0 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.2 CC(C)CB(O)O Z1098324138 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,0,0|1,0,1]=2 20 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|0,0,2]=3 29 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|0,0,1]=2 30 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 C=CCC(C)N Z1269638561 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|0,0,1]=2 34 B5R0.1 CC(C)CCO Z104473558 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(C)NC=O Z1201617634 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(N)CCO Z385458430 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|0,0,3]=4 38 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|0,0,1]=2 41 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CN(C)CCO Z104473552 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 CS(=O)CC#N Z1198176972 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 N=C(N)NC=O Z1203578554 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|0,1,1]=3 68 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|1,0,1]=3 69 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|0,0,0]=1 83 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.2 COC(C)CC(=O)O Z431536426 [0,1,0,0,0,0|0,0,2]=3 89 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,0|0,0,2]=3 92 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,0|0,0,2]=3 93 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,0|0,0,2]=3 94 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,1,0,0,0,0|1,0,1]=3 98 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,1,0,0,0,0|0,0,2]=3 101 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,1,0,0,0,0|1,0,1]=3 102 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.9 CS(=O)(=O)CC(=N)N Z1431905458 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,1,0,0,0,0|1,0,0]=2 106 B7R0.9 CS(=O)(=O)CC(=S)N Z803153250 [0,1,0,0,0,0|2,1,0]=4 107 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|1,0,1]=3 113 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|3,0,0]=4 118 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|1,0,1]=3 120 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|1,0,1]=3 124 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|1,0,1]=3 125 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|1,0,1]=3 128 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|1,0,1]=3 129 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|0,0,2]=3 130 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|0,0,2]=3 132 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|0,0,2]=3 133 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|0,0,2]=3 135 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|1,0,0]=2 137 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.2 CC1=CN=C(N1)O Z2630875693 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.2 CC1=COC(=N1)S Z1416179155 [0,0,0,1,0,0|2,1,0]=4 140 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,0,0,1,0,0|2,1,0]=4 141 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.2 CC1=NN=C(S1)O Z1238571569 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.2 CC1=NOC(=C1)N Z118429566 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.2 CC1=NOC(=N1)N Z339356524 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.2 CC1=NOC(=N1)O Z1258992446 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.2 CC1=NOC(=N1)S Z1033258624 [0,0,0,1,0,0|2,1,0]=4 149 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,0,0,1,0,0|2,1,0]=4 156 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,0,0,1,0,0|1,0,1]=3 159 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,0,0,1,0,0|2,1,0]=4 166 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,0,0,1,0,0|1,1,0]=3 168 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,0,0,1,0,0|1,2,0]=4 169 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|1,0,1]=3 173 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|1,0,1]=3 174 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,0,1,0,0|1,0,1]=3 179 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,1,0|1,0,1]=3 180 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [0,0,0,0,1,0|3,0,0]=4 181 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,1,0|0,0,0]=1 182 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,1,0|2,0,1]=4 183 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,1,0|1,0,1]=3 184 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,1,0|2,0,1]=4 185 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,1,0|1,0,1]=3 186 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,1,0|2,0,1]=4 187 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,1,0|1,0,1]=3 188 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,1,0|2,0,1]=4 189 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,1,0|1,0,1]=3 190 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,1,0|1,0,2]=4 191 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,1,0|0,1,1]=3 192 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,1,0|1,0,1]=3 193 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,1,0|2,0,1]=4 194 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,1,0|1,0,1]=3 195 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,1,0|1,0,0]=2 196 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,0,0,0,1,0|2,0,1]=4 197 B5R0.5 O=C(O)C(F)F Z104474070 [0,0,0,0,1,0|2,0,1]=4 198 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,1|0,0,0]=1 199 B7R0.6 CC(=O)NCB(O)O Z1198183387 [0,0,0,0,0,1|1,0,1]=3 200 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,1|0,0,0]=1 201 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,1|1,0,1]=3 202 B7R0.6 CC(=O)NNC(=N)S Z89271887 [0,0,0,0,0,1|2,1,0]=4 203 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,0,0,0,0,1|1,1,0]=3 204 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,0,0,0,0,1|1,0,2]=4 205 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,0,1|1,0,1]=3 206 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,0,0,0,0,1|2,0,1]=4 207 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,0,0,0,0,1|2,0,1]=4 208 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,0,0,0,0,1|1,0,1]=3 209 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,0,1|1,0,1]=3 210 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,0,0,0,0,1|1,0,1]=3 211 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,0,1|1,0,1]=3 212 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,1|0,0,2]=3 213 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,0,0,0,0,1|3,0,0]=4 214 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,0,1|2,0,0]=3 215 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,1|1,0,0]=2 216 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,1|2,0,0]=3 217 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,1|2,0,0]=3 218 B7R0.6 NC(=O)C#CC(=O)N Z1203578096 [0,0,0,0,0,1|2,0,1]=4 219 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,1|1,0,0]=2 220 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,0,0,0,0,1|1,0,1]=3 221 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,1|1,0,0]=2 222 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,0,0,0,0,1|2,0,0]=3 223 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 224 B4R0.1 C=C(Br)CO Z600440434 [2,0,0,0,0,0|1,0,1]=4 225 B4R0.1 C=CC(=C)C Z104474660 [2,0,0,0,0,0|1,0,1]=4 226 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,1]=3 227 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|0,0,0]=2 228 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 229 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 230 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|1,0,0]=3 231 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|0,0,2]=4 232 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 233 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 234 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 235 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 236 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|1,0,1]=4 237 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|1,0,1]=4 238 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 239 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 240 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|1,0,1]=4 241 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|0,0,2]=4 242 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|0,0,2]=4 243 B4R0.1 N=C(N)CO Z1259341033 [2,0,0,0,0,0|2,0,0]=4 244 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 245 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,0]=3 247 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|2,0,0]=4 248 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 250 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 251 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|0,0,1]=3 252 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,2]=4 253 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,1]=4 254 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,1]=4 255 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|0,0,2]=4 256 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|0,0,1]=3 259 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.1 CNC(=O)CC#N Z56945997 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|0,0,1]=3 265 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,1,0,0,0,0|0,0,1]=3 268 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,1,0,0,0,0|1,0,1]=4 269 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|1,0,1]=4 270 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|0,0,2]=4 271 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|0,0,1]=3 273 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|0,0,1]=3 274 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|0,0,1]=3 276 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|0,0,1]=3 277 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|0,0,1]=3 278 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|0,0,1]=3 279 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|1,0,0]=3 280 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|1,0,0]=3 284 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|1,0,0]=3 285 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|0,0,2]=4 286 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|0,1,1]=4 287 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|0,0,2]=4 290 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|0,1,1]=4 291 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|0,0,2]=4 292 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|0,0,2]=4 293 B6R0.4 C#CCNC(=O)C Z220957448 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|1,0,0]=3 295 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|0,0,1]=3 296 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.4 CC(=O)CCC#N Z1251352415 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|0,0,1]=3 302 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|0,0,2]=4 303 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|0,0,1]=3 305 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,1]=3 309 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|0,0,1]=3 310 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|0,0,1]=3 312 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,0,1]=3 314 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|0,0,1]=3 315 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,0,1]=3 316 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|0,0,1]=3 320 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|0,0,1]=3 322 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|0,0,2]=4 323 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,0,1]=3 324 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,1,0,0,1,0|1,0,1]=4 325 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,1,0,0,1,0|1,0,1]=4 326 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,1,0,0,1,0|1,0,1]=4 327 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,1,0,0,1,0|1,0,1]=4 328 B8R0.9 CC(=O)NNC(=O)CCl Z56347435 [0,1,0,0,0,1|2,0,0]=4 329 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,1,0,0,0,1|1,0,1]=4 330 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,0,0,0,1|1,0,1]=4 331 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,0,0,0,1|0,0,0]=2 332 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,0,0,0,1|0,0,0]=2 333 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,0,0,0,1|1,0,1]=4 334 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,1,0,0,0,1|1,0,1]=4 335 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,1,0,0,0,1|1,0,1]=4 336 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,1,0,0,0,1|2,0,0]=4 337 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,1,0,0,0,1|0,0,0]=2 338 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,1,0,0,0,1|1,0,0]=3 339 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,1,0,0,0,1|0,0,0]=2 340 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,1,0,0,0,1|0,0,1]=3 341 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,1,0,0,0,1|0,0,0]=2 342 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,1,0,0,0,1|0,0,0]=2 343 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,1,0,0,0,1|0,0,2]=4 344 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,1,0,0,0,1|0,1,1]=4 345 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,0,0,0,1|0,0,0]=2 346 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,0,0,0,1|0,0,0]=2 347 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,1,0,0,0,1|1,0,1]=4 348 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,1,0,0,0,1|1,0,1]=4 349 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,1|1,0,0]=3 350 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,1,0,0,0,1|1,0,0]=3 351 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,1,0,0,0,1|1,0,1]=4 352 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,1|0,0,0]=2 353 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,0,1|0,0,0]=2 354 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,0,1|0,0,0]=2 355 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,0,1|0,0,0]=2 356 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,1|1,0,1]=4 357 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,1|1,0,1]=4 358 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,1,0,0,0,1|1,0,1]=4 359 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,1|1,0,1]=4 360 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,1|1,0,1]=4 361 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,1|1,0,1]=4 362 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,1|1,0,1]=4 363 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,1,0,0,0,1|1,0,1]=4 364 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,1,0,0,0,1|1,0,1]=4 365 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,1,0,0,0,1|1,0,1]=4 366 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,1,0,0,0,1|1,0,0]=3 367 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,1|1,0,0]=3 368 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,1|2,0,0]=4 369 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,0,0,0,1|2,0,0]=4 370 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,0,1|1,0,0]=3 371 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,0,0,0,1|1,0,1]=4 372 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,1,0,0,0,1|1,0,0]=3 373 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,1,0,0,0,1|2,0,0]=4 374 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,0,0,0,1|2,0,0]=4 375 B8R0.23 CN(CC(=O)O)C(=N)N Z1203577925 [0,1,0,0,0,1|2,0,0]=4 376 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,1,0,0,0,1|1,0,0]=3 377 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,1|1,0,0]=3 378 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,1|1,0,0]=3 379 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,1|1,0,0]=3 380 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,1|1,0,0]=3 381 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,1|1,0,0]=3 382 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,1|1,0,0]=3 383 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,1|1,0,0]=3 384 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,1,0,0,0,1|1,0,1]=4 385 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,0,1|1,0,0]=3 386 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,1|1,0,0]=3 387 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,1|1,0,0]=3 388 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,1|1,0,0]=3 389 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,1|1,0,0]=3 390 B8R0.29 CC(=O)CCS(=O)(=O)C Z992965806 [0,1,0,0,0,1|1,0,1]=4 391 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,1,0,0,0,1|1,0,1]=4 392 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,1,0,0,0,1|1,0,1]=4 393 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,1,0,0,0,1|1,0,1]=4 394 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,1,0,0,0,1|1,0,1]=4 395 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [0,1,0,0,0,1|1,0,1]=4 396 B8R0.29 CS(=O)(=O)/C=C/C(=O)O Z1868430518 [0,1,0,0,0,1|1,0,1]=4 397 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,1,0,0,0,1|1,0,0]=3 398 B8R0.29 CS(=O)(=O)NCC(=O)[O-] Z336481574 [0,1,0,0,0,1|1,0,1]=4 399 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,1,0,0,0,1|2,0,0]=4 400 B8R0.29 NS(=O)(=O)NCC(=O)O Z295879318 [0,1,0,0,0,1|2,0,0]=4 401 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,1,0,0,0,1|2,0,0]=4 402 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,2,0,0,0,0|1,0,1]=4 403 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,2,0,0,0,0|1,0,1]=4 404 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,2,0,0,0,0|1,0,1]=4 406 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,2,0,0,0,0|1,0,1]=4 408 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,2,0,0,0,0|1,0,1]=4 409 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,2,0,0,0,0|0,0,2]=4 410 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.2 COC(=O)C(Br)C(C)Br Z104508924 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [0,2,0,0,0,0|0,0,0]=2 414 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.2 COC(=O)C(N)C(C)O Z1695799434 [0,2,0,0,0,0|0,0,2]=4 416 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)F Z4353916280 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,2,0,0,0,0|0,0,2]=4 418 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,2,0,0,0,0|0,1,1]=4 419 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,2,0,0,0,0|0,1,1]=4 420 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,2,0,0,0,0|0,0,2]=4 421 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl Z147641078 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,2,0,0,0,0|1,0,1]=4 423 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,2,0,0,0,0|1,0,1]=4 425 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,2,0,0,0,0|0,0,2]=4 426 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,2,0,0,0,0|1,0,1]=4 428 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,2,0,0,0,0|1,0,1]=4 429 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,2,0,0,0,0|0,0,0]=2 430 B8R0.5 CCOC(=O)CC(=S)N Z94602417 [0,2,0,0,0,0|1,1,0]=4 431 B8R0.5 CCOC(=O)C[N+](=O)[O-] Z431554230 [0,2,0,0,0,0|1,0,1]=4 432 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,2,0,0,0,0|0,0,2]=4 433 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,2,0,0,0,0|0,0,2]=4 434 B8R0.5 NC(=O)NC(=O)CCCl Z196931012 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,2,0,0,0,0|1,0,1]=4 436 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,2,0,0,0,0|1,0,1]=4 437 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,2,0,0,0,0|0,0,2]=4 440 B8R0.19 C=CC(=O)NC(=O)NC Z235362893 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,2,0,0,0,0|0,1,1]=4 443 B8R0.19 COC(=O)NC(=O)CCl Z57014427 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.19 COC(=O)NC(=O)CI Z1250132865 [0,2,0,0,0,0|1,0,0]=3 445 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [0,2,0,0,0,0|1,0,1]=4 446 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [0,2,0,0,0,0|0,0,2]=4 447 B8R0.24 O=C(CP(=O)(O)O)NO Z1999520090 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,2,0,0,0,0|1,0,1]=4 450 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,2,0,0,0,0|1,0,1]=4 451 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,2,0,0,0,0|0,0,2]=4 452 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,2,0,0,0,0|1,0,1]=4 453 B8R0.34 CCS(=O)(=O)CC(=O)C Z1192378722 [0,2,0,0,0,0|1,0,1]=4 454 B8R0.34 CCS(=O)(=O)CC(=O)N Z417003926 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,2,0,0,0,0|1,0,0]=3 456 B8R0.34 CNS(=O)(=O)CC(=O)C Z1513623488 [0,2,0,0,0,0|1,0,1]=4 457 B8R0.34 CNS(=O)(=O)CC(=O)O Z351064480 [0,2,0,0,0,0|1,0,0]=3 458 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,2,0,0,0,0|0,0,2]=4 459 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,2,0,0,0,0|1,0,1]=4 461 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,2,0,0,0,0|2,0,0]=4 463 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|1,0,1]=4 464 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,2,0,0,0,0|1,0,1]=4 465 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|1,0,1]=4 466 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|0,0,2]=4 467 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|0,0,2]=4 468 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|0,1,1]=4 469 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|0,1,1]=4 470 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|0,1,1]=4 471 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,2,0,0,0,0|1,0,0]=3 472 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|1,0,1]=4 473 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|1,0,1]=4 474 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,2,0,0,0,0|1,0,0]=3 475 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,2,0,0,0,0|1,0,0]=3 478 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|1,0,1]=4 479 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|1,0,1]=4 480 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,2,0,0,0,0|1,0,0]=3 481 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|0,0,2]=4 482 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|0,0,2]=4 483 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.37 NC(=O)C(F)(F)C(=O)N Z1203578477 [0,2,0,0,0,0|2,0,0]=4 485 B6R1.2 C=C1CNOC1 Z3037884222 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.2 CC1=COC=N1 Z1198313432 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,1]=3 488 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,1]=4 489 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|1,0,1]=4 490 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|0,1,1]=4 491 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,1]=4 492 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,1]=4 493 B6R1.3 O=CCC1CC1 Z905066058 [1,0,0,1,0,0|1,0,1]=4 494 B6R1.8 CC1CC1C=O Z1079442440 [1,0,0,1,0,0|1,0,1]=4 495 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [1,0,0,1,0,0|1,0,1]=4 496 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [1,0,0,1,0,0|1,0,1]=4 497 B6R1.8 O=CC1CC1Cl Z1262480603 [1,0,0,1,0,0|1,0,1]=4 498 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [1,0,0,1,0,0|1,0,1]=4 499 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,1,0,1|2,0,0]=4 500 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,0,0,1,0,1|1,0,0]=3 501 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,1,0,1|1,0,0]=3 502 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,0,0,1,0,1|2,0,0]=4 503 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,0,0,1,0,1|1,0,0]=3 504 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,0,1|0,0,0]=2 505 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,1,0,1|1,0,1]=4 506 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,1,0,1|2,0,0]=4 507 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,0,0,1,0,1|1,0,0]=3 508 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,1,0,1|1,0,1]=4 509 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,1|0,0,0]=2 510 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,0,0,1,0,1|1,0,1]=4 511 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,0,0,1,0,1|1,0,1]=4 512 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,0,0,1,0,1|1,0,1]=4 513 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,0,0,1,0,1|1,0,1]=4 514 B8R1.1 CC1=COC(=C1)C=O Z1255374618 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.1 CC1=COC(=N1)C=O Z1198279988 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.1 CC1=NOC(=C1)C=O Z1079442828 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.1 NCC1=NC(=O)ON1 Z1497158708 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,1,0,0|0,0,2]=4 521 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,1,0,1,0,0|1,1,0]=4 526 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,1,0,1,0,0|0,1,0]=3 529 B8R1.4 O=C1NCNC(=O)N1 Z147642476 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.18 CN1NC(=N)CC1=O Z1197987885 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.40 COC(=O)CC1CC1 Z380123290 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|0,0,2]=4 548 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,1,0,1,0,0|0,0,1]=3 553 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,1,0,1,0,0|0,0,1]=3 554 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,1,0,1,0,0|1,0,0]=3 558 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,1,0,0|1,0,0]=3 561 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [0,1,0,1,0,0|1,0,1]=4 563 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|1,0,1]=4 566 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,2|1,0,0]=3 567 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,2|0,0,0]=2 568 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [0,0,0,0,0,2|0,0,1]=3 569 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,2|0,0,0]=2 570 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,2|0,0,0]=2 571 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,0,0,0,2|1,0,1]=4 572 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,0,0,0,0,2|1,0,1]=4 573 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,0,0,0,0,2|1,0,1]=4 574 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,0,0,0,0,2|1,0,1]=4 575 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,0,0,0,0,2|1,0,1]=4 576 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,0,0,0,2|1,0,1]=4 577 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,0,0,0,0,2|1,0,1]=4 578 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,0,0,0,0,2|2,0,0]=4 579 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,0,0,0,0,2|1,0,0]=3 580 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [0,0,0,0,0,2|2,0,0]=4 581 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,0,0,0,2|1,0,0]=3 582 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,0,0,0,0,2|1,0,0]=3 583 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,0,0,0,0,2|1,0,0]=3 584 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,0,0,0,0,2|1,0,0]=3 585 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,0,0,0,0,2|1,0,0]=3 586 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,0,0,0,0,2|1,0,0]=3 587 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,0,0,0,0,2|1,0,0]=3