0 B9R0.76 CCC(C)(C(=O)N)C(=O)O Z1203588411 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.76 CCC(C)(C(=O)O)C(=O)O Z1205493706 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.76 CCC(C)(C(=O)O)C(F)F Z1322541672 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.76 CCC(N)(C(=O)N)C(C)C Z727616020 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.159 CCC(CC)(C(=O)O)C(=O)O Z56922104 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.291 CC1(CCNC1=O)C(=O)O Z2034558836 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.291 CC1OCCC1(C)C(=O)O Z1643426568 [0,0,0,1,0,0|1,0,2]=4 25 B10R1.291 O=C(O)[C@@]1(CNC[C@H]1O)O Z5064709371 [0,0,0,1,0,0|1,0,2]=4 26 B10R1.364 O=C(O)C1(CCC1)C(=O)O Z1205493599 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,0,0,1,0,0|2,0,1]=4 28 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Z1262524919 [0,0,0,0,0,1|3,0,0]=4 29 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.15 CCC(CC)C(=O)N Z365255920 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.15 CCC(NC)C(=O)O Z818727142 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.15 CCC(OC)C(=O)O Z449367058 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.15 CCC(SC)C(=O)O Z732206700 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.15 CNC(CN)C(=O)O Z1982493964 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.15 COC(CN)C(=O)O Z1603778808 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [2,0,0,0,0,0|0,0,1]=3 48 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [2,0,0,0,0,0|0,0,0]=2 62 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.13 COC(C)(C)C(=O)O Z803492148 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [2,0,0,0,0,0|2,0,0]=4 65 B9R0.29 CCC(C(=O)O)C(=O)OC Z1205494591 [1,1,0,0,0,0|0,0,0]=2 66 B9R0.29 COC(=O)C(OC)C(=O)O Z1205494676 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.33 CCSC(C(=O)O)C(C)C Z332377408 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.33 CN(C)C(CCO)C(=O)O Z5134019755 [1,1,0,0,0,0|2,0,0]=4 72 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [1,1,0,0,0,0|2,0,0]=4 73 B9R0.54 CC(C)C(C(=O)O)C(=O)O Z1201617379 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.54 CC(C)C(C(=O)O)C(C)N Z2357417371 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.54 CC(C)C(C(=O)O)N(C)C Z1259273255 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C Z1198175490 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C Z1205495496 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.69 CCC(C)(NC)C(=O)OC Z4704832519 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.69 CCC(N)(CC)C(=O)OC Z477335952 [1,1,0,0,0,0|1,0,1]=4 80 B9R0.74 CCC(C)(COC)C(=O)O Z1627075139 [1,1,0,0,0,0|1,0,1]=4 81 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.78 CCC(CC)(CC)C(=O)O Z995181774 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.78 CCC(CC)(CO)C(=O)O Z1205493947 [1,1,0,0,0,0|0,0,1]=3 85 B9R0.78 CCC(CC)(NC)C(=O)O Z1642061042 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.28 CNC(=O)C(C)(C)C(=O)O Z2446540642 [1,1,0,0,0,0|1,0,0]=3 87 B9R0.28 COC(=O)C(C)(C)C(=O)C Z1255485815 [1,1,0,0,0,0|1,0,0]=3 88 B9R0.28 COC(=O)C(C)(C)C(=O)O Z1198232716 [1,1,0,0,0,0|1,0,0]=3 89 B9R0.80 CC(C)(C(=O)O)S(=O)(=O)C Z991513538 [1,1,0,0,0,0|2,0,0]=4 90 B11R0.427 CC(=O)NC(C)(C(=O)O)C(C)C Z1147230513 [0,1,0,0,0,1|1,0,0]=3 91 B11R0.266 CCC(CC)(C(=O)C)C(=O)OC Z1222424782 [0,2,0,0,0,0|1,0,0]=3 92 B9R1.27 CCN1C(=O)CNC1=O Z54530685 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,0,0,1,0,0|0,0,2]=4 97 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|0,0,2]=4 106 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [1,0,0,1,0,0|1,0,0]=3 107 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [1,0,0,1,0,0|1,0,1]=4 108 B9R1.168 CC(C)C1(CC1)C(=O)O Z1205498035 [1,0,0,1,0,0|1,0,1]=4 109 B9R1.168 CN(C)C1(CC1)C(=O)O Z1205494515 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.168 NC(=O)C1(CC1)C(=O)O Z951182684 [1,0,0,1,0,0|1,0,0]=3 111 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [1,0,0,1,0,0|1,0,1]=4 112 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [1,0,0,1,0,0|0,0,1]=3 121 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [1,0,0,1,0,0|0,0,2]=4 122 B9R1.165 CC(O)(C(=O)O)C1CC1 Z788000400 [1,0,0,1,0,0|1,0,1]=4 123 B11R1.929 CC(=O)CC1(CCC1)C(=O)O Z1836202432 [0,0,0,1,0,1|1,0,0]=3 124 B11R1.929 O=C(O)CC1(CCC1)C(=O)O Z1262513713 [0,0,0,1,0,1|2,0,0]=4 125 B11R1.520 CC1(CCCNC1=O)C(=O)O Z1262521202 [0,1,0,1,0,0|1,0,0]=3 126 B11R1.520 O=C(O)[C@@]1(CCNC[C@H]1O)O Z4435493440 [0,1,0,1,0,0|0,0,2]=4 127 B11R1.879 CNC(=O)C1(CCC1)C(=O)O Z951182618 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.879 COC(=O)C1(CCC1)C(=O)C Z1333028349 [0,1,0,1,0,0|1,0,0]=3 129 B11R1.581 CC1CC(C1)(C(=O)O)C(=O)O Z1262516283 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.1386 CC1(CCCS1(=O)=O)C(=O)O Z1262525069 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.734 CS(=O)(=O)C1(CCC1)C(=O)O Z991513532 [0,1,0,1,0,0|2,0,0]=4 132 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [1,0,0,0,0,1|1,0,0]=3 133 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [1,0,0,0,0,1|1,0,0]=3 134 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [1,0,0,0,0,1|1,0,0]=3 135 B9R0.39 CCC(CC(=O)O)C(C)C Z608350044 [1,0,0,0,0,1|1,0,1]=4 136 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [1,0,0,0,0,1|1,0,1]=4 137 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [1,0,0,0,0,1|1,0,0]=3 138 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [1,0,0,0,0,1|1,0,1]=4 139 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [1,0,0,0,0,1|2,0,0]=4 140 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [1,0,0,0,0,1|2,0,0]=4 141 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [1,0,0,0,0,1|1,0,0]=3 142 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [1,0,0,0,0,1|1,0,0]=3 143 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [1,0,0,0,0,1|1,0,0]=3 144 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O Z104442530 [0,0,0,0,0,2|2,0,0]=4