0 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,0|2,0,0]=2 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|2,0,1]=3 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)CC(=N)N Z1346385639 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,0,0|1,0,1]=2 19 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.2 N=C(N)NC(=N)N Z2574927435 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,0|0,0,0]=0 24 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,0,0,0,0|2,0,0]=2 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|1,0,1]=3 29 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|1,0,1]=3 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|1,0,1]=3 34 B5R0.1 CC(N)CCO Z385458430 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.1 N#CCC(=N)N Z1198223505 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|0,0,2]=3 53 B5R0.1 N#CCC(=S)N Z57046941 [1,0,0,0,0,0|1,1,1]=4 54 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.1 N=C(N)NC=O Z1203578554 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|0,0,1]=2 57 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|0,0,1]=2 59 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|0,1,1]=3 63 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,0|1,0,1]=3 71 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|0,0,0]=1 75 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.2 COC(C)CC(=O)O Z431536426 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,0|0,0,2]=3 84 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,0|0,0,2]=3 85 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,0|0,0,2]=3 86 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.9 CS(=O)(=O)CC(=N)N Z1431905458 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.9 CS(=O)(=O)CC(=S)N Z803153250 [0,1,0,0,0,0|1,1,1]=4 98 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|1,0,1]=3 119 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|1,0,2]=4 120 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|1,0,0]=2 127 B7R1.2 CC1=CC(=NO1)N Z104503828 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,1,0,0|1,0,1]=3 129 B7R1.2 CC1=NC(=NO1)N Z1147462977 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.2 NC1=CSC(=N1)O Z1033300716 [0,0,0,1,0,0|2,1,0]=4 140 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,0,0,1,0,0|2,1,0]=4 141 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.2 NC1=NN=C(N1)O Z1869802420 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.2 NC1=NN=C(S1)O Z1824511386 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,0,0,1,0,0|1,0,0]=2 148 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,0|1,0,1]=3 149 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,0,0,1,0,0|2,1,0]=4 153 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,0,0,1,0,0|2,1,0]=4 155 B7R1.2 O=C1N=C(NN1)S Z1723849188 [0,0,0,1,0,0|2,1,0]=4 156 B7R1.2 O=C1NC=C(S1)Cl Z1270529019 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,0,1,0,0|2,0,1]=4 164 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,1,0|2,0,0]=3 165 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,1,0|1,0,0]=2 166 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,1,0|2,0,1]=4 167 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,1,0|2,0,1]=4 168 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,1,0|2,0,1]=4 169 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,1,0|2,0,1]=4 170 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,1,0|2,0,1]=4 171 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,1,0|2,0,1]=4 172 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,1,0|2,0,1]=4 173 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,1,0|1,0,1]=3 174 B5R0.5 CC(O)C(=N)N Z2216711526 [0,0,0,0,1,0|2,0,1]=4 175 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,1,0|1,0,1]=3 176 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,1,0|1,1,1]=4 177 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,1,0|1,0,1]=3 178 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,1,0|2,0,1]=4 179 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,1,0|1,0,1]=3 180 B5R0.5 NC(=O)C(F)F Z33546481 [0,0,0,0,1,0|2,0,1]=4 181 B5R0.5 NC(=S)C(=S)N Z56347000 [0,0,0,0,1,0|1,2,0]=4 182 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,1,0|1,0,0]=2 183 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,0,0,0,1,0|2,0,1]=4 184 B5R0.5 O=C(O)C(F)F Z104474070 [0,0,0,0,1,0|2,0,1]=4 185 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,1|1,0,0]=2 186 B7R0.6 CC(=O)NCB(O)O Z1198183387 [0,0,0,0,0,1|2,0,1]=4 187 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,1|1,0,0]=2 188 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,1|2,0,1]=4 189 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,0,0,0,0,1|1,1,0]=3 190 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,0,1|2,0,1]=4 191 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,0,0,0,0,1|2,0,1]=4 192 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,0,0,0,0,1|2,0,1]=4 193 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,0,0,0,0,1|2,0,1]=4 194 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,0,1|2,0,1]=4 195 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,0,0,0,0,1|2,0,1]=4 196 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,0,1|1,0,1]=3 197 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,1|1,0,2]=4 198 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,0,0,0,0,1|3,0,0]=4 199 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,0,1|3,0,0]=4 200 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,1|2,0,0]=3 201 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,1|1,0,0]=2 202 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,1|1,0,0]=2 203 B7R0.6 NC(=O)C#CC(=O)N Z1203578096 [0,0,0,0,0,1|1,0,1]=3 204 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,1|0,0,0]=1 205 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,0,0,0,0,1|1,0,1]=3 206 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,1|1,0,0]=2 207 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,0,0,0,0,1|2,0,0]=3 208 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 209 B4R0.1 C=C(Br)CN Z600439032 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 C=C(Br)CO Z600440434 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,1]=3 212 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,0]=3 213 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 214 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,1]=4 217 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|1,0,1]=4 218 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|0,0,1]=3 219 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,1]=3 220 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|0,1,1]=4 221 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|1,0,1]=4 222 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|1,0,1]=4 224 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,1]=4 225 B4R0.1 N=C(N)CCl Z204878288 [2,0,0,0,0,0|2,0,0]=4 226 B4R0.1 N=C(N)CN Z3798800325 [2,0,0,0,0,0|2,0,0]=4 227 B4R0.1 N=C(N)CO Z1259341033 [2,0,0,0,0,0|1,0,0]=3 228 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|1,0,0]=3 229 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|1,0,0]=3 230 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|0,0,0]=2 231 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|1,0,0]=3 232 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|1,0,0]=3 233 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|0,0,0]=2 234 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|2,0,0]=4 235 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 236 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|0,0,1]=3 237 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|0,0,2]=4 238 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,1]=4 240 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.1 CNC(=O)CC#N Z56945997 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|0,0,1]=3 245 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.1 N#CCC(=O)NN Z104474618 [1,1,0,0,0,0|1,0,1]=4 248 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,1,0,0,0,0|0,0,2]=4 250 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|0,0,1]=3 251 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|0,0,2]=4 252 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.3 CN(N=O)C(=O)N Z104475776 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.3 N#CC(Br)C(=O)N Z431988688 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|0,0,2]=4 268 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|0,1,1]=4 269 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|0,0,1]=3 270 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,1,0,0,0,0|1,0,1]=4 271 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|0,0,1]=3 272 B6R0.3 NNC(=O)C(=O)O Z3068042919 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|0,0,2]=4 274 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|0,1,1]=4 275 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|0,0,2]=4 276 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.4 C#CCNC(=O)N Z198194920 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.4 C#CCOC(=O)N Z1203578973 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|1,0,0]=3 281 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|1,0,0]=3 283 B6R0.4 C=CCNC(=S)N Z56911918 [1,1,0,0,0,0|1,1,0]=4 284 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.4 COCCC(=N)N Z1592042674 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|0,0,1]=3 296 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,0,2]=4 297 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|0,1,1]=4 298 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,1,1]=4 299 B6R0.4 N#CCCC(=O)N Z57160408 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.4 N#CCNC(=O)N Z600498544 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.4 N=C(N)NCCO Z911465228 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.4 N=C(N)SCCO Z57111959 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|0,0,1]=3 304 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|0,0,1]=3 306 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|0,0,1]=3 308 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|0,0,2]=4 312 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,1,1]=4 313 B6R0.5 NCCS(=O)(=O)O Z248489432 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.5 NS(=O)(=O)CCO Z1267897807 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,1,0,0,1,0|1,0,1]=4 316 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,1,0,0,0,1|1,0,1]=4 317 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,0,0,0,1|1,0,1]=4 318 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,0,0,0,1|1,0,0]=3 319 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,0,0,0,1|1,0,0]=3 320 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,1,0,0,0,1|0,0,0]=2 321 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,1,0,0,0,1|1,0,0]=3 322 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,1,0,0,0,1|0,0,0]=2 323 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,1,0,0,0,1|1,0,1]=4 324 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,1,0,0,0,1|1,0,0]=3 325 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,1,0,0,0,1|1,0,0]=3 326 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,0,0,0,1|0,0,0]=2 327 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,0,0,0,1|0,0,0]=2 328 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,1,0,0,0,1|1,0,1]=4 329 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,1,0,0,0,1|1,0,1]=4 330 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,1|2,0,0]=4 331 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,1,0,0,0,1|1,0,0]=3 332 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,1,0,0,0,1|2,0,0]=4 333 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,1|1,0,0]=3 334 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,0,1|1,0,0]=3 335 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,0,1|1,0,0]=3 336 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,0,1|1,0,0]=3 337 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,1,0,0,0,1|0,0,0]=2 338 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,1|0,0,0]=2 339 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,0,1|2,0,0]=4 340 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,0,0,0,1|1,0,1]=4 341 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,1,0,0,0,1|0,0,0]=2 342 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,1,0,0,0,1|1,0,1]=4 343 B8R0.23 CN(CC(=O)O)C(=N)N Z1203577925 [0,1,0,0,0,1|1,0,0]=3 344 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,1,0,0,0,1|0,0,0]=2 345 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,1|0,0,0]=2 346 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,1|0,0,0]=2 347 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,1|0,0,0]=2 348 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,1|0,0,0]=2 349 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,1|1,0,0]=3 350 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,1|1,0,0]=3 351 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,1|1,0,0]=3 352 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,1,0,0,0,1|1,0,1]=4 353 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,0,1|1,0,0]=3 354 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,1|1,0,0]=3 355 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,1|1,0,0]=3 356 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,1|1,0,0]=3 357 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,1|1,0,0]=3 358 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,1,0,0,0,1|1,0,1]=4 359 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,1,0,0,0,1|2,0,0]=4 360 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,1,0,0,0,1|1,0,0]=3 361 B8R0.29 NS(=O)(=O)NCC(=O)O Z295879318 [0,1,0,0,0,1|1,0,0]=3 362 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,1,0,0,0,1|2,0,0]=4 363 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,2,0,0,0,0|1,0,1]=4 364 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,2,0,0,0,0|0,0,2]=4 366 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl Z147641078 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,2,0,0,0,0|1,0,1]=4 368 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,2,0,0,0,0|1,0,1]=4 369 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,2,0,0,0,0|1,0,0]=3 371 B8R0.5 CCOC(=O)CC(=S)N Z94602417 [0,2,0,0,0,0|0,1,0]=3 372 B8R0.5 CCOC(=O)C[N+](=O)[O-] Z431554230 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.5 NC(=O)NC(=O)CCCl Z196931012 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,2,0,0,0,0|1,0,1]=4 375 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,2,0,0,0,0|0,0,2]=4 376 B8R0.19 C=CC(=O)NC(=O)NC Z235362893 [0,2,0,0,0,0|2,0,0]=4 377 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.19 COC(=O)NC(=O)CCl Z57014427 [0,2,0,0,0,0|2,0,0]=4 379 B8R0.19 COC(=O)NC(=O)CI Z1250132865 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [0,2,0,0,0,0|1,0,1]=4 381 B8R0.24 O=C(CP(=O)(O)O)NO Z1999520090 [0,2,0,0,0,0|1,0,0]=3 382 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,2,0,0,0,0|1,0,1]=4 383 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,2,0,0,0,0|0,0,2]=4 384 B8R0.34 CCS(=O)(=O)CC(=O)N Z417003926 [0,2,0,0,0,0|1,0,1]=4 385 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.34 CNS(=O)(=O)CC(=O)C Z1513623488 [0,2,0,0,0,0|2,0,0]=4 387 B8R0.34 CNS(=O)(=O)CC(=O)O Z351064480 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,2,0,0,0,0|2,0,0]=4 392 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,2,0,0,0,0|0,0,0]=2 393 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.37 NC(=O)C(F)(F)C(=O)N Z1203578477 [0,2,0,0,0,0|1,0,0]=3 395 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,1,0,0|1,0,1]=4 397 B6R1.2 O=C1C=CSN1 Z1741980421 [1,0,0,1,0,0|0,1,1]=4 398 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,1]=4 399 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|1,0,1]=4 400 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|1,0,1]=4 401 B6R1.2 O=C1NC=CN1 Z1198148260 [1,0,0,1,0,0|2,0,0]=4 402 B6R1.2 O=C1NC=CS1 Z445210514 [1,0,0,1,0,0|2,0,0]=4 403 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,1,0,1|2,0,0]=4 404 B8R1.3 O=C1C=CC(=O)NN1 Z57032544 [0,0,0,1,0,1|1,0,1]=4 405 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,0,0,1,0,1|2,0,0]=4 406 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,1,0,1|1,0,0]=3 407 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,0,0,1,0,1|1,0,0]=3 408 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,0,1|1,0,0]=3 409 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,0,0,1,0,1|1,0,1]=4 410 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,0,0,1,0,1|1,0,0]=3 411 B8R1.23 NC(=O)N1CC(C1)O Z1090111906 [0,0,0,1,0,1|1,0,1]=4 412 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,1,0,1|1,0,1]=4 413 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,1|1,0,0]=3 414 B8R1.1 COC1=CC(=O)NC1 Z1203730872 [0,1,0,1,0,0|1,0,1]=4 415 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,1,0,0|1,0,1]=4 416 B8R1.1 NCC1=NC(=O)ON1 Z1497158708 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|1,0,1]=4 418 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|1,0,1]=4 419 B8R1.4 O=C1C=C(C=NN1)O Z1198169122 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.4 O=C1C=CNC(=O)N1 Z56889474 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.4 O=C1C=NNC(=O)N1 Z276509088 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,1,0,1,0,0|1,1,0]=4 427 B8R1.4 O=C1NCNC(=O)N1 Z147642476 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.18 CN1NC(=N)CC1=O Z1197987885 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.50 CN1C(=O)NNC1=O Z1117899218 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|1,0,1]=4 447 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,2|2,0,0]=4 448 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,2|1,0,0]=3 449 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [0,0,0,0,0,2|1,0,1]=4 450 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,2|1,0,0]=3 451 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,2|1,0,0]=3 452 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,0,0,0,2|1,0,1]=4 453 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,0,0,0,0,2|1,0,1]=4 454 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,0,0,0,0,2|1,0,0]=3 455 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,0,0,0,0,2|0,0,0]=2 456 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [0,0,0,0,0,2|1,0,0]=3 457 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,0,0,0,2|0,0,0]=2 458 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,0,0,0,0,2|0,0,0]=2 459 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,0,0,0,0,2|0,0,0]=2 460 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,0,0,0,0,2|1,0,0]=3 461 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,0,0,0,0,2|1,0,0]=3 462 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,0,0,0,0,2|1,0,0]=3 463 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,0,0,0,0,2|1,0,0]=3