0 B6R0.3 C#CC(C)N(C)C Z4928730999 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 CC(C)C(C)C#N Z415654752 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 CC(C)C(C)CN Z415654990 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CC(CN)N(C)C Z367452450 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 CC(N)C(C)CO Z1203581847 [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|3,0,0]=3 10 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,0,0|2,0,0]=2 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|3,0,0]=3 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|3,0,0]=3 16 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,0,0|3,0,0]=3 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|2,0,2]=4 19 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|3,0,0]=3 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|2,0,0]=2 25 B6R0.3 CNC(C)C(C)C Z139701846 [0,0,0,0,0,0|2,0,1]=3 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|2,1,0]=3 29 B6R0.3 COC(C)C(=O)C Z447898138 [0,0,0,0,0,0|0,1,0]=1 30 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,0,0,0,0|1,1,0]=2 31 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,0,0|1,1,0]=2 32 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,0,0,0,0,0|1,1,1]=3 33 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,0,0,0,0,0|1,1,1]=3 34 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,0,0,0,0,0|2,0,0]=2 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|0,0,2]=2 37 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,0,0,0,0,0|4,0,0]=4 38 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|4,0,0]=4 39 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|4,0,0]=4 40 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|4,0,0]=4 41 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|4,0,0]=4 44 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|4,0,0]=4 45 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|4,0,0]=4 46 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 CNCC(C)C Z951367674 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 CNCC(C)N Z1413780485 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|2,1,0]=4 62 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|1,1,0]=3 63 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,1,0]=3 64 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|0,1,2]=4 65 B5R0.1 COC[C@@H](C)N Z1270482298 [1,0,0,0,0,0|1,1,1]=4 66 B5R0.1 COC[C@H](C)N Z1270502316 [1,0,0,0,0,0|1,1,1]=4 67 B5R0.1 CS(=O)CC#N Z1198176972 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|0,0,2]=3 72 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,1,0]=4 79 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 C/N=C(\N)/SC Z107728770 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 CCC(C)CN Z2350903977 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.3 CCC(C)NC Z594038230 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.3 CCN(C)N=O Z1198147516 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.3 CNC(C)CN Z941154208 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.3 COC(C)CN Z1795817756 [1,0,0,0,0,0|1,1,1]=4 90 B5R0.3 COC(C)CO Z1198150719 [1,0,0,0,0,0|0,1,2]=4 91 B5R0.3 CSC(C)CN Z844632970 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.3 CSC(C)CO Z1273053291 [1,0,0,0,0,0|0,0,2]=3 93 B5R0.5 CC(=N)N(C)C Z1428159819 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|1,1,1]=4 95 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.5 CC(C)C(=N)N Z381357616 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|1,0,0]=2 99 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|1,0,0]=2 100 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.5 CC(N)C(C)N Z2335631664 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.5 CC(O)C(=N)N Z2216711526 [1,0,0,0,0,0|2,1,0]=4 107 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|1,1,0]=3 108 B5R0.5 CC(O)C(C)O Z104473532 [1,0,0,0,0,0|0,1,2]=4 109 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|1,0,0]=2 110 B5R0.5 CN(C)C(=N)N Z1839480548 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.5 CN(C)C(=S)N Z56347524 [1,0,0,0,0,0|2,1,0]=4 112 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.5 NC(=O)C(F)F Z33546481 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,0,0|3,0,0]=4 118 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.5 CC(C)C(C)CCN Z4760484132 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|3,0,0]=4 126 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.5 CCNC(C)C(C)C Z910842872 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,0,0,0,0|1,1,1]=4 131 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,1,0,0,0,0|2,1,0]=4 132 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|1,1,0]=3 133 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.5 CNCC(C)C(C)C Z3894049929 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|1,1,0]=3 137 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|2,1,0]=4 138 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|3,0,0]=4 144 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.10 CCC(=O)C(C)C#N Z385381340 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,1,0,0,0,0|1,0,2]=4 153 B7R0.10 CCC(C)C(O)CN Z802901690 [0,1,0,0,0,0|1,0,2]=4 154 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.10 CNC(=N)C(C)OC Z2759956061 [0,1,0,0,0,0|1,1,0]=3 158 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.10 CNC(=O)N(C)N=O Z1198155659 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|2,0,0]=3 163 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,0,0,0,0|0,0,0]=1 164 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,1,0,0,0,0|3,0,0]=4 174 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,0,0|3,0,0]=4 175 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,1,0,0,0,0|3,0,0]=4 176 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,0,0|3,0,0]=4 177 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,0,0|3,0,0]=4 178 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,0,0|3,0,0]=4 179 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|3,0,0]=4 180 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|3,0,0]=4 181 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.13 CCC(C)(C)C(C)C Z1198148974 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,1,0,0,0,0|2,0,0]=3 190 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,0,0,0,0|2,0,0]=3 191 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,1,0,0,0,0|0,1,0]=2 192 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,0,0,0,0|1,1,0]=3 193 B7R0.13 COC(C)(C)C(C)N Z2831701922 [0,1,0,0,0,0|1,1,1]=4 194 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,0,0,0,0|1,0,0]=2 195 B7R0.14 CC(C#N)S(=O)(=O)C Z844646608 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.14 CC(CN)S(=O)(=O)C Z2588063744 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.14 CNC(C)C(C)(C)C Z335451384 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,1,0,0,0,0|2,0,0]=3 201 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,1,0,0,0,0|2,1,0]=4 202 B7R0.15 CCC(CC)C(C)N Z728804288 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.15 CCC(CN)C(C)C Z608350088 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.15 CCC(CN)N(C)C Z367678736 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,0,0,0,0|2,0,0]=3 206 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|2,0,0]=3 207 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|1,1,0]=3 208 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|1,0,0]=2 209 B7R0.15 CCN(CC)C(=N)C Z56757228 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,1,0,0,0,0|1,1,0]=3 211 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|1,1,0]=3 213 B7R0.15 COC(CN)C(C)C Z2310718859 [0,1,0,0,0,0|1,1,1]=4 214 B7R0.15 COC(CO)C(C)C Z1898597061 [0,1,0,0,0,0|1,1,1]=4 215 B7R0.15 COC(OC)C(=O)N Z56754520 [0,1,0,0,0,0|1,1,0]=3 216 B7R0.15 COC(OC)C(C)N Z1079182758 [0,1,0,0,0,0|1,1,1]=4 217 B7R0.15 COC(OC)C(C)O Z1167044501 [0,1,0,0,0,0|0,1,2]=4 218 B7R0.15 CSC(CO)C(C)N Z1238540891 [0,1,0,0,0,0|1,0,1]=3 219 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|1,0,0]=2 221 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|2,0,0]=3 222 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|3,0,0]=4 226 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|3,0,0]=4 228 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|3,0,0]=4 231 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|3,0,0]=4 232 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|3,0,0]=4 234 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|2,0,0]=3 237 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|2,0,0]=3 240 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|3,0,0]=4 241 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|1,0,0]=2 242 B7R1.4 CC1CCCC1N Z1219738990 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.4 CC1CCNC1C Z1335657674 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.4 CC1SCCC1N Z2408712737 [0,0,0,1,0,0|1,0,1]=3 247 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.4 CN1CNCC1=O Z1601562352 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.4 CN1SC=CC1=O Z3227502095 [0,0,0,1,0,0|1,0,2]=4 251 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,0,0,1,0,0|2,0,1]=4 252 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,0,0,1,0,0|2,0,1]=4 253 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,0,0,1,0,0|1,0,2]=4 254 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,0,0,1,0,0|1,1,1]=4 255 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,0,0,1,0,0|1,0,2]=4 262 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [0,0,0,1,0,0|1,1,1]=4 263 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|1,0,0]=2 264 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,1,0,0|1,0,2]=4 268 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|2,0,0]=3 273 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,1,0,0|1,0,0]=2 276 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,0,1,0,0|0,1,0]=2 278 B7R1.19 CC(C)C1(CO1)C Z1020679970 [0,0,0,1,0,0|1,1,1]=4 279 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [0,0,0,1,0,0|3,0,0]=4 280 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|2,0,0]=3 282 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|3,0,0]=4 285 B7R1.22 CNC(C)C1CC1 Z270730248 [0,0,0,1,0,0|2,0,1]=4 286 B7R1.23 CNC1CC1(C)C Z1895742049 [0,0,0,1,0,0|2,0,1]=4 287 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,0,0,0,0,1|2,0,0]=3 288 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,0,0,0,0,1|3,0,0]=4 289 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,0,1|3,0,0]=4 290 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,0,1|2,0,1]=4 291 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,0,0,0,0,1|2,0,1]=4 292 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,1|2,0,0]=3 293 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,0,0,0,0,1|2,0,1]=4 294 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,0,0,0,1|2,0,0]=3 295 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,0,0,0,0,1|2,1,0]=4 296 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,1|3,0,0]=4 297 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,0,0,0,1|3,0,0]=4 298 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,0,0,0,0,1|2,0,0]=3 299 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,0,1|1,1,0]=3 300 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|1,0,1]=4 301 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|0,1,1]=4 302 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 303 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 304 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|1,1,0]=4 305 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|1,0,1]=4 306 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 308 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 310 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|0,0,2]=4 312 B4R0.1 CN(C)N=O Z1255485177 [2,0,0,0,0,0|2,0,0]=4 313 B4R0.1 CNC(=N)C Z2146515751 [2,0,0,0,0,0|2,0,0]=4 314 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|1,0,0]=3 315 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 316 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|1,1,0]=4 317 B4R0.1 CSC(=N)N Z1741980405 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 319 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 320 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,1,0]=4 321 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 322 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|2,0,0]=4 323 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|2,0,0]=4 324 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,1,0]=4 325 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|0,0,2]=4 326 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|0,1,0]=3 328 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.1 CCCN(C)N=O Z1198147496 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.1 CNC(=O)CC#N Z56945997 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|2,0,0]=4 339 B6R0.1 CNC(C)CSC Z995116552 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,0]=3 342 B6R0.1 CONC(=O)CCl Z234816732 [1,1,0,0,0,0|1,1,0]=4 343 B6R0.1 CSCC(C)CN Z732208434 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.1 CSCC(C)CO Z1270310211 [1,1,0,0,0,0|0,0,2]=4 345 B6R0.1 CSCC(O)CO Z1126770422 [1,1,0,0,0,0|0,0,2]=4 346 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|1,0,0]=3 349 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|2,0,0]=4 353 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.2 CN(C)CC(=O)N Z54750057 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.2 CS(=O)CC(=O)N Z1203581973 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.4 C#CCNC(=O)C Z220957448 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.4 CC(=O)CCC#N Z1251352415 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,1,0]=4 371 B6R0.4 CCSCC(C)N Z1203641186 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|0,1,0]=3 374 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,1,0]=4 375 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|1,1,0]=4 376 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.4 CSCCC(=N)N Z1266823407 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.8 CCC(C)(C)NC Z335250498 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.8 CCC(C)(N)CC Z1267881628 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.8 CCC(C)(O)CC Z449374480 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.8 CSC(C)(C)C#N Z1258769726 [1,1,0,0,0,0|1,0,1]=4 388 B6R0.8 CSC(C)(C)CN Z1203639115 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.9 C/N=C(/NC)\SC Z107728778 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.9 CCC(CC)NC Z1262254286 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.9 CCC(CN)OC Z2168541798 [1,1,0,0,0,0|0,1,1]=4 392 B6R0.9 CCC(CO)OC Z1255373272 [1,1,0,0,0,0|0,1,1]=4 393 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,1,0,0,0,0|0,0,0]=2 394 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [1,1,0,0,0,0|1,0,0]=3 395 B6R0.7 CC(C)(C)C(=N)N Z56771178 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.7 CC(C)(C)C(=O)N Z56895677 [1,1,0,0,0,0|1,0,0]=3 397 B6R0.7 CC(C)(C)C(=S)N Z278180216 [1,1,0,0,0,0|1,1,0]=4 398 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|1,0,0]=3 399 B6R0.7 CC(C)(N)C(=O)N Z752371206 [1,1,0,0,0,0|1,0,0]=3 400 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|1,0,0]=3 401 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.7 CC(C)C(C)(C)N Z1270446314 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [1,1,0,0,0,0|2,0,0]=4 404 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,1,0,0,0,0|2,0,0]=4 405 B6R0.7 CC(N)C(C)(C)F Z3487099771 [1,1,0,0,0,0|1,0,1]=4 406 B6R0.7 CC(O)C(C)(C)N Z3688848535 [1,1,0,0,0,0|0,0,2]=4 407 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,0,1|2,0,0]=4 408 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,1|2,0,0]=4 409 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,0,1|2,0,0]=4 410 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,1|2,0,0]=4 411 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,1|2,0,0]=4 412 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,1|2,0,0]=4 413 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,1|2,0,0]=4 414 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,1|2,0,0]=4 415 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,0,0,0,1|1,1,0]=4 416 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,0,0,0,1|1,0,0]=3 417 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,0,0,0,1|1,0,0]=3 418 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,0,0,0,1|2,0,0]=4 419 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,0,0,0,1|2,0,0]=4 420 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,0,0,0,1|2,0,0]=4 421 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,0,0,0,1|1,1,0]=4 422 B8R0.5 COCC(C)NC(=O)N Z56989549 [0,1,0,0,0,1|1,1,0]=4 423 B8R0.16 CC(=O)NC(CO)CO Z1203731713 [0,1,0,0,0,1|2,0,0]=4 424 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,1,0,0,0,1|2,0,0]=4 425 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,0,1|2,0,0]=4 426 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,1,0,0,0,1|1,1,0]=4 427 B8R0.19 CCC(C)NC(=O)CCl Z56853748 [0,1,0,0,0,1|1,0,0]=3 428 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,1,0,0,0,1|0,0,0]=2 429 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,0,1|2,0,0]=4 430 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,0,1|2,0,0]=4 431 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,0,1|2,0,0]=4 432 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,1|2,0,0]=4 433 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,1|2,0,0]=4 434 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,1,0,0,0,1|2,0,0]=4 435 B8R0.24 CNC(C)CS(=O)(=O)C Z991513554 [0,1,0,0,0,1|2,0,0]=4 436 B8R0.34 C#CC(C)(C)NC(=O)C Z1187696572 [0,1,0,0,0,1|1,0,1]=4 437 B8R0.34 CC(=O)NC(C)(C)C#N Z212046252 [0,1,0,0,0,1|2,0,0]=4 438 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [0,1,0,0,0,1|2,0,0]=4 439 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,1,0,0,0,1|2,0,0]=4 440 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,1,0,0,0,1|1,0,0]=3 441 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,1,0,0,0,1|1,1,0]=4 442 B8R0.3 CCC(C)C(=O)CC#N Z360167402 [0,2,0,0,0,0|1,0,0]=3 443 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.3 CCOC(=O)C(C)C#N Z878438822 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|1,0,0]=3 453 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,2,0,0,0,0|1,1,0]=4 455 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,2,0,0,0,0|1,1,0]=4 456 B8R0.8 CC(=O)N(C)CCCN Z319974634 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,2,0,0,0,0|1,0,0]=3 458 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|1,1,0]=4 460 B8R0.8 CNCCN(C)C(=O)C Z1190219530 [0,2,0,0,0,0|2,0,0]=4 461 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|1,1,0]=4 462 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|2,0,0]=4 463 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|2,0,0]=4 466 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,2,0,0,0,0|1,1,0]=4 474 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,2,0,0,0,0|1,1,0]=4 475 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|1,1,0]=4 476 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|1,1,0]=4 477 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,2,0,0,0,0|1,0,0]=3 478 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|1,1,0]=4 481 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,2,0,0,0,0|1,1,0]=4 484 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|1,1,0]=4 485 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,2,0,0,0,0|1,1,0]=4 486 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|1,0,0]=3 487 B8R0.13 CNC(=O)C(C)(C)CN Z878097856 [0,2,0,0,0,0|2,0,0]=4 488 B8R0.13 COC(=O)C(C)(C)C#N Z426040992 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.13 COC(=O)C(C)(C)CN Z1415893842 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.13 CSC(C)(C)[C@H](N)CO Z228588390 [0,2,0,0,0,0|1,0,1]=4 491 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|1,0,0]=3 492 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,2,0,0,0,0|1,0,0]=3 493 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|1,0,0]=3 494 B8R0.20 CCN(CC)C(=O)CN Z54747470 [0,2,0,0,0,0|2,0,0]=4 495 B8R0.20 COC(=O)C(CBr)CBr Z963753264 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.20 COC(=O)C(CN)CN Z3241252852 [0,2,0,0,0,0|2,0,0]=4 497 B8R0.20 COC(=O)C(OC)OC Z1013699654 [0,2,0,0,0,0|0,1,0]=3 498 B8R0.36 CCC(C)(C#N)C(=O)N Z1203583967 [0,2,0,0,0,0|2,0,0]=4 499 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,2,0,0,0,0|2,0,0]=4 500 B8R0.36 CCC(C)(CN)C(=O)N Z1473854538 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|2,0,0]=4 502 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|2,0,0]=4 503 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,2,0,0,0,0|2,0,0]=4 504 B8R0.36 COC(C)(OC)C(=O)C Z240126824 [0,2,0,0,0,0|0,1,0]=3 505 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|2,0,0]=4 506 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|2,0,0]=4 508 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|2,0,0]=4 509 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,2,0,0,0,0|2,0,0]=4 510 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|2,0,0]=4 511 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,2,0,0,0,0|2,0,0]=4 512 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,2,0,0,0,0|1,0,1]=4 513 B8R0.27 CC(N)C(C)S(=O)(=O)C Z1696822775 [0,2,0,0,0,0|2,0,0]=4 514 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,2,0,0,0,0|1,0,0]=3 517 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|2,0,0]=4 518 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|1,0,0]=3 519 B6R1.2 C=C1CCNC1 Z3019986853 [1,0,0,1,0,0|2,0,0]=4 520 B6R1.2 CC1=CCNC1 Z1203734447 [1,0,0,1,0,0|2,0,0]=4 521 B6R1.2 NC1CCSC1 Z1267885911 [1,0,0,1,0,0|1,0,1]=4 522 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|2,0,0]=4 523 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|1,0,0]=3 524 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 525 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|0,0,0]=2 526 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|2,0,0]=4 527 B6R1.2 OC1CCSC1 Z335244836 [1,0,0,1,0,0|0,0,2]=4 528 B6R1.6 CNC1CCC1 Z1263820270 [1,0,0,1,0,0|1,0,1]=4 529 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|1,0,0]=3 530 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|1,0,0]=3 531 B6R1.7 CCC1(CO1)C Z1020679924 [1,0,0,1,0,0|0,1,1]=4 532 B6R1.7 CNC1(CC1)C Z2310723089 [1,0,0,1,0,0|1,0,1]=4 533 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,0,0,1,0,1|1,0,0]=3 534 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,0,0,1,0,1|2,0,0]=4 535 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,0,0,1,0,1|0,1,1]=4 536 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,0,0,1,0,1|1,1,0]=4 537 B8R1.1 CSC1=NC(=O)CN1 Z2602503120 [0,0,0,1,0,1|1,0,1]=4 538 B8R1.1 CSC1CCC(C1)N Z1245790495 [0,0,0,1,0,1|1,0,1]=4 539 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,0,0,1,0,1|2,0,0]=4 540 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,0,0,1,0,1|2,0,0]=4 541 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,0,0,1,0,1|2,0,0]=4 542 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,0,0,1,0,1|2,0,0]=4 543 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,0,0,1,0,1|1,0,1]=4 544 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,0,0,1,0,1|1,0,0]=3 545 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,1,0,1|0,1,0]=3 546 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,1,0,1|1,0,0]=3 547 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,1,0,1|1,0,0]=3 548 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,1|2,0,0]=4 549 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,0,1,0,1|2,0,0]=4 550 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,0,0,1,0,1|2,0,0]=4 551 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,1,0,1|2,0,0]=4 552 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,0,0,1,0,1|1,0,1]=4 553 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,0,0,1,0,1|1,0,0]=3 554 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,0,0,1,0,1|1,0,0]=3 555 B8R1.34 CC(=O)NC1CNC1 Z1198175578 [0,0,0,1,0,1|2,0,0]=4 556 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,0,0,1,0,1|2,0,0]=4 557 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,1,0,1|2,0,0]=4 558 B8R1.43 CC(=O)C1CC1C#N Z1514030424 [0,0,0,1,0,1|2,0,0]=4 559 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,1|2,0,0]=4 560 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [0,0,0,1,0,1|2,0,0]=4 561 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [0,0,0,1,0,1|2,0,0]=4 562 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,0,1,0,1|2,0,0]=4 563 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|0,1,0]=3 567 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|0,0,0]=2 569 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,1,0,0|0,0,0]=2 570 B8R1.5 CN1CCNCC1=O Z1250100764 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,1,0,1,0,0|0,1,0]=3 578 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|1,1,0]=4 581 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,1,0,1,0,0|1,1,0]=4 583 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|1,1,0]=4 588 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|1,1,0]=4 591 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|1,1,0]=4 592 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|1,1,0]=4 596 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.19 CC1(NCCC1=O)C Z3235143689 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.46 CCN1CC(C1=O)N Z1633398454 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,1,0,0|1,1,0]=4 621 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.11 CC1CCCC1C=O Z1268606470 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.11 CC1OCCC1C=O Z1342837783 [0,1,0,1,0,0|0,1,1]=4 627 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,1,0,0|1,0,0]=3 629 B8R1.11 CCN1CCCC1=O Z1255438420 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.11 CCN1CCNC1=O Z1179328150 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.11 CSC1CCCC1N Z1203642543 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.11 N#CC1CCCC1=O Z951172672 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.38 CNC(=O)C1CNC1 Z1651744906 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.38 O=C(CCl)N1CCC1 Z57039583 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.39 CC1(CC1)C(=O)CCl Z1395264728 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.39 COC(=O)C1(CO1)C Z1255365078 [0,1,0,1,0,0|0,1,0]=3 646 B8R1.39 O=C(CCl)C1(CC1)Cl Z1198174332 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.39 O=C(CCl)C1(CC1)F Z1649763687 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,1,0,0|2,0,0]=4 651 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,1,0,0|1,1,0]=4 654 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,1,0,1,0,0|1,1,0]=4 656 B8R1.63 NC(=O)C1(CC1)CO Z1201626390 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|2,0,0]=4 660 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|2,0,0]=4 661 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|2,0,0]=4 662 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,0,0,0,0,2|1,0,0]=3 663 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,0,0,0,2|2,0,0]=4 664 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,0,0,0,0,2|2,0,0]=4 665 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,0,0,0,0,2|2,0,0]=4 666 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,0,0,0,0,2|1,1,0]=4 667 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,0,0,0,0,2|1,0,0]=3