0 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.19 CC(C)C1(CC1)N Z2216303073 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.19 CC(N)C1(CC1)F Z1510158579 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,0,0,0|0,0,0]=0 10 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,0,0,0|1,0,0]=1 11 B6R1.7 C#CC1(CC1)C Z1861999732 [1,0,0,0,0,0|2,0,1]=4 12 B6R1.7 C#CC1(CC1)N Z1203653659 [1,0,0,0,0,0|1,0,1]=3 13 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,0,0,0|1,0,0]=2 14 B6R1.7 CC1(CC1)CN Z1335657802 [1,0,0,0,0,0|2,0,1]=4 15 B6R1.7 CCC1(CC1)N Z2234631229 [1,0,0,0,0,0|1,0,1]=3 16 B6R1.7 CNC1(CC1)C Z2310723089 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.7 N#CC1(CC1)N Z1741972043 [1,0,0,0,0,0|1,0,1]=3 18 B6R1.7 NC1(CC1)CO Z1741975623 [1,0,0,0,0,0|0,0,1]=2 19 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.11 CC(N)C1CC1 Z89283349 [1,0,0,0,0,0|2,0,1]=4 21 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,0,0,0|2,0,0]=3 22 B6R1.11 O=S([O-])C1CC1 Z1741965693 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,0,0,0|0,0,0]=1 24 B8R1.39 CC1(CC1)C(=O)CCl Z1395264728 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,1,0,0,0,0|1,0,0]=2 26 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,0,0,0|0,0,0]=1 27 B8R1.39 COC(=O)C1(CO1)C Z1255365078 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.39 COC(C)C1(CC1)N Z5185499673 [0,1,0,0,0,0|1,0,1]=3 29 B8R1.39 NC1(CC1)C(O)CO Z4280384138 [0,1,0,0,0,0|0,0,2]=3 30 B8R1.39 NCC(O)C1(CC1)Cl Z4312159091 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.39 O=C(CCl)C1(CC1)Cl Z1198174332 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.39 O=C(CCl)C1(CC1)F Z1649763687 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.63 C#CC1(CC1)C(=O)O Z1205656207 [0,1,0,0,0,0|1,0,0]=2 34 B8R1.63 CC(C)C1(CC1)CN Z1374884909 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,0,0,0|0,0,0]=1 36 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,1,0,0,0,0|0,0,1]=2 38 B8R1.63 NC(=O)C1(CC1)CO Z1201626390 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,0,0,0|0,0,0]=1 40 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.70 CC(F)(F)C1(CC1)N Z3334830417 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.70 CC1(CC1)S(=O)(=O)N Z1198322090 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.70 NC1(CC1)C(F)(F)F Z1578014181 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.70 NS(=O)(=O)C1(CC1)Cl Z1999522501 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,1,0,0,0|0,0,2]=3 47 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,1,0,0,0|2,0,1]=4 48 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,1,0,0,0|2,0,0]=3 49 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,1,0,0,0|2,0,0]=3 50 B6R0.3 CC(O)C(N)CN Z1250080890 [0,0,1,0,0,0|2,0,1]=4 51 B6R0.3 CCC(C)C(=N)N Z823287482 [0,0,1,0,0,0|3,0,0]=4 52 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,1,0,0,0|2,0,0]=3 53 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,1,0,0,0|1,0,0]=2 54 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,1,0,0,0|0,0,0]=1 55 B6R0.3 CCC(N)C(C)C Z823287438 [0,0,1,0,0,0|2,0,1]=4 56 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,1,0,0,0|2,0,0]=3 57 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,1,0,0,0|1,0,0]=2 58 B6R0.3 CCC(O)C(C)O Z1251352132 [0,0,1,0,0,0|2,0,1]=4 59 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,1,0,0,0|0,0,0]=1 60 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,1,0,0,0|1,0,0]=2 61 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,1,0,0,0|0,0,0]=1 62 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,1,0,0,0|2,0,0]=3 63 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,0,1,0,0,0|3,0,0]=4 64 B6R0.3 COC(C)C(=O)C Z447898138 [0,0,1,0,0,0|3,0,0]=4 65 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,1,0,0,0|3,0,0]=4 66 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,1,0,0,0|2,0,0]=3 67 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,1,0,0,0|2,0,0]=3 68 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,1,0,0,0|1,0,0]=2 69 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,1,0,0,0|1,0,0]=2 70 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,1,0,0,0|1,0,0]=2 71 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,1,0,0,0|3,0,0]=4 72 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,1,0,0,0|2,0,0]=3 73 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,1,0,0,0|1,0,0]=2 74 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,1,0,0,0|1,0,0]=2 75 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,1,0,0,0|1,0,0]=2 76 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,1,0,0,0|2,0,1]=4 77 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,0,1,0,0,0|2,0,0]=3 78 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,0,1,0,0,0|2,0,0]=3 79 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,0,1,0,0,0|3,0,0]=4 80 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,0,1,0,0,0|2,0,0]=3 81 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,0,1,0,0,0|2,1,0]=4 82 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,0,1,0,0,0|1,0,0]=2 83 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,0,1,0,0,0|1,0,0]=2 84 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,0,1,0,0,0|0,0,0]=1 85 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,0,1,0,0,0|3,0,0]=4 86 B6R0.7 CC(C)C(C)(C)N Z1270446314 [0,0,1,0,0,0|2,0,1]=4 87 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,0,1,0,0,0|2,0,0]=3 88 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,0,1,0,0,0|1,0,1]=3 89 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [0,0,1,0,0,0|3,0,0]=4 90 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [0,0,1,0,0,0|3,0,0]=4 91 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [0,0,1,0,0,0|3,0,0]=4 92 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [0,0,1,0,0,0|3,0,0]=4 93 B8R2.41 ClC1(CC1)C2CO2 Z4383882726 [0,0,0,1,0,0|2,0,1]=4 94 B8R2.41 NC1(CC1)C2CC2 Z1428159348 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.42 CC(C)CC1(CC1)N Z2574360283 [0,0,0,0,0,1|2,0,1]=4 96 B8R1.42 CC1(CC1)CC(=N)N Z3804798505 [0,0,0,0,0,1|3,0,0]=4 97 B8R1.42 CN(C)CC1(CC1)N Z3018642735 [0,0,0,0,0,1|3,0,0]=4 98 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,0,0,0,0,1|1,0,0]=2 99 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,0,0,0,0,1|2,0,0]=3 100 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,0,0,0,0,1|1,0,0]=2 101 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,0,0,0,0,1|1,0,0]=2 102 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,0,0,0,0,1|1,0,0]=2 103 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,0,0,0,0,1|1,0,0]=2 104 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,0,0,0,0,1|2,0,0]=3 105 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,0,0,0,0,1|0,0,0]=1 106 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,0,0,0,0,1|0,0,0]=1 107 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,0,0,0,0,1|1,0,0]=2 108 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,0,0,0,0,1|1,0,0]=2 109 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,0,0,0,0,1|1,0,0]=2 110 B5R0.1 C#CCC(=O)O Z295890060 [1,0,1,0,0,0|0,0,2]=4 111 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,1,0,0,0|0,0,2]=4 112 B5R0.1 CC(=O)CCO Z906206900 [1,0,1,0,0,0|2,0,0]=4 113 B5R0.1 CCCC(=N)N Z1198394172 [1,0,1,0,0,0|2,0,0]=4 114 B5R0.1 CCCC(=O)N Z33546461 [1,0,1,0,0,0|1,0,0]=3 115 B5R0.1 CCCC(=O)O Z104495380 [1,0,1,0,0,0|0,0,0]=2 116 B5R0.1 CCOC(=O)N Z33546369 [1,0,1,0,0,0|2,0,0]=4 117 B5R0.1 CNCC(=O)N Z415678308 [1,0,1,0,0,0|2,0,0]=4 118 B5R0.1 CNCC(=O)O Z104480276 [1,0,1,0,0,0|1,0,0]=3 119 B5R0.1 COCC(=O)N Z33546778 [1,0,1,0,0,0|2,0,0]=4 120 B5R0.1 COCC(=O)O Z104477404 [1,0,1,0,0,0|1,0,0]=3 121 B5R0.1 CSCC(=O)N Z33545668 [1,0,1,0,0,0|2,0,0]=4 122 B5R0.1 N#CCC(=O)O Z104476112 [1,0,1,0,0,0|1,0,1]=4 123 B5R0.1 NC(=O)CCO Z431951940 [1,0,1,0,0,0|2,0,0]=4 124 B5R0.1 NCCC(=O)N Z415728050 [1,0,1,0,0,0|2,0,0]=4 125 B5R0.1 NCCC(=O)O Z57127544 [1,0,1,0,0,0|1,0,0]=3 126 B5R0.1 NOCC(=O)O Z90662171 [1,0,1,0,0,0|2,0,0]=4 127 B5R0.1 O=C(O)CCCl Z203045320 [1,0,1,0,0,0|1,0,0]=3 128 B5R0.1 O=C(O)CCS Z104474322 [1,0,1,0,0,0|1,0,0]=3 129 B5R0.1 O=C(O)CNO Z1205493750 [1,0,1,0,0,0|2,0,0]=4 130 B5R0.3 C=CC(N)CO Z2146514374 [1,0,1,0,0,0|2,0,0]=4 131 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,1,0,0,0|1,0,1]=4 132 B5R0.3 CCC(N)C#N Z445129502 [1,0,1,0,0,0|1,0,1]=4 133 B5R0.3 CCC(N)CN Z1263714131 [1,0,1,0,0,0|1,0,1]=4 134 B5R0.3 CCC(N)CO Z104474862 [1,0,1,0,0,0|0,0,1]=3 135 B5R0.3 CCC(O)CO Z600450538 [1,0,1,0,0,0|1,0,1]=4 136 B5R0.3 CCN(C)C=O Z1258520870 [1,0,1,0,0,0|2,0,0]=4 137 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,0,1,0,0,0|1,0,1]=4 138 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,1,0,0,0|0,0,1]=3 139 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,1,0,0,0|0,0,1]=3 140 B5R0.3 NC(CO)CO Z1203577940 [1,0,1,0,0,0|1,0,1]=4 141 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,1,0,0,0|1,0,1]=4 142 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,1,0,0,0|1,0,0]=3 143 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,1,0,0,0|1,0,0]=3 144 B5R0.5 CC(C)C(=N)N Z381357616 [1,0,1,0,0,0|2,0,0]=4 145 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,1,0,0,0|1,0,0]=3 146 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,1,0,0,0|0,0,0]=2 147 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,1,0,0,0|1,0,1]=4 148 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,1,0,0,0|2,0,0]=4 149 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,1,0,0,0|1,0,0]=3 150 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,1,0,0,0|1,0,0]=3 151 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,1,0,0,0|0,0,0]=2 152 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,1,0,0,0|2,0,0]=4 153 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,1,0,0,0|1,0,0]=3 154 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,1,0,0,0|0,0,0]=2 155 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,1,0,0,0|1,0,0]=3 156 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,1,0,0,0|0,0,0]=2 157 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,1,0,0,0|2,0,0]=4 158 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,1,0,0,0|2,0,0]=4 159 B5R0.4 C=CC(C)(C)N Z2940715337 [1,0,1,0,0,0|1,0,0]=3 160 B5R0.4 CC(C)(C)CO Z397587176 [1,0,1,0,0,0|1,0,1]=4 161 B5R0.4 CC(C)(N)C#N Z57176535 [1,0,1,0,0,0|1,0,1]=4 162 B5R0.4 CC(C)(N)CN Z1266854946 [1,0,1,0,0,0|1,0,1]=4 163 B5R0.4 CC(C)(O)CO Z600454414 [1,0,1,0,0,0|1,0,1]=4 164 B5R0.4 CCC(C)(C)N Z104480062 [1,0,1,0,0,0|1,0,1]=4 165 B5R1.3 CNC1CC1 Z138412880 [2,0,0,0,0,0|2,0,0]=4 166 B5R1.3 N#CC1CC1 Z247612572 [2,0,0,0,0,0|1,0,1]=4 167 B5R1.3 OCC1CC1 Z104479000 [2,0,0,0,0,0|0,0,1]=3 168 B5R1.3 OCC1CO1 Z104476180 [2,0,0,0,0,0|1,0,1]=4 169 B5R1.3 OC[C@@H]1CO1 Z1222330631 [2,0,0,0,0,0|1,0,1]=4 170 B5R1.3 OC[C@H]1CO1 Z1222330633 [2,0,0,0,0,0|1,0,1]=4 171 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,1,1,0,0,0|1,0,1]=4 172 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,1,0,0,0|1,0,1]=4 173 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,1,0,0,0|0,0,1]=3 174 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,1,0,0,0|0,0,1]=3 175 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,1,0,0,0|1,0,0]=3 176 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,1,0,0,0|1,0,0]=3 177 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,1,0,0,0|0,0,0]=2 178 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,1,0,0,0|0,0,0]=2 179 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,1,0,0,0|0,0,0]=2 180 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,1,0,0,0|1,0,0]=3 181 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,1,0,0,0|1,0,0]=3 182 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,1,0,0,0|1,0,0]=3 183 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,1,0,0,0|1,0,0]=3 184 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,1,0,0,0|0,0,0]=2 185 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,1,0,0,0|1,0,0]=3 186 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,1,0,0,0|0,0,0]=2 187 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,1,0,0,0|0,0,0]=2 188 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,1,0,0,0|0,0,0]=2 189 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,1,0,0,0|1,0,0]=3 190 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,1,0,0,0|0,0,0]=2 191 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,1,0,0,0|1,0,0]=3 192 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,1,0,0,0|0,0,0]=2 193 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,1,0,0,0|0,0,0]=2 194 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,1,1,0,0,0|2,0,0]=4 195 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,1,0,0,0|2,0,0]=4 196 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,1,0,0,0|1,0,0]=3 197 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,1,0,0,0|2,0,0]=4 198 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,1,0,0,0|2,0,0]=4 199 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,1,0,0,0|2,0,0]=4 200 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,1,0,0,0|1,0,0]=3 201 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,1,0,0,0|1,0,0]=3 202 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,1,0,0,0|1,0,0]=3 203 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,1,0,0,0|2,0,0]=4 204 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,1,0,0,0|1,0,0]=3 205 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,1,0,0,0|2,0,0]=4 206 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,1,0,0,0|2,0,0]=4 207 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,1,0,0,0|2,0,0]=4 208 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,1,0,0,0|2,0,0]=4 209 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,1,0,0,0|2,0,0]=4 210 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,1,0,0,0|1,0,0]=3 211 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,1,0,0,0|1,0,0]=3 212 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,1,0,0,0|2,0,0]=4 213 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,1,0,0,0|1,0,0]=3 214 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,1,0,0,0|2,0,0]=4 215 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,1,0,0,0|1,0,0]=3 216 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,1,0,0,0|1,0,0]=3 217 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,1,0,0,0|0,0,0]=2 218 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,1,0,0,0|1,0,0]=3 219 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,1,0,0,0|2,0,0]=4 220 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,1,0,0,0|2,0,0]=4 221 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,1,0,0,0|2,0,0]=4 222 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,1,1,0,0,0|1,0,1]=4 223 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,1,0,0,0|0,0,1]=3 224 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,1,1,0,0,0|2,0,0]=4 225 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,1,0,0,0|1,0,1]=4 226 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,1,0,0,0|0,0,0]=2 227 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,1,0,0,0|1,0,0]=3 228 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,1,0,0,0|1,0,0]=3 229 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,1,0,0,0|1,0,0]=3 230 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,1,0,0,0|1,0,0]=3 231 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,1,0,0,0|1,0,0]=3 232 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,1,0,0,0|1,0,1]=4 233 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,1,0,0,0|1,0,0]=3 234 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,1,0,0,0|1,0,0]=3 235 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,1,0,0,0|1,0,0]=3 236 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,1,0,0,0|1,0,0]=3 237 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,1,0,0,0|0,0,0]=2 238 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,1,0,0,0|1,0,0]=3 239 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,1,0,0,0|1,0,0]=3 240 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,1,0,0,0|0,0,0]=2 241 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,1,0,0,0|0,0,0]=2 242 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,1,0,0,0|1,0,0]=3 243 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,1,0,0,0|1,0,0]=3 244 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,1,0,0,0|2,0,0]=4 245 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,1,0,0,0|0,0,0]=2 246 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,1,0,0,0|0,0,0]=2 247 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,1,0,0,0|2,0,0]=4 248 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,1,0,0,0|0,0,0]=2 249 B7R0.17 CC(C)(N)C(C)(C)O Z2738358101 [0,1,1,0,0,0|1,0,1]=4 250 B7R0.17 CC(C)(N)P(=O)(O)O Z57033887 [0,1,1,0,0,0|1,0,0]=3 251 B7R1.21 CC1(CC1)CC=O Z3247248393 [1,1,0,0,0,0|1,0,0]=3 252 B7R1.21 CC1(CC1)CCO Z1813155991 [1,1,0,0,0,0|1,0,1]=4 253 B7R1.21 CCCC1(CC1)N Z3072982019 [1,1,0,0,0,0|1,0,1]=4 254 B7R1.21 CNCC1(CC1)N Z5185499776 [1,1,0,0,0,0|1,0,1]=4 255 B7R1.21 COCC1(CC1)N Z2301519229 [1,1,0,0,0,0|0,0,1]=3 256 B7R1.21 NC1(CC1)CCO Z2211231673 [1,1,0,0,0,0|0,0,1]=3 257 B7R1.27 CC1CC1(C)C=O Z1513984691 [1,1,0,0,0,0|1,0,0]=3 258 B7R1.29 C#CC1(CC1)NC Z5610285650 [1,1,0,0,0,0|1,0,1]=4 259 B7R1.29 CCC1(CC1)C=O Z1511776317 [1,1,0,0,0,0|1,0,0]=3 260 B7R1.29 CCC1(CC1)CN Z1354487558 [1,1,0,0,0,0|1,0,1]=4 261 B7R1.29 CCC1(CC1)NC Z2310673213 [1,1,0,0,0,0|1,0,1]=4 262 B7R1.29 CNC1(CC1)CO Z2065788496 [1,1,0,0,0,0|0,0,1]=3 263 B7R1.29 COC1(CC1)C=O Z1511825466 [1,1,0,0,0,0|1,0,0]=3 264 B7R1.29 COC1(CC1)CN Z3681227829 [1,1,0,0,0,0|2,0,0]=4 265 B7R1.29 CSC1(CC1)C=O Z1511753214 [1,1,0,0,0,0|1,0,0]=3 266 B7R1.29 CSC1(CC1)CN Z1258769800 [1,1,0,0,0,0|2,0,0]=4 267 B7R1.29 N#CC1(CC1)C=O Z1767997246 [1,1,0,0,0,0|0,0,1]=3 268 B7R1.29 N#CC1(CC1)CN Z2418413988 [1,1,0,0,0,0|1,0,1]=4 269 B7R1.29 NCC1(CC1)CF Z2096087252 [1,1,0,0,0,0|1,0,1]=4 270 B7R1.29 NCC1(CC1)CO Z945434614 [1,1,0,0,0,0|0,0,1]=3 271 B7R1.29 O=CC1(CC1)CF Z1198729057 [1,1,0,0,0,0|1,0,0]=3 272 B7R1.29 OCC1(CC1)CO Z1255465434 [1,1,0,0,0,0|1,0,1]=4 273 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,1,0,0,0,0|1,0,0]=3 274 B7R1.12 CC1CC1C(=O)N Z33546780 [1,1,0,0,0,0|1,0,0]=3 275 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,1,0,0,0,0|0,0,0]=2 276 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,1,0,0,0,0|0,0,0]=2 277 B7R1.22 CC(C=O)C1CC1 Z1263529480 [1,1,0,0,0,0|1,0,1]=4 278 B7R1.22 CN(N=O)C1CC1 Z1934631325 [1,1,0,0,0,0|2,0,0]=4 279 B7R1.22 CNC(=N)C1CC1 Z2120060845 [1,1,0,0,0,0|2,0,0]=4 280 B7R1.22 CNC(=O)C1CC1 Z32016401 [1,1,0,0,0,0|1,0,0]=3 281 B7R1.22 N/C(=N\O)/C1CC1 Z335452744 [1,1,0,0,0,0|1,0,0]=3 282 B7R1.22 N=C(NN)C1CC1 Z951367962 [1,1,0,0,0,0|2,0,0]=4 283 B7R1.22 NC(CO)C1CC1 Z1362754532 [1,1,0,0,0,0|1,0,1]=4 284 B7R1.22 NCC(O)C1CC1 Z802856322 [1,1,0,0,0,0|1,0,1]=4 285 B7R1.22 NNC(=O)C1CC1 Z56891400 [1,1,0,0,0,0|1,0,0]=3 286 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [1,1,0,0,0,0|1,0,0]=3 287 B7R1.22 O=C(CO)C1CC1 Z1172087188 [1,1,0,0,0,0|0,0,0]=2 288 B7R1.22 O=C(NO)C1CC1 Z59183989 [1,1,0,0,0,0|0,0,0]=2 289 B7R1.26 CC(C)(O)C1CC1 Z449374598 [1,1,0,0,0,0|1,0,1]=4 290 B7R1.26 NS(=O)(=O)C1CC1 Z1233201610 [1,1,0,0,0,0|1,0,1]=4 291 B9R1.111 CC(C(=O)O)C1(CC1)N Z2327568962 [0,1,0,0,0,1|0,0,0]=2 292 B9R1.111 CC1(CC1)C(N)C(=O)O Z2940229290 [0,1,0,0,0,1|1,0,0]=3 293 B9R1.113 CC1(CC1)CC(=O)CCl Z2418118063 [0,1,0,0,0,1|2,0,0]=4 294 B9R1.113 COC(=O)CC1(CC1)N Z1820077282 [0,1,0,0,0,1|0,0,0]=2 295 B9R1.128 NCC1(CC1)CC(=O)N Z2335647091 [0,1,0,0,0,1|1,0,0]=3 296 B9R1.128 NCC1(CC1)CC(=O)O Z2310723116 [0,1,0,0,0,1|0,0,0]=2 297 B9R1.128 O=C(O)CC1(CC1)CO Z1205656498 [0,1,0,0,0,1|1,0,0]=3 298 B9R1.128 O=C(O)CC1(CC1)CS Z1205493686 [0,1,0,0,0,1|1,0,0]=3 299 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [0,1,0,0,0,1|1,0,0]=3 300 B9R1.119 CCC1(COC1)C(=O)O Z1205656653 [0,1,0,0,0,1|1,0,0]=3 301 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [0,1,0,0,0,1|0,0,0]=2 302 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [0,1,0,0,0,1|1,0,0]=3 303 B9R1.119 N#CC1(CCC1)C(=O)O Z825761124 [0,1,0,0,0,1|0,0,1]=3 304 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [0,1,0,0,0,1|0,0,0]=2 305 B9R1.119 O=C(O)C1(CCC1)CO Z1263714391 [0,1,0,0,0,1|1,0,0]=3 306 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,1,0,0,0,1|0,0,0]=2 307 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [0,1,0,0,0,1|1,0,0]=3 308 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,1,0,0,0,1|0,0,0]=2 309 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,1,0,0,0,1|0,0,0]=2 310 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,1,0,0,0,1|0,0,0]=2 311 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,1,0,0,0,1|0,0,0]=2 312 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [0,1,0,0,0,1|1,0,0]=3 313 B9R1.186 COC(=O)C1(CCC1)O Z787621610 [0,1,0,0,0,1|1,0,0]=3 314 B9R1.186 COC(=O)C1(CNC1)C Z1255493452 [0,1,0,0,0,1|1,0,0]=3 315 B9R1.130 CC1CC1(C#N)C(=O)O Z1650185273 [0,2,0,0,0,0|0,0,1]=3 316 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [0,2,0,0,0,0|0,0,0]=2 317 B9R1.169 CC1(CC1(F)F)C(=O)O Z1201624185 [0,2,0,0,0,0|1,0,0]=3 318 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,2,0,0,0,0|0,0,0]=2 319 B9R1.188 COC(=O)[C@]1(C[C@H]1C)N Z4178104558 [0,2,0,0,0,0|0,0,0]=2 320 B9R1.63 COC(C)(C)C1(CC1)N Z5183373622 [0,2,0,0,0,0|1,0,1]=4 321 B9R1.74 CCNC(=O)C1(CC1)N Z1457935649 [0,2,0,0,0,0|1,0,0]=3 322 B9R1.74 CCOC(=O)C1(CO1)C Z1651105663 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.190 COC(=O)C1(CC1)C#N Z825761104 [0,2,0,0,0,0|0,0,1]=3 324 B9R1.190 COC(=O)C1(CC1)CN Z1728629600 [0,2,0,0,0,0|0,0,0]=2 325 B9R1.190 COC(=O)C1(CC1)OC Z1486030204 [0,2,0,0,0,0|1,0,0]=3 326 B9R1.126 CS(=O)(=O)C1(CC1)CN Z1946684557 [0,2,0,0,0,0|1,0,1]=4 327 B9R1.126 NCC1(CC1)S(=O)(=O)N Z2786051780 [0,2,0,0,0,0|1,0,1]=4 328 B9R1.168 CC(C)C1(CC1)C(=O)O Z1205498035 [0,2,0,0,0,0|1,0,0]=3 329 B9R1.168 CN(C)C1(CC1)C(=O)N Z5626864834 [0,2,0,0,0,0|1,0,0]=3 330 B9R1.168 CN(C)C1(CC1)C(=O)O Z1205494515 [0,2,0,0,0,0|0,0,0]=2 331 B9R1.168 NC(=O)C1(CC1)C(=O)O Z951182684 [0,2,0,0,0,0|0,0,0]=2 332 B9R1.179 C#CCC1(CC1)C(=O)O Z1321881090 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [0,2,0,0,0,0|1,0,0]=3 335 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,1,1,0,0|1,0,1]=4 336 B7R1.4 CC1CCCC1=O Z813018382 [0,0,1,1,0,0|2,0,0]=4 337 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,1,1,0,0|2,0,0]=4 338 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,0,1,1,0,0|1,0,1]=4 339 B7R1.4 NC1CCOC1=O Z56921763 [0,0,1,1,0,0|0,0,0]=2 340 B7R1.4 NC1CCSC1=O Z56922158 [0,0,1,1,0,0|0,1,0]=3 341 B7R1.4 NC1CONC1=O Z336087816 [0,0,1,1,0,0|2,0,0]=4 342 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,1,1,0,0|1,0,0]=3 343 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,1,1,0,0|1,0,1]=4 344 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,1,1,0,0|1,0,1]=4 345 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,1,1,0,0|0,1,0]=3 346 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,1,1,0,0|2,0,0]=4 347 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,1,1,0,0|1,0,1]=4 348 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,1,1,0,0|0,1,0]=3 349 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,1,1,0,0|2,0,0]=4 350 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,1,1,0,0|2,0,0]=4 351 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,1,1,0,0|2,0,0]=4 352 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,1,1,0,0|2,0,0]=4 353 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,1,1,0,0|1,0,0]=3 354 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,1,1,0,0|0,0,0]=2 355 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,1,1,0,0|2,0,0]=4 356 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,1,1,0,0|2,0,0]=4 357 B7R2.1 C1CC1C2CO2 Z1020679808 [1,0,0,1,0,0|1,0,1]=4 358 B9R2.139 O=C1CC2(CC2)CN1 Z1837069711 [0,0,0,1,0,1|2,0,0]=4 359 B9R2.140 O=C1CCC12CCC2 Z1198313571 [0,0,0,1,0,1|2,0,0]=4 360 B9R2.140 O=C1NCC12CCC2 Z2375645218 [0,0,0,1,0,1|2,0,0]=4 361 B9R2.145 O=C(O)C12CC(C1)C2 Z1205493798 [0,0,0,1,0,1|1,0,0]=3 362 B9R2.5 O=C1OCCC12CO2 Z3038215235 [0,1,0,1,0,0|2,0,0]=4 363 B9R2.5 OC1CCNC12CC2 Z3243520641 [0,1,0,1,0,0|1,0,1]=4 364 B9R2.5 OC1CNCC12CC2 Z1964347421 [0,1,0,1,0,0|1,0,1]=4 365 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,1,0,0,1|2,0,0]=4 366 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,1,0,0,1|1,0,1]=4 367 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,1,0,0,1|1,0,0]=3 368 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,1,0,0,1|2,0,0]=4 369 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,1,0,0,1|0,0,0]=2 370 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,1,0,0,1|2,0,0]=4 371 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,1,0,0,1|2,0,0]=4 372 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,1,0,0,1|2,0,0]=4 373 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,1,0,0,1|2,0,0]=4 374 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,1,0,0,1|2,0,0]=4 375 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,0,1,0,0,1|2,0,0]=4 376 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,0,1,0,0,1|1,0,0]=3 377 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,0,1,0,0,1|2,0,0]=4 378 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,0,1,0,0,1|1,0,0]=3 379 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,0,1,0,0,1|1,0,0]=3 380 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,0,1,0,0,1|0,0,0]=2 381 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,0,1,0,0,1|1,0,0]=3 382 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,0,1,0,0,1|2,0,0]=4 383 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,0,1,0,0,1|1,0,1]=4 384 B7R1.25 C=CC1(CCC1)N Z3241265563 [1,0,0,0,0,1|1,0,0]=3 385 B7R1.25 CC1(CCC1)C=O Z1198728427 [1,0,0,0,0,1|1,0,0]=3 386 B7R1.25 CC1(COC1)C=O Z1198234536 [1,0,0,0,0,1|1,0,0]=3 387 B7R1.25 CC1(CSC1)C=O Z2732442937 [1,0,0,0,0,1|1,0,0]=3 388 B7R1.25 CCC1(CCC1)N Z1333043532 [1,0,0,0,0,1|1,0,1]=4 389 B7R1.25 N#CC1(CCC1)N Z406679978 [1,0,0,0,0,1|1,0,1]=4 390 B7R1.25 NC1(CCC1)CO Z1203581511 [1,0,0,0,0,1|0,0,1]=3 391 B7R1.25 OCC1(CCC1)O Z1537124745 [1,0,0,0,0,1|1,0,1]=4 392 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,0,0,1|1,0,0]=3 393 B7R1.20 NC(=NC1CC1)N Z1815149162 [1,0,0,0,0,1|2,0,0]=4 394 B7R1.20 NC(=O)CC1CC1 Z365255854 [1,0,0,0,0,1|1,0,0]=3 395 B7R1.20 NC(=O)NC1CC1 Z57000532 [1,0,0,0,0,1|1,0,0]=3 396 B7R1.20 NC(=S)NC1CC1 Z85934238 [1,0,0,0,0,1|1,1,0]=4 397 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,0,0,1|0,0,0]=2 398 B9R1.147 CC1(CC1)C#CC(=O)O Z2079608413 [0,0,0,0,0,2|1,0,0]=3 399 B9R1.147 NC1(CC1)C#CC(=O)O Z4183251961 [0,0,0,0,0,2|0,0,0]=2 400 B9R1.171 NC(=O)CC1(CCC1)N Z1415889529 [0,0,0,0,0,2|1,0,0]=3 401 B9R1.171 NC1(CCC1)CC(=O)O Z1318147475 [0,0,0,0,0,2|0,0,0]=2 402 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,0,0,0,0,2|1,0,0]=3 403 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,0,0,0,0,2|2,0,0]=4 404 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,0,0,0,0,2|1,0,0]=3 405 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,0,0,0,0,2|1,0,0]=3 406 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,0,0,0,0,2|1,0,0]=3 407 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,0,0,0,0,2|1,0,0]=3 408 B9R1.163 CC1(CCNC1)C(=O)N Z1095299604 [0,0,0,0,0,2|2,0,0]=4 409 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,0,0,0,0,2|1,0,0]=3 410 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,0,0,0,0,2|1,0,0]=3 411 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,0,0,0,0,2|1,0,0]=3 412 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,0,0,0,0,2|2,0,0]=4 413 B9R1.163 NC(=O)C1(CCNC1)O Z1809367630 [0,0,0,0,0,2|2,0,0]=4 414 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,0,0,0,0,2|0,0,0]=2 415 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,0,0,0,0,2|0,0,0]=2 416 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,0,0,0,0,2|0,0,0]=2 417 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,0,0,0,0,2|0,0,0]=2 418 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,0,0,0,0,2|1,0,0]=3 419 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,0,0,0,0,2|1,0,0]=3 420 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,0,0,0,0,2|1,0,0]=3