,0|1,0,0]=2 18 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756442196 [0,1,0,0,0,0|1,0,0]=2 19 B16R1.6927 NC1=CC=C(C=C1)CC(CC(=O)O)C(=O)O Z2044817716 [0,1,0,0,0,0|2,0,0]=3 20 B16R1.7303 CC1=CC(=CC=C1)CC(CC(=O)O)C(=O)O Z2049940636 [0,1,0,0,0,0|2,0,0]=3 21 B16R1.7594 CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N Z961371784 [0,1,0,0,0,0|3,0,0]=4 22 B16R2.317 O=C1C=CC(=O)N(N1)CC2=CC=CC=C2 Z57347465 [0,0,0,1,0,0|3,0,0]=4 23 B16R2.317 O=C1CN(C(=O)CN1)CC2=CC=CC=C2 Z1250888092 [0,0,0,1,0,0|3,0,0]=4 24 B16R2.3989 NC(=O)CN1CC2=C(C=CC=C2)OC1=O Z1509385480 [0,0,0,1,0,0|2,0,0]=3 25 B16R2.3989 O=C(O)CC1CC2=C(C=CC=C2)NC1=O Z1508926265 [0,0,0,1,0,0|3,0,0]=4 26 B16R2.85291 O=C(O)C(CC1=CC=CC=C1)NC2CC2 Z446016014 [0,0,0,1,0,0|2,0,1]=4 27 B16R2.145452 O=C(O)C1NC2=C(C=CC=C2)S(=O)(=O)N1 Z991506620 [0,0,0,1,0,0|3,0,0]=4 28 B14R1.3164 CC(=O)NC(CC1=CN=CN1)C(=O)O Z2792080963 [0,0,0,0,1,0|3,0,0]=4 29 B14R1.3164 CC(=O)NC(CC1=CSC=C1)C(=O)O Z1201004077 [0,0,0,0,1,0|2,0,0]=3 30 B14R1.3164 CC(=O)N[C@@H](CC1=CNC=N1)C(=O)O Z1741970635 [0,0,0,0,1,0|3,0,0]=4 31 B14R1.4513 CC(C)C(CC1=CC=CC=C1)C(=O)O Z756391626 [0,0,0,0,1,0|2,0,1]=4 32 B14R1.4513 CN(C)C(CC1=CC=CC=C1)C(=O)O Z448003214 [0,0,0,0,1,0|3,0,0]=4 33 B14R1.4513 O=C(O)C(CC1=CC=CC=C1)C(=O)O Z56924540 [0,0,0,0,1,0|1,0,0]=2 34 B14R1.4513 O=C([O-])C(NC1=CC=CC=C1)C(=O)[O-] Z2234631216 [0,0,0,0,1,0|2,0,1]=4 35 B14R1.6455 CC(=O)N(CC(=O)N)C1=CC=CC=C1 Z247511056 [0,0,0,0,1,0|3,0,0]=4 36 B14R1.6455 CC(=O)NC(C(=O)O)C1=CC=CC=C1 Z85968834 [0,0,0,0,1,0|1,0,0]=2 37 B14R1.6455 CC(C)NC(C(=O)O)C1=CC=CC=C1 Z446014736 [0,0,0,0,1,0|2,0,1]=4 38 B14R1.6455 NC(=O)NC(C(=O)O)C1=CC=CC=C1 Z223639260 [0,0,0,0,1,0|0,0,0]=1 39 B14R1.6455 O=C(O)CC(C(=O)O)C1=CC=CC=C1 Z104478578 [0,0,0,0,1,0|2,0,0]=3 40 B16R1.3939 CC(=O)N[C@@H](CC(=O)O)CC1=CC=CC=C1 Z3009666977 [0,0,0,0,0,1|1,0,0]=2 41 B16R1.3939 O=C(O)CC(CC(=O)O)CC1=CC=CC=C1 Z2044754428 [0,0,0,0,0,1|2,0,0]=3 42 B16R1.3939 O=C(O)CN(CC(=O)O)CC1=CC=CC=C1 Z1008197822 [0,0,0,0,0,1|3,0,0]=4 43 B16R1.12306 CC(=O)NCC(CC1=CC=CC=C1)C(=O)O Z1445170516 [0,0,0,0,0,1|1,0,0]=2 44 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [2,0,0,0,0,0|1,0,1]=4 46 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [2,0,0,0,0,0|0,0,1]=3 47 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [2,0,0,0,0,0|1,0,1]=4 48 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [2,0,0,0,0,0|0,0,1]=3 49 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [2,0,0,0,0,0|1,0,1]=4 50 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [2,0,0,0,0,0|1,0,1]=4 51 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [2,0,0,0,0,0|1,0,1]=4 52 B15R1.966 O=C(CCl)NC(CO)CC1=CC=CC=C1 Z1117864722 [1,1,0,0,0,0|1,0,1]=4 53 B15R1.966 O=C(CCl)N[C@H](CO)CC1=CC=CC=C1 Z1946914707 [1,1,0,0,0,0|1,0,1]=4 54 B15R1.1308 CCNC(CC1=CC=CC=C1)C(=O)OC Z3045544984 [1,1,0,0,0,0|1,0,1]=4 55 B15R1.3922 C=CCNC(CC1=CC=CC=C1)C(=O)O Z979425194 [1,1,0,0,0,0|1,0,0]=3 56 B15R1.3922 NCCCC(CC1=CC=CC=C1)C(=O)O Z1836338786 [1,1,0,0,0,0|1,0,1]=4 57 B15R1.5904 CS(=O)(=O)C(CC1=CC=CC=C1)C(=O)O Z513606802 [0,1,0,0,1,0|2,0,0]=4 58 B15R1.8148 O=C(O)C(CC1=C(C=CC=C1)Br)C(=O)O Z1509643579 [0,1,0,0,1,0|1,0,0]=3 59 B15R1.349 O=C(O)CC(C(=O)O)C1=C(C=CC=C1)F Z1138835941 [0,1,0,0,1,0|2,0,0]=4 60 B15R1.922 CC(=O)OC(C(=O)O)C1=CC=C(C=C1)F Z208192112 [0,1,0,0,1,0|2,0,0]=4 61 B15R1.922 CC1=CC=C(C=C1)C(CC(=O)O)C(=O)O Z1508923866 [0,1,0,0,1,0|2,0,0]=4 62 B15R1.922 O=C(O)CC(C(=O)O)C1=CC=C(C=C1)Cl Z1509470023 [0,1,0,0,1,0|2,0,0]=4 63 B15R1.8317 CC(=O)NC(C(=O)O)C1=CC(=CC=C1)Br Z1147230750 [0,1,0,0,1,0|1,0,0]=3 64 B15R1.11817 C=CC(=O)N[C@H](C(=O)O)C1=CC=CC=C1 Z1723929365 [0,1,0,0,1,0|1,0,0]=3 65 B15R1.11817 CCC(=O)NC(C(=O)O)C1=CC=CC=C1 Z85968873 [0,1,0,0,1,0|1,0,0]=3 66 B17R1.26184 CC(=O)NC(CC(O)C1=CC=CC=C1)C(=O)O Z2693804403 [0,1,0,0,0,1|1,0,0]=3 67 B17R1.26184 NC(=O)C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O Z56886308 [0,1,0,0,0,1|1,0,1]=4 68 B17R1.150581 CC(=O)NC(C)(CCC1=CC=CC=C1)C(=O)O Z1147230573 [0,1,0,0,0,1|1,0,0]=3 69 B17R1.23536 CC(=O)NCC(OC1=CC=C(C=C1)F)C(=O)O Z1603730854 [0,1,0,0,0,1|2,0,0]=4 70 B17R1.23536 O=C(O)CCC(CC1=CC=C(C=C1)Cl)C(=O)O Z1187834936 [0,1,0,0,0,1|2,0,0]=4 71 B17R1.7966 COC(=O)C(CC1=CC=CC=C1)NC(=O)CCl Z147648036 [0,2,0,0,0,0|1,0,0]=3 72 B17R1.23809 CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NN Z56968181 [0,2,0,0,0,0|2,0,0]=4 73 B17R1.5389 CCCC(=O)NC(CC1=CC=CC=C1)C(=O)N Z857687458 [0,2,0,0,0,0|2,0,0]=4 74 B17R1.5389 CCOC(=O)NC(CC1=CC=CC=C1)C(=O)O Z64432592 [0,2,0,0,0,0|1,0,0]=3 75 B17R1.5389 CSCC(=O)NC(CC1=CC=CC=C1)C(=O)O Z85881481 [0,2,0,0,0,0|1,0,0]=3 76 B17R1.7954 C=CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756443974 [0,2,0,0,0,0|1,0,0]=3 77 B17R1.23636 CC(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)O Z2791983544 [0,2,0,0,0,0|1,0,0]=3 78 B17R1.23717 CC(=O)NC(C)(CC1=CC=C(C=C1)Br)C(=O)O Z1954212356 [0,2,0,0,0,0|1,0,0]=3 79 B17R1.6272 COC1=CC(=CC=C1)CC(NC(=O)C)C(=O)O Z733970164 [0,2,0,0,0,0|1,0,0]=3 80 B17R1.76675 CC(=O)NC(CC1=C(C=CC=C1F)Cl)C(=O)O Z1201004125 [0,2,0,0,0,0|1,0,0]=3 81 B17R1.183370 CCN(C(=O)C)C(CC1=CC=CC=C1)C(=O)O Z1147231934 [0,2,0,0,0,0|1,0,0]=3 82 B15R2.31 O=C1COCC(N1)CC2=CC=CC=C2 Z1509178975 [1,0,0,1,0,0|1,0,1]=4 83 B15R2.325 O=C1CC(C(=O)N1)CC2=CC=CC=C2 Z1227757295 [1,0,0,1,0,0|1,0,0]=3 84 B15R2.325 O=C1CC(C(=O)N1)CC2=CC=NC=C2 Z1227757326 [1,0,0,1,0,0|2,0,0]=4 85 B15R2.325 O=C1CC(C(=O)N1)CC2=CN=CC=C2 Z1227757416 [1,0,0,1,0,0|2,0,0]=4 86 B15R2.325 O=C1NC(=O)C(N1)CC2=CC=CC=C2 Z56862344 [1,0,0,1,0,0|0,0,0]=2 87 B15R2.325 O=C1[N-]C(=O)C(S1)CC2=CC=CC=C2 Z85922871 [1,0,0,1,0,0|1,0,1]=4 88 B15R2.629 O=C(O)CC1CC2=C(C1=O)C=CC=C2 Z1262511059 [1,0,0,1,0,0|2,0,0]=4 89 B15R2.63 O=C(O)C1CCNC1C2=CC=CC=C2 Z2234185678 [1,0,0,1,0,0|1,0,1]=4 90 B15R2.63 O=C(O)[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z2306980862 [1,0,0,1,0,0|1,0,1]=4 91 B15R2.63 O=C(O)[C@@H]1NCC[C@H]1C2=CC=CC=C2 Z2568676758 [1,0,0,1,0,0|1,0,1]=4 92 B15R2.1237 O=C(O)C1CCNC2=C(C1)C=CC=C2 Z3768005323 [1,0,0,1,0,0|1,0,1]=4 93 B15R2.14951 CC(=O)C1CC2=C(C=CC=C2)C(=O)O1 Z203244234 [1,0,0,1,0,0|2,0,0]=4 94 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 Z57035552 [1,0,0,1,0,0|0,0,2]=4 95 B15R2.14951 O=C1CC(CC2=C1C=CC=C2)C(=O)O Z1198159601 [1,0,0,1,0,0|1,0,0]=3 96 B15R2.14951 O=C1OC(CC2=C1C=CC=C2)C(=O)O Z56347259 [1,0,0,1,0,0|1,0,0]=3 97 B15R2.355 O=C1CNC(=O)N1CC2=CC=CC=C2 Z18358103 [0,0,0,1,1,0|2,0,0]=4 98 B15R2.984 NC(=O)C1=CC2=C(C=CC=C2)OC1=O Z33546922 [0,0,0,1,1,0|0,0,2]=4 99 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O Z223437776 [0,0,0,1,1,0|0,0,2]=4 100 B15R2.984 O=C(O)C1CC2=C(C=CC=C2)OC1=O Z1262517565 [0,0,0,1,1,0|1,0,0]=3 101 B15R2.984 O=C([O-])C1CC2=C(C=CC=C2)NC1=O Z3268488599 [0,0,0,1,1,0|0,0,1]=3 102 B15R2.988 O=C1C=C(C2=C(N1)C=CC=C2)C(=O)O Z56795730 [0,0,0,1,1,0|1,0,1]=4 103 B15R2.988 O=C1CC(C2=C(N1)C=CC=C2)C(=O)O Z221425988 [0,0,0,1,1,0|1,0,0]=3 104 B15R2.988 O=C1CC(C2=C(N1)N=CC=C2)C(=O)O Z3085641309 [0,0,0,1,1,0|2,0,0]=4 105 B15R2.993 CC(=O)NC1C(=O)NC2=C1C=CC=C2 Z117766634 [0,0,0,1,1,0|2,0,0]=4 106 B15R2.993 NC(=O)CN1C(=O)OC2=C1C=CC=C2 Z15400255 [0,0,0,1,1,0|2,0,0]=4 107 B15R2.9435 O=C1CC(C1)(C(=O)O)C2=CC=CC=C2 Z1190318893 [0,0,0,1,1,0|2,0,0]=4 108 B17R2.3221 O=C1C[C@@H](C[C@@H](N1)C2=CC=CC=C2)C(=O)O Z3214553888 [0,0,0,1,0,1|1,0,0]=3 109 B17R2.374606 O=C(O)CC1(CCC2=C1C=CC=C2)C(=O)O Z2049902374 [0,0,0,1,0,1|2,0,0]=4 110 B17R2.45129 CC(=O)N1CC(OC2=C1C=CC=C2)C(=O)O Z90663756 [0,0,0,1,0,1|2,0,0]=4 111 B17R2.45503 O=C(O)CN1C2=C(C=CC=C2)CC1C(=O)O Z4826342060 [0,0,0,1,0,1|1,0,0]=3 112 B17R2.19368 CN1C(=O)CC(C1C2=CC=CC=C2)C(=O)O Z1182366317 [0,1,0,1,0,0|1,0,0]=3 113 B17R2.19368 CN1C(=O)C[C@@H]([C@H]1C2=CC=CC=C2)C(=O)O Z2568682178 [0,1,0,1,0,0|1,0,0]=3 114 B17R2.19368 CN1C(=O)C[C@@H]([C@H]1C2=CN=CC=C2)C(=O)O Z2306740458 [0,1,0,1,0,0|2,0,0]=4 115 B17R2.19368 CN1C(=O)C[C@H]([C@@H]1C2=CN=CC=C2)C(=O)O Z1695772706 [0,1,0,1,0,0|2,0,0]=4 116 B17R2.57536 C=CC(=O)NC1CC2=C(C=CC=C2)NC1=O Z2738283951 [0,1,0,1,0,0|2,0,0]=4 117 B17R2.45126 CC(=O)N1CC2=C(C=CC=C2)CC1C(=O)O Z56921777 [0,1,0,1,0,0|1,0,0]=3 118 B13R1.713 CC(=O)NC(CO)C1=CC=CC=C1 Z1097082934 [1,0,0,0,1,0|1,0,1]=4 119 B13R1.405 CCNC(C(=O)O)C1=CC=CC=C1 Z1849006528 [1,0,0,0,1,0|1,0,1]=4 120 B13R1.3571 O=C(O)C(CC1=CC=CS1)C(=O)O Z1269201081 [0,0,0,0,2,0|2,0,0]=4 121 B13R1.3571 O=C(O)C(CC1=CSC=C1)C(=O)O Z1269224459 [0,0,0,0,2,0|2,0,0]=4 122 B13R1.1111 O=C(O)C(C(=O)O)C1=CC=CC=C1 Z277558324 [0,0,0,0,2,0|1,0,0]=3 123 B15R1.3569 CC(=O)C(SCC1=CC=CC=C1)C(=O)C Z1650193624 [0,0,0,0,1,1|2,0,0]=4 124 B15R1.9083 CC(=O)NC(CC(=O)O)C1=CC=CC=C1 Z56860295 [0,0,0,0,1,1|1,0,0]=3 125 B15R1.9083 NC(=O)NC(CC(=O)O)C1=CC=CC=C1 Z221523586 [0,0,0,0,1,1|0,0,0]=2 126 B15R1.9083 O=C(O)CC(CC(=O)O)C1=CC=CC=C1 Z1508914976 [0,0,0,0,1,1|2,0,0]=4 127 B15R1.12293 CC(=O)NCC(C(=O)O)C1=CC=CC=C1 Z1033088462 [0,0,0,0,1,1|1,0,0]=3 128 B17R1.16148 CC(=O)NC(CCC1=CC=CC=C1)CC(=O)O Z2724109198 [0,0,0,0,0,2|1,0,0]=3