0 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.2 CC(C)CB(O)O PI-37377 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,0,0,0,0,0|3,1,0]=4 8 B6R0.2 CC(CC(=O)O)N PI-35438 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 CC(CC(=O)O)N PI-35481 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 CC(CC(=O)O)N PI-43821 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.2 CC(CC(=O)O)O PI-47070 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.2 CN(C)CC(=O)O PI-15416 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.2 CN(C)CC(=S)N PI-12763 [0,0,0,0,0,0|0,1,0]=1 16 B6R0.2 CN(CN(C)C)C PI-39543 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 BrCCN(C)C PI-41040 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 C(C#N)C(=S)N PI-30892 [1,0,0,0,0,0|2,1,0]=4 24 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 CC#CC(=O)O PI-12861 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CC=CC(=O)C PI-45740 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 CCCC(C)N PI-36925 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CCOC(=O)C PI-13192 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CCSC(=O)C PI-48509 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 CSCC(=O)N PI-36555 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 C\C=C\C(=O)N PI-50568 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 NC(CCC)=N PI-37197 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 NCCC(=O)O PI-14317 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 O=C(O)CCS PI-40342 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 O=C=NC(C)C PI-11403 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 O=S(CSC)C PI-39632 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 OC(CON)=O PI-37190 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.2 CC(C)CC(CO)N PI-35868 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.2 CN(C)CC(=O)NN PI-50370 [0,1,0,0,0,0|0,0,0]=1 54 B7R0.2 COC(=O)CC(C)N PI-42155 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.2 NC(C)CC(C)CC PI-36995 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.2 O\N=C(/N)\CN(C)C PI-36388 [0,1,0,0,0,0|0,0,1]=2 65 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.9 CC(C)(CN(C)C)N PI-49000 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.9 NC(=S)NC(C)(C)C PI-23057 [0,1,0,0,0,0|2,1,0]=4 75 B7R0.9 O=C(O)C[Si](C)(C)C PI-35314 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.9 [O-]C(=O)C[N+](C)(C)C PI-12795 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.2 C1C(=O)COC1=O PI-17979 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.2 C1C(CNC1=O)N PI-35851 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.2 C1C(COC1=O)O PI-28663 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.2 CC1COC(=O)N1 PI-35869 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.2 CN1CCC(O)C1 PI-33498 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.2 Cn1ccc(n1)N PI-38170 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,0,0,1,0,0|2,0,0]=3 116 B5R0.5 CC(=C)C(=O)C PI-41913 [0,0,0,0,1,0|2,0,1]=4 117 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,0,0,0,1,0|3,0,0]=4 118 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,0,0,0,1,0|3,0,0]=4 119 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,0,0,0,1,0|3,0,0]=4 120 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,0,0,0,1,0|3,0,0]=4 121 B5R0.5 CC(C(=O)C)Br PI-35002 [0,0,0,0,1,0|3,0,0]=4 122 B5R0.5 CC(C(=O)C)S PI-48502 [0,0,0,0,1,0|3,0,0]=4 123 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,0,0,0,1,0|3,0,0]=4 124 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,0,0,0,1,0|3,0,0]=4 125 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,0,0,0,1,0|3,0,0]=4 126 B5R0.5 CC(C(=O)N)C PI-28643 [0,0,0,0,1,0|1,0,0]=2 127 B5R0.5 CC(C(=O)N)N PI-16292 [0,0,0,0,1,0|2,0,0]=3 128 B5R0.5 CC(C(=O)N)N PI-42205 [0,0,0,0,1,0|2,0,0]=3 129 B5R0.5 CC(C(=O)O)Br PI-47030 [0,0,0,0,1,0|3,0,0]=4 130 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,0,0,0,1,0|3,0,0]=4 131 B5R0.5 CC(C(=O)O)F PI-40363 [0,0,0,0,1,0|3,0,0]=4 132 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,0,0,0,1,0|3,0,0]=4 133 B5R0.5 CN(C)C(=O)N PI-50675 [0,0,0,0,1,0|0,0,0]=1 134 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,0,0,0,1,0|3,0,0]=4 135 B5R0.5 C[C@H](C(=N)N)O PI-48998 [0,0,0,0,1,0|3,0,0]=4 136 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,0,0,0,1,0|3,0,0]=4 137 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [0,0,0,0,1,0|2,0,1]=4 138 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,0,0,0,1,0|3,0,0]=4 139 B5R0.5 OC(=O)C(=O)C PI-15477 [0,0,0,0,1,0|3,0,0]=4 140 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,0,0,0,0,1|2,0,1]=4 141 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,0,0,0,0,1|3,0,0]=4 142 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,0,0,0,0,1|3,0,0]=4 143 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,0,0,0,0,1|3,0,0]=4 144 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,0,0,0,0,1|3,0,0]=4 145 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,0,0,0,0,1|3,0,0]=4 146 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,0,0,0,0,1|2,0,0]=3 147 B7R0.6 CC(C)CCC(C)N PI-49380 [0,0,0,0,0,1|2,0,1]=4 148 B7R0.6 CN(C)C=C[N+](=O)[O-] PI-21936 [0,0,0,0,0,1|2,0,1]=4 149 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,0,0,0,0,1|2,0,0]=3 150 B4R0.1 C#CC(=O)N PI-48352 [2,0,0,0,0,0|0,0,2]=4 151 B4R0.1 C(=O)(N)NO PI-15345 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 C(C(=N)N)N PI-44870 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.1 C(C(=O)Cl)Br PI-46514 [2,0,0,0,0,0|2,0,0]=4 154 B4R0.1 C(C(=O)N)I PI-47045 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 C(C(=O)N)N PI-14271 [2,0,0,0,0,0|0,0,0]=2 156 B4R0.1 C(C(=O)[O-])Cl PI-44622 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 CC(=CBr)C PI-46509 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 CC(=O)CBr PI-38994 [2,0,0,0,0,0|2,0,0]=4 159 B4R0.1 CC(=O)NBr PI-47108 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 CC(C)CN PI-46903 [2,0,0,0,0,0|1,0,0]=3 161 B4R0.1 CC(CN)O PI-16659 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 CCC(=N)N PI-35437 [2,0,0,0,0,0|1,0,0]=3 163 B4R0.1 CN=C(N)N PI-12937 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.1 CNN(C)C PI-40655 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.1 COC(=N)N PI-30686 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.1 C[C@@H](O)CN PI-12234 [2,0,0,0,0,0|2,0,0]=4 167 B4R0.1 NC(=N)CCl PI-30038 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 NC(=O)CBr PI-10963 [2,0,0,0,0,0|1,0,0]=3 169 B4R0.1 NC[C@@H](N)C PI-39121 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.1 NNC(C)C PI-37110 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|1,0,1]=4 172 B4R0.2 CNCC#N PI-14282 [2,0,0,0,0,0|0,0,2]=4 173 B4R0.2 CNCC=C PI-41121 [2,0,0,0,0,0|1,0,0]=3 174 B4R0.2 ClCCNC PI-41980 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.1 C(C#N)C(=O)NN PI-50233 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.1 C(CS)C(=O)NN PI-50543 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.1 CC(CC=O)SC PI-48524 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.1 CC(CCN)CO PI-48961 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.1 CCCC(=O)NN PI-23070 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.1 CCCC(=O)SC PI-48512 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.1 CCOC(=O)NC PI-50343 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.1 CNCC(=O)OC PI-45586 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.1 COCC(=N)NO PI-36392 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.1 COCC(=O)NN PI-50354 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.1 NNC(OCC)=O PI-28515 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 C(=O)(C(=O)NN)N PI-44557 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.3 CC(C(=O)O)NC PI-27549 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.3 CC(C(=O)O)NC PI-27557 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.3 CCC(C(=O)C)S PI-48501 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.3 CCC(C(=O)N)N PI-10559 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.3 CCC(C(=O)O)N PI-28320 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.3 CCC(C(=O)O)N PI-43844 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.3 CN(C)C(=S)NN PI-47069 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.3 CNC(=O)C(=O)O PI-19400 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.3 NCC(=O)N(C)C PI-34626 [1,1,0,0,0,0|0,0,2]=4 200 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.4 C(C(=O)O)NC=O PI-33231 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 CC=CCC(=O)O PI-47130 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.4 CC=NNC(=O)N PI-26775 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.4 CCCNC(=O)N PI-19783 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.4 CCNCC(=O)O PI-43211 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.4 CN(C)CCCCl PI-50389 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.4 CN(C)CCCO PI-31996 [1,1,0,0,0,0|0,0,2]=4 209 B6R0.4 CN(C)CCON PI-47242 [1,1,0,0,0,0|0,0,1]=3 210 B6R0.4 CNCCN(C)C PI-39257 [1,1,0,0,0,0|0,0,1]=3 211 B6R0.4 CSCCC(=O)O PI-31992 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.4 ClCCCC(=O)C PI-39487 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.4 ClCCCN(C)C PI-34098 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.4 NC(=O)NCC#C PI-38748 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.4 NCCCC(=O)O PI-35917 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.4 O=C(O)CCCBr PI-40017 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.4 O=C(O)CCCCl PI-41227 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.4 O=C\C=C/N(C)C PI-12739 [1,1,0,0,0,0|0,0,1]=3 219 B6R0.4 OCCCC(=O)C PI-13555 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.4 [O-]C(=O)CNCO PI-36238 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.5 C=CC[Si](C)(C)C PI-35320 [1,1,0,0,0,0|2,0,0]=4 222 B6R0.5 O=CCC(C)(C)C PI-36862 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.7 CC(C)(C(=O)Cl)Br PI-44610 [0,1,0,0,1,0|2,0,0]=4 224 B6R0.7 CC(C)(C(=O)N)N PI-42207 [0,1,0,0,1,0|1,0,0]=3 225 B6R0.7 CC(C)(C(=O)N)O PI-15708 [0,1,0,0,1,0|1,0,0]=3 226 B6R0.7 CC(C)(C)C(=O)Cl PI-44939 [0,1,0,0,1,0|2,0,0]=4 227 B6R0.7 CC(C)(C)C(=O)N PI-19885 [0,1,0,0,1,0|1,0,0]=3 228 B6R0.7 CC(C)(N)C(O)=O PI-37329 [0,1,0,0,1,0|2,0,0]=4 229 B6R0.7 CC(S(=O)N)(C)C PI-38771 [0,1,0,0,1,0|2,0,0]=4 230 B6R0.7 CC([S@@](=O)N)(C)C PI-12385 [0,1,0,0,1,0|2,0,0]=4 231 B6R0.7 CN(C)S(=O)(=O)C PI-29972 [0,1,0,0,1,0|2,0,0]=4 232 B6R0.7 CN(C)S(=O)(=O)N PI-36527 [0,1,0,0,1,0|1,0,0]=3 233 B6R0.7 OC(=O)C(C)(C)O PI-11239 [0,1,0,0,1,0|2,0,0]=4 234 B6R0.7 [O-]C(=O)C(C)(C)C PI-38667 [0,1,0,0,1,0|2,0,0]=4 235 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,1,0,0,0,1|2,0,0]=4 236 B8R0.23 CC(=O)CC(=O)N(C)C PI-40778 [0,1,0,0,0,1|1,0,0]=3 237 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,1,0,0,0,1|2,0,0]=4 238 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,1,0,0,0,1|2,0,0]=4 239 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,1,0,0,0,1|2,0,0]=4 240 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,1,0,0,0,1|2,0,0]=4 241 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,1,0,0,0,1|2,0,0]=4 242 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,1,0,0,0,1|2,0,0]=4 243 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,1,0,0,0,1|2,0,0]=4 244 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [0,1,0,0,0,1|2,0,0]=4 245 B8R0.23 CN(C(=N)NC(=N)N)C PI-13516 [0,1,0,0,0,1|1,0,1]=4 246 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,1,0,0,0,1|1,0,0]=3 247 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,1,0,0,0,1|2,0,0]=4 248 B8R0.29 O=C(O)CNC(C)(C)C PI-40873 [0,1,0,0,0,1|2,0,0]=4 249 B8R0.29 OC(=O)COC(C)(C)C PI-22653 [0,1,0,0,0,1|2,0,0]=4 250 B8R0.2 CC(C(C(=O)NO)N)O PI-27523 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.2 CC(C(C(=O)O)N)OC PI-14941 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.2 CC(C(C(OC)=O)N)C PI-42147 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.2 CC(C)C(C(=O)OC)N PI-50332 [0,2,0,0,0,0|2,0,0]=4 254 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.2 COC(=O)[C@@H](N)C(C)C PI-31250 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.5 CCOC(=O)CC(=O)N PI-18885 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.5 CCOC(=O)CN(C)C PI-15686 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.24 CC(C)(C)OC(=O)CN PI-31136 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.24 NCC(=O)OC(C)(C)C PI-37610 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.24 NNC(=O)OC(C)(C)C PI-28875 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.24 ONC(=O)OC(C)(C)C PI-30529 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.34 CC(=O)CC(C)(C)SC PI-48506 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.27 CC(C)(C(C(=O)O)N)F PI-26638 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.27 CC(C)(C(C(=O)O)N)O PI-30339 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.27 CC(C)(C(C(=O)O)N)S PI-43189 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.27 CC(C)(C)C(C(=O)O)N PI-26569 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.27 CC(C)(C)[C@H](N)C(N)=O PI-42204 [0,2,0,0,0,0|1,0,0]=3 271 B8R0.27 NC(C(S)(C)C)C(=O)O PI-25641 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.27 N[C@H](C(C)(C)C)C(=O)O PI-27409 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.27 OC(=O)[C@@H](N)C(C)(C)C PI-25328 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.27 OC(=O)[C@H](C(O)(C)C)N PI-30338 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.18 CC(C)C(C(=O)O)NC PI-35774 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.37 CC(C)C(C)(N)C(N)=O PI-37241 [0,2,0,0,0,0|1,0,0]=3 277 B8R0.37 CC(C)[C@@](C)(N)C(=O)O PI-26720 [0,2,0,0,0,0|2,0,0]=4 278 B6R1.2 C1CNCC1N PI-12334 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.2 C1CNCC1N PI-15467 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.2 C1CNCC1N PI-15468 [1,0,0,1,0,0|1,0,1]=4 281 B6R1.2 C1CNCC1N PI-16581 [1,0,0,1,0,0|1,0,1]=4 282 B6R1.2 C1CNCC1N PI-16582 [1,0,0,1,0,0|1,0,1]=4 283 B6R1.2 C1COC(=O)N1 PI-10783 [1,0,0,1,0,0|2,0,0]=4 284 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.2 CC1CCNC1 PI-48326 [1,0,0,1,0,0|1,0,1]=4 286 B6R1.2 CC1CNCC1 PI-36287 [1,0,0,1,0,0|1,0,1]=4 287 B6R1.2 CN1CCCC1 PI-49852 [1,0,0,1,0,0|1,0,1]=4 288 B6R1.2 C[C@@H]1CCNC1 PI-48327 [1,0,0,1,0,0|1,0,1]=4 289 B6R1.2 NC1CCNC1 PI-42734 [1,0,0,1,0,0|1,0,1]=4 290 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.2 O=C1NCNC1 PI-35001 [1,0,0,1,0,0|0,0,0]=2 292 B6R1.5 C1C(CC1=O)N PI-48953 [1,0,0,1,0,0|2,0,0]=4 293 B6R1.5 OC1CN(C1)C PI-37502 [1,0,0,1,0,0|0,0,2]=4 294 B6R1.11 C1CC1C(=N)N PI-13557 [1,0,0,1,0,0|2,0,0]=4 295 B6R1.11 C1CC1C(=O)Cl PI-32773 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.11 C1CC1C(=O)N PI-30796 [1,0,0,1,0,0|1,0,0]=3 297 B6R1.11 CC(=O)C1CC1 PI-12875 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,0,0,1,0,1|2,0,0]=4 299 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,0,0,1,0,1|1,0,0]=3 300 B8R1.3 CN1CCC(CC1)N PI-14111 [0,0,0,1,0,1|1,0,1]=4 301 B8R1.3 CN1CCN(N)CC1 PI-14898 [0,0,0,1,0,1|2,0,0]=4 302 B8R1.77 CC1(CC1C(=O)N)C PI-11227 [0,0,0,1,0,1|1,0,0]=3 303 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.1 CN1CCC(C1)CN PI-23405 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.1 COC1=CC(=O)NC1 PI-13575 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.4 CC1CN(CCN1)C PI-40975 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.4 CN1CCCC(C1)N PI-43339 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,1,0,1,0,0|0,0,0]=2 312 B8R1.18 C1C(=O)NC(=O)N1N PI-16541 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.18 CC1=NN(C(=O)C1)C PI-11679 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.18 CC1CC(=O)N(C)N1 PI-32451 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.18 CN1CC(=O)NC1=O PI-25740 [0,1,0,1,0,0|0,0,1]=3 316 B8R1.18 O=C1CN(C(=O)N1)N PI-24006 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [0,1,0,1,0,0|2,0,0]=4 319 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,0,0,0,0,2|2,0,0]=4 320 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,0,0,0,0,2|1,0,0]=3 321 B8R0.28 CN(C\C=C\C(=O)O)C PI-32230 [0,0,0,0,0,2|1,0,0]=3