0 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.23 CC(C)CN(C)C(=N)N Z2526714360 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.23 CC(C)NC(=O)C(C)Cl Z85917590 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.23 CC(C)NC(=O)C(C)N Z1449741458 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(C)NC(=O)C(C)O Z431951892 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.23 CC(C)OC(=O)[C@@H](C)N Z1431904013 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.2 CC(C)CC(C)CO Z1198147790 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.2 CC(C)CC(N)CO Z734151210 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.2 CC(C)NC(=O)CN Z316170536 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.2 CC(C)NC(=O)CO Z431952044 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.2 CC(C)OC(=O)CN Z1245635749 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.2 CNC(=N)CC(C)C Z4121959005 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.2 CNC(=O)CC(C)N Z1457935170 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.2 COC(=O)CC(C)N Z169856728 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.5 C=C(C)C(=O)OCC Z852747724 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.5 CCOC(=O)C(=O)N Z104475764 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,0,0,0,0|1,0,2]=4 50 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.6 CC(=O)NCC(C)O Z353603952 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [1,0,0,0,0,0|0,0,2]=3 55 B7R0.6 CC(C)CCC(=N)N Z2522503133 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,0,0|0,0,1]=2 57 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,0,0,0,0|1,0,1]=3 62 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.11 CC(C)CC(C)(C)C(=O)O Z995179602 [0,1,0,0,0,0|1,0,1]=3 68 B9R0.11 CC(C)CC(C)(N)C(=O)N Z477337822 [0,1,0,0,0,0|2,0,1]=4 69 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,1,0,0,0,0|1,0,1]=3 70 B9R0.11 CC(C)OC(C)(C)C(=O)O Z803494892 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.11 CN(C)CC(C)(C)C(=O)O Z2941395068 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.23 CC(C)NC(=O)C(=O)NN Z90666851 [0,1,0,0,0,0|2,0,0]=3 73 B9R0.23 CCC(=O)C(C)CC(C)C Z1138187020 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.23 CNC(=O)C(N)CC(C)C Z815264052 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [0,1,0,0,0,0|1,0,1]=3 76 B9R0.23 COC(=O)C(N)CC(C)C Z56960272 [0,1,0,0,0,0|1,0,1]=3 77 B9R0.23 COC(=O)C(N)CN(C)C Z2096088400 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.23 COC(=O)C(O)CC(C)C Z965047572 [0,1,0,0,0,0|0,0,2]=3 79 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,1,0,0,0,0|1,0,1]=3 80 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [0,1,0,0,0,0|1,0,1]=3 81 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [0,1,0,0,0,0|0,0,2]=3 83 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,0|1,0,1]=3 85 B9R0.42 CNC(C)CN(C)C(=O)C Z4994365145 [0,1,0,0,0,0|3,0,0]=4 86 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,0,0,0,0|1,0,2]=4 87 B9R0.57 C/C(=C\C(C)(C)C)/C(=O)O Z1868430509 [0,1,0,0,0,0|1,0,1]=3 88 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,0,0|1,0,1]=3 89 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,1,0,0,0,0|0,0,2]=3 90 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,1,0,0,0,0|1,0,1]=3 91 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,1,0,0,0,0|1,0,1]=3 92 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [0,1,0,0,0,0|1,0,1]=3 93 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.57 CC(O)C(=O)OC(C)(C)C Z1272685061 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,1,0,0,0,0|1,0,1]=3 96 B9R0.79 CC(C)C(N)C(=O)N(C)C Z317076156 [0,1,0,0,0,0|3,0,0]=4 97 B9R0.79 CC(C)C(N)C(O)C(=O)O Z1203578698 [0,1,0,0,0,0|0,0,2]=3 98 B9R0.79 CC(C)C(O)C(=O)N(C)C Z1813165986 [0,1,0,0,0,0|3,0,0]=4 99 B9R0.79 CC(C)N(O)C(=O)C(=O)O Z1205656969 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,0,0,1,0,0|1,0,1]=3 101 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,0|1,0,1]=3 103 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,0,0,1,0,0|0,0,2]=3 104 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,0|2,0,1]=4 108 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,1,0,0|2,0,1]=4 110 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,1,0,0|2,0,1]=4 112 B9R1.36 CC1CC(NC1=O)(C)C Z1263714376 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,0,0,1,0,0|2,0,1]=4 115 B9R1.69 CC1CNC(=O)C(C1)C Z1203733670 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,0,1,0,0|1,0,1]=3 117 B9R1.112 O=C(O)C(=O)NC1CC1 Z424779034 [0,0,0,1,0,0|1,0,0]=2 118 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,0,0,1,0,0|1,0,1]=3 119 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [0,0,0,1,0,0|2,0,1]=4 120 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,0,0,1,0,0|1,0,1]=3 121 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,0,0,1,0,0|2,0,1]=4 122 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [0,0,0,1,0,0|1,0,2]=4 124 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,0,0,1,0,0|1,0,1]=3 125 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,0,0,1,0,0|1,0,1]=3 126 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [0,0,0,1,0,0|2,0,1]=4 127 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,0,0,1,0,0|1,0,1]=3 128 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,0,0,0,1,0|2,0,0]=3 129 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,0,0,0,1,0|1,0,1]=3 130 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,0,0,0,1,0|1,0,1]=3 131 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,0,0,0,1,0|1,0,1]=3 132 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,0,0,0,1,0|1,0,1]=3 133 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,0,0,0,1,0|2,0,1]=4 134 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,0,0,0,1,0|1,0,1]=3 135 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,0,0,0,1,0|0,1,1]=3 136 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,0,0,0,1,0|2,0,1]=4 137 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,0,0,0,1,0|1,0,1]=3 138 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,0,0,0,1,0|1,0,1]=3 139 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,0,0,0,1,0|2,0,1]=4 140 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [0,0,0,0,1,0|2,0,1]=4 141 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,0,0,0,1,0|2,0,1]=4 142 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,0,0,0,1,0|2,0,1]=4 143 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,0,0,0,1,0|2,0,1]=4 144 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,0,0,0,1,0|2,0,1]=4 145 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,0,0,0,1,0|2,0,1]=4 146 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,0,0,0,1,0|2,0,1]=4 147 B9R0.7 C=C(CCN(C)C)C(=O)O Z2582507950 [0,0,0,0,0,1|2,0,0]=3 148 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,0,0,0,1|1,0,2]=4 149 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,0,0,0,0,1|1,0,1]=3 150 B9R0.7 CC(C)CNC(=O)C(C)Cl Z147652104 [0,0,0,0,0,1|2,0,1]=4 151 B9R0.7 CC(C)CNC(=O)C(C)N Z1449763125 [0,0,0,0,0,1|2,0,1]=4 152 B9R0.7 CC(C)COC(=O)C(C)O Z1198162798 [0,0,0,0,0,1|1,0,1]=3 153 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,0,0,0,0,1|1,0,1]=3 154 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,0,0,0,0,1|2,0,1]=4 155 B9R0.7 O=C(O)C(=O)NCC(F)F Z1493061625 [0,0,0,0,0,1|2,0,0]=3 156 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,0,0,0,1|2,0,1]=4 157 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,0,0,0,0,1|1,0,1]=3 158 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,0,0,0,0,1|1,0,1]=3 159 B9R0.53 CC(C)OC(=O)CC(=S)N Z330914786 [0,0,0,0,0,1|2,1,0]=4 160 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [0,0,0,0,0,1|2,0,1]=4 161 B6R0.1 CCCC(=O)CN Z1203579017 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.1 CCCC(=O)NO Z59181937 [2,0,0,0,0,0|1,0,0]=3 163 B6R0.1 CCNC(=O)CO Z431952024 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.1 CCOC(=O)CO Z385458066 [2,0,0,0,0,0|1,0,1]=4 165 B6R0.2 C=C(C)CC(=O)O Z295890066 [2,0,0,0,0,0|0,0,2]=4 166 B6R0.2 CC(=CC(=O)O)C Z104480144 [2,0,0,0,0,0|0,0,2]=4 167 B6R0.2 CC(=O)CC(C)N Z57329385 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.2 CC(C)CB(O)O Z1098324138 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.2 CC(C)CC(=N)N Z1346385639 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.2 CC(C)CC(=O)N Z33546511 [2,0,0,0,0,0|1,0,0]=3 171 B6R0.2 CC(C)CC(=O)O Z104474910 [2,0,0,0,0,0|0,0,0]=2 172 B6R0.2 CC(C)NC(=O)N Z56887677 [2,0,0,0,0,0|2,0,0]=4 173 B6R0.2 CC(N)CC(=O)N Z594220690 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.2 CC(N)CC(=O)O Z147647144 [2,0,0,0,0,0|1,0,0]=3 175 B6R0.2 CN(C)CC(=O)N Z54750057 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.2 CN(C)CC(=O)O Z235580496 [2,0,0,0,0,0|1,0,0]=3 177 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.4 C=COCC(C)C Z916978390 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.4 CC/C=C/C(=O)O Z2311573931 [2,0,0,0,0,0|0,0,1]=3 180 B6R0.4 CCC#CC(=O)O Z1205493735 [2,0,0,0,0,0|0,0,2]=4 181 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,1]=4 182 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|0,0,1]=3 183 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.4 CCCOC(=O)N Z1198148877 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|1,0,1]=4 186 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|1,0,1]=4 187 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.4 CS/C=C/C(=O)O Z1868430572 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|1,0,1]=4 190 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|1,0,1]=4 191 B6R0.4 O=C(O)/C=C/CO Z3178016098 [2,0,0,0,0,0|1,0,1]=4 192 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|1,0,1]=4 194 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|0,0,2]=4 196 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|1,0,1]=4 198 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|1,0,1]=4 199 B6R0.3 NNC(=O)C(=O)O Z3068042919 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [2,0,0,0,0,0|1,0,0]=3 201 B8R0.2 CNC(=O)C(N)C(C)C Z1449756432 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.2 CNC(=O)[C@@H](N)C(C)C Z1449756441 [1,1,0,0,0,0|2,0,0]=4 203 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [1,1,0,0,0,0|2,0,0]=4 204 B8R0.5 CC(C)CC(=O)CC#N Z360167452 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.5 COCC(=O)OC(C)C Z53836826 [1,1,0,0,0,0|1,0,1]=4 206 B8R0.19 COC(=O)CC(C)SC Z732206678 [1,1,0,0,0,0|2,0,0]=4 207 B8R0.24 C=CC(=O)NC(C)(C)C Z440633548 [1,1,0,0,0,0|2,0,0]=4 208 B8R0.24 CC(C)(C)NC(=O)CO Z431952026 [1,1,0,0,0,0|1,0,1]=4 209 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [1,1,0,0,0,0|1,0,1]=4 210 B8R0.24 CNC(=O)CC(C)(C)N Z1457934971 [1,1,0,0,0,0|2,0,0]=4 211 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [1,1,0,0,0,0|2,0,0]=4 212 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [1,1,0,0,0,0|2,0,0]=4 213 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [1,1,0,0,0,0|1,0,1]=4 214 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [1,1,0,0,0,0|1,0,1]=4 215 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,1,0,0,0,0|1,0,1]=4 216 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,1,0,0,0,0|1,0,1]=4 217 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,1,0,0,0,0|0,0,2]=4 218 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,1,0,0,0,0|1,0,1]=4 219 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.8 CCOCC(C)C(=O)O Z431541098 [1,1,0,0,0,0|1,0,1]=4 221 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,1,0,0,0,0|1,0,1]=4 223 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,1,0,0,0,0|1,0,1]=4 225 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,1,0,0,0,0|0,0,2]=4 226 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,1,0,0,0,0|1,0,1]=4 227 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,1,0,0,0,0|1,0,1]=4 228 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,1,0,0,0,0|1,0,1]=4 230 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,1,0,0,0,0|1,0,1]=4 231 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [1,1,0,0,0,0|1,0,1]=4 232 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [1,1,0,0,0,0|0,0,2]=4 233 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,1,0,0,0,0|1,0,1]=4 234 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,0,0,0,0|1,0,1]=4 235 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,1,0,0,0,0|0,0,2]=4 236 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.9 CC(C)CCC(=O)NO Z59183904 [1,1,0,0,0,0|0,0,1]=3 238 B8R0.9 CC(C)CNC(=O)CCl Z56887734 [1,1,0,0,0,0|2,0,0]=4 239 B8R0.9 CC(C)CNC(=O)CN Z1262246246 [1,1,0,0,0,0|2,0,0]=4 240 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [1,1,0,0,0,0|0,0,1]=3 241 B8R0.9 CCC(C)CCC(=O)C Z955111260 [1,1,0,0,0,0|1,0,1]=4 242 B8R0.9 CCC(C)CCC(=O)O Z955111774 [1,1,0,0,0,0|0,0,1]=3 243 B8R0.9 CCC(C)NCC(=O)O Z425484950 [1,1,0,0,0,0|1,0,1]=4 244 B8R0.9 CCC(C)OCC(=O)O Z839103364 [1,1,0,0,0,0|1,0,1]=4 245 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.9 COC(C)CCC(=O)O Z963595334 [1,1,0,0,0,0|0,0,1]=3 247 B8R0.9 CSC(C)CCC(=O)O Z963595804 [1,1,0,0,0,0|0,0,1]=3 248 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [1,1,0,0,0,0|1,0,1]=4 249 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.29 CC(C)(C)C#CC(=O)O Z1205493807 [1,1,0,0,0,0|0,0,2]=4 251 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [1,1,0,0,0,0|0,0,1]=3 252 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [1,1,0,0,0,0|2,0,0]=4 253 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [1,1,0,0,0,0|1,0,1]=4 254 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [1,1,0,0,0,0|1,0,1]=4 255 B8R0.29 CC(C)(N)C#CC(=O)O Z4371204029 [1,1,0,0,0,0|0,0,2]=4 256 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [1,1,0,0,0,0|0,0,1]=3 257 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [1,1,0,0,0,0|2,0,0]=4 258 B8R0.29 CC(C)(O)C#CC(=O)O Z1198166162 [1,1,0,0,0,0|0,0,2]=4 259 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [1,1,0,0,0,0|0,0,2]=4 260 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [1,1,0,0,0,0|1,0,1]=4 261 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,1,0,0,1,0|1,0,1]=4 262 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,1,0,0,1,0|0,0,2]=4 263 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,1,0,0,1,0|0,1,1]=4 264 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,1,0,0,1,0|1,0,1]=4 265 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,1,0,0,1,0|0,0,0]=2 266 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,1,0,0,1,0|1,0,1]=4 267 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,1,0,0,1,0|0,0,2]=4 268 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,1,0,0,1,0|1,0,1]=4 269 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,1,0,0,1,0|0,0,2]=4 270 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,1,0,0,1,0|0,0,2]=4 271 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,1,0,0,1,0|1,0,1]=4 272 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,1,0,0,1,0|1,0,1]=4 273 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,1,0,0,1,0|1,0,1]=4 274 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,1,0,0,1,0|1,0,1]=4 275 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,1,0,0,1,0|0,0,2]=4 276 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [0,1,0,0,0,1|1,0,1]=4 277 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,1,0,0,0,1|1,0,1]=4 278 B10R0.92 CC(CCC(C)(C)C)C(=O)O Z819995662 [0,1,0,0,0,1|1,0,1]=4 279 B10R0.31 CC(C)(C)CC(N)CC(=O)O Z1704732913 [0,1,0,0,0,1|1,0,1]=4 280 B10R0.31 CN(CC(=O)O)CC(C)(C)C Z1459981719 [0,1,0,0,0,1|2,0,0]=4 281 B10R0.44 C=CC(=O)NC(=O)NC(C)C Z2517218955 [0,1,0,0,0,1|2,0,0]=4 282 B10R0.44 COC(=O)CC(N)CC(C)C Z4707550262 [0,1,0,0,0,1|1,0,1]=4 283 B10R0.165 CC(C)CS(=O)(=O)CC(=O)O Z295402414 [0,1,0,0,0,1|1,0,0]=3 284 B10R0.154 CC(C(=O)O)C(C)C(C)(C)C Z1262525834 [0,2,0,0,0,0|1,0,1]=4 285 B10R0.154 CC(C)(C)C(O)C(N)C(=O)O Z4351247763 [0,2,0,0,0,0|1,0,1]=4 286 B10R0.117 CC(C)C(N)C(C)(C)C(=O)O Z2787257706 [0,2,0,0,0,0|1,0,1]=4 287 B10R0.117 CC(C)C(O)C(C)(C)C(=O)O Z982140642 [0,2,0,0,0,0|1,0,1]=4 288 B10R0.117 CC(C)C(O)C(F)(F)C(=O)O Z982139518 [0,2,0,0,0,0|1,0,1]=4 289 B10R0.119 CC(C)CC(C)(CN)C(=O)O Z2890496360 [0,2,0,0,0,0|1,0,1]=4 290 B10R0.163 CC(C)(C)CC(C)(C)C(=O)O Z1262511189 [0,2,0,0,0,0|1,0,1]=4 291 B10R0.37 COC(=O)C(N)CC(C)(C)C Z2418194244 [0,2,0,0,0,0|1,0,1]=4 292 B10R0.23 C=CCC(CC(C)C)C(=O)O Z1262513795 [0,2,0,0,0,0|1,0,1]=4 293 B10R0.95 CNC(CC(C)(C)C)C(=O)O Z1041195030 [0,2,0,0,0,0|1,0,1]=4 294 B10R0.162 CC(C)CC(C(=O)N)C(=O)O Z1262518071 [0,2,0,0,0,0|0,0,1]=3 295 B10R0.162 CC(C)CC(C(=O)O)C(=O)O Z1198161254 [0,2,0,0,0,0|0,0,1]=3 296 B10R0.162 CC(C)CC(C(=O)O)C(C)C Z756391614 [0,2,0,0,0,0|1,0,1]=4 297 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,2,0,0,0,0|1,0,1]=4 298 B8R1.1 CC1CC(=NO1)C=O Z2732442537 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,0,0,1,0,0|1,0,1]=4 300 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.4 CC1CCCC(=O)C1 Z56899044 [1,0,0,1,0,0|1,0,1]=4 302 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.29 CC1(CN(C1=O)O)C Z4512942627 [1,0,0,1,0,0|1,0,1]=4 305 B8R1.40 C=CC(=O)NC1CC1 Z276666586 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.40 COC(=O)CC1CC1 Z380123290 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.40 O=C(CCl)CC1CC1 Z1386913809 [1,0,0,1,0,0|1,0,1]=4 308 B8R1.40 O=C(CO)NC1CC1 Z431952008 [1,0,0,1,0,0|1,0,1]=4 309 B8R1.53 CC1(CC(C1)C=O)C Z1511834993 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.62 CC1CC(C1)(C)C=O Z1813377235 [1,0,0,1,0,0|1,0,1]=4 311 B8R1.65 CC1(CC1(C)C=O)C Z1511852399 [1,0,0,1,0,0|1,0,1]=4 312 B8R1.83 CC1CC1C(=O)CCl Z1386913500 [1,0,0,1,0,0|1,0,1]=4 313 B8R1.83 CC1CC1C(=O)NN Z58981971 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.83 CCC(=O)C1CC1C Z1259336402 [1,0,0,1,0,0|1,0,1]=4 315 B8R1.5 O=C1CCCCC1=O Z90122041 [1,0,0,1,0,0|1,0,0]=3 316 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [1,0,0,1,0,0|0,1,1]=4 318 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [1,0,0,1,0,0|2,0,0]=4 320 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|1,0,1]=4 321 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|1,0,1]=4 322 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,1,0,0|0,0,2]=4 323 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|0,1,1]=4 324 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|1,0,1]=4 325 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|1,0,1]=4 326 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [1,0,0,1,0,0|1,0,1]=4 327 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,0,0,1,0,0|1,0,1]=4 328 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [1,0,0,1,0,0|1,0,1]=4 329 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,0,1,0,0|1,0,1]=4 330 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [1,0,0,1,0,0|0,0,2]=4 331 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [1,0,0,1,0,0|1,0,1]=4 332 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [1,0,0,1,0,0|1,0,1]=4 333 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [1,0,0,1,0,0|1,0,1]=4 334 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [1,0,0,1,0,0|0,0,2]=4 335 B8R1.3 CC1CCC(=O)CC1 Z57073963 [1,0,0,1,0,0|1,0,1]=4 336 B8R1.3 CC1CCC(=O)NC1 Z969194082 [1,0,0,1,0,0|1,0,1]=4 337 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [1,0,0,1,0,0|1,0,1]=4 338 B8R1.35 NC(=O)NCC1CC1 Z247615948 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [1,0,0,1,0,0|0,0,2]=4 340 B8R1.35 O=C(O)CNC1CC1 Z432066928 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [1,0,0,1,0,0|0,0,1]=3 342 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,0,0,1,1,0|0,0,2]=4 343 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,0,0,1,1,0|1,0,1]=4 344 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,0,0,1,0,1|1,0,1]=4 345 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,0,0,1,0,1|1,0,1]=4 346 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,0,0,1,0,1|1,0,1]=4 347 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,0,0,1,0,1|1,0,1]=4 348 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,0,0,1,0,1|1,0,1]=4 349 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,0,0,1,0,1|1,0,1]=4 350 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,0,0,1,0,1|1,0,1]=4 351 B10R1.81 CC1CN(C1)C(C)C(=O)O Z4927164198 [0,0,0,1,0,1|1,0,1]=4 352 B10R1.205 CC(OCC1CC1)C(=O)O Z332379292 [0,0,0,1,0,1|1,0,1]=4 353 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,0,0,1,0,1|1,0,1]=4 354 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,0,0,1,0,1|1,0,1]=4 355 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,1,0,1|1,0,1]=4 356 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,0,0,1,0,1|1,0,1]=4 357 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,0,0,1,0,1|1,0,1]=4 358 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,0,0,1,0,1|1,0,1]=4 359 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,0,0,1,0,1|1,0,1]=4 360 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Z2235790964 [0,0,0,1,0,1|1,0,1]=4 361 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,0,0,1,0,1|1,0,1]=4 362 B10R1.54 CC(C)CC1=NOC(=C1)N Z360168616 [0,0,0,1,0,1|2,0,0]=4 363 B10R1.54 CC1CC/C(=C\C(=O)O)/C1 Z1868431092 [0,0,0,1,0,1|1,0,0]=3 364 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,0,0,1,0,1|1,0,1]=4 365 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [0,0,0,1,0,1|2,0,0]=4 366 B10R1.54 CN1CC/C(=C\C(=O)O)/C1 Z2469998616 [0,0,0,1,0,1|2,0,0]=4 367 B10R1.59 CC(C)C1NC(=O)NC1=O Z147652472 [0,0,0,1,0,1|1,0,0]=3 368 B10R1.59 CC(C)C1OC(=NC1=O)N Z57980337 [0,0,0,1,0,1|1,0,0]=3 369 B10R1.59 CC(C)N1CC(=O)NC1=O Z594217848 [0,0,0,1,0,1|2,0,0]=4 370 B10R1.59 CN(C)C1CC(=O)NC1=O Z1065613566 [0,0,0,1,0,1|2,0,0]=4 371 B10R1.310 CC1(OC(=O)C1C(=O)O)C Z56781501 [0,0,0,1,0,1|1,0,0]=3 372 B10R1.329 CC1(CC(=O)C=C(C1)N)C Z57154079 [0,0,0,1,0,1|2,0,0]=4 373 B10R1.329 CC1(CC(=O)CC(=O)C1)C Z104474686 [0,0,0,1,0,1|1,0,0]=3 374 B10R1.329 CC1(CC(=O)NC(=O)C1)C Z57475062 [0,0,0,1,0,1|1,0,0]=3 375 B10R1.330 CC1CNC(=O)CC(=O)C1 Z1203745932 [0,0,0,1,0,1|1,0,0]=3 376 B10R1.371 CC1(CC(C1)CC(=O)O)C Z1813149864 [0,0,0,1,0,1|1,0,1]=4 377 B10R1.371 CC1(CN(C1)CC(=O)O)C Z2213893331 [0,0,0,1,0,1|2,0,0]=4 378 B10R1.560 CC1(CC(C(=O)O1)(C)N)C Z2217033064 [0,1,0,1,0,0|1,0,1]=4 379 B10R1.442 CC(C)CC1(CC1)C(=O)O Z1270131184 [0,1,0,1,0,0|1,0,1]=4 380 B10R1.566 CC1(CC(C1)(N)C(=O)O)C Z3048844013 [0,1,0,1,0,0|1,0,1]=4 381 B10R1.566 CC1(CC(C1)(O)C(=O)O)C Z1205497280 [0,1,0,1,0,0|0,0,2]=4 382 B10R1.184 NNC(=O)C(=O)NC1CC1 Z90661297 [0,1,0,1,0,0|2,0,0]=4 383 B10R1.424 COC(=O)C1(CC(C1)C)N Z3689012916 [0,1,0,1,0,0|1,0,1]=4 384 B10R1.30 CC1CCC(=O)C(C1)C=O Z854045786 [0,1,0,1,0,0|1,0,1]=4 385 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,1,0,0|1,0,1]=4 386 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,1,0,0|1,0,1]=4 387 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,1,0,0|1,0,1]=4 388 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,1,0,0|1,0,1]=4 389 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,1,0,0|1,0,1]=4 390 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,1,0,0|1,0,1]=4 391 B10R1.234 CC1CC(C1)(C#N)C(=O)O Z1209445888 [0,1,0,1,0,0|1,0,1]=4 392 B10R1.234 COC1(CC(C1)C)C(=O)O Z1847086517 [0,1,0,1,0,0|0,0,2]=4 393 B10R1.242 CC1(CC1(C#N)C(=O)O)C Z2182005711 [0,1,0,1,0,0|1,0,1]=4 394 B10R1.469 N#C/C(=C/C1CC1)/C(=O)O Z975824826 [0,1,0,1,0,0|1,0,1]=4 395 B10R1.469 NCC(CC1CC1)C(=O)O Z2453099346 [0,1,0,1,0,0|1,0,1]=4 396 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,1,0,1,0,0|1,0,1]=4 397 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,1,0,1,0,0|1,0,1]=4 398 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,1,0,1,0,0|1,0,1]=4 399 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,1,0,1,0,0|1,0,1]=4 400 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,1,0,1,0,0|1,0,1]=4 401 B10R1.490 COC1CC(C1)(N)C(=O)O Z3135795518 [0,1,0,1,0,0|1,0,1]=4 402 B10R1.278 CC(C1CC1)C(N)C(=O)O Z2010010266 [0,1,0,1,0,0|1,0,1]=4 403 B10R2.348 O=C(O)C12CC(C1)CN2 Z199536584 [0,0,0,2,0,0|1,0,1]=4 404 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,2,0,0|1,0,1]=4 405 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,2,0,0|1,0,1]=4 406 B10R2.636 CC12CC(C1)(C2)C(=O)O Z1205494627 [0,0,0,2,0,0|1,0,1]=4 407 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,1|0,0,2]=4 408 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,1|0,0,1]=3 409 B8R0.28 CC(C)CCNC(=O)N Z56904577 [1,0,0,0,0,1|1,0,1]=4 410 B8R0.28 CC(C)CNCC(=O)N Z234894923 [1,0,0,0,0,1|1,0,1]=4 411 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,0,0,0,0,1|0,0,1]=3 412 B8R0.28 CC(C)CSCC(=O)O Z96112845 [1,0,0,0,0,1|0,0,1]=3 413 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,0,0,0,0,1|0,0,1]=3 414 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,0,0,0,0,1|0,0,1]=3 415 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,1|1,0,1]=4 416 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,0,0,0,0,1|1,0,1]=4 417 B10R0.96 CN(C)CC/C(=C/C(=O)O)/Cl Z3771849921 [0,0,0,0,0,2|2,0,0]=4 418 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,0,0,0,0,2|1,0,1]=4 419 B10R0.98 CC(C)CCOC(C)C(=O)O Z316259086 [0,0,0,0,0,2|1,0,1]=4