0 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)C(N)CN Z1266933925 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,0,0,0,0,0|2,1,1]=4 4 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,0,0|2,1,0]=3 6 B6R0.3 CC(N)C(C)CO Z1203581847 [0,0,0,0,0,0|2,1,1]=4 7 B6R0.3 CC(O)C(N)CN Z1250080890 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.3 CCC(C)C(=N)N Z823287482 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 CCC(C)C(C)N Z335455612 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 CCC(N)C(C)C Z823287438 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,0,0,0,0,0|3,1,0]=4 21 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 COC(C)C(=N)N Z1365534351 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.3 COC(C)C(=O)C Z447898138 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,0,0|4,0,0]=4 29 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|1,1,0]=2 31 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|1,1,0]=2 36 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|1,0,0]=1 37 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|1,1,0]=2 38 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|1,1,0]=3 43 B5R0.1 CC(N)CCO Z385458430 [1,0,0,0,0,0|1,1,1]=4 44 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CN(C)CCS Z362025514 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,0,0,0,0|1,1,1]=4 62 B5R0.1 N#CCC(=N)N Z1198223505 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 N#CCC(=S)N Z57046941 [1,0,0,0,0,0|1,1,1]=4 66 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|1,1,0]=3 67 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|0,1,0]=2 68 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|2,1,0]=4 74 B5R0.3 C#CC(N)CO Z2235790715 [1,0,0,0,0,0|1,1,1]=4 75 B5R0.3 C=CC(N)CO Z2146514374 [1,0,0,0,0,0|1,1,0]=3 76 B5R0.3 CC(CN)CN Z951173758 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 CC(CN)CO Z406342068 [1,0,0,0,0,0|1,1,1]=4 78 B5R0.3 CC(CO)CS Z1262475362 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.3 CCC(C)CN Z2350903977 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 CCC(N)C#N Z445129502 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.3 CCC(N)CN Z1263714131 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.3 CCC(N)CO Z104474862 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.3 CCC(O)CN Z419084746 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,0,0,0,0,0|1,0,2]=4 86 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,0,0,0,0|1,0,2]=4 87 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,0,0,0,0|1,0,2]=4 88 B5R0.3 N#CC(N)CO Z2301438409 [1,0,0,0,0,0|0,1,2]=4 89 B5R0.3 NC(CO)CO Z1203577940 [1,0,0,0,0,0|0,1,2]=4 90 B5R0.3 NCC(F)CN Z2733320873 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.3 NCC(N)CN Z1203578196 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.3 NCC(O)CF Z2311274712 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.3 OCC(O)CS Z1255382958 [1,0,0,0,0,0|1,0,2]=4 94 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|2,0,1]=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|2,0,0]=3 100 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|1,0,0]=2 102 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|0,0,0]=1 104 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|1,0,0]=2 105 B5R0.5 CC(N)C(C)N Z2335631664 [1,0,0,0,0,0|1,0,1]=3 106 B5R0.5 CC(O)C(=N)N Z2216711526 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.5 CN(C)C(=N)N Z1839480548 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.5 CN(C)C(=S)N Z56347524 [1,0,0,0,0,0|2,1,0]=4 111 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|1,0,0]=2 112 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|0,0,0]=1 113 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|1,0,0]=2 114 B5R0.5 NC(=O)C(F)F Z33546481 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.5 NC(=S)C(=S)N Z56347000 [1,0,0,0,0,0|0,1,2]=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#CCC(N)C(=O)N Z1203582923 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|2,1,0]=4 133 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|1,1,0]=3 134 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|1,1,0]=3 138 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|1,1,0]=3 142 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|1,1,0]=3 143 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|0,1,0]=2 149 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|1,1,0]=3 153 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,1,0,0,0,0|2,1,0]=4 158 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,0,0|2,1,0]=4 163 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,0,0|2,0,0]=3 164 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|1,1,0]=3 165 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|2,1,0]=4 166 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,0,0,0,0|1,0,0]=2 170 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|3,0,0]=4 172 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,1,0,0,0,0|3,0,0]=4 176 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,1,0,0,0,0|2,1,0]=4 178 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,0,0,0,0|2,1,0]=4 179 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|3,0,0]=4 181 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|3,0,0]=4 182 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,1,0,0,0,0|2,0,1]=4 183 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.15 COC(OC)C(=O)N Z56754520 [0,1,0,0,0,0|3,0,0]=4 186 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|1,1,1]=4 188 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,0|1,1,1]=4 189 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|3,0,0]=4 191 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|3,0,0]=4 193 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|1,0,0]=2 194 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|2,1,0]=4 201 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|1,1,0]=3 202 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|1,1,0]=3 203 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|1,1,0]=3 204 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,0|0,1,1]=3 205 B7R1.4 C=C1COCC1N Z3066568668 [0,0,0,1,0,0|2,1,0]=4 206 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.4 NC1=CNNC1=O Z2216303144 [0,0,0,1,0,0|1,0,2]=4 210 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.4 NC1CONC1=O Z336087816 [0,0,0,1,0,0|0,1,0]=2 213 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [0,0,0,1,0,0|1,1,1]=4 217 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,0,1,0,0|0,1,0]=2 218 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,0,0,1,0,0|1,0,2]=4 219 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,0,1,0,0|0,1,0]=2 222 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|2,0,0]=3 234 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,0,1,0,0|2,1,0]=4 239 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,0,1,0,0|1,0,0]=2 243 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|3,0,0]=4 245 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,0,0,0,0,1|2,0,1]=4 246 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,0,1|3,0,0]=4 247 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,1|3,0,0]=4 248 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,0,0,0,1|2,0,0]=3 249 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,0,0,0,0,1|2,1,0]=4 250 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,1|2,0,0]=3 251 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,0,0,0,0,1|3,0,0]=4 252 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,0,0,0,0,1|2,0,1]=4 253 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,0,0,0,0,1|1,1,1]=4 254 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,0,0,0,1|3,0,0]=4 255 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,0,0,0,1|3,0,0]=4 256 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,0,0,0,1|3,0,0]=4 257 B4R0.1 C=C(Br)CN Z600439032 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|1,0,0]=3 259 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 261 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.1 CC(F)CN Z2941405027 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.1 CC(N)CF Z2096088772 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.1 CC(N)CN Z104474490 [2,0,0,0,0,0|0,0,1]=3 265 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,1]=4 266 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|1,0,0]=3 267 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|0,0,0]=2 268 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,0]=3 269 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|0,1,0]=3 270 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|2,0,0]=4 272 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|1,0,0]=3 273 B4R0.1 COC(=N)N Z1741976783 [2,0,0,0,0,0|2,0,0]=4 274 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|1,0,0]=3 275 B4R0.1 CSC(=N)N Z1741980405 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.1 C[C@@H](N)CN Z3234812272 [2,0,0,0,0,0|0,0,1]=3 277 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|0,0,2]=4 278 B4R0.1 C[C@H](N)CN Z1741977335 [2,0,0,0,0,0|0,0,1]=3 279 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,1]=4 280 B4R0.1 N=C(N)CCl Z204878288 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.1 N=C(N)CN Z3798800325 [2,0,0,0,0,0|1,0,0]=3 282 B4R0.1 N=C(N)CO Z1259341033 [2,0,0,0,0,0|1,1,0]=4 283 B4R0.1 N=C(N)NN Z1259217988 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|1,0,0]=3 285 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|1,0,0]=3 286 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|0,1,0]=3 287 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|1,1,0]=4 288 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|0,0,0]=2 289 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 290 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|1,0,0]=3 291 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,1,0]=4 293 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|1,0,1]=4 296 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|0,1,1]=4 297 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.1 CNC(=O)CC#N Z56945997 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|1,0,0]=3 305 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|0,1,0]=3 306 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.1 N#CCC(=O)NN Z104474618 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|2,0,0]=4 309 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.2 CC(C)NC(=O)N Z56887677 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.2 CN(C)CC(=O)N Z54750057 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.2 CS(=O)CC(=O)N Z1203581973 [1,1,0,0,0,0|1,1,0]=4 317 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.2 N=C(N)CC(=O)N Z104480060 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.2 NC(=O)CC(=O)N Z104473780 [1,1,0,0,0,0|0,1,1]=4 320 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,1,0,0,0,0|0,1,1]=4 321 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.4 C#CCNC(=O)N Z198194920 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.4 C#CCOC(=O)N Z1203578973 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.4 CC(=O)CCC#N Z1251352415 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.4 CCCCC(=N)N Z1723418909 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.4 CCCNC(=S)N Z56930715 [1,1,0,0,0,0|1,1,0]=4 335 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,0]=3 336 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,0]=3 337 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|2,0,0]=4 339 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|2,0,0]=4 340 B6R0.4 COCCC(=N)N Z1592042674 [1,1,0,0,0,0|1,1,0]=4 341 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,1,0]=4 342 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|0,1,0]=3 343 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|1,1,0]=4 344 B6R0.4 CSCCC(=N)N Z1266823407 [1,1,0,0,0,0|1,0,0]=3 345 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.4 N#CCCC(=N)N Z3771050569 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.4 N#CCCC(=O)N Z57160408 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.4 N#CCNC(=O)N Z600498544 [1,1,0,0,0,0|1,0,1]=4 349 B6R0.4 N=C(N)NCCN Z2235813444 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.4 N=C(N)NCCO Z911465228 [1,1,0,0,0,0|1,1,0]=4 351 B6R0.4 N=C(N)SCCO Z57111959 [1,1,0,0,0,0|1,1,0]=4 352 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|0,1,0]=3 353 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|0,1,0]=3 355 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|1,0,0]=3 359 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.5 NCCS(=O)(=O)N Z432066942 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.5 NS(=O)(=O)CCO Z1267897807 [1,1,0,0,0,0|1,1,0]=4 362 B6R0.5 O=S(=O)([O-])CCS Z594284202 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.8 CCC(C)(N)CN Z425861002 [1,1,0,0,0,0|1,0,1]=4 365 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.7 CC(C)(C)C(=N)N Z56771178 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.7 CC(C)(C)C(=O)N Z56895677 [1,1,0,0,0,0|1,0,0]=3 369 B6R0.7 CC(C)(C)C(=S)N Z278180216 [1,1,0,0,0,0|1,1,0]=4 370 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.7 CC(C)(N)C(=O)N Z752371206 [1,1,0,0,0,0|0,0,0]=2 372 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.7 NC(=O)C(Cl)(Cl)Cl Z104473774 [1,1,0,0,0,0|2,0,0]=4 377 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,0,1|2,0,0]=4 378 B8R0.5 COCC(C)NC(=O)N Z56989549 [0,1,0,0,0,1|1,1,0]=4 379 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,0,1|2,0,0]=4 380 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,1|2,0,0]=4 381 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,1,0,0,0,1|1,1,0]=4 382 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,1|0,1,1]=4 383 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,1|0,1,1]=4 384 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,1|0,1,1]=4 385 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|1,0,0]=3 387 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|2,0,0]=4 392 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,2,0,0,0,0|2,0,0]=4 393 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,2,0,0,0,0|2,0,0]=4 394 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|2,0,0]=4 396 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|2,0,0]=4 397 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|1,1,0]=4 398 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|1,1,0]=4 399 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|1,0,0]=3 400 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|2,0,0]=4 407 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,2,0,0,0,0|1,1,0]=4 408 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|2,0,0]=4 411 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,2,0,0,0,0|0,1,0]=3 412 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|1,1,0]=4 413 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|1,1,0]=4 417 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|1,1,0]=4 418 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,2,0,0,0,0|0,1,0]=3 419 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.13 CNC(=O)C(C)(C)CN Z878097856 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.20 COC(=O)C(CN)CN Z3241252852 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.36 CCC(C)(C#N)C(=O)N Z1203583967 [0,2,0,0,0,0|1,0,1]=4 425 B8R0.36 CCC(C)(CN)C(=O)N Z1473854538 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|1,1,0]=4 431 B8R0.26 NCC(CN)S(=O)(=O)N Z5470055857 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,2,0,0,0,0|1,0,0]=3 434 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|1,0,0]=3 436 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|1,0,0]=3 437 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|1,0,0]=3 438 B8R0.27 NC(=O)C(N)C(F)(F)F Z2171028120 [0,2,0,0,0,0|1,0,0]=3 439 B8R0.27 NC(C(=O)O)C(F)(F)F Z1837073442 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|2,0,0]=4 442 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.2 NC1=NNCC1 Z1569708704 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.2 NC1CCSC1 Z1267885911 [1,0,0,1,0,0|1,0,1]=4 445 B6R1.2 O=C1C=CSN1 Z1741980421 [1,0,0,1,0,0|0,0,2]=4 446 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,0]=3 447 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|1,0,0]=3 449 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|1,0,0]=3 450 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|2,0,0]=4 453 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,1,0,0|2,0,0]=4 454 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|2,0,0]=4 455 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|2,0,0]=4 456 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,0,0,1,0,1|2,0,0]=4 457 B8R1.1 NCC1=NC(=O)NN1 Z1324055645 [0,0,0,1,0,1|1,0,1]=4 458 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,0,0,1,0,1|2,0,0]=4 459 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,0,0,1,0,1|1,1,0]=4 460 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,0,0,1,0,1|2,0,0]=4 461 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,1|2,0,0]=4 462 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,1,0,1|2,0,0]=4 463 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,0,0,1,0,1|2,0,0]=4 464 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,0,0,1,0,1|0,1,1]=4 465 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,1,0,1|2,0,0]=4 466 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,0,0,1,0,1|2,0,0]=4 467 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,0,0,1,0,1|2,0,0]=4 468 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [0,0,0,1,0,1|2,0,0]=4 469 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [0,0,0,1,0,1|2,0,0]=4 470 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.7 N=C(N)C1CCNC1 Z2865416914 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,1,0,1,0,0|1,1,0]=4 483 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,1,0,1,0,0|0,0,0]=2 484 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,1,0,1,0,0|1,1,0]=4 498 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|1,1,0]=4 510 B8R1.38 CNC(=O)C1CNC1 Z1651744906 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,1,0,0|0,1,0]=3 517 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|0,1,0]=3 518 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.63 NC(=O)C1(CC1)CO Z1201626390 [0,1,0,1,0,0|1,1,0]=4 520 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.77 NC(=O)C1CC1(F)F Z1203638703 [0,1,0,1,0,0|2,0,0]=4 522 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|2,0,0]=4 523 B8R2.5 O=C1N[C@H]2[C@@H]1C=C2 Z3678520407 [0,0,0,2,0,0|2,0,0]=4 524 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|2,0,0]=4 525 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,0,0,0,0,2|2,0,0]=4