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[0,0,0,1,0,0|3,0,0]=4 26 B16R2.2905 CN1C[C@@H]([C@H](C1)C(=O)O)C2=CC=CC=C2 Z2238897913 [0,0,0,1,0,0|3,0,0]=4 27 B16R2.3989 NC(=O)CN1CC2=C(C=CC=C2)OC1=O Z1509385480 [0,0,0,1,0,0|2,0,0]=3 28 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)NC1=O Z382686514 [0,0,0,1,0,0|1,0,2]=4 29 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)OC1=O Z1508918263 [0,0,0,1,0,0|0,0,2]=3 30 B16R2.3989 O=C(O)CC1CC2=C(C=CC=C2)NC1=O Z1508926265 [0,0,0,1,0,0|1,0,0]=2 31 B16R2.3989 O=C(O)CC1OC2=C(C=CC=C2)NC1=O Z57983005 [0,0,0,1,0,0|2,0,0]=3 32 B16R2.3989 O=C(O)CC1SC2=C(C=CC=C2)NC1=O Z56968775 [0,0,0,1,0,0|2,0,0]=3 33 B16R2.145452 CC1(CC(CC2=C1C=CC=C2)C(=O)O)C Z1508944282 [0,0,0,1,0,0|2,0,1]=4 34 B16R2.145452 O=C(O)C1CS(=O)(=O)C2=C(O1)C=CC=C2 Z969109210 [0,0,0,1,0,0|2,0,1]=4 35 B14R1.3164 CC(=O)NC(CC1=CSC=C1)C(=O)O Z1201004077 [0,0,0,0,1,0|3,0,0]=4 36 B14R1.4513 CC(C)C(CC1=CC=CC=C1)C(=O)O Z756391626 [0,0,0,0,1,0|2,0,1]=4 37 B14R1.4513 CN(C)C(CC1=CC=CC=C1)C(=O)O Z448003214 [0,0,0,0,1,0|3,0,0]=4 38 B14R1.4513 O=C(O)C(CC1=CC=CC=C1)C(=O)O Z56924540 [0,0,0,0,1,0|0,0,0]=1 39 B14R1.4513 O=C([O-])C(NC1=CC=CC=C1)C(=O)[O-] Z2234631216 [0,0,0,0,1,0|1,0,2]=4 40 B14R1.6455 CC(=O)N(CC(=O)N)C1=CC=CC=C1 Z247511056 [0,0,0,0,1,0|3,0,0]=4 41 B14R1.6455 CC(=O)N(CC(=O)O)C1=CC=CC=C1 Z57724160 [0,0,0,0,1,0|2,0,0]=3 42 B14R1.6455 CC(=O)NC(C(=O)O)C1=CC=CC=C1 Z85968834 [0,0,0,0,1,0|2,0,0]=3 43 B14R1.6455 CC(C)C(CC(=O)O)C1=CC=CC=C1 Z337709416 [0,0,0,0,1,0|2,0,1]=4 44 B14R1.6455 CC(C)CC(C(=O)O)C1=CC=CC=C1 Z792377182 [0,0,0,0,1,0|2,0,1]=4 45 B14R1.6455 CN(C)CC(C(=O)O)C1=CC=CC=C1 Z1837073444 [0,0,0,0,1,0|3,0,0]=4 46 B14R1.6455 NC(=O)NC(C(=O)O)C1=CC=CC=C1 Z223639260 [0,0,0,0,1,0|2,0,0]=3 47 B14R1.6455 O=C(O)CC(C(=O)O)C1=CC=CC=C1 Z104478578 [0,0,0,0,1,0|0,0,0]=1 48 B14R1.6455 O=C(O)CC(C1=CC=CC=C1)C(F)F Z1510051007 [0,0,0,0,1,0|2,0,1]=4 49 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 50 B16R1.3939 O=C(O)CC(CC(=O)O)CC1=CC=CC=C1 Z2044754428 [0,0,0,0,0,1|0,0,0]=1 51 B16R1.3939 O=C(O)CN(CC(=O)O)CC1=CC=CC=C1 Z1008197822 [0,0,0,0,0,1|1,0,0]=2 52 B16R1.3939 O=C(O)CN(CC(=O)O)CC1=CN=CC=C1 Z1983100924 [0,0,0,0,0,1|2,0,0]=3 53 B16R1.12227 CC(=O)N(CCC1=CC=CC=C1)CC(=O)O Z1454897452 [0,0,0,0,0,1|2,0,0]=3 54 B16R1.12227 CC(C)C(CC(=O)O)NCC1=CC=CC=C1 Z1860347165 [0,0,0,0,0,1|2,0,1]=4 55 B16R1.12227 CC(C)CC(CCC1=CC=CC=C1)C(=O)O Z1321943371 [0,0,0,0,0,1|2,0,1]=4 56 B16R1.12306 CC(=O)N(CCC(=O)O)CC1=CC=CC=C1 Z224177314 [0,0,0,0,0,1|2,0,0]=3 57 B16R1.12306 CC(=O)N(CCC(=O)O)CC1=NC=CC=C1 Z2792081350 [0,0,0,0,0,1|3,0,0]=4 58 B16R1.12306 CC(=O)NCC(CC1=CC=CC=C1)C(=O)O Z1445170516 [0,0,0,0,0,1|1,0,0]=2 59 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 Z1198148922 [2,0,0,0,0,0|1,0,1]=4 60 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [2,0,0,0,0,0|1,0,1]=4 61 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [2,0,0,0,0,0|1,0,0]=3 62 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [2,0,0,0,0,0|0,0,0]=2 63 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [2,0,0,0,0,0|0,0,1]=3 64 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [2,0,0,0,0,0|1,0,1]=4 65 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [2,0,0,0,0,0|1,0,1]=4 66 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [2,0,0,0,0,0|1,0,1]=4 67 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [2,0,0,0,0,0|1,0,1]=4 68 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [2,0,0,0,0,0|1,0,1]=4 69 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [2,0,0,0,0,0|1,0,0]=3 70 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [2,0,0,0,0,0|2,0,0]=4 71 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [2,0,0,0,0,0|2,0,0]=4 72 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [2,0,0,0,0,0|2,0,0]=4 73 B15R1.1310 C=CCN(CC(=O)O)CC1=CC=CC=C1 Z1459975748 [1,1,0,0,0,0|2,0,0]=4 74 B15R1.1295 COCC(CC1=CC=C(C=C1)Cl)C(=O)O Z1627074970 [1,1,0,0,0,0|2,0,0]=4 75 B15R1.3922 C=CCNC(CC1=CC=CC=C1)C(=O)O Z979425194 [1,1,0,0,0,0|1,0,0]=3 76 B15R1.3922 NCCCC(CC1=CC=CC=C1)C(=O)O Z1836338786 [1,1,0,0,0,0|1,0,1]=4 77 B15R1.5904 CS(=O)(=O)C(CC1=CC=CC=C1)C(=O)O Z513606802 [0,1,0,0,1,0|1,0,1]=4 78 B15R1.8148 O=C(O)C(CC1=C(C=CC=C1)Br)C(=O)O Z1509643579 [0,1,0,0,1,0|0,0,0]=2 79 B15R1.349 O=C(O)CC(C(=O)O)C1=C(C=CC=C1)F Z1138835941 [0,1,0,0,1,0|0,0,0]=2 80 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 81 B15R1.922 CC1=CC=C(C=C1)C(CC(=O)O)C(=O)O Z1508923866 [0,1,0,0,1,0|0,0,0]=2 82 B15R1.922 O=C(O)CC(C(=O)O)C1=CC=C(C=C1)Cl Z1509470023 [0,1,0,0,1,0|0,0,0]=2 83 B15R1.3197 CCC(=O)N(CC(=O)O)C1=CC=CC=C1 Z594129578 [0,1,0,0,1,0|2,0,0]=4 84 B15R1.5903 CS(=O)(=O)CC(C(=O)O)C1=CC=CC=C1 Z1235997118 [0,1,0,0,1,0|1,0,1]=4 85 B15R1.8317 CC(=O)NC(C(=O)O)C1=CC(=CC=C1)Br Z1147230750 [0,1,0,0,1,0|2,0,0]=4 86 B15R1.11817 C=CC(=O)N[C@H](C(=O)O)C1=CC=CC=C1 Z1723929365 [0,1,0,0,1,0|2,0,0]=4 87 B15R1.11817 CCC(=O)NC(C(=O)O)C1=CC=CC=C1 Z85968873 [0,1,0,0,1,0|2,0,0]=4 88 B17R1.23826 COC(=O)CN(CCC1=CC=CC=C1)C(=O)C Z1537775006 [0,1,0,0,0,1|2,0,0]=4 89 B17R1.26184 CC(=O)NC(CC(O)C1=CC=CC=C1)C(=O)O Z2693804403 [0,1,0,0,0,1|2,0,0]=4 90 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 91 B17R1.150581 CC(=O)NC(C)(CCC1=CC=CC=C1)C(=O)O Z1147230573 [0,1,0,0,0,1|2,0,0]=4 92 B17R1.23536 CC(=O)N(CCC(=O)O)CC1=CC=C(C=C1)Cl Z1713732725 [0,1,0,0,0,1|2,0,0]=4 93 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 94 B17R1.23536 O=C(O)CCC(CC1=CC=C(C=C1)Cl)C(=O)O Z1187834936 [0,1,0,0,0,1|0,0,0]=2 95 B17R1.6931 CCC(=O)N(CC(=O)O)CC1=CC(=CC=C1)Br Z1713715030 [0,2,0,0,0,0|2,0,0]=4 96 B17R1.7966 COC(=O)C(CC1=CC=CC=C1)NC(=O)CCl Z147648036 [0,2,0,0,0,0|2,0,0]=4 97 B17R1.18492 COCC(=O)N(CC(=O)O)CC1=CC=CC=C1 Z1444358370 [0,2,0,0,0,0|1,0,0]=3 98 B17R1.23809 CCC(=O)N(CC(=O)O)CC1=CC=C(C=C1)F Z1713716818 [0,2,0,0,0,0|2,0,0]=4 99 B17R1.5389 CCOC(=O)NC(CC1=CC=CC=C1)C(=O)O Z64432592 [0,2,0,0,0,0|1,0,0]=3 100 B17R1.5389 CSCC(=O)NC(CC1=CC=CC=C1)C(=O)O Z85881481 [0,2,0,0,0,0|1,1,0]=4 101 B17R1.7954 C=CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756443974 [0,2,0,0,0,0|2,0,0]=4 102 B17R1.24974 COC(=O)[C@H](C)N(CC1=CC=CC=C1)C(=O)C Z1558505339 [0,2,0,0,0,0|2,0,0]=4 103 B17R1.23636 CC(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)O Z2791983544 [0,2,0,0,0,0|2,0,0]=4 104 B17R1.23717 CC(=O)NC(C)(CC1=CC=C(C=C1)Br)C(=O)O Z1954212356 [0,2,0,0,0,0|2,0,0]=4 105 B17R1.6272 COC1=CC(=CC=C1)CC(NC(=O)C)C(=O)O Z733970164 [0,2,0,0,0,0|2,0,0]=4 106 B17R1.95704 CC(=O)N(CC1=CC(=CC=C1)F)C(C)C(=O)O Z1713760326 [0,2,0,0,0,0|2,0,0]=4 107 B17R1.14141 CC(=O)N(CC1=C(C=CC=C1)Cl)C(C)C(=O)O Z1713758426 [0,2,0,0,0,0|2,0,0]=4 108 B17R1.76675 CC(=O)NC(CC1=C(C=CC=C1F)Cl)C(=O)O Z1201004125 [0,2,0,0,0,0|2,0,0]=4 109 B17R1.183370 CCN(C(=O)C)C(CC1=CC=CC=C1)C(=O)O Z1147231934 [0,2,0,0,0,0|2,0,0]=4 110 B15R2.325 O=C1CC(=O)N(C1)CC2=CC=CC=C2 Z1331290820 [1,0,0,1,0,0|2,0,0]=4 111 B15R2.325 O=C1CC(C(=O)N1)CC2=CC=CC=C2 Z1227757295 [1,0,0,1,0,0|1,0,0]=3 112 B15R2.325 O=C1CC(C(=O)N1)CC2=CC=NC=C2 Z1227757326 [1,0,0,1,0,0|2,0,0]=4 113 B15R2.325 O=C1CC(C(=O)N1)CC2=CN=CC=C2 Z1227757416 [1,0,0,1,0,0|2,0,0]=4 114 B15R2.325 O=C1NC(=O)C(N1)CC2=CC=CC=C2 Z56862344 [1,0,0,1,0,0|2,0,0]=4 115 B15R2.325 O=C1[N-]C(=O)C(S1)CC2=CC=CC=C2 Z85922871 [1,0,0,1,0,0|2,0,0]=4 116 B15R2.629 O=C(O)CC1CC2=C(C1=O)C=CC=C2 Z1262511059 [1,0,0,1,0,0|0,0,0]=2 117 B15R2.629 O=C(O)CN1CC2=C(C1=O)C=CC=C2 Z442320966 [1,0,0,1,0,0|1,0,0]=3 118 B15R2.629 O=C(O)CN1NC2=C(C1=O)C=CC=C2 Z1255358384 [1,0,0,1,0,0|2,0,0]=4 119 B15R2.629 O=C(O)CN1SC2=C(C1=O)C=CC=C2 Z1269175881 [1,0,0,1,0,0|2,0,0]=4 120 B15R2.1241 O=C(O)[C@@H]1CC[C@@H]1CC2=CC=CC=C2 Z3690696002 [1,0,0,1,0,0|1,0,1]=4 121 B15R2.1668 O=C(O)CC1CCC2=C(C1)C=CC=C2 Z489292414 [1,0,0,1,0,0|1,0,1]=4 122 B15R2.1668 O=C(O)CC1COC2=C(O1)C=CC=C2 Z1198164044 [1,0,0,1,0,0|1,0,1]=4 123 B15R2.63 O=C(O)C1CCCC1C2=CC=CC=C2 Z1255486781 [1,0,0,1,0,0|1,0,1]=4 124 B15R2.63 O=C(O)C1CCNC1C2=CC=CC=C2 Z2234185678 [1,0,0,1,0,0|1,0,1]=4 125 B15R2.63 O=C(O)[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z2306980862 [1,0,0,1,0,0|1,0,1]=4 126 B15R2.63 O=C(O)[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2309893016 [1,0,0,1,0,0|0,0,1]=3 127 B15R2.63 O=C(O)[C@@H]1CCO[C@H]1C2=CC=NC=C2 Z2311280998 [1,0,0,1,0,0|1,0,1]=4 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[0,0,0,1,1,0|0,0,2]=4 141 B15R2.984 O=C(O)C1CC2=C(C=CC=C2)OC1=O Z1262517565 [0,0,0,1,1,0|0,0,0]=2 142 B15R2.984 O=C([O-])C1CC2=C(C=CC=C2)NC1=O Z3268488599 [0,0,0,1,1,0|1,0,1]=4 143 B15R2.988 O=C1CC(C2=C(N1)C=CC=C2)C(=O)O Z221425988 [0,0,0,1,1,0|1,0,0]=3 144 B15R2.988 O=C1CC(C2=C(N1)N=CC=C2)C(=O)O Z3085641309 [0,0,0,1,1,0|2,0,0]=4 145 B15R2.993 CC1=C(C2=C(O1)C=CC=C2)CC(=O)O Z1262521044 [0,0,0,1,1,0|1,0,1]=4 146 B15R2.993 NC(=O)CN1C(=O)OC2=C1C=CC=C2 Z15400255 [0,0,0,1,1,0|2,0,0]=4 147 B15R2.993 O=C(O)CC1C(=O)NC2=C1C=CC=C2 Z336080924 [0,0,0,1,1,0|1,0,0]=3 148 B15R2.993 O=C(O)CN1C(=O)CC2=C1C=CC=C2 Z234897271 [0,0,0,1,1,0|2,0,0]=4 149 B15R2.993 O=C(O)CN1C(=O)NC2=C1C=CC=C2 Z431996746 [0,0,0,1,1,0|2,0,0]=4 150 B15R2.993 O=C(O)CN1C(=O)OC2=C1C=CC=C2 Z56974908 [0,0,0,1,1,0|1,0,0]=3 151 B15R2.9435 O=C1CC(C1)(C(=O)O)C2=CC=CC=C2 Z1190318893 [0,0,0,1,1,0|1,0,0]=3 152 B15R2.160873 O=C(O)C1CS(=O)(=O)C2=C1C=CC=C2 Z425994506 [0,0,0,1,1,0|1,0,1]=4 153 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]=3 154 B17R2.5013 O=C(O)CC1CSC2=C(C=CC=C2)NC1=O Z2049903093 [0,0,0,1,0,1|1,0,0]=3 155 B17R2.45199 CC(=O)N1CCC2=C(C1C(=O)O)C=CC=C2 Z852306542 [0,0,0,1,0,1|2,0,0]=4 156 B17R2.374606 O=C(O)CC1(CCC2=C1C=CC=C2)C(=O)O Z2049902374 [0,0,0,1,0,1|0,0,0]=2 157 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)OC1=O Z57042007 [0,0,0,1,0,1|1,0,1]=4 158 B17R2.45129 CC(=O)N1CC(OC2=C1C=CC=C2)C(=O)O Z90663756 [0,0,0,1,0,1|2,0,0]=4 159 B17R2.45503 O=C(O)CC1=C(NC2=C1C=CC=C2)C(=O)O Z57697423 [0,0,0,1,0,1|1,0,1]=4 160 B17R2.45503 O=C(O)CN1C(=CC2=C1C=CC=C2)C(=O)O Z1508928897 [0,0,0,1,0,1|0,0,2]=4 161 B17R2.45503 O=C(O)CN1C2=C(C=CC=C2)CC1C(=O)O Z4826342060 [0,0,0,1,0,1|0,0,0]=2 162 B17R2.19368 CN1C(=O)CC(C1C2=CC=CC=C2)C(=O)O Z1182366317 [0,1,0,1,0,0|1,0,0]=3 163 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]=3 164 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]=4 165 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]=4 166 B17R2.38552 O=C(O)CC1SC2=C(C=C(C=C2)Cl)NC1=O Z199507054 [0,1,0,1,0,0|2,0,0]=4 167 B17R2.45126 CC(=O)N1CC2=C(C=CC=C2)CC1C(=O)O Z56921777 [0,1,0,1,0,0|2,0,0]=4 168 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 Z1262511239 [1,0,0,0,1,0|1,0,0]=3 169 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 Z352782018 [1,0,0,0,1,0|1,0,1]=4 170 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 Z1255487817 [1,0,0,0,1,0|1,0,1]=4 171 B13R1.405 CCCC(C(=O)O)C1=CC=CC=C1 Z56896771 [1,0,0,0,1,0|1,0,1]=4 172 B13R1.405 CSCC(C(=O)O)C1=CC=CC=C1 Z1080732130 [1,0,0,0,1,0|2,0,0]=4 173 B13R1.405 O=C([O-])C(CCO)C1=CC=CC=C1 Z2343512022 [1,0,0,0,1,0|0,0,2]=4 174 B13R1.3571 O=C(O)C(CC1=CC=CS1)C(=O)O Z1269201081 [0,0,0,0,2,0|1,0,0]=3 175 B13R1.3571 O=C(O)C(CC1=CSC=C1)C(=O)O Z1269224459 [0,0,0,0,2,0|1,0,0]=3 176 B13R1.1111 O=C(O)C(C(=O)O)C1=CC=CC=C1 Z277558324 [0,0,0,0,2,0|0,0,0]=2 177 B15R1.3569 CC(=O)C(SCC1=CC=CC=C1)C(=O)C Z1650193624 [0,0,0,0,1,1|2,0,0]=4 178 B15R1.9083 CC(=O)NC(CC(=O)O)C1=CC=CC=C1 Z56860295 [0,0,0,0,1,1|1,0,0]=3 179 B15R1.9083 NC(=O)NC(CC(=O)O)C1=CC=CC=C1 Z221523586 [0,0,0,0,1,1|1,0,0]=3 180 B15R1.9083 O=C(O)CC(CC(=O)O)C1=CC=CC=C1 Z1508914976 [0,0,0,0,1,1|0,0,0]=2 181 B15R1.9083 O=C(O)CN(CC(=O)O)C1=CC=CC=C1 Z1665470557 [0,0,0,0,1,1|1,0,0]=3 182 B15R1.12293 CC(=O)NCC(C(=O)O)C1=CC=CC=C1 Z1033088462 [0,0,0,0,1,1|1,0,0]=3 183 B17R1.16148 CC(=O)NC(CCC1=CC=CC=C1)CC(=O)O Z2724109198 [0,0,0,0,0,2|1,0,0]=3 184 B17R1.16300 CC(=CCSC(CC1=CC=CC=C1)C(=O)O)C Z513608464 [0,0,0,0,0,2|2,0,0]=4