0 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 CC(C)C(C)CN Z415654990 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.3 CC(CN)C(F)F Z3243520505 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CC(CN)N(C)C Z367452450 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.3 CC(N)C(C)CO Z1203581847 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CC(O)C(N)CN Z1250080890 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.3 CCC(C)C(=N)N Z823287482 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.3 CCC(C)C(C)N Z335455612 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.3 CCC(N)C(C)C Z823287438 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.3 CCC(O)C(C)C Z445987082 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.3 CCC(O)C(C)O Z1251352132 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,0,0|0,0,0]=0 22 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.3 CNC(C)C(C)C Z139701846 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.3 CNC(C)C(F)F Z4086726897 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.3 COC(C)C(=N)N Z1365534351 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.3 COC(C)C(=O)C Z447898138 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,0,0|1,0,0]=1 36 B6R0.3 CSC(C)C(C)O Z1273036711 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|2,0,0]=2 41 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|0,0,2]=3 49 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|0,0,2]=3 50 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|0,0,0]=1 58 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,0]=2 82 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|1,0,0]=2 86 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.3 C=CC(N)CO Z2146514374 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.3 CC(C#N)CO Z406338220 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.3 CC(CN)CN Z951173758 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.3 CC(CN)CO Z406342068 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.3 CC(CO)CS Z1262475362 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.3 CCC(C)CN Z2350903977 [1,0,0,0,0,0|1,0,1]=3 94 B5R0.3 CCC(C)NC Z594038230 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.3 CCC(N)C#N Z445129502 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.3 CCC(N)CN Z1263714131 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.3 CCC(N)CO Z104474862 [1,0,0,0,0,0|1,0,1]=3 98 B5R0.3 CCC(O)C#N Z419078094 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.3 CCC(O)CN Z419084746 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.3 CCC(O)CO Z600450538 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|1,0,0]=2 102 B5R0.3 CCN(C)N=O Z1198147516 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,0,0,0,0|1,0,1]=3 106 B5R0.3 CNC(C)CN Z941154208 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.3 COC(C)CN Z1795817756 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.3 COC(C)CO Z1198150719 [1,0,0,0,0,0|1,0,1]=3 109 B5R0.3 CSC(C)CN Z844632970 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.3 CSC(C)CO Z1273053291 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.3 NC(CO)CO Z1203577940 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.3 OCC(O)CO Z104473548 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.3 OCC(O)CS Z1255382958 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.5 CC(=N)N(C)C Z1428159819 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|1,0,1]=3 117 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|1,0,0]=2 119 B5R0.5 CC(C)C(=N)N Z381357616 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|1,0,0]=2 121 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|0,0,0]=1 122 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|1,0,0]=2 125 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|1,0,0]=2 127 B5R0.5 CC(O)C(=N)N Z2216711526 [1,0,0,0,0,0|3,0,0]=4 128 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.5 CC(O)C(C)O Z104473532 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|1,0,0]=2 131 B5R0.5 CN(C)C(=N)N Z1839480548 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.5 CN(C)C(=S)N Z56347524 [1,0,0,0,0,0|2,1,0]=4 133 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|1,0,0]=2 134 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|2,0,0]=3 135 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|1,0,0]=2 136 B5R0.5 NC(=O)C(F)F Z33546481 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,0,0|2,0,0]=3 140 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,0,0,0,0|1,0,1]=3 143 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.5 CC(C)C(C)CCN Z4760484132 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|0,0,0]=1 146 B7R0.5 CC(CCN)C(F)F Z3633566314 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,1,0,0,0,0|1,0,1]=3 149 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|0,0,0]=1 150 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|0,0,0]=1 155 B7R0.5 CCNC(C)C(C)C Z910842872 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|0,0,0]=1 160 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|0,0,0]=1 162 B7R0.5 CNCC(C)C(C)C Z3894049929 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|0,0,0]=1 164 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|1,0,0]=2 165 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|0,0,0]=1 166 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|1,0,0]=2 167 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|1,0,0]=2 169 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|1,0,0]=2 170 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|1,0,0]=2 171 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|1,0,0]=2 172 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,1,0,0,0,0|1,0,2]=4 175 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.10 CCC(=O)C(C)C#N Z385381340 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,1,0,0,0,0|1,0,0]=2 178 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,0,0,0,0|1,0,0]=2 179 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,1,0,0,0,0|1,0,1]=3 180 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,1,0,0,0,0|1,0,1]=3 181 B7R0.10 CCC(C)C(O)CN Z802901690 [0,1,0,0,0,0|1,0,1]=3 182 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,1,0,0,0,0|2,0,0]=3 185 B7R0.10 CNC(=N)C(C)OC Z2759956061 [0,1,0,0,0,0|3,0,0]=4 186 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,1,0,0,0,0|3,0,0]=4 189 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|1,0,0]=2 190 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,0,0,0,0|1,0,0]=2 191 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|2,0,0]=3 192 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,1,0,0,0,0|0,0,2]=3 198 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,0,0|1,0,0]=2 200 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,1,0,0,0,0|1,0,1]=3 201 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,0,0|1,0,0]=2 202 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,0,0|1,0,0]=2 204 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,0,0|1,0,0]=2 205 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,0,0|1,0,0]=2 206 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|1,0,0]=2 207 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|1,0,0]=2 208 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|0,0,0]=1 210 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,0,0,0,0|1,0,0]=2 211 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|0,0,0]=1 212 B7R0.13 CCC(C)(C)C(C)C Z1198148974 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,0,0,0,0|1,0,0]=2 215 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|0,0,0]=1 216 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|0,0,0]=1 217 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,0,0,0,0|1,0,0]=2 219 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,1,0,0,0,0|2,0,0]=3 220 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,0,0,0,0|1,0,0]=2 221 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,0,0,0,0|1,0,0]=2 222 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.14 CC(CN)S(=O)(=O)C Z2588063744 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.14 CCN(C)S(=O)(=O)N Z409026870 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|0,0,1]=2 227 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,1,0,0,0,0|1,0,0]=2 229 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,1,0,0,0,0|1,1,0]=3 230 B7R0.15 CCC(CC)C(C)N Z728804288 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.15 CCC(CN)C(C)C Z608350088 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.15 CCC(CN)N(C)C Z367678736 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,0,0,0,0|0,0,1]=2 234 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|0,0,0]=1 235 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|0,0,0]=1 236 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|0,0,0]=1 237 B7R0.15 CCN(CC)C(=N)C Z56757228 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.15 CCN(CC)C(=S)N Z55928942 [0,1,0,0,0,0|2,1,0]=4 239 B7R0.15 CCN(CC)C(=S)[S-] Z1522566622 [0,1,0,0,0,0|1,2,0]=4 240 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,1,0,0,0,0|2,0,0]=3 242 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|1,0,0]=2 243 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|1,0,0]=2 244 B7R0.15 COC(OC)C(=O)N Z56754520 [0,1,0,0,0,0|2,0,0]=3 245 B7R0.15 COC(OC)C(C)O Z1167044501 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,0,0|1,0,0]=2 247 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|1,0,2]=4 248 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,0,0|1,0,2]=4 249 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|1,0,1]=3 250 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|1,0,1]=3 254 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|1,0,0]=2 255 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|0,0,0]=1 256 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|1,0,0]=2 257 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|1,0,0]=2 259 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|1,0,0]=2 260 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,1,0,0,0,0|3,0,0]=4 261 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|2,0,0]=3 262 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|1,0,0]=2 263 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|1,0,0]=2 264 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|0,0,0]=1 265 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|0,0,0]=1 266 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|1,0,0]=2 268 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|1,0,0]=2 269 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|1,0,0]=2 270 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|1,0,0]=2 271 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|1,0,0]=2 272 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|2,0,1]=4 273 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|0,0,2]=3 274 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|1,0,0]=2 275 B7R1.4 CC1CCCC1N Z1219738990 [0,0,0,1,0,0|2,0,1]=4 276 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|1,0,0]=2 277 B7R1.4 CC1CCNC1C Z1335657674 [0,0,0,1,0,0|2,0,1]=4 278 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.4 CN1C=COC1=O Z2732441923 [0,0,0,1,0,0|1,0,2]=4 280 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,1,0,0|2,0,0]=3 282 B7R1.4 CN1CCSC1=N Z3242405392 [0,0,0,1,0,0|2,1,0]=4 283 B7R1.4 CN1CNCC1=O Z1601562352 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,0,0,1,0,0|2,0,1]=4 286 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|1,0,0]=2 290 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|1,1,0]=3 291 B7R1.4 NC1CONC1=O Z336087816 [0,0,0,1,0,0|3,0,0]=4 292 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|2,0,0]=3 293 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,0,1,0,0|2,0,1]=4 295 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|1,1,0]=3 296 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,0,1,0,0|3,0,0]=4 297 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,0,1,0,0|2,0,1]=4 298 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|1,1,0]=3 299 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,0,1,0,0|3,0,0]=4 300 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|2,0,0]=3 301 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,1,0,0|2,0,0]=3 302 B7R1.4 OC1CCCC1O Z600452564 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|1,0,0]=2 305 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|1,0,0]=2 306 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|0,0,0]=1 307 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|0,0,0]=1 308 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,1,0,0|1,0,1]=3 309 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,0,0,1,0,0|3,0,0]=4 311 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,1,0,0|1,0,0]=2 312 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,1,0,0|2,0,0]=3 313 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|0,0,0]=1 314 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|1,0,0]=2 315 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|1,0,0]=2 316 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|1,0,0]=2 317 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,1,0,0|1,0,0]=2 318 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,1,0,0|2,0,0]=3 319 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,0,1,0,0|2,0,0]=3 320 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [0,0,0,1,0,0|2,0,0]=3 321 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,1,0,0|1,0,0]=2 322 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|0,0,0]=1 323 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,0,1,0,0|2,0,0]=3 324 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|1,0,0]=2 325 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|1,0,0]=2 326 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,0,0,0,0,1|2,0,1]=4 327 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,0,0,0,0,1|2,0,1]=4 328 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,0,1|1,0,0]=2 329 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,0,0,0,0,1|2,0,1]=4 330 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,0,1|0,0,1]=2 331 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,0,0,0,0,1|2,0,1]=4 332 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,1|0,0,0]=1 333 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,0,0,0,0,1|2,0,1]=4 334 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,0,0,0,1|1,0,0]=2 335 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,0,0,0,0,1|1,1,0]=3 336 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,1|1,0,0]=2 337 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,0,0,0,1|1,0,0]=2 338 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,0,0,0,0,1|3,0,0]=4 339 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,0,0,0,0,1|2,0,1]=4 340 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,0,0,0,0,1|2,0,0]=3 341 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,0,1|1,0,0]=2 342 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,0,0,0,1|2,0,0]=3 343 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,0,0,0,1|2,0,0]=3 344 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,0,0,0,1|2,0,0]=3 345 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 346 B4R0.1 C#CC(C)O Z1251193370 [2,0,0,0,0,0|0,0,2]=4 347 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,2]=4 348 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,1]=4 350 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,1]=4 351 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|1,0,0]=3 352 B4R0.1 CC(F)CN Z2941405027 [2,0,0,0,0,0|2,0,0]=4 353 B4R0.1 CC(N)CF Z2096088772 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.1 CC(N)CN Z104474490 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,0]=3 356 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,0]=3 357 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 358 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 359 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 360 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 361 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,0]=3 362 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|0,0,0]=2 363 B4R0.1 CN(C)N=O Z1255485177 [2,0,0,0,0,0|2,0,0]=4 364 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|1,0,1]=4 365 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 366 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 367 B4R0.1 C[C@@H](N)CN Z3234812272 [2,0,0,0,0,0|2,0,0]=4 368 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|1,0,1]=4 369 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,0]=3 370 B4R0.1 C[C@H](N)CN Z1741977335 [2,0,0,0,0,0|2,0,0]=4 371 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,0]=3 372 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,0]=3 373 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 374 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 375 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|2,0,0]=4 376 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 377 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 378 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 379 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,0]=3 380 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 381 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 382 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,1]=3 383 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 384 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,1]=4 385 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,1]=4 386 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,1]=4 387 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|0,0,2]=4 389 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,0]=3 391 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|0,0,0]=2 392 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|1,0,1]=4 393 B6R0.1 CCCN(C)N=O Z1198147496 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,0]=3 396 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|2,0,0]=4 403 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,0]=3 404 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,1,0,0,0,0|0,0,2]=4 405 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|0,0,1]=3 406 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,1,0,0,0,0|0,0,2]=4 407 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|1,0,0]=3 408 B6R0.2 CC(C)CB(O)O Z1098324138 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|1,0,0]=3 411 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|0,0,0]=2 412 B6R0.2 CC(C)NC(=O)N Z56887677 [1,1,0,0,0,0|2,0,0]=4 413 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|1,0,0]=3 414 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|0,0,0]=2 415 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,1,0,0,0,0|2,0,0]=4 416 B6R0.2 CN(C)CC(=O)N Z54750057 [1,1,0,0,0,0|2,0,0]=4 417 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|1,0,0]=3 418 B6R0.2 CS(=O)CC(=O)N Z1203581973 [1,1,0,0,0,0|2,0,0]=4 419 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|0,0,0]=2 420 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,1,0,0,0,0|1,0,1]=4 421 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,1,0,0,0,0|1,0,1]=4 422 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|0,0,1]=3 423 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|1,0,1]=4 424 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|0,0,1]=3 425 B6R0.4 CC(=O)CCC#N Z1251352415 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|2,0,0]=4 427 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|2,0,0]=4 428 B6R0.4 CC(O)CCCN Z1198178891 [1,1,0,0,0,0|1,0,1]=4 429 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|0,0,1]=3 430 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|0,0,1]=3 431 B6R0.4 CCCCB(O)O Z1147227739 [1,1,0,0,0,0|1,0,1]=4 432 B6R0.4 CCCCC(=N)N Z1723418909 [1,1,0,0,0,0|2,0,0]=4 433 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|1,0,0]=3 434 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|0,0,0]=2 435 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,0]=3 436 B6R0.4 CCCNC(=S)N Z56930715 [1,1,0,0,0,0|1,1,0]=4 437 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,0]=3 438 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,0]=3 439 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,0]=2 440 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|0,0,0]=2 442 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,0]=3 443 B6R0.4 CNCCC(C)O Z1203731868 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.4 COCCC(=N)N Z1592042674 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,0]=3 447 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,0,0]=2 448 B6R0.4 COCCC(C)O Z818738042 [1,1,0,0,0,0|1,0,1]=4 449 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|0,0,2]=4 450 B6R0.4 CSCCC(=N)N Z1266823407 [1,1,0,0,0,0|2,0,0]=4 451 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,0,0]=2 452 B6R0.4 N#CCCC(=O)N Z57160408 [1,1,0,0,0,0|1,0,1]=4 453 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,0]=3 454 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|2,0,0]=4 455 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|2,0,0]=4 456 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|1,0,0]=3 457 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|0,0,0]=2 458 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|1,0,0]=3 459 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|2,0,0]=4 461 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|0,0,2]=4 462 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|0,0,2]=4 463 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,0,0]=2 464 B6R0.5 CCCC(C)(C)O Z449374450 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.5 NCCS(=O)(=O)O Z248489432 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.8 C#CC(C)(O)CC Z1251192957 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,1,0,0,0,0|1,0,0]=3 468 B6R0.8 CC(C)(CN)CO Z3247605488 [1,1,0,0,0,0|1,0,1]=4 469 B6R0.8 CCC(C)(C)C#N Z1079179196 [1,1,0,0,0,0|1,0,1]=4 470 B6R0.8 CCC(C)(C)CO Z995039230 [1,1,0,0,0,0|0,0,1]=3 471 B6R0.8 CCC(C)(C)NC Z335250498 [1,1,0,0,0,0|2,0,0]=4 472 B6R0.8 CCC(C)(N)CC Z1267881628 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.8 CCC(C)(N)CN Z425861002 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.8 CCC(C)(N)CO Z734150850 [1,1,0,0,0,0|0,0,1]=3 475 B6R0.8 CCC(C)(O)CC Z449374480 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.8 CCC(C)(O)CN Z419085064 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.8 CNC(C)(C)CO Z425727892 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.8 COC(C)(C)CO Z1255430497 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.9 C#CC(CC)CN Z5851994475 [1,1,0,0,0,0|1,0,1]=4 480 B6R0.9 CCC(C#N)NC Z2472860014 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.9 CCC(C#N)OC Z851010100 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.9 CCC(CC)NC Z1262254286 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.9 CCC(CN)OC Z2168541798 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.9 CCC(CO)CO Z1198261463 [1,1,0,0,0,0|0,0,1]=3 485 B6R0.9 CCC(CO)OC Z1255373272 [1,1,0,0,0,0|0,0,1]=3 486 B6R0.9 CCN(CC)N=O Z1255485632 [1,1,0,0,0,0|2,0,0]=4 487 B6R0.9 CNC(CO)CO Z1939437574 [1,1,0,0,0,0|1,0,1]=4 488 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,1,0,0,0,0|1,0,0]=3 489 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [1,1,0,0,0,0|1,0,0]=3 490 B6R0.7 CC(C)(C)C(=N)N Z56771178 [1,1,0,0,0,0|2,0,0]=4 491 B6R0.7 CC(C)(C)C(=O)N Z56895677 [1,1,0,0,0,0|1,0,0]=3 492 B6R0.7 CC(C)(C)C(=S)N Z278180216 [1,1,0,0,0,0|1,1,0]=4 493 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|0,0,0]=2 494 B6R0.7 CC(C)(N)C(=O)N Z752371206 [1,1,0,0,0,0|1,0,0]=3 495 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|0,0,0]=2 496 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [1,1,0,0,0,0|2,0,0]=4 497 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [1,1,0,0,0,0|1,0,1]=4 498 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,1,0,0,0,0|1,0,0]=3 499 B6R0.7 CC(O)C(C)(C)N Z3688848535 [1,1,0,0,0,0|1,0,1]=4 500 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [1,1,0,0,0,0|2,0,0]=4 501 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [1,1,0,0,0,0|2,0,0]=4 502 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [1,1,0,0,0,0|2,0,0]=4 503 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [1,1,0,0,0,0|2,0,0]=4 504 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,1,0,0,0,1|0,0,2]=4 505 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,1,0,0,0,1|1,0,0]=3 506 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,0,0,0,1|0,0,1]=3 507 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,0,1|0,0,0]=2 508 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,1|0,0,0]=2 509 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,0,1|1,0,0]=3 510 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,1|0,0,0]=2 511 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,1|0,0,0]=2 512 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,1|0,0,0]=2 513 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,0,1|1,0,0]=3 514 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,1|0,0,0]=2 515 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,1|0,0,0]=2 516 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,0,0,0,1|1,0,0]=3 517 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,0,0,0,1|1,0,0]=3 518 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,0,0,0,1|1,0,0]=3 519 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,0,0,0,1|2,0,0]=4 520 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,0,0,0,1|0,0,0]=2 521 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,1,0,0,0,1|0,0,1]=3 522 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,0,0,0,1|0,0,0]=2 523 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,1,0,0,0,1|1,0,0]=3 524 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,1,0,0,0,1|1,0,0]=3 525 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,0,0,0,1|0,0,0]=2 526 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,1,0,0,0,1|0,0,1]=3 527 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,0,0,0,1|0,0,0]=2 528 B8R0.5 COCC(C)NC(=O)N Z56989549 [0,1,0,0,0,1|1,0,0]=3 529 B8R0.5 COCC(C)NC(=S)N Z56904617 [0,1,0,0,0,1|1,1,0]=4 530 B8R0.16 CC(=O)NC(CO)CO Z1203731713 [0,1,0,0,0,1|2,0,0]=4 531 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,1,0,0,0,1|0,0,1]=3 532 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,1,0,0,0,1|0,0,0]=2 533 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,0,1|0,0,0]=2 534 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,1,0,0,0,1|1,0,0]=3 535 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,1,0,0,0,1|1,0,0]=3 536 B8R0.19 CCC(C)CC(N)CO Z1198179422 [0,1,0,0,0,1|1,0,1]=4 537 B8R0.19 CCC(C)NC(=O)CCl Z56853748 [0,1,0,0,0,1|1,0,0]=3 538 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,1,0,0,0,1|1,0,0]=3 539 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,1|1,0,1]=4 540 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,1|0,0,0]=2 541 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,1|1,0,0]=3 542 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,1,0,0,0,1|1,0,0]=3 543 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,1|1,0,1]=4 544 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,1|1,0,0]=3 545 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,1,0,0,0,1|1,0,0]=3 546 B8R0.24 CCC(C)CC(C)(C)O Z1258798904 [0,1,0,0,0,1|1,0,1]=4 547 B8R0.24 CCC(C)CS(=O)(=O)N Z954606746 [0,1,0,0,0,1|1,0,1]=4 548 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,1,0,0,0,1|0,0,2]=4 549 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [0,1,0,0,0,1|2,0,0]=4 550 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,1,0,0,0,1|1,0,1]=4 551 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,1,0,0,0,1|1,0,0]=3 552 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,1,0,0,0,1|1,0,0]=3 553 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,1,0,0,0,1|0,0,0]=2 554 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,1,0,0,0,1|1,0,0]=3 555 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,1,0,0,0,1|2,0,0]=4 556 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,1,0,0,0,1|1,0,0]=3 557 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,2,0,0,0,0|1,0,1]=4 558 B8R0.3 CCC(C)C(=O)CC#N Z360167402 [0,2,0,0,0,0|1,0,0]=3 559 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,2,0,0,0,0|1,0,0]=3 560 B8R0.3 CCCC(C)C(N)CO Z2379035176 [0,2,0,0,0,0|1,0,1]=4 561 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|2,0,0]=4 562 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|1,0,0]=3 563 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|1,0,0]=3 564 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,2,0,0,0,0|1,0,0]=3 565 B8R0.3 CCOC(=O)C(C)C#N Z878438822 [0,2,0,0,0,0|1,0,1]=4 566 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,2,0,0,0,0|1,0,0]=3 567 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,2,0,0,0,0|1,0,0]=3 568 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,2,0,0,0,0|1,0,0]=3 569 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,2,0,0,0,0|1,0,0]=3 570 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|0,0,0]=2 571 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|1,0,0]=3 572 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,2,0,0,0,0|0,0,1]=3 573 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|1,0,0]=3 574 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,2,0,0,0,0|1,0,0]=3 575 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,2,0,0,0,0|0,0,1]=3 576 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,2,0,0,0,0|1,0,0]=3 577 B8R0.8 CC(=O)N(C)CCCN Z319974634 [0,2,0,0,0,0|2,0,0]=4 578 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,2,0,0,0,0|1,0,0]=3 579 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|0,0,0]=2 580 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|1,0,0]=3 581 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,2,0,0,0,0|1,0,0]=3 582 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|1,0,0]=3 583 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|1,0,0]=3 584 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|0,0,0]=2 585 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|1,0,0]=3 586 B8R0.8 CN(CCC#N)C(=O)N Z319974004 [0,2,0,0,0,0|2,0,0]=4 587 B8R0.8 CNCCN(C)C(=O)C Z1190219530 [0,2,0,0,0,0|2,0,0]=4 588 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|0,0,0]=2 589 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|1,0,0]=3 590 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|1,0,0]=3 591 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|1,0,0]=3 592 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|1,0,0]=3 593 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|1,0,0]=3 594 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,2,0,0,0,0|2,0,0]=4 595 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|1,0,0]=3 596 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|1,0,0]=3 597 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|1,0,0]=3 598 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,2,0,0,0,0|1,0,0]=3 599 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,2,0,0,0,0|1,0,1]=4 600 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,2,0,0,0,0|0,0,0]=2 601 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,2,0,0,0,0|0,0,1]=3 602 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|0,0,0]=2 603 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,2,0,0,0,0|1,0,0]=3 604 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|0,0,0]=2 605 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|0,0,0]=2 606 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,2,0,0,0,0|0,0,0]=2 607 B8R0.12 COCC(C)(C)C(=N)N Z2805865778 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,2,0,0,0,0|0,0,0]=2 609 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,2,0,0,0,0|1,0,0]=3 610 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|0,0,0]=2 611 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|0,0,0]=2 612 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,2,0,0,0,0|0,0,0]=2 613 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,2,0,0,0,0|1,0,0]=3 614 B8R0.14 CCCC(C)S(=O)(=O)N Z954606570 [0,2,0,0,0,0|1,0,1]=4 615 B8R0.14 COCC(C)S(=O)(=O)N Z992449400 [0,2,0,0,0,0|1,0,1]=4 616 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|0,0,0]=2 617 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|0,0,0]=2 618 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|0,0,0]=2 619 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|0,0,0]=2 620 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|0,0,0]=2 621 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,2,0,0,0,0|0,0,0]=2 622 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|0,0,0]=2 623 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,2,0,0,0,0|1,0,0]=3 624 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|0,0,0]=2 625 B8R0.13 CNC(=O)C(C)(C)CN Z878097856 [0,2,0,0,0,0|2,0,0]=4 626 B8R0.13 COC(=O)C(C)(C)C#N Z426040992 [0,2,0,0,0,0|1,0,1]=4 627 B8R0.13 COC(=O)C(C)(C)CN Z1415893842 [0,2,0,0,0,0|1,0,0]=3 628 B8R0.20 CCC(C)C(CN)OC Z1270207707 [0,2,0,0,0,0|1,0,1]=4 629 B8R0.20 CCC(C)C(CO)OC Z2234631187 [0,2,0,0,0,0|0,0,2]=4 630 B8R0.20 CCC(CC)C(O)CN Z802901136 [0,2,0,0,0,0|1,0,1]=4 631 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|0,0,0]=2 632 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,2,0,0,0,0|0,0,0]=2 633 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|0,0,0]=2 634 B8R0.20 CCN(CC)C(=O)CN Z54747470 [0,2,0,0,0,0|2,0,0]=4 635 B8R0.20 COC(=O)C(CBr)CBr Z963753264 [0,2,0,0,0,0|1,0,0]=3 636 B8R0.20 COC(=O)C(CN)CN Z3241252852 [0,2,0,0,0,0|1,0,0]=3 637 B8R0.20 COC(=O)C(OC)OC Z1013699654 [0,2,0,0,0,0|1,0,0]=3 638 B8R0.36 CCC(C)(C#N)C(=O)N Z1203583967 [0,2,0,0,0,0|1,0,0]=3 639 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,2,0,0,0,0|0,0,0]=2 640 B8R0.36 CCC(C)(CN)C(=O)N Z1473854538 [0,2,0,0,0,0|1,0,0]=3 641 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|0,0,0]=2 642 B8R0.36 CCC(C)(CN)C(C)O Z1259285407 [0,2,0,0,0,0|1,0,1]=4 643 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|0,0,0]=2 644 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,2,0,0,0,0|1,0,0]=3 645 B8R0.36 COC(C)(OC)C(=O)C Z240126824 [0,2,0,0,0,0|2,0,0]=4 646 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,2,0,0,0,0|1,0,1]=4 647 B8R0.37 CC(C)(C(=O)O)C(F)F Z1205656337 [0,2,0,0,0,0|1,0,0]=3 648 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|0,0,0]=2 649 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|0,0,0]=2 650 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [0,2,0,0,0,0|1,0,1]=4 651 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,2,0,0,0,0|1,0,1]=4 652 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [0,2,0,0,0,0|1,0,0]=3 653 B8R0.37 CC(O)(C(=O)[O-])C(F)F Z4510561429 [0,2,0,0,0,0|1,0,1]=4 654 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|0,0,0]=2 655 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|0,0,0]=2 656 B8R0.37 CC(O)C(C)(O)C(C)O Z1896353427 [0,2,0,0,0,0|1,0,1]=4 657 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,2,0,0,0,0|1,0,0]=3 658 B8R0.26 CCC(CC)S(=O)(=O)N Z954606636 [0,2,0,0,0,0|1,0,1]=4 659 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|0,0,0]=2 660 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,2,0,0,0,0|0,0,0]=2 661 B8R0.27 CC(C(=O)O)C(F)(F)F Z1205494054 [0,2,0,0,0,0|1,0,0]=3 662 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,2,0,0,0,0|1,0,0]=3 663 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,2,0,0,0,0|2,0,0]=4 664 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,2,0,0,0,0|1,0,1]=4 665 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|1,0,0]=3 666 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,2,0,0,0,0|1,0,0]=3 667 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,2,0,0,0,0|2,0,0]=4 668 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|1,0,0]=3 669 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|1,0,0]=3 670 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|1,0,0]=3 671 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|1,0,0]=3 672 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|1,0,0]=3 673 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|1,0,0]=3 674 B8R0.27 CC(N)C(C)S(=O)(=O)C Z1696822775 [0,2,0,0,0,0|1,0,1]=4 675 B8R0.27 CC(O)C(O)P(=O)(O)O Z2050515563 [0,2,0,0,0,0|2,0,0]=4 676 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,2,0,0,0,0|2,0,0]=4 677 B8R0.27 NC(C(=O)O)C(F)(F)F Z1837073442 [0,2,0,0,0,0|2,0,0]=4 678 B8R0.27 O=C(O)C(O)C(F)(F)F Z3225872563 [0,2,0,0,0,0|2,0,0]=4 679 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|0,0,0]=2 680 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|0,0,0]=2 681 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,2,0,0,0,0|1,0,0]=3 682 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|0,0,0]=2 683 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|0,0,0]=2 684 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|2,0,0]=4 685 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,1,0,0|2,0,0]=4 686 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,2]=4 687 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,0]=3 688 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 689 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 690 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|2,0,0]=4 691 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|2,0,0]=4 692 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,0]=3 693 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|1,1,0]=4 694 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,0]=3 695 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|2,0,0]=4 696 B6R1.10 CC1(CCC1)O Z1241455013 [1,0,0,1,0,0|1,0,1]=4 697 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,1,0,0|2,0,0]=4 698 B6R1.11 O=S([O-])C1CC1 Z1741965693 [1,0,0,1,0,0|1,0,1]=4 699 B6R1.4 CC1CCC1N Z2082999653 [1,0,0,1,0,0|1,0,1]=4 700 B6R1.6 CCC1CNC1 Z1203733931 [1,0,0,1,0,0|1,0,1]=4 701 B6R1.6 CNC1CCC1 Z1263820270 [1,0,0,1,0,0|2,0,0]=4 702 B6R1.6 N#CC1CCC1 Z406694072 [1,0,0,1,0,0|1,0,1]=4 703 B6R1.6 NCC1CCC1 Z381061564 [1,0,0,1,0,0|1,0,1]=4 704 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|0,0,0]=2 705 B6R1.7 C#CC1(CC1)C Z1861999732 [1,0,0,1,0,0|1,0,1]=4 706 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|0,0,0]=2 707 B6R1.7 CC1(CC1)CN Z1335657802 [1,0,0,1,0,0|1,0,1]=4 708 B6R1.7 CC1(CO1)CCl Z1201618277 [1,0,0,1,0,0|1,0,1]=4 709 B6R1.7 CCC1(CO1)C Z1020679924 [1,0,0,1,0,0|0,0,1]=3 710 B6R1.7 CNC1(CC1)C Z2310723089 [1,0,0,1,0,0|2,0,0]=4 711 B6R1.7 NC1(CC1)CO Z1741975623 [1,0,0,1,0,0|1,0,1]=4 712 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [1,0,0,1,0,0|1,0,1]=4 713 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [1,0,0,1,0,0|1,0,1]=4 714 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,0,0,1,0,1|1,0,0]=3 715 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,0,0,1,0,1|1,0,0]=3 716 B8R1.1 CCC1COC(=N1)N Z3231924235 [0,0,0,1,0,1|1,0,0]=3 717 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,0,0,1,0,1|2,0,0]=4 718 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,0,0,1,0,1|2,0,0]=4 719 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,0,0,1,0,1|2,0,0]=4 720 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,0,0,1,0,1|2,0,0]=4 721 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,0,0,1,0,1|1,0,0]=3 722 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,0,0,1,0,1|1,0,0]=3 723 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,0,0,1,0,1|1,0,0]=3 724 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,0,0,1,0,1|1,0,0]=3 725 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,0,0,1,0,1|1,0,1]=4 726 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,0,0,1,0,1|2,0,0]=4 727 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,0,0,1,0,1|2,0,0]=4 728 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,0,0,1,0,1|2,0,0]=4 729 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,0,0,1,0,1|2,0,0]=4 730 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,0,0,1,0,1|1,0,0]=3 731 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,0,0,1,0,1|1,0,1]=4 732 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,0,0,1,0,1|2,0,0]=4 733 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,1,0,1|2,0,0]=4 734 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,0,0,1,0,1|1,0,1]=4 735 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,1,0,1|1,0,0]=3 736 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,1,0,1|1,0,0]=3 737 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,0,0,1,0,1|2,0,0]=4 738 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,1|1,0,0]=3 739 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,0,1,0,1|2,0,0]=4 740 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,1,0,1|2,0,0]=4 741 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,1,0,1|2,0,0]=4 742 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,0,0,1,0,1|1,0,0]=3 743 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,1,0,1|1,0,0]=3 744 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,0,0,1,0,1|1,0,1]=4 745 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,0,0,1,0,1|1,0,0]=3 746 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,0,0,1,0,1|1,0,0]=3 747 B8R1.34 CC(=O)NC1CNC1 Z1198175578 [0,0,0,1,0,1|2,0,0]=4 748 B8R1.34 N=C(N)CC1CCC1 Z1642389696 [0,0,0,1,0,1|2,0,0]=4 749 B8R1.34 N=C(N)NC1CCC1 Z979785416 [0,0,0,1,0,1|2,0,0]=4 750 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,0,0,1,0,1|2,0,0]=4 751 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,0,0,1,0,1|1,0,0]=3 752 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,0,1,0,1|0,0,1]=3 753 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,1,0,1|0,0,0]=2 754 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,0,1,0,1|1,0,0]=3 755 B8R1.42 CC1(CC1)CC(=N)N Z3804798505 [0,0,0,1,0,1|2,0,0]=4 756 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,1|0,0,0]=2 757 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,0,0,1,0,1|1,0,1]=4 758 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,0,0,1,0,1|1,0,1]=4 759 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,0,1,0,1|1,0,0]=3 760 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,0,0,1,0,1|1,0,1]=4 761 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,0,0,1,0,1|1,0,1]=4 762 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,0,0,1,0,1|1,0,1]=4 763 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [0,0,0,1,0,1|2,0,0]=4 764 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [0,0,0,1,0,1|2,0,0]=4 765 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,0,1,0,1|0,0,0]=2 766 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|1,0,0]=3 767 B8R1.5 CC1CCCCC1O Z104478402 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|1,0,0]=3 769 B8R1.5 CC1CCOCC1N Z3035821495 [0,1,0,1,0,0|1,0,1]=4 770 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.5 CC1CNCCC1O Z1742055068 [0,1,0,1,0,0|1,0,1]=4 772 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,1,0,0|1,0,1]=4 774 B8R1.5 CC1NCCCC1O Z2235409289 [0,1,0,1,0,0|1,0,1]=4 775 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.5 CC1NCCOC1C Z1187835063 [0,1,0,1,0,0|1,0,1]=4 777 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|1,0,0]=3 778 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.5 CN1CCNCC1=O Z1250100764 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.5 CN1CNCNC1=O Z5130722475 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,1,0,1,0,0|1,0,1]=4 782 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,1,0,1,0,0|1,0,1]=4 783 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.5 C[C@@H]1NCCO[C@@H]1C Z2412195478 [0,1,0,1,0,0|1,0,1]=4 785 B8R1.5 C[C@@H]1NCCO[C@H]1C Z4524514028 [0,1,0,1,0,0|1,0,1]=4 786 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,1,0,1,0,0|1,0,1]=4 787 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,1,0,1,0,0|1,0,1]=4 795 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,1,0,1,0,0|1,0,1]=4 796 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,1,0,1,0,0|1,0,1]=4 797 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,1,0,1,0,0|1,0,1]=4 798 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,1,0,1,0,0|1,0,1]=4 799 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,1,0,1,0,0|2,0,0]=4 800 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,1,0,1,0,0|2,0,0]=4 801 B8R1.7 N=C(N)C1CCNC1 Z2865416914 [0,1,0,1,0,0|2,0,0]=4 802 B8R1.7 N=C(N)C1CCOC1 Z2787259146 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|1,0,0]=3 804 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,1,0,1,0,0|1,0,0]=3 807 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,1,0,1,0,0|2,0,0]=4 810 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|0,0,1]=3 811 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,1,0,1,0,0|0,0,2]=4 812 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,1,0,1,0,0|0,0,2]=4 813 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,1,0,1,0,0|1,0,1]=4 814 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,1,0,1,0,0|0,0,2]=4 815 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,1,0,1,0,0|0,0,1]=3 816 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|0,0,0]=2 817 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|0,0,0]=2 818 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|0,0,0]=2 819 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|0,0,0]=2 820 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|0,0,0]=2 821 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|1,0,0]=3 822 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|0,0,0]=2 823 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|0,0,0]=2 824 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|0,0,0]=2 829 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|1,0,0]=3 830 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|0,0,0]=2 831 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|1,0,0]=3 832 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,1,0,1,0,0|1,0,1]=4 833 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,1,0,1,0,0|1,0,0]=3 836 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,1,0,0|0,0,0]=2 838 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|0,0,0]=2 839 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,1,0,1,0,0|2,0,0]=4 840 B8R1.19 CC1(NCCC1=O)C Z3235143689 [0,1,0,1,0,0|2,0,0]=4 841 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,1,0,1,0,0|1,0,1]=4 842 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,1,0,0|0,0,0]=2 844 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,1,0,0|0,0,0]=2 845 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,1,0,1,0,0|1,0,1]=4 846 B8R1.23 NC(=O)N1CC(C1)N Z3297611731 [0,1,0,1,0,0|2,0,0]=4 847 B8R1.23 NC(=O)N1CC(C1)O Z1090111906 [0,1,0,1,0,0|2,0,0]=4 848 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,1,0,0|0,0,0]=2 849 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,1,0,1,0,0|0,0,1]=3 850 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,1,0,1,0,0|0,0,1]=3 851 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|0,0,0]=2 852 B8R1.46 CCN1CC(C1=O)N Z1633398454 [0,1,0,1,0,0|2,0,0]=4 853 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|0,0,0]=2 854 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|2,0,0]=4 855 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|1,0,0]=3 858 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|0,0,0]=2 859 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,1,0,0|0,0,0]=2 861 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,1,0,0|0,0,0]=2 862 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,1,0,0|1,0,0]=3 863 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,1,0,1,0,0|2,0,0]=4 864 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,1,0,1,0,0|2,0,0]=4 865 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|0,0,0]=2 866 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,1,0,0|1,0,0]=3 867 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|0,0,0]=2 868 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|0,0,0]=2 869 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.11 CC1CCCC1C=O Z1268606470 [0,1,0,1,0,0|1,0,1]=4 871 B8R1.11 CC1CCNC1CO Z1203831515 [0,1,0,1,0,0|1,0,1]=4 872 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.11 CCC1CNCC1O Z1509030677 [0,1,0,1,0,0|1,0,1]=4 875 B8R1.11 CCN1CCCC1=O Z1255438420 [0,1,0,1,0,0|2,0,0]=4 876 B8R1.11 CCN1CCNC1=O Z1179328150 [0,1,0,1,0,0|2,0,0]=4 877 B8R1.11 COC1CCCC1O Z854223428 [0,1,0,1,0,0|1,0,1]=4 878 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,1,0,1,0,0|1,0,1]=4 879 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,1,0,1,0,0|1,0,1]=4 880 B8R1.11 N#CC1CCCC1=O Z951172672 [0,1,0,1,0,0|1,0,1]=4 881 B8R1.11 NCC1CCCC1O Z409444212 [0,1,0,1,0,0|1,0,1]=4 882 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,1,0,0|2,0,0]=4 883 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|1,0,0]=3 884 B8R1.38 C=CC(=O)N1CCC1 Z440634168 [0,1,0,1,0,0|2,0,0]=4 885 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [0,1,0,1,0,0|1,0,1]=4 886 B8R1.38 CC(CO)C1CCC1 Z1717769985 [0,1,0,1,0,0|1,0,1]=4 887 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,1,0,0|1,0,0]=3 888 B8R1.38 CCC(O)C1CCC1 Z1255407680 [0,1,0,1,0,0|1,0,1]=4 889 B8R1.38 CNC(=O)C1CNC1 Z1651744906 [0,1,0,1,0,0|2,0,0]=4 890 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|0,0,0]=2 891 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,1,0,0|1,0,0]=3 892 B8R1.38 NCC(O)C1CCC1 Z2238624890 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,1,0,1,0,0|1,0,0]=3 894 B8R1.38 O=C(CCl)N1CCC1 Z57039583 [0,1,0,1,0,0|2,0,0]=4 895 B8R1.39 CC1(CC1)C(=O)CCl Z1395264728 [0,1,0,1,0,0|1,0,0]=3 896 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,1,0,1,0,0|2,0,0]=4 897 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,1,0,0|1,0,0]=3 898 B8R1.39 COC(=O)C1(CO1)C Z1255365078 [0,1,0,1,0,0|1,0,0]=3 899 B8R1.39 O=C(CCl)C1(CC1)Cl Z1198174332 [0,1,0,1,0,0|2,0,0]=4 900 B8R1.39 O=C(CCl)C1(CC1)F Z1649763687 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,1,0,0|0,0,1]=3 902 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|1,0,1]=4 903 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,1,0,1,0,0|1,0,1]=4 904 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|1,0,0]=3 905 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,1,0,0|2,0,0]=4 906 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|1,0,0]=3 907 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,1,0,0|1,0,1]=4 908 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,1,0,1,0,0|2,0,0]=4 909 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|2,0,0]=4 910 B8R1.63 C#CC1(CC1)C(=O)O Z1205656207 [0,1,0,1,0,0|0,0,1]=3 911 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|0,0,0]=2 912 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,1,0,1,0,0|0,0,0]=2 913 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,1,0,1,0,0|0,0,1]=3 914 B8R1.63 NC(=O)C1(CC1)CO Z1201626390 [0,1,0,1,0,0|1,0,0]=3 915 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,1,0,0|0,0,0]=2 916 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,1,0,0|0,0,0]=2 917 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,1,0,0|0,0,1]=3 918 B8R1.21 CC1CC1S(=O)(=O)N Z2418729163 [0,1,0,1,0,0|1,0,1]=4 919 B8R1.55 NS(=O)(=O)C1CCC1 Z1255426083 [0,1,0,1,0,0|1,0,1]=4 920 B8R1.70 CC1(CC1)S(=O)(=O)N Z1198322090 [0,1,0,1,0,0|1,0,1]=4 921 B8R1.77 CC1(CC1C(=N)N)C Z1203638454 [0,1,0,1,0,0|2,0,0]=4 922 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|0,0,0]=2 923 B8R1.77 NC(=O)C1CC1(F)F Z1203638703 [0,1,0,1,0,0|2,0,0]=4 924 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [0,1,0,1,0,0|1,0,0]=3 925 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [0,1,0,1,0,0|1,0,0]=3 926 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,2,0,0|1,0,1]=4 927 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|1,0,0]=3 928 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|1,0,0]=3 929 B8R2.1 C1CC(C1)C2CO2 Z1407119362 [0,0,0,2,0,0|1,0,1]=4 930 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,0,0,0,0,2|1,0,0]=3 931 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,0,0,0,2|1,0,1]=4 932 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,0,0,0,0,2|1,0,1]=4 933 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,0,0,0,0,2|1,0,0]=3 934 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,0,0,0,2|0,0,0]=2 935 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,0,0,0,0,2|0,0,0]=2 936 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,0,0,0,0,2|0,0,0]=2 937 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,0,0,0,0,2|1,0,0]=3 938 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,0,0,0,0,2|1,0,0]=3 939 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,0,0,0,0,2|1,0,0]=3 940 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,0,0,0,0,2|2,0,0]=4