0 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [0,0,0,0,0,0|3,1,0]=4 5 B7R0.9 CC(C)(C)SC(=N)N Z3243719680 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.9 CC(N)CC(C)(C)C Z1171199384 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,0,0,0,0,0|2,1,0]=3 13 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,0,0,0,0,0|0,0,0]=0 15 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.2 CC(=CC(=O)N)C Z33546934 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.2 CC(=O)CC(C)N Z57329385 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.2 CC(C)CC(=O)N Z33546511 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.2 CC(C)CC(=O)O Z104474910 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.2 CC(C)NC(=O)N Z56887677 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.2 CC(N)CC(=O)N Z594220690 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.2 CC(N)CC(=O)O Z147647144 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 CN(C)CC(=O)N Z54750057 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.2 CN(C)CC(=O)O Z235580496 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.2 CS(=O)CC(=O)N Z1203581973 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.5 CNCC(C)(C)C Z992717054 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.5 C[N+](C)(C)CCBr Z1269136668 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.5 C[N+](C)(C)CCF Z1255450613 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.5 C[N+](C)(C)CCO Z2758800560 [1,0,0,0,0,0|0,0,2]=3 34 B8R0.24 C=CC(=O)NC(C)(C)C Z440633548 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.24 CC(C)(C)NC(=O)CCl Z56853749 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.24 CC(C)(C)NC(=O)CN Z94601176 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.24 CC(C)(C)NC(=O)CO Z431952026 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.24 CC(C)(C)OC(=O)CCl Z56915921 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.24 CC(C)(C)OC(=O)CN Z1268152400 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.24 CNC(=O)CC(C)(C)N Z1457934971 [0,1,0,0,0,0|3,0,0]=4 42 B8R0.24 CNC(=O)OC(C)(C)C Z558479240 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,1,0,0,0,0|1,1,1]=4 57 B8R0.33 CC(C)(C)CS(=O)(=O)N Z954606228 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,1,0,0,0,0|1,0,1]=3 62 B8R0.34 CC(C)(CO)CC(=N)N Z4074619777 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,1,0,0,0,0|1,0,1]=3 67 B8R1.42 CC1(CC1)CC(=N)N Z3804798505 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.77 CC1(CC1C(=N)N)C Z1203638454 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,0,0,1,0,0|1,0,1]=3 73 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,0,0,0,1,0|3,0,0]=4 74 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,0,0,0,1,0|3,0,0]=4 75 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,0,0,0,1,0|3,0,0]=4 76 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,0,0,0,1,0|2,0,0]=3 77 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,0,0,0,1,0|2,1,0]=4 78 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,0,0,0,1,0|2,0,1]=4 79 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,0,0,0,1,0|3,0,0]=4 80 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,0,0,0,1,0|2,0,1]=4 81 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,0,0,0,0,1|2,0,0]=3 82 B8R0.29 CC(C)(C)C#CC(=O)O Z1205493807 [0,0,0,0,0,1|1,0,2]=4 83 B8R0.29 CC(C)(C)CCC(=N)N Z3481620976 [0,0,0,0,0,1|3,0,0]=4 84 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,0,0,0,0,1|1,0,1]=3 85 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [0,0,0,0,0,1|2,0,0]=3 86 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [0,0,0,0,0,1|2,0,0]=3 87 B8R0.29 CC(C)(C)OCC(=N)N Z1718361941 [0,0,0,0,0,1|3,0,0]=4 88 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,0,0,0,0,1|1,0,1]=3 89 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,0,0,0,0,1|1,0,1]=3 90 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,0,0,0,0,1|2,0,1]=4 91 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [0,0,0,0,0,1|3,0,0]=4 92 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,0,0,0,0,1|2,0,0]=3 93 B8R0.29 CS(=O)(=O)NCC(=O)[O-] Z336481574 [0,0,0,0,0,1|3,0,0]=4 94 B5R0.1 CC(C)NC=O Z1201617634 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|1,0,1]=4 97 B5R0.1 CNCC(=O)N Z415678308 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|0,0,2]=4 99 B5R0.1 COCC(=O)N Z33546778 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,0,1]=4 101 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.4 CC(C)(C)CN Z291234094 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.4 CC(C)(C)CO Z397587176 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.2 CCN(C)CC(=O)O Z1459897022 [1,1,0,0,0,0|0,0,2]=4 107 B7R0.2 CNC(C)CC(=O)N Z3070230004 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.2 COC(C)CC(=O)O Z431536426 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,1,0,0,0,0|1,0,1]=4 111 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,1,0,0,0,0|1,0,1]=4 112 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,1,0,0,0,0|1,0,1]=4 115 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,1,0,0,0,0|2,0,0]=4 117 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [1,1,0,0,0,0|0,0,2]=4 120 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [1,1,0,0,0,0|0,0,2]=4 121 B7R0.8 C=CCNC(C)(C)C Z2583036183 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.11 C=CCC(C)(C)CN Z2211231731 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.11 C=CCC(C)(C)CO Z1255384026 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,1,0,0,1,0|2,0,0]=4 126 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,1,0|1,0,1]=4 127 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,1,0,0,1,0|2,0,0]=4 128 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,1,0|1,0,1]=4 129 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,1,0|1,0,1]=4 130 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,0,0,1,0|2,0,0]=4 131 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,1,0|1,0,1]=4 132 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,1,0,0,1,0|2,0,0]=4 133 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,0,0,1,0|1,0,1]=4 134 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,1,0,0,1,0|2,0,0]=4 135 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,0,0,1,0|1,0,1]=4 136 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,0,0,1,0|1,0,1]=4 137 B9R0.10 CC(C)(C)C(N)CC(=O)O Z1582263789 [0,1,0,0,0,1|1,0,1]=4 138 B9R0.10 CC(CC(=O)O)C(C)(C)C Z352782682 [0,1,0,0,0,1|1,0,1]=4 139 B9R0.21 CNC(=O)CSC(C)(C)C Z32015673 [0,1,0,0,0,1|2,0,0]=4 140 B9R0.21 COC(=O)CNC(C)(C)C Z335284848 [0,1,0,0,0,1|1,0,1]=4 141 B9R0.21 COC(=O)CSC(C)(C)C Z17298529 [0,1,0,0,0,1|1,0,1]=4 142 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,0,1|1,0,1]=4 143 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,1,0,0,0,1|1,0,1]=4 144 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,1,0,0,0,1|1,0,1]=4 145 B9R0.64 CC(C)(CN)OCC(=O)O Z5213301974 [0,1,0,0,0,1|1,0,1]=4 146 B9R0.64 CC(C)(CO)CCC(=O)[O-] Z4539765468 [0,1,0,0,0,1|1,0,0]=3 147 B9R0.64 CCC(C)(C)OCC(=O)O Z362795510 [0,1,0,0,0,1|1,0,1]=4 148 B9R0.25 CNC(=O)C(N)C(C)(C)C Z1486405887 [0,2,0,0,0,0|2,0,0]=4 149 B9R0.25 COC(=O)C(N)C(C)(C)C Z2736427680 [0,2,0,0,0,0|1,0,1]=4 150 B9R0.25 COC(=O)C(O)C(C)(C)C Z965047812 [0,2,0,0,0,0|1,0,1]=4 151 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [0,2,0,0,0,0|1,0,1]=4 152 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,2,0,0,0,0|1,0,1]=4 153 B9R0.72 CC(C)(C)C(CO)C(=O)O Z1205656785 [0,2,0,0,0,0|1,0,1]=4 154 B9R0.72 CSC(C(=O)O)C(C)(C)C Z1645899704 [0,2,0,0,0,0|1,0,1]=4 155 B9R0.80 CC(C)(C)C(C)(C)C(=O)O Z1205493736 [0,2,0,0,0,0|1,0,1]=4 156 B9R0.11 CC(C)(CC(=O)O)C(F)F Z1934556434 [0,2,0,0,0,0|1,0,1]=4 157 B9R0.11 CC(N)C(C)(C)CC(=O)O Z4138536717 [0,2,0,0,0,0|1,0,1]=4 158 B9R0.58 CCCC(C)(C)CC(=O)O Z1198160073 [0,2,0,0,0,0|1,0,1]=4 159 B9R0.58 COCC(C)(C)CC(=O)O Z1434171899 [0,2,0,0,0,0|1,0,1]=4 160 B9R0.58 C[N+](C)(CCO)CC(=O)[O-] Z1198155437 [0,2,0,0,0,0|0,0,0]=2 161 B9R0.63 CC(CN)(CO)CC(=O)O Z1753012993 [0,2,0,0,0,0|1,0,1]=4 162 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.12 CC1CC1C(=O)N Z33546780 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.20 NC(=O)CC1CC1 Z365255854 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.21 CC1(CC1)CC=O Z3247248393 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.23 CC1(CC1C=O)Br Z1513978436 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.23 CC1(CC1C=O)C Z1511745659 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.23 CC1(OC1C=O)C Z1511743636 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,0,0,1,1,0|2,0,0]=4 179 B7R1.17 CC1(CNC1=O)C Z425427928 [0,0,0,1,1,0|2,0,0]=4 180 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,1,1,0|2,0,0]=4 181 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,1,1,0|2,0,0]=4 182 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,1,0|1,0,1]=4 183 B9R1.10 CC1(CCC(=O)NC1)C Z1203731224 [0,0,0,1,0,1|2,0,0]=4 184 B9R1.10 CC1(CNC(=O)CO1)C Z1509200706 [0,0,0,1,0,1|2,0,0]=4 185 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,0,0,1,0,1|1,0,1]=4 186 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.113 CC1(CC1)CC(=O)CCl Z2418118063 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.185 CC1(CC1C(=O)CCl)C Z1889939223 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.185 CCC(=O)C1CC1(C)C Z1198323211 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.111 CC1(CC1)C(N)C(=O)O Z2940229290 [0,1,0,1,0,0|1,0,1]=4 191 B9R1.138 CC1(CNC(=O)C1N)C Z1203653557 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.138 CC1(CNC(=O)C1O)C Z1203733112 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.138 CC1(COC(=O)C1N)C Z2092370679 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.138 CC1(COC(=O)[C@@H]1O)C Z1065885480 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.125 CC1(COC(=O)C1)CN Z4869170774 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.125 CCC1(CNC(=O)C1)C Z1203748294 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,1,0,1,0,0|1,0,1]=4 201 B9R1.128 NCC1(CC1)CC(=O)N Z2335647091 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.128 NCC1(CC1)CC(=O)O Z2310723116 [0,1,0,1,0,0|1,0,1]=4 203 B9R1.128 O=C(O)CC1(CC1)CO Z1205656498 [0,1,0,1,0,0|1,0,1]=4 204 B9R1.128 O=C(O)CC1(CC1)CS Z1205493686 [0,1,0,1,0,0|1,0,1]=4 205 B9R2.139 O=C1CC2(CC2)CN1 Z1837069711 [0,0,0,2,0,0|2,0,0]=4 206 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,1,0|2,0,0]=4 207 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,1,0|1,0,1]=4 208 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,0,0,1,0|2,0,0]=4 209 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,0,1|1,0,1]=4 210 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,0,0,0,0,1|2,0,0]=4 211 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,0,0,0,0,1|2,0,0]=4 212 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,0,0,0,1|1,0,1]=4 213 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,0,0,0,1|1,0,1]=4 214 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,0,0,0,1|1,0,1]=4 215 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,0,0,0,0,1|1,0,1]=4 216 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,0,1|0,0,2]=4 217 B9R0.56 CC(=O)OCC[N+](C)(C)C Z600425176 [0,0,0,0,0,2|1,0,0]=3 218 B9R0.56 CC(C)(C)CC#CC(=O)O Z1205495625 [0,0,0,0,0,2|1,0,1]=4 219 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [0,0,0,0,0,2|1,0,1]=4 220 B9R0.56 CC(C)(C)CNCC(=O)O Z2526356733 [0,0,0,0,0,2|1,0,1]=4 221 B9R0.56 CC(C)(C)NCCC(=O)N Z382711920 [0,0,0,0,0,2|2,0,0]=4 222 B9R0.56 CC(C)(C)NCCC(=O)O Z235348197 [0,0,0,0,0,2|1,0,1]=4 223 B9R0.56 C[N+](C)(C)CCOC(=O)N Z1255415481 [0,0,0,0,0,2|1,0,0]=3 224 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] Z1198155653 [0,0,0,0,0,2|0,0,0]=2