0 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,0,0,0,0,0|0,0,0]=0 11 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,0,0,0,0,0|0,0,0]=0 12 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.2 CC(O)CC(C)CN Z1245536559 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,0,0,0,0,0|0,0,0]=1 22 B7R0.2 CCC(C)CC(C)N Z2472857681 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.2 CCC(C)NC(=O)N Z56979270 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.2 CCC(C)NC(=S)N Z56907642 [1,0,0,0,0,0|2,1,0]=4 25 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.2 CCN(C)CC(=O)O Z1459897022 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.2 CNC(=O)CC(=O)O Z963467722 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.2 CNC(C)CC(=O)N Z3070230004 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.2 COC(C)CC(=O)O Z431536426 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.2 NCC(O)CC(=O)O Z1255390571 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,0,0,0,0|0,0,2]=3 37 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,0,0,0,0|0,0,2]=3 38 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,0,0,0,0|0,0,0]=1 41 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,0,0,0,0|0,0,0]=1 42 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,0,0,0,0|0,0,0]=1 43 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.10 CCC(C)C(N)CO Z1255523308 [1,0,0,0,0,0|0,0,1]=2 58 B7R0.10 CCC(C)C(O)CC Z1138194601 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.10 CCC(C)C(O)CN Z802901690 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,0,0,0,0,0|0,0,0]=1 68 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,0,0,0,0,0|0,0,0]=1 71 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,0,0,0,0,0|0,0,0]=1 72 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,0,0,0,0,0|1,0,0]=2 79 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,1,0,0,0,0|0,0,0]=1 80 B9R0.6 CNCC(C)N(C)C(=O)C Z5023958822 [0,1,0,0,0,0|3,0,0]=4 81 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [0,1,0,0,0,0|1,0,0]=2 82 B9R0.25 CCC(C)C(C)S(=O)(=O)N Z954606834 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.25 CCC(C)C(N)C(F)(F)F Z1874937363 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.27 C=CC(C)C(N)C(=O)OC Z1592025232 [0,1,0,0,0,0|0,0,2]=3 85 B9R0.27 CCC(=O)C(C)C(=O)OC Z839827744 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.27 CCC(C)C(N)C(=O)OC Z90123616 [0,1,0,0,0,0|0,0,0]=1 87 B9R0.27 CCC(N)C(O)C(=O)OC Z2232973431 [0,1,0,0,0,0|2,0,0]=3 88 B9R0.27 CCC(O)C(C)C(=O)OC Z982132706 [0,1,0,0,0,0|2,0,0]=3 89 B9R0.28 CCC(N)C(C)(C)C(=O)O Z1262517126 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.28 CCC(O)C(F)(F)C(=O)O Z982139396 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.28 CCN(C)C(C)(C)C(=O)O Z1495385228 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.29 CCC(C)C(CC)C(=O)N Z1198155509 [0,1,0,0,0,0|2,0,0]=3 93 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [0,1,0,0,0,0|0,0,0]=1 94 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [0,1,0,0,0,0|2,0,0]=3 95 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,1,0,0,0,0|0,0,0]=1 96 B9R0.32 CCC(C)(O)C(O)C(=O)O Z1205494592 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.41 CCC(CC)C(N)C(=O)O Z1269638502 [0,1,0,0,0,0|0,0,0]=1 98 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,1,0,0,0,0|0,0,0]=1 100 B9R0.79 CC(C)C(N)C(O)C(=O)O Z1203578698 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.3 CC1CCCC(C1N)C Z359419654 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.3 CC1CCCC(C1N)O Z1509035391 [0,0,0,1,0,0|1,0,1]=3 104 B9R1.3 CC1CCNC(=O)C1N Z1203587127 [0,0,0,1,0,0|1,0,0]=2 105 B9R1.3 C[C@@H]1NCCC(=O)[C@H]1C Z4513729412 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.37 CC1NC(=O)C(C1C)C Z1509031333 [0,0,0,1,0,0|2,0,0]=3 107 B9R1.37 CC1OC(C(C1C)N)C Z2683103167 [0,0,0,1,0,0|1,0,1]=3 108 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,0,0,1,0,0|1,0,2]=4 109 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,0,0,1,0,0|0,0,0]=1 111 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [0,0,0,1,0,0|3,0,0]=4 117 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [0,0,0,1,0,0|3,0,0]=4 120 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,0,0,1,0,0|2,0,0]=3 125 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [0,0,0,1,0,0|1,0,0]=2 128 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.110 CC(=C1CCC1)C(=O)O Z1341746422 [0,0,0,1,0,0|1,0,2]=4 130 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,0,0,1,0,0|1,0,0]=2 131 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.110 CC(C(=O)O)N1CCC1 Z2310732393 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,0,0,1,0,0|0,0,0]=1 134 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,0,0,1,0,0|1,0,0]=2 135 B9R1.111 CC(C(=O)O)C1(CC1)N Z2327568962 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.111 CC1(CC1)C(N)C(=O)O Z2940229290 [0,0,0,1,0,0|0,0,0]=1 137 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,0,0,1,0,0|1,0,0]=2 138 B9R1.132 N[C@H]1C(=O)OC[C@H]1CO Z4342606943 [0,0,0,1,0,0|1,0,0]=2 139 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [0,0,0,0,0,1|1,0,0]=2 140 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,0,0,0,0,1|1,0,1]=3 141 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [0,0,0,0,0,1|2,0,1]=4 142 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,0,0,0,0,1|0,0,0]=1 143 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,0,0,0,0,1|2,0,1]=4 144 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,0,0,0,0,1|3,0,0]=4 145 B6R0.1 C=CCC(N)CC Z1981870426 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.1 C=CCC(O)CC Z808662120 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.1 CC(CN)CCO Z1203581915 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.1 CCC(C)CNC Z1266854907 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.1 CCC(N)CCO Z1258578227 [2,0,0,0,0,0|1,0,1]=4 150 B6R0.1 CCC(O)CCO Z1198157972 [2,0,0,0,0,0|1,0,1]=4 151 B6R0.1 CCCC(N)C#N Z398513448 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.1 CCCC(N)CC Z1642389626 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.1 CCCC(N)CN Z425861040 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.1 CNC(C)CCO Z1198266877 [2,0,0,0,0,0|1,0,1]=4 155 B6R0.1 COCC(N)CO Z1945984156 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.1 CSC(C)CCO Z1262258908 [2,0,0,0,0,0|1,0,1]=4 157 B6R0.2 C=C(C)CC(=O)O Z295890066 [2,0,0,0,0,0|0,0,2]=4 158 B6R0.2 CC(=CC(=O)O)C Z104480144 [2,0,0,0,0,0|0,0,2]=4 159 B6R0.2 CC(=O)CC(C)N Z57329385 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.2 CC(C)CB(O)O Z1098324138 [2,0,0,0,0,0|1,0,1]=4 161 B6R0.2 CC(C)CC(=N)N Z1346385639 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.2 CC(C)CC(=O)N Z33546511 [2,0,0,0,0,0|1,0,0]=3 163 B6R0.2 CC(C)CC(=O)O Z104474910 [2,0,0,0,0,0|0,0,0]=2 164 B6R0.2 CC(C)NC(=O)N Z56887677 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.2 CC(N)CC(=O)N Z594220690 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.2 CC(N)CC(=O)O Z147647144 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.2 CN(C)CC(=O)N Z54750057 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.2 CN(C)CC(=O)O Z235580496 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|0,0,2]=4 171 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|0,0,2]=4 172 B6R0.4 CC/C=C/C(=O)O Z2311573931 [2,0,0,0,0,0|0,0,2]=4 173 B6R0.4 CCC#CC(=O)O Z1205493735 [2,0,0,0,0,0|0,0,2]=4 174 B6R0.4 CCCCB(O)O Z1147227739 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.4 CCCCC(=N)N Z1723418909 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,0]=3 177 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|0,0,0]=2 178 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.4 CCCOC(=O)N Z1198148877 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.4 CCNCC(=O)N Z1459435506 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.4 CNCCC(=O)C Z1536943318 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.4 COCCC(=O)C Z362119682 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.4 COCCC(=O)N Z394696458 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.4 NCCCC(=O)N Z398513418 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.3 C#CC(N)C(C)C Z1982493902 [2,0,0,0,0,0|1,0,1]=4 194 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.3 C=CC(N)C(=O)O Z3244810526 [2,0,0,0,0,0|0,0,2]=4 196 B6R0.3 CC(C)C(N)C#N Z1266854874 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.3 CC(C)C(N)CN Z1266933925 [2,0,0,0,0,0|1,0,1]=4 198 B6R0.3 CC(C)N(C)C=O Z1258520821 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [2,0,0,0,0,0|1,0,1]=4 200 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [2,0,0,0,0,0|1,0,1]=4 201 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [2,0,0,0,0,0|0,0,1]=3 202 B6R0.3 CC(CN)C(=O)O Z431542704 [2,0,0,0,0,0|2,0,0]=4 203 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.3 CC(N)C(C)CO Z1203581847 [2,0,0,0,0,0|1,0,1]=4 205 B6R0.3 CCC(C)C(=N)N Z823287482 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.3 CCC(C)C(=O)N Z270978420 [2,0,0,0,0,0|0,0,1]=3 207 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|1,0,0]=3 208 B6R0.3 CCC(C)C(C)N Z335455612 [2,0,0,0,0,0|0,0,1]=3 209 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|0,0,0]=2 210 B6R0.3 CCC(N)C(C)C Z823287438 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.3 CCC(O)C(=O)N Z965049008 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.3 CCC(O)C(C)O Z1251352132 [2,0,0,0,0,0|2,0,0]=4 214 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|0,0,0]=2 215 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|1,0,0]=3 216 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|0,0,0]=2 217 B6R0.3 CNC(C)C(=O)O Z1278590830 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.3 COC(C)C(=O)N Z223645218 [2,0,0,0,0,0|1,0,1]=4 220 B6R0.3 COC(C)C(=O)O Z316258898 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [2,0,0,0,0,0|1,0,1]=4 222 B6R0.3 COC(C)[C@H](C)N Z1795817829 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.3 CSC(C)C(=O)O Z149191750 [2,0,0,0,0,0|2,0,0]=4 224 B6R0.3 CSC(C)C(C)O Z1273036711 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.3 NC(CO)C(=O)O Z57396986 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.3 NC(CS)C(=O)O Z966690626 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.3 NCC(N)C(=O)O Z2465863279 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [2,0,0,0,0,0|1,0,0]=3 232 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,1,0,0,0,0|0,0,0]=2 233 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [1,1,0,0,0,0|0,0,2]=4 234 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,0,0,0,0|0,0,0]=2 235 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,0,0,0,0|1,0,0]=3 236 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [1,1,0,0,0,0|1,0,0]=3 237 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [1,1,0,0,0,0|0,0,0]=2 238 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [1,1,0,0,0,0|0,0,2]=4 239 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,1,0,0,0,0|0,0,0]=2 240 B8R0.5 COCC(C)NC(=O)N Z56989549 [1,1,0,0,0,0|2,0,0]=4 241 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [1,1,0,0,0,0|0,0,2]=4 242 B8R0.16 CCC(CC)CC(=O)O Z352782266 [1,1,0,0,0,0|0,0,0]=2 243 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [1,1,0,0,0,0|0,0,0]=2 244 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [1,1,0,0,0,0|1,0,0]=3 245 B8R0.16 COC(CN)CC(=O)O Z1827898018 [1,1,0,0,0,0|1,0,0]=3 246 B8R0.19 CCC(C)CC(N)CO Z1198179422 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.19 CCC(C)NC(=O)CCl Z56853748 [1,1,0,0,0,0|2,0,0]=4 248 B8R0.19 COC(=O)CC(C)SC Z732206678 [1,1,0,0,0,0|1,0,0]=3 249 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [1,1,0,0,0,0|0,0,0]=2 251 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [1,1,0,0,0,0|1,0,0]=3 252 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [1,1,0,0,0,0|1,0,0]=3 253 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [1,1,0,0,0,0|1,0,1]=4 254 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [1,1,0,0,0,0|1,0,0]=3 255 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [1,1,0,0,0,0|2,0,0]=4 256 B8R0.24 CCC(C)CC(C)(C)O Z1258798904 [1,1,0,0,0,0|1,0,1]=4 257 B8R0.24 CCC(C)CS(=O)(=O)N Z954606746 [1,1,0,0,0,0|1,0,1]=4 258 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [1,1,0,0,0,0|0,0,2]=4 259 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [1,1,0,0,0,0|1,0,1]=4 260 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [1,1,0,0,0,0|1,0,0]=3 261 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [1,1,0,0,0,0|1,0,0]=3 262 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [1,1,0,0,0,0|0,0,0]=2 263 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [1,1,0,0,0,0|2,0,0]=4 264 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [1,1,0,0,0,0|2,0,0]=4 265 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [1,1,0,0,0,0|1,0,0]=3 266 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [1,1,0,0,0,0|0,0,2]=4 267 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [1,1,0,0,0,0|2,0,0]=4 268 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [1,1,0,0,0,0|1,0,0]=3 269 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [1,1,0,0,0,0|0,0,0]=2 270 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [1,1,0,0,0,0|0,0,0]=2 271 B8R0.3 COC(=O)C(C)CCN Z3025061158 [1,1,0,0,0,0|2,0,0]=4 272 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,1,0,0,0,0|0,0,1]=3 273 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,1,0,0,0,0|0,0,1]=3 274 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,1,0,0,0,0|0,0,1]=3 275 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,1,0,0,0,0|2,0,0]=4 276 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,1,0,0,0,0|1,0,0]=3 277 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,1,0,0,0,0|0,0,0]=2 278 B8R0.8 CCCCC(N)C(C)O Z2453175125 [1,1,0,0,0,0|1,0,1]=4 279 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,1,0,0,0,0|1,0,0]=3 280 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,1,0,0,0,0|0,0,0]=2 281 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,1,0,0,0,0|0,0,0]=2 282 B8R0.8 CCOCC(C)C(=O)O Z431541098 [1,1,0,0,0,0|1,0,0]=3 283 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,1,0,0,0,0|0,0,0]=2 284 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,1,0,0,0,0|1,0,0]=3 285 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,1,0,0,0,0|0,0,0]=2 286 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,1,0,0,0,0|0,0,0]=2 287 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,1,0,0,0,0|1,0,0]=3 288 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,1,0,0,0,0|0,0,0]=2 289 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,1,0,0,0,0|0,0,0]=2 290 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [1,1,0,0,0,0|1,0,1]=4 291 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,1,0,0,0,0|0,0,0]=2 292 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,1,0,0,0,0|0,0,0]=2 293 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,1,0,0,0,0|0,0,0]=2 294 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,1,0,0,0,0|1,0,0]=3 295 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [1,1,0,0,0,0|1,0,1]=4 296 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [1,1,0,0,0,0|2,0,0]=4 297 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [1,1,0,0,0,0|1,0,0]=3 298 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [1,1,0,0,0,0|2,0,0]=4 299 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [1,1,0,0,0,0|0,0,0]=2 300 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [1,1,0,0,0,0|1,0,0]=3 301 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [1,1,0,0,0,0|2,0,0]=4 302 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [1,1,0,0,0,0|2,0,0]=4 303 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [1,1,0,0,0,0|2,0,0]=4 304 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [1,1,0,0,0,0|1,0,0]=3 305 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [1,1,0,0,0,0|2,0,0]=4 306 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [1,1,0,0,0,0|2,0,0]=4 307 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [1,1,0,0,0,0|2,0,0]=4 308 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,1,0,0,0,0|1,0,0]=3 309 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,0,0,0,0|0,0,0]=2 310 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,1,0,0,0,0|1,0,0]=3 311 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,1,0,0,0,0|2,0,0]=4 312 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [1,1,0,0,0,0|2,0,0]=4 313 B8R0.15 CCOC(CC)C(=O)O Z449367060 [1,1,0,0,0,0|2,0,0]=4 314 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [1,1,0,0,0,0|2,0,0]=4 316 B8R0.13 CSC(C)(C)[C@H](N)CO Z228588390 [1,1,0,0,0,0|1,0,1]=4 317 B8R0.20 CCC(C)C(CN)OC Z1270207707 [1,1,0,0,0,0|2,0,0]=4 318 B8R0.20 CCC(C)C(CO)OC Z2234631187 [1,1,0,0,0,0|1,0,1]=4 319 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [1,1,0,0,0,0|0,0,0]=2 320 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [1,1,0,0,0,0|1,0,0]=3 321 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [1,1,0,0,0,0|2,0,0]=4 322 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [1,1,0,0,0,0|1,0,0]=3 323 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [1,1,0,0,0,0|1,0,0]=3 324 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [1,1,0,0,0,0|2,0,0]=4 325 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [1,1,0,0,0,0|0,0,0]=2 327 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [1,1,0,0,0,0|1,0,0]=3 328 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [1,1,0,0,0,0|1,0,0]=3 329 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [1,1,0,0,0,0|0,0,0]=2 330 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [1,1,0,0,0,0|1,0,0]=3 331 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [1,1,0,0,0,0|1,0,0]=3 332 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [1,1,0,0,0,0|0,0,0]=2 333 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [1,1,0,0,0,0|0,0,0]=2 334 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [1,1,0,0,0,0|0,0,0]=2 335 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [1,1,0,0,0,0|2,0,0]=4 336 B8R0.27 NC(C(=O)O)C(F)(F)F Z1837073442 [1,1,0,0,0,0|2,0,0]=4 337 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [1,1,0,0,0,0|1,0,0]=3 338 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [1,1,0,0,0,0|1,0,0]=3 339 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [1,1,0,0,0,0|1,0,1]=4 340 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [1,1,0,0,0,0|2,0,0]=4 341 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [1,1,0,0,0,0|1,0,0]=3 342 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [1,1,0,0,0,0|2,0,0]=4 343 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [1,1,0,0,0,0|2,0,0]=4 344 B10R0.13 CC(C)C(C)C(C)CC(=O)O Z2301602224 [0,1,0,0,0,1|1,0,0]=3 345 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,1,0,0,0,1|0,0,0]=2 346 B10R0.72 CCC(CO)NC(C)C(=O)O Z852758198 [0,1,0,0,0,1|1,0,0]=3 347 B10R0.72 CCN(CC)CC(F)C(=O)O Z1407007490 [0,1,0,0,0,1|2,0,0]=4 348 B10R0.35 CCOC(=O)C(N)C(C)CC Z1270207946 [0,2,0,0,0,0|0,0,0]=2 349 B10R0.81 CCCCC(N)C(O)C(=O)O Z1238572379 [0,2,0,0,0,0|2,0,0]=4 350 B10R0.154 CC(C(=O)O)C(C)C(C)(C)C Z1262525834 [0,2,0,0,0,0|1,0,0]=3 351 B10R0.154 CC(C)(C)C(O)C(N)C(=O)O Z4351247763 [0,2,0,0,0,0|1,0,0]=3 352 B10R0.154 NC(C(=O)O)C(O)C(F)(F)F Z56767333 [0,2,0,0,0,0|2,0,0]=4 353 B10R0.38 CCC(CC)C(N)C(=O)OC Z802900902 [0,2,0,0,0,0|0,0,0]=2 354 B10R0.117 CC(C)C(N)C(C)(C)C(=O)O Z2787257706 [0,2,0,0,0,0|2,0,0]=4 355 B10R0.117 CC(C)C(O)C(C)(C)C(=O)O Z982140642 [0,2,0,0,0,0|2,0,0]=4 356 B10R0.117 CC(C)C(O)C(F)(F)C(=O)O Z982139518 [0,2,0,0,0,0|2,0,0]=4 357 B10R0.117 CC(O)(C(F)F)C(N)C(=O)O Z3759788258 [0,2,0,0,0,0|1,0,0]=3 358 B10R0.94 CCC(C(=O)O)N(CC)CC Z1270387267 [0,2,0,0,0,0|2,0,0]=4 359 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [1,0,0,1,0,0|1,0,0]=3 361 B8R1.1 CCC1COC(=N1)N Z3231924235 [1,0,0,1,0,0|2,0,0]=4 362 B8R1.1 COC1CNC(=O)C1 Z1203749511 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.1 NCC1COC(=O)C1 Z1262663655 [1,0,0,1,0,0|1,0,0]=3 364 B8R1.1 NCC1COC(=O)N1 Z2130644119 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.1 NCC1COC(=O)O1 Z3474887077 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.1 O=C1CC(CN1)CO Z1201625841 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [1,0,0,1,0,0|2,0,0]=4 369 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [1,0,0,1,0,0|2,0,0]=4 370 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [1,0,0,1,0,0|2,0,0]=4 371 B8R1.4 CC1CCCC(=O)C1 Z56899044 [1,0,0,1,0,0|1,0,0]=3 372 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [1,0,0,1,0,0|2,0,0]=4 373 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [1,0,0,1,0,0|1,0,0]=3 374 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [1,0,0,1,0,0|2,0,0]=4 375 B8R1.4 O=C1CC(CCN1)O Z1198221829 [1,0,0,1,0,0|2,0,0]=4 376 B8R1.18 CC1CC(=O)NC1C Z1203733092 [1,0,0,1,0,0|1,0,0]=3 377 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [1,0,0,1,0,0|1,0,0]=3 378 B8R1.31 O=C(O)C1CCC1F Z2035936452 [1,0,0,1,0,0|1,0,0]=3 379 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [1,0,0,1,0,0|1,0,0]=3 380 B8R1.34 N=C(N)CC1CCC1 Z1642389696 [1,0,0,1,0,0|2,0,0]=4 381 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [1,0,0,1,0,0|2,0,0]=4 382 B8R1.34 NC(=O)NC1CCC1 Z979783478 [1,0,0,1,0,0|2,0,0]=4 383 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [1,0,0,1,0,0|0,0,2]=4 384 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,0,1,0,0|0,0,0]=2 385 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [1,0,0,1,0,0|1,0,0]=3 386 B8R1.42 CC1(CC1)CC(=N)N Z3804798505 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,0,1,0,0|0,0,0]=2 388 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [1,0,0,1,0,0|1,0,1]=4 389 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [1,0,0,1,0,0|1,0,1]=4 390 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [1,0,0,1,0,0|1,0,0]=3 391 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [1,0,0,1,0,0|1,0,1]=4 392 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|1,0,1]=4 393 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|1,0,1]=4 394 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [1,0,0,1,0,0|0,0,0]=2 397 B8R1.5 CC1CCCCC1=O Z104477192 [1,0,0,1,0,0|2,0,0]=4 398 B8R1.5 CC1CCCNC1=O Z1013766916 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.5 NC1CCCCC1=O Z2186882796 [1,0,0,1,0,0|1,0,0]=3 400 B8R1.5 NC1CCCNC1=O Z993991168 [1,0,0,1,0,0|1,0,0]=3 401 B8R1.5 NN1CCCCC1=O Z976663668 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [1,0,0,1,0,0|1,0,1]=4 403 B8R1.5 O=C1CCCCC1Cl Z94598693 [1,0,0,1,0,0|2,0,0]=4 404 B8R1.5 O=C1NCCCC1F Z1203749514 [1,0,0,1,0,0|2,0,0]=4 405 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,1,0,0|2,0,0]=4 406 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [1,0,0,1,0,0|1,0,1]=4 407 B8R1.7 NC(=O)C1CCCC1 Z33546657 [1,0,0,1,0,0|2,0,0]=4 408 B8R1.7 NC(=O)C1CCCN1 Z56945990 [1,0,0,1,0,0|1,0,0]=3 409 B8R1.7 NC(=O)C1CCCO1 Z33545380 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.7 NC(=O)C1CSCN1 Z316101160 [1,0,0,1,0,0|2,0,0]=4 411 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,1,0,0|1,0,1]=4 412 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [1,0,0,1,0,0|0,0,2]=4 413 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|1,0,0]=3 414 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|0,0,0]=2 415 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,1,0,0|1,0,0]=3 416 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|1,0,0]=3 417 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|2,0,0]=4 418 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,1,0,0|2,0,0]=4 419 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|2,0,0]=4 420 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|2,0,0]=4 421 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|1,0,0]=3 422 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [1,0,0,1,0,0|1,0,0]=3 423 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [1,0,0,1,0,0|2,0,0]=4 424 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [1,0,0,1,0,0|2,0,0]=4 425 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|0,0,0]=2 426 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|1,0,0]=3 427 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|0,0,0]=2 428 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|1,0,0]=3 429 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [1,0,0,1,0,0|1,0,0]=3 430 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [1,0,0,1,0,0|2,0,0]=4 431 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,0,0,1,0,0|0,0,0]=2 433 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [1,0,0,1,0,0|1,0,0]=3 434 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [1,0,0,1,0,0|1,0,0]=3 435 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [1,0,0,1,0,0|2,0,0]=4 436 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,0,1,0,0|0,0,0]=2 437 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [1,0,0,1,0,0|1,0,0]=3 438 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [1,0,0,1,0,0|1,0,0]=3 439 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [1,0,0,1,0,0|2,0,0]=4 440 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [1,0,0,1,0,0|1,0,0]=3 442 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [1,0,0,1,0,0|0,0,0]=2 444 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [1,0,0,1,0,0|1,0,0]=3 445 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [1,0,0,1,0,0|1,0,0]=3 446 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [1,0,0,1,0,0|1,0,0]=3 447 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [1,0,0,1,0,0|2,0,0]=4 448 B8R1.11 CC1CCCC1C=O Z1268606470 [1,0,0,1,0,0|1,0,0]=3 449 B8R1.11 CC1CCNC1CO Z1203831515 [1,0,0,1,0,0|0,0,1]=3 450 B8R1.11 CC1OCCC1C=O Z1342837783 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.11 CCC1CCCC1N Z813018518 [1,0,0,1,0,0|1,0,1]=4 452 B8R1.11 CCC1NCCC1C Z1723849174 [1,0,0,1,0,0|1,0,1]=4 453 B8R1.11 N[C@@H]1COC[C@@H]1CO Z2568674574 [1,0,0,1,0,0|1,0,1]=4 454 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [1,0,0,1,0,0|1,0,0]=3 455 B8R1.38 CC(CO)C1CCC1 Z1717769985 [1,0,0,1,0,0|1,0,1]=4 456 B8R1.38 CCC(N)C1CCC1 Z2941715980 [1,0,0,1,0,0|1,0,1]=4 457 B8R1.38 NCC(N)C1CCC1 Z1925930579 [1,0,0,1,0,0|1,0,1]=4 458 B8R1.50 CC1CCC(C1N)C Z1357774290 [1,0,0,1,0,0|1,0,1]=4 459 B8R1.50 CC1CNC(=O)C1C Z1203745887 [1,0,0,1,0,0|2,0,0]=4 460 B8R1.50 CC1COC(=O)C1N Z3951586277 [1,0,0,1,0,0|1,0,0]=3 461 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [1,0,0,1,0,0|1,0,0]=3 463 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,0,0,1,0,1|1,0,0]=3 464 B10R1.64 CC\1CCC/C1=C\C(=O)O Z1205498287 [0,0,0,1,0,1|1,0,1]=4 465 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,0,0,1,0,1|2,0,0]=4 466 B10R1.194 CC1C(CCN1C)C(=O)O Z1839475263 [0,0,0,1,0,1|2,0,0]=4 467 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O Z2379806278 [0,0,0,1,0,1|2,0,0]=4 468 B10R1.266 CN(CC(=O)O)C1CCC1 Z1255381537 [0,0,0,1,0,1|2,0,0]=4 469 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,0,0,1,0,1|1,0,0]=3 470 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,0,0,1,0,1|1,0,0]=3 471 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [0,0,0,1,0,1|2,0,0]=4 472 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,0,0,1,0,1|0,0,0]=2 473 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,0,0,1,0,1|2,0,0]=4 474 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)N Z1262618373 [0,0,0,1,0,1|2,0,0]=4 475 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,0,0,1,0,1|1,0,0]=3 476 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,0,0,1,0,1|1,0,0]=3 477 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,0,0,1,0,1|2,0,0]=4 478 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [0,0,0,1,0,1|2,0,0]=4 479 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,0,0,1,0,1|2,0,0]=4 480 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,0,0,1,0,1|2,0,0]=4 481 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,0,0,1,0,1|1,0,0]=3 482 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,0,0,1,0,1|1,0,0]=3 483 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,0,0,1,0,1|0,0,0]=2 484 B10R1.113 CC1CCNC(C1)C(C)O Z1197886054 [0,0,0,1,0,1|1,0,1]=4 485 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,0,0,1,0,1|2,0,0]=4 486 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,0,0,1,0,1|2,0,0]=4 487 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,0,0,1,0,1|2,0,0]=4 488 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,0,0,1,0,1|1,0,0]=3 489 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,0,0,1,0,1|2,0,0]=4 490 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,0,0,1,0,1|2,0,0]=4 491 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,0,0,1,0,1|2,0,0]=4 492 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,0,0,1,0,1|2,0,0]=4 493 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,0,0,1,0,1|2,0,0]=4 494 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,1,0,1|2,0,0]=4 495 B10R1.118 CC1NC(C(NC1=O)C)C Z1813095020 [0,0,0,1,0,1|2,0,0]=4 496 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,0,0,1,0,1|0,0,0]=2 497 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,0,0,1,0,1|2,0,0]=4 498 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,0,0,1,0,1|0,0,0]=2 499 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,0,0,1,0,1|2,0,0]=4 500 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,0,0,1,0,1|1,0,0]=3 501 B10R1.490 C#CC1CC(C1)(N)C(=O)O Z4657405282 [0,0,0,1,0,1|0,0,2]=4 502 B10R1.490 COC1CC(C1)(N)C(=O)O Z3135795518 [0,0,0,1,0,1|1,0,0]=3 503 B10R1.490 NC(=O)C1(CC(C1)CO)N Z3037487935 [0,0,0,1,0,1|2,0,0]=4 504 B10R1.23 CC(C(=O)O)C1=CCCC1 Z1205494118 [0,1,0,1,0,0|1,0,1]=4 505 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,1,0,1,0,0|1,0,0]=3 506 B10R1.23 CC(C(=O)O)N1CCCC1 Z1459956121 [0,1,0,1,0,0|2,0,0]=4 507 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,1,0,1,0,0|0,0,0]=2 508 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,1,0,1,0,0|1,0,0]=3 509 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,1,0,1,0,0|1,0,0]=3 510 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,1,0,1,0,0|0,0,1]=3 511 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,1,0,1,0,0|1,0,0]=3 512 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,1,0,1,0,0|1,0,1]=4 513 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O Z3247574257 [0,1,0,1,0,0|2,0,0]=4 514 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,1,0,1,0,0|2,0,0]=4 515 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [0,1,0,1,0,0|2,0,0]=4 516 B10R1.61 CC1CNCCC1C(=O)O Z1795818158 [0,1,0,1,0,0|1,0,0]=3 517 B10R1.61 CC1COCCC1C(=O)O Z1205496403 [0,1,0,1,0,0|1,0,0]=3 518 B10R1.61 CC1NCCCC1C(=O)O Z1255463358 [0,1,0,1,0,0|1,0,0]=3 519 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,1,0,1,0,0|2,0,0]=4 520 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,1,0,1,0,0|2,0,0]=4 521 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,1,0,1,0,0|2,0,0]=4 522 B10R1.61 CN1CCNCC1C(=O)O Z2679906813 [0,1,0,1,0,0|1,0,0]=3 523 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [0,1,0,1,0,0|0,0,0]=2 524 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [0,1,0,1,0,0|0,0,0]=2 525 B10R1.61 C[C@@H]1NCCN[C@@H]1C(=O)O Z4444621005 [0,1,0,1,0,0|0,0,0]=2 526 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O Z1913661250 [0,1,0,1,0,0|0,0,0]=2 527 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,1,0,1,0,0|2,0,0]=4 528 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,1,0,1,0,0|2,0,0]=4 529 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,1,0,1,0,0|2,0,0]=4 530 B10R1.61 O=C(O)C1CCNCC1F Z3243524018 [0,1,0,1,0,0|2,0,0]=4 531 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,1,0,1,0,0|2,0,0]=4 532 B10R1.81 CC1CN(C1)C(C)C(=O)O Z4927164198 [0,1,0,1,0,0|2,0,0]=4 533 B10R1.278 CC(C1CC1)C(N)C(=O)O Z2010010266 [0,1,0,1,0,0|0,0,0]=2 534 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,1,0,1,0,0|1,0,0]=3 535 B10R1.291 CC1CCCC1(N)C(=O)N Z1258614045 [0,1,0,1,0,0|1,0,0]=3 536 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,1,0,1,0,0|0,0,0]=2 537 B10R1.291 CC1OCCC1(C)C(=O)O Z1643426568 [0,1,0,1,0,0|1,0,0]=3 538 B10R1.291 C[C@@H]1CNC[C@@]1(C)C(=O)O Z3036775390 [0,1,0,1,0,0|1,0,0]=3 539 B10R1.291 O=C(O)[C@@]1(CNC[C@H]1O)O Z5064709371 [0,1,0,1,0,0|2,0,0]=4 540 B10R1.495 O=C(O)C(O)C1(CCC1)O Z1205497473 [0,1,0,1,0,0|1,0,0]=3 541 B10R1.183 COC(=O)C(N)C1(CC1)C Z3038762990 [0,1,0,1,0,0|0,0,0]=2 542 B10R1.119 CC1CCN(C(=O)C1N)C Z5071264854 [0,1,0,1,0,0|1,0,0]=3 543 B10R1.149 COC(=O)C1CCCN1C Z905213162 [0,1,0,1,0,0|2,0,0]=4 544 B10R1.149 COC(=O)C1CCOC1C Z1263715989 [0,1,0,1,0,0|2,0,0]=4 545 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N Z2327884296 [0,1,0,1,0,0|2,0,0]=4 546 B10R1.149 COC(=O)[C@@H]1CNC[C@H]1C Z1955367646 [0,1,0,1,0,0|2,0,0]=4 547 B10R1.159 CC[C@@H]1C[C@@]1(C)C(=O)CCl Z5015178567 [0,1,0,1,0,0|2,0,0]=4 548 B10R1.423 COC(=O)[C@]1(C([C@H]1C)C)N Z3302638731 [0,1,0,1,0,0|0,0,0]=2 549 B10R1.354 CC(C)(C(=O)O)C1CCC1 Z1717761806 [0,1,0,1,0,0|1,0,0]=3 550 B10R1.354 CC(N)(C(=O)O)C1CCC1 Z2235409220 [0,1,0,1,0,0|0,0,0]=2 551 B10R1.355 CC1(CC1)C(C)(N)C(=O)O Z1801304551 [0,1,0,1,0,0|0,0,0]=2 552 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,1,0,1,0,0|1,0,0]=3 553 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [0,1,0,1,0,0|0,0,0]=2 554 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [0,1,0,1,0,0|1,0,0]=3 555 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [0,1,0,1,0,0|1,0,0]=3 556 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,1,0,1,0,0|1,0,0]=3 557 B10R1.39 NCC1OCCC1C(=O)O Z2237698503 [0,1,0,1,0,0|2,0,0]=4 558 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [0,1,0,1,0,0|1,0,0]=3 559 B10R1.245 CC1CCNC(=O)C1CN Z3482333911 [0,1,0,1,0,0|1,0,0]=3 560 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C Z2307368764 [0,1,0,1,0,0|2,0,0]=4 561 B10R1.128 CC1(CCC=C1C(=O)O)C Z1205498101 [0,1,0,1,0,0|1,0,1]=4 562 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [0,1,0,1,0,0|1,0,0]=3 563 B10R1.128 CC1(CCNC1C(=O)O)C Z2301438439 [0,1,0,1,0,0|0,0,0]=2 564 B10R1.128 CC1(CNCC1C(=O)O)C Z1741975323 [0,1,0,1,0,0|2,0,0]=4 565 B10R1.128 CC1(NCCC1C(=O)O)C Z3485881429 [0,1,0,1,0,0|2,0,0]=4 566 B10R1.128 CC1(OCCC1C(=O)O)C Z1205495057 [0,1,0,1,0,0|2,0,0]=4 567 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [0,1,0,1,0,0|1,0,0]=3 568 B10R1.128 O=C(O)C1CCCC1(F)F Z1222424705 [0,1,0,1,0,0|2,0,0]=4 569 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,1,0,1,0,0|0,0,0]=2 570 B10R1.360 CC(C)C1(CC1C(=O)O)C Z979743516 [0,1,0,1,0,0|1,0,0]=3 571 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,1,0,1,0,0|0,0,0]=2 572 B10R2.68 O=C1NCCC2C1CC2 Z3243444395 [0,0,0,2,0,0|2,0,0]=4 573 B10R2.32 O=C1NCC2C1CCC2 Z1198170665 [0,0,0,2,0,0|2,0,0]=4 574 B10R2.32 O=C1NC[C@H]2[C@@H]1CCC2 Z3715300326 [0,0,0,2,0,0|2,0,0]=4 575 B10R2.32 O=C1NC[C@H]2[C@@H]1OCC2 Z2309776372 [0,0,0,2,0,0|2,0,0]=4 576 B10R2.32 O=C1OC[C@H]2[C@@H]1CCC2 Z2786565576 [0,0,0,2,0,0|1,0,0]=3 577 B10R2.32 O=C1OC[C@H]2[C@@H]1NCC2 Z4078237372 [0,0,0,2,0,0|0,0,0]=2 578 B10R2.32 O[C@@H]1CC[C@@H]2[C@H]1NCC2 Z2687578440 [0,0,0,2,0,0|1,0,1]=4 579 B10R2.32 O[C@@H]1CC[C@H]2[C@@H]1NCC2 Z3511194672 [0,0,0,2,0,0|1,0,1]=4 580 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,2,0,0|2,0,0]=4 581 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,2,0,0|2,0,0]=4 582 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,2,0,0|2,0,0]=4 583 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,2,0,0|0,0,0]=2 584 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,2,0,0|0,0,0]=2 585 B10R2.308 O=C(O)[C@@]12C[C@H]([C@@H]1C2)O Z3380556323 [0,0,0,2,0,0|2,0,0]=4 586 B10R2.311 CC1C(=O)NC12CCC2 Z5177307335 [0,0,0,2,0,0|2,0,0]=4 587 B10R2.638 O=C(O)C1CC12CCC2 Z1201622715 [0,0,0,2,0,0|1,0,0]=3 588 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [1,0,0,0,0,1|1,0,0]=3 589 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [1,0,0,0,0,1|1,0,1]=4 590 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [1,0,0,0,0,1|1,0,1]=4 591 B8R0.9 CCC(C)CCC(=O)C Z955111260 [1,0,0,0,0,1|1,0,0]=3 592 B8R0.9 CCC(C)CCC(=O)O Z955111774 [1,0,0,0,0,1|0,0,0]=2 593 B8R0.9 CCC(C)NCC(=O)O Z425484950 [1,0,0,0,0,1|0,0,0]=2 594 B8R0.9 CCC(C)OCC(=O)O Z839103364 [1,0,0,0,0,1|0,0,0]=2 595 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [1,0,0,0,0,1|1,0,0]=3 596 B8R0.9 COC(C)CCC(=O)O Z963595334 [1,0,0,0,0,1|1,0,0]=3 597 B8R0.9 CSC(C)CCC(=O)O Z963595804 [1,0,0,0,0,1|1,0,0]=3 598 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [1,0,0,0,0,1|2,0,0]=4 599 B10R0.57 CCC(C)C(=O)NCC(=O)O Z239129928 [0,0,0,0,0,2|1,0,1]=4 600 B10R0.82 CCC(N)COC(C)C(=O)O Z5122110101 [0,0,0,0,0,2|2,0,0]=4