0 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,0,0|1,0,1]=2 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|3,0,1]=4 5 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 CC(C)CB(O)O Z1098324138 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.2 CC(C)NC(=S)N Z56979374 [0,0,0,0,0,0|2,1,0]=3 15 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,0,0|0,0,0]=0 19 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 C=CCC(C)N Z1269638561 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.1 CC(=CCN)C Z1827897919 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 CC(C)CC#N Z104473272 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 CC(C)CCO Z104473558 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 CC(C)NC=O Z1201617634 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CN(C)CCF Z5487577684 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 CN(C)CCO Z104473552 [1,0,0,0,0,0|0,0,2]=3 49 B5R0.1 CN(C)CCS Z362025514 [1,0,0,0,0,0|0,1,1]=3 50 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|0,0,0]=1 51 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.1 CNCC(C)C Z951367674 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CNCC(C)N Z1413780485 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.1 CNCC(F)F Z1259341074 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 COC[C@@H](C)N Z1270482298 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 COC[C@H](C)N Z1270502316 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 N#CCC(=N)N Z1198223505 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 N#CCC(=S)N Z57046941 [1,0,0,0,0,0|2,1,0]=4 70 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.2 CC(C)CC(N)C#N Z449369050 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.2 CC(C)CC(N)CN Z425861052 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.2 CC(C)CC(N)CO Z734151210 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.2 CC(C)NC(=S)NN Z56851229 [0,1,0,0,0,0|2,1,0]=4 87 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.2 CC(CN)CN(C)C Z406338972 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,1,0,0,0,0|2,1,0]=4 96 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,1,0,0,0,0|0,0,1]=2 99 B7R0.2 CN(C)CC(N)CO Z2092369044 [0,1,0,0,0,0|0,0,2]=3 100 B7R0.2 CN(C)CC(O)CN Z270894906 [0,1,0,0,0,0|0,0,2]=3 101 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,1,0,0,0,0|1,0,0]=2 108 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.2 COC(C)CC(=O)O Z431536426 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [0,1,0,0,0,0|2,1,0]=4 120 B7R0.9 CC(C)(C)SC(=N)N Z3243719680 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.9 CC(N)CC(C)(C)C Z1171199384 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.9 CC(N)CC(C)(C)O Z2235409221 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.9 CN(C)CC(C)(C)N Z2284400097 [0,1,0,0,0,0|1,0,1]=3 130 B7R0.9 CN(C)CC(C)(C)O Z2235790912 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,1,0,0,0,0|2,1,0]=4 132 B7R0.9 CS(=O)(=O)CC(=N)N Z1431905458 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.9 CS(=O)(=O)CC(=S)N Z803153250 [0,1,0,0,0,0|2,1,0]=4 135 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|3,0,0]=4 140 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|0,0,0]=1 143 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|2,0,0]=3 146 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|1,0,0]=2 147 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.16 CC(C)C(O)C(C)N Z975823338 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|2,0,0]=3 154 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|3,0,0]=4 156 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|1,0,0]=2 157 B7R0.16 C[C@@H](N)C(=O)N(C)C Z1357774240 [0,1,0,0,0,0|1,0,2]=4 158 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|1,0,0]=2 161 B7R0.16 C[C@H](N)C(=O)N(C)C Z1562155926 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,0|3,0,0]=4 164 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,0,0,1,0,0|3,0,0]=4 173 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.2 CC1CNC(C1)C Z1250222491 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.2 CN1C=C(C=N1)N Z1741968059 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.2 CN1C=C(N=N1)N Z2177030666 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.2 CN1C=NC(=C1)N Z2472857442 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.2 CN1C=NC(=N1)N Z57466217 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,0,0,1,0,0|1,0,2]=4 184 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,0|1,0,0]=2 186 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.2 CN1N=NC(=N1)N Z1198158669 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|1,0,0]=2 195 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,0,0,1,0,0|1,0,0]=2 199 B7R1.16 CC1CC(C1)(C)N Z3034505681 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.16 CC1CC(N1)(C)C Z803145478 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.16 CN1CC(C1)(C)N Z1945700468 [0,0,0,1,0,0|1,0,1]=3 202 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,0,1,0,0|1,0,0]=2 205 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,0,0,1,0,0|2,1,0]=4 207 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.32 CC1(CC1(C)N)C Z2528325599 [0,0,0,1,0,0|2,0,1]=4 209 B5R0.5 CC(=N)N(C)C Z1428159819 [0,0,0,0,1,0|1,0,1]=3 210 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,1,0|3,0,0]=4 211 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,1,0|3,0,0]=4 212 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,1,0|3,0,0]=4 213 B5R0.5 CC(C)C(=N)N Z381357616 [0,0,0,0,1,0|2,0,0]=3 214 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,1,0|1,0,0]=2 215 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,1,0|2,0,0]=3 216 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,0,0,0,1,0|3,0,0]=4 217 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,1,0|2,0,0]=3 218 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,1,0|3,0,0]=4 219 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,1,0|2,0,0]=3 220 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,1,0|3,0,0]=4 221 B5R0.5 CC(O)C(=N)N Z2216711526 [0,0,0,0,1,0|3,0,0]=4 222 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,1,0|2,0,0]=3 223 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,1,0|3,0,0]=4 224 B5R0.5 CN(C)C(=N)N Z1839480548 [0,0,0,0,1,0|1,0,0]=2 225 B5R0.5 CN(C)C(=S)N Z56347524 [0,0,0,0,1,0|0,1,0]=2 226 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,1,0|3,0,0]=4 227 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,1,0|2,0,0]=3 228 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,1,0|3,0,0]=4 229 B5R0.5 NC(=O)C(F)F Z33546481 [0,0,0,0,1,0|3,0,0]=4 230 B7R0.6 CC(=NNC(=S)N)C Z57128338 [0,0,0,0,0,1|2,1,0]=4 231 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,1|3,0,0]=4 232 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,1|3,0,0]=4 233 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,1|3,0,0]=4 234 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,0,0,0,0,1|2,1,0]=4 235 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,0,0,0,0,1|2,0,1]=4 236 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,0,0,0,0,1|2,0,0]=3 237 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,0,1|2,0,0]=3 238 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,0,0,0,0,1|1,0,0]=2 239 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,0,0,0,0,1|1,0,0]=2 240 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,0,0,0,0,1|2,0,0]=3 241 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,0,0,0,0,1|2,0,0]=3 242 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,0,1|2,0,0]=3 243 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,0,0,0,0,1|2,0,0]=3 244 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,0,1|3,0,0]=4 245 B7R0.6 CC(N)CCN(C)C Z316119490 [0,0,0,0,0,1|1,0,1]=3 246 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,1|3,0,0]=4 247 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,0,0,0,0,1|1,0,0]=2 248 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,0,0,0,0,1|0,0,0]=1 249 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,0,1|1,0,0]=2 250 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,0,0,0,0,1|0,1,0]=2 251 B7R0.6 CN(C)CCN(C)C Z56755629 [0,0,0,0,0,1|3,0,0]=4 252 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,1|3,0,0]=4 253 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,1|3,0,0]=4 254 B4R0.1 C=C(Br)CN Z600439032 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 257 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.1 CC(F)CN Z2941405027 [2,0,0,0,0,0|2,0,0]=4 260 B4R0.1 CC(N)CN Z104474490 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|1,0,0]=3 263 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|0,0,0]=2 264 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,0]=3 265 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|0,1,0]=3 266 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.1 CN(C)C#N Z1255394988 [2,0,0,0,0,0|0,0,2]=4 268 B4R0.1 CN(C)N=O Z1255485177 [2,0,0,0,0,0|1,0,0]=3 269 B4R0.1 CNC(=N)C Z2146515751 [2,0,0,0,0,0|1,0,1]=4 270 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|1,0,0]=3 271 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|0,0,0]=2 272 B4R0.1 COC(=N)N Z1741976783 [2,0,0,0,0,0|2,0,0]=4 273 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|1,0,0]=3 274 B4R0.1 CSC(=N)N Z1741980405 [2,0,0,0,0,0|2,0,0]=4 275 B4R0.1 C[C@@H](N)CN Z3234812272 [2,0,0,0,0,0|1,0,1]=4 276 B4R0.1 C[C@H](N)CN Z1741977335 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.1 N=C(N)CCl Z204878288 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 N=C(N)CN Z3798800325 [2,0,0,0,0,0|1,0,0]=3 280 B4R0.1 N=C(N)CO Z1259341033 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.1 N=C(N)NN Z1259217988 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|1,0,0]=3 283 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|1,0,0]=3 284 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,0]=3 285 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|1,0,0]=3 286 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|0,0,0]=2 287 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 288 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|1,0,0]=3 289 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 292 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.2 CNCC#N Z1262250834 [2,0,0,0,0,0|0,0,2]=4 294 B6R0.1 CC(CO)CCN Z5410631465 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.1 CNC(=O)CC#N Z56945997 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|0,0,0]=2 306 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,0]=3 307 B6R0.1 COC(C)CCN Z802903932 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.1 CSC(C)CCN Z732208464 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.1 N#CCC(=O)NN Z104474618 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.3 C#CC(C)N(C)C Z4928730999 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.3 CC(C)C(C)CN Z415654990 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.3 CC(C)C(N)CN Z1266933925 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.3 CC(C)C(O)CN Z1255523288 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.3 CC(C)N(C)C=O Z1258520821 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.3 CC(CN)N(C)C Z367452450 [1,1,0,0,0,0|0,0,1]=3 316 B6R0.3 CCC(C)C(=N)N Z823287482 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.3 CN(C)C(=N)CN Z220638406 [1,1,0,0,0,0|0,0,2]=4 326 B6R0.3 CN(C)C(=O)CN Z54751082 [1,1,0,0,0,0|0,0,2]=4 327 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|0,0,0]=2 329 B6R0.3 COC(C)C(=N)N Z1365534351 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.3 CSC(C)C(=N)N Z5622504221 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.3 N#CC(Br)C(=O)N Z431988688 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.4 C#CCNC(=O)N Z198194920 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.4 C#CCOC(=O)N Z1203578973 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.4 C=CCNC(C)C Z607822478 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.4 C=COCC(C)C Z916978390 [1,1,0,0,0,0|2,0,0]=4 342 B6R0.4 CC(C)CCCN Z992716898 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.4 CC(C)NCCN Z3375885739 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.4 CC(C)OCCN Z1688198421 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.4 CC(C)SCCN Z2092369402 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.4 CCCCC(=N)N Z1723418909 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.4 CCCNC(=S)N Z56930715 [1,1,0,0,0,0|1,1,0]=4 351 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|0,0,0]=2 353 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.4 CN(C)CCC#N Z57980324 [1,1,0,0,0,0|0,0,2]=4 356 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,0]=3 357 B6R0.4 CNCCC(C)C Z607822512 [1,1,0,0,0,0|1,0,1]=4 358 B6R0.4 CNCCN(C)C Z138123106 [1,1,0,0,0,0|0,0,1]=3 359 B6R0.4 COCCC(=N)N Z1592042674 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.4 COCCN(C)C Z5121096537 [1,1,0,0,0,0|0,0,2]=4 364 B6R0.4 CSCCC(=N)N Z1266823407 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.4 N#CCCC(=O)N Z57160408 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.4 N#CCNC(=O)N Z600498544 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,0]=3 369 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|1,0,0]=3 372 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.5 CC(C)(F)CCN Z2515207542 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.5 CC(C)(N)CCN Z2218555716 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,1,0,0,1,0|2,0,0]=4 379 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,1,0,0,1,0|1,0,0]=3 380 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,1,0,0,1,0|2,0,0]=4 381 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,1,0,0,1,0|1,0,0]=3 382 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,1,0,0,1,0|1,1,0]=4 383 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,1,0,0,1,0|2,0,0]=4 384 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,1,0,0,1,0|1,0,0]=3 385 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,1,0,0,1,0|2,0,0]=4 386 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,1,0,0,1,0|2,0,0]=4 387 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,1,0,0,1,0|2,0,0]=4 388 B6R0.7 CN(C)S(=O)(=O)Cl Z270760636 [0,1,0,0,1,0|2,0,0]=4 389 B6R0.7 CN(C)S(=O)(=O)N Z300114482 [0,1,0,0,1,0|1,0,0]=3 390 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [0,1,0,0,0,1|1,0,1]=4 391 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,1,0,0,0,1|1,0,0]=3 392 B8R0.9 CC(C)CNC(=O)CCl Z56887734 [0,1,0,0,0,1|2,0,0]=4 393 B8R0.9 CC(C)CNC(=O)CN Z1262246246 [0,1,0,0,0,1|1,0,0]=3 394 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,0,0,0,1|2,0,0]=4 395 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,1,0,0,0,1|2,0,0]=4 396 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,0,0,0,1|2,0,0]=4 397 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,1,0,0,0,1|2,0,0]=4 398 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,1,0,0,0,1|2,0,0]=4 399 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,1,0,0,0,1|1,0,0]=3 400 B8R0.9 CN(C)CCC(=O)NN Z56959747 [0,1,0,0,0,1|0,0,0]=2 401 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,1,0,0,0,1|2,0,0]=4 402 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,1,0,0,0,1|2,0,0]=4 403 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,1,0,0,0,1|2,0,0]=4 404 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,1,0,0,0,1|2,0,0]=4 405 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,1,0,0,0,1|1,0,0]=3 406 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,1|2,0,0]=4 407 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,1|2,0,0]=4 408 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,1,0,0,0,1|2,0,0]=4 409 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,1|2,0,0]=4 410 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,1|2,0,0]=4 411 B8R0.23 CC(C)CN(C)C(=N)N Z2526714360 [0,1,0,0,0,1|2,0,0]=4 412 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,1|2,0,0]=4 413 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,1|2,0,0]=4 414 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,1,0,0,0,1|2,0,0]=4 415 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,1,0,0,0,1|2,0,0]=4 416 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,1,0,0,0,1|2,0,0]=4 417 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,1|1,0,0]=3 418 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,0,0,0,1|1,0,0]=3 419 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,1,0,0,0,1|2,0,0]=4 420 B8R0.23 CN(C)/C(=N/C(=N)N)/N Z2244578658 [0,1,0,0,0,1|1,0,1]=4 421 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,1,0,0,0,1|1,0,0]=3 422 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,0,0,0,1|1,0,0]=3 423 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,1,0,0,0,1|2,0,0]=4 424 B8R0.29 CC(C)(C)CCC(=N)N Z3481620976 [0,1,0,0,0,1|2,0,0]=4 425 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,1,0,0,0,1|2,0,0]=4 426 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [0,1,0,0,0,1|1,0,0]=3 427 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [0,1,0,0,0,1|1,0,0]=3 428 B8R0.29 CC(C)(C)OCC(=N)N Z1718361941 [0,1,0,0,0,1|2,0,0]=4 429 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,1,0,0,0,1|2,0,0]=4 430 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,1,0,0,0,1|2,0,0]=4 431 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,1,0,0,0,1|2,0,0]=4 432 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [0,1,0,0,0,1|1,0,0]=3 433 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,1,0,0,0,1|2,0,0]=4 434 B8R0.29 CC(C)CCS(=O)(=O)N Z734461454 [0,1,0,0,0,1|2,0,0]=4 435 B8R0.29 CN(C)CCC(C)(C)N Z3178894903 [0,1,0,0,0,1|1,0,1]=4 436 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,2,0,0,0,0|1,0,0]=3 439 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.2 CNC(=O)C(N)C(C)C Z1449756432 [0,2,0,0,0,0|1,0,0]=3 445 B8R0.2 CNC(=O)[C@@H](N)C(C)C Z1449756441 [0,2,0,0,0,0|1,0,0]=3 446 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.5 CC(C)CC(=O)CC#N Z360167452 [0,2,0,0,0,0|1,0,1]=4 451 B8R0.5 CC(C)NC(=O)CCN Z426041532 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,2,0,0,0,0|1,0,0]=3 456 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.5 CCNC(C)CN(C)C Z854111922 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.5 CNCC(=O)NC(C)C Z46191420 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.5 CNCC(O)CN(C)C Z330820128 [0,2,0,0,0,0|0,0,2]=4 461 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.5 COCC(C)NC(=O)N Z56989549 [0,2,0,0,0,0|2,0,0]=4 463 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,2,0,0,0,0|1,0,0]=3 466 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.24 CC(C)(C)NC(=O)CN Z94601176 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.24 CC(C)(C)OC(=O)CN Z1268152400 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.24 CCC(C)CS(=O)(=O)N Z954606746 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.24 CNC(=O)CC(C)(C)N Z1457934971 [0,2,0,0,0,0|1,0,0]=3 472 B8R0.24 CNC(=O)OC(C)(C)C Z558479240 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.24 COC(C)CS(=O)(=O)N Z1646055840 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.34 C#CC(C)(C)OC(=O)N Z57157184 [0,2,0,0,0,0|2,0,0]=4 477 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.34 CC(C)(CO)CC(=N)N Z4074619777 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.34 CCS(=O)(=O)CC(=O)N Z417003926 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.34 CN(C)CC(C)(O)CN Z1250164252 [0,2,0,0,0,0|0,0,2]=4 485 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,2,0,0,0,0|2,0,0]=4 486 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|2,0,0]=4 487 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|2,0,0]=4 488 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,2,0,0,0,0|1,0,0]=3 490 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|2,0,0]=4 492 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|2,0,0]=4 493 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|2,0,0]=4 494 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|2,0,0]=4 495 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,2,0,0,0,0|1,1,0]=4 497 B8R0.33 CC(C)(C)CS(=O)(=O)N Z954606228 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|2,0,0]=4 499 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|2,0,0]=4 500 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|1,0,0]=3 501 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|2,0,0]=4 502 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|2,0,0]=4 503 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|2,0,0]=4 504 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [0,2,0,0,0,0|2,0,0]=4 505 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,2,0,0,0,0|1,0,0]=3 506 B6R1.2 C=C1CCNC1 Z3019986853 [1,0,0,1,0,0|2,0,0]=4 507 B6R1.2 CC1=CCNC1 Z1203734447 [1,0,0,1,0,0|2,0,0]=4 508 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,1,0,0|1,0,1]=4 509 B6R1.2 CC1CNNC1 Z4953319766 [1,0,0,1,0,0|2,0,0]=4 510 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|2,0,0]=4 511 B6R1.2 NC1=NNCC1 Z1569708704 [1,0,0,1,0,0|2,0,0]=4 512 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,0]=3 513 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|1,0,0]=3 514 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 515 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|2,0,0]=4 516 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|2,0,0]=4 517 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|2,0,0]=4 518 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|2,0,0]=4 519 B6R1.3 NCCC1CC1 Z1267773823 [1,0,0,1,0,0|1,0,1]=4 520 B6R1.3 O=CCC1CC1 Z905066058 [1,0,0,1,0,0|1,0,0]=3 521 B6R1.5 CC1CC(C1)N Z1357823942 [1,0,0,1,0,0|1,0,1]=4 522 B6R1.5 CN1CC(C1)N Z1741969265 [1,0,0,1,0,0|0,0,1]=3 523 B6R1.8 CC1CC1C=O Z1079442440 [1,0,0,1,0,0|1,0,0]=3 524 B6R1.8 CC1CC1CN Z415636622 [1,0,0,1,0,0|1,0,1]=4 525 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [1,0,0,1,0,0|1,0,0]=3 526 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [1,0,0,1,0,0|1,0,0]=3 527 B6R1.8 O=CC1CC1Cl Z1262480603 [1,0,0,1,0,0|2,0,0]=4 528 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [1,0,0,1,0,0|2,0,0]=4 529 B6R1.9 CC1(CC1N)C Z1259335876 [1,0,0,1,0,0|1,0,1]=4 530 B6R1.10 CC1(CCN1)C Z1198749898 [1,0,0,1,0,0|1,0,1]=4 531 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,1,0,0|2,0,0]=4 532 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,1,0,1|2,0,0]=4 533 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,0,0,1,0,1|2,0,0]=4 534 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,0,0,1,0,1|1,0,0]=3 535 B8R1.3 CC1CN=C(NC1)N Z1203586632 [0,0,0,1,0,1|2,0,0]=4 536 B8R1.3 CN1CC=C(CC1)Br Z4896525382 [0,0,0,1,0,1|2,0,0]=4 537 B8R1.3 CN1CCC(CC1)N Z89283296 [0,0,0,1,0,1|1,0,1]=4 538 B8R1.3 CN1CN=C(NC1)S Z57980315 [0,0,0,1,0,1|0,1,0]=3 539 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,0,0,1,0,1|2,0,0]=4 540 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [0,0,0,1,0,1|2,0,0]=4 541 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,1,0,1|2,0,0]=4 542 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,0,0,1,0,1|2,0,0]=4 543 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,0,0,1,0,1|2,0,0]=4 544 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [0,0,0,1,0,1|1,0,0]=3 545 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,1,0,1|2,0,0]=4 546 B8R1.23 CN(C)C1CC(C1)N Z2010010268 [0,0,0,1,0,1|1,0,1]=4 547 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,1,0,1|1,0,0]=3 548 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,0,0,1,0,1|2,0,0]=4 549 B8R1.23 NC(=O)N1CC(C1)N Z3297611731 [0,0,0,1,0,1|2,0,0]=4 550 B8R1.23 NC(=O)N1CC(C1)O Z1090111906 [0,0,0,1,0,1|2,0,0]=4 551 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,0,0,1,0,1|2,0,0]=4 552 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,0,0,1,0,1|1,0,0]=3 553 B8R1.35 NC(=O)NCC1CC1 Z247615948 [0,0,0,1,0,1|1,0,0]=3 554 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,0,0,1,0,1|2,0,0]=4 555 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,0,0,1,0,1|1,0,0]=3 556 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,0,0,1,0,1|2,0,0]=4 557 B8R1.51 CC1(CN=C(N1)N)C Z1262644333 [0,0,0,1,0,1|2,0,0]=4 558 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,0,0,1,0,1|2,0,0]=4 559 B8R1.51 CC1(COC(=N1)N)C Z1198155525 [0,0,0,1,0,1|2,0,0]=4 560 B8R1.51 CN1CCC(C1)(C)N Z2805881504 [0,0,0,1,0,1|1,0,1]=4 561 B8R1.77 CC1(CC1C(=N)N)C Z1203638454 [0,0,0,1,0,1|2,0,0]=4 562 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,0,0,1,0,1|2,0,0]=4 563 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.1 CCN1CCC(C1)N Z415647776 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.1 CN1CCC(C1)CN Z317026942 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.1 CNC1CCN(C1)C Z2867580880 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.1 COC1=CC(=O)NC1 Z1203730872 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.4 CC1CN(CCN1)C Z1162470821 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.4 CN1CCCC(C1)N Z600584196 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.4 C[C@@H]1CN(CCN1)C Z3379438692 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.18 CC1=C(NC(=O)N1)C Z147309784 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.18 CC1=CC(=NN1C)N Z995041200 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.18 CC1=NC(=NN1C)N Z1198175662 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.18 CC1CC(=NN1C)N Z1623872195 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,1,0,0|1,0,1]=4 591 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.18 CN1CC(=NC1=O)N Z1203653661 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,1,0,0|0,0,1]=3 595 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [0,1,0,1,0,0|1,0,1]=4 598 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.31 CN(C)[C@@H]1CC[C@H]1N Z2568757699 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.34 CN(C)CC1CNC1 Z1198219443 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.34 N=C(N)CC1CCC1 Z1642389696 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.40 COC(=O)CC1CC1 Z380123290 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.40 NCC(=O)NC1CC1 Z94599161 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.40 O=C(CCl)CC1CC1 Z1386913809 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.42 CC1(CC1)CC(=N)N Z3804798505 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.42 CN(C)CC1(CC1)N Z3018642735 [0,1,0,1,0,0|1,0,1]=4 612 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.83 CC1CC1C(=O)CCl Z1386913500 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.83 CC1CC1C(=O)NN Z58981971 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.21 CC1CC1S(=O)(=O)N Z2418729163 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.56 NS(=O)(=O)CC1CC1 Z734461550 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|2,0,0]=4 633 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|1,0,0]=3 634 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,2|2,0,0]=4 635 B8R0.28 CC(=CCNC(=N)N)C Z2687203850 [0,0,0,0,0,2|2,0,0]=4 636 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,0,0,0,2|2,0,0]=4 637 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [0,0,0,0,0,2|2,0,0]=4 638 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,0,0,0,0,2|1,0,0]=3 639 B8R0.28 CC(C)CCNC(=S)N Z56930716 [0,0,0,0,0,2|1,1,0]=4 640 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,0,0,0,0,2|1,0,0]=3 641 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,0,0,0,0,2|2,0,0]=4 642 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,0,0,0,0,2|2,0,0]=4 643 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,0,0,0,0,2|2,0,0]=4 644 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,0,0,0,0,2|2,0,0]=4