0 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,0,0,0,0,0|2,1,0]=3 4 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(C)CB(O)O PI-37377 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,0,0,0,0,0|0,0,3]=3 7 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,0,0,0,0,0|1,2,1]=4 8 B6R0.2 CC(CC(=O)O)N PI-35438 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.2 CC(CC(=O)O)N PI-35481 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.2 CC(CC(=O)O)N PI-43821 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.2 CC(CC(=O)O)O PI-47070 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.2 CN(C)CC(=O)O PI-15416 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.2 CN(C)CC(=S)N PI-12763 [0,0,0,0,0,0|2,1,1]=4 16 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,0,0,0,0,0|1,0,2]=3 17 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 BrCC=C(C)C PI-12725 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CC#CC(=O)O PI-12861 [1,0,0,0,0,0|0,0,2]=3 22 B5R0.1 CC(=O)NCO PI-29791 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CC=CC(=O)C PI-45740 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 CCOC(=O)C PI-13192 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CCSC(=O)C PI-48509 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 CSCC(=O)N PI-36555 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C\C=C\C(=O)N PI-50568 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,0,0,0,0|0,0,0]=1 32 B5R0.1 NCCC(=O)O PI-14317 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 O=C(O)CCS PI-40342 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 O=C=NC(C)C PI-11403 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 OC(CON)=O PI-37190 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,1,0,0,0,0|0,0,0]=1 39 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.2 CN(C)CC(=O)NN PI-50370 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.2 COC(=O)CC(C)N PI-42155 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.2 O\N=C(/N)\CN(C)C PI-36388 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,1,0,0,0,0|2,1,0]=4 59 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,1,0,0,0,0|2,1,0]=4 61 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,1,0,0,0,0|0,0,2]=3 62 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,1,0,0,0,0|0,0,3]=4 64 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.9 O=C(O)C[Si](C)(C)C PI-35314 [0,1,0,0,0,0|0,1,1]=3 66 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,1,0,0,0,0|0,0,2]=3 67 B7R0.9 [O-]C(=O)C[N+](C)(C)C PI-12795 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.16 C(=O)(C(=O)[O-])C(=O)[O-] PI-18865 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,1,0,0,0,0|0,0,2]=3 76 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,1,0,0,0,0|0,0,2]=3 77 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,1,0,0,0,0|0,0,2]=3 78 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,1,0,0,0,0|0,0,2]=3 79 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,1,0,0,0,0|0,0,2]=3 80 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,1,0,0,0,0|0,0,2]=3 84 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,1,0,0,0,0|0,0,2]=3 85 B7R1.2 C1=C(NNC1=O)N PI-30770 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.2 C1C(=O)COC1=O PI-17979 [0,0,0,1,0,0|1,0,1]=3 87 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,0,0,1,0,0|2,1,0]=4 88 B7R1.2 C1C(COC1=O)O PI-28663 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.2 CC1=CC(=CS1)Br PI-22178 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.2 CC1COC(=O)N1 PI-35869 [0,0,0,1,0,0|1,0,1]=3 94 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,0,0,1,0,0|1,0,1]=3 96 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,0,0,1,0,0|1,0,1]=3 97 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,0,0,1,0,0|1,0,1]=3 98 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.2 Cc1noc(c1)N PI-30153 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.2 Cc1nsc(N)c1 PI-25640 [0,0,0,1,0,0|2,1,0]=4 103 B7R1.2 Cc1scc(c1)C PI-29816 [0,0,0,1,0,0|1,1,1]=4 104 B7R1.2 Nc1noc(c1)C PI-33190 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.2 O=C1OC=C(Br)O1 PI-38607 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 O=C1OC=C(Cl)O1 PI-38606 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,0,0,1,0,0|1,0,2]=4 111 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,0,0,1,0,0|0,0,2]=3 113 B5R0.5 C(C(=O)O)(F)F PI-21386 [0,0,0,0,1,0|2,0,1]=4 114 B5R0.5 C(C(=O)O)(N)O PI-48421 [0,0,0,0,1,0|2,0,1]=4 115 B5R0.5 CC(=C)C(=O)C PI-41913 [0,0,0,0,1,0|1,0,1]=3 116 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,0,0,0,1,0|1,0,1]=3 117 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,0,0,0,1,0|1,0,1]=3 118 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,0,0,0,1,0|1,0,1]=3 119 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,0,0,0,1,0|1,0,1]=3 120 B5R0.5 CC(C(=O)C)Br PI-35002 [0,0,0,0,1,0|2,0,1]=4 121 B5R0.5 CC(C(=O)C)S PI-48502 [0,0,0,0,1,0|2,0,1]=4 122 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,0,0,0,1,0|2,0,1]=4 123 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,0,0,0,1,0|2,0,1]=4 124 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,0,0,0,1,0|2,0,1]=4 125 B5R0.5 CC(C(=O)N)C PI-28643 [0,0,0,0,1,0|1,0,1]=3 126 B5R0.5 CC(C(=O)N)N PI-16292 [0,0,0,0,1,0|2,0,1]=4 127 B5R0.5 CC(C(=O)N)N PI-42205 [0,0,0,0,1,0|2,0,1]=4 128 B5R0.5 CC(C(=O)O)Br PI-47030 [0,0,0,0,1,0|1,0,1]=3 129 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,0,0,0,1,0|1,0,1]=3 130 B5R0.5 CC(C(=O)O)F PI-40363 [0,0,0,0,1,0|1,0,1]=3 131 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,0,0,0,1,0|1,0,2]=4 132 B5R0.5 CN(C)C(=O)N PI-50675 [0,0,0,0,1,0|2,0,0]=3 133 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,0,0,0,1,0|1,0,1]=3 134 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,0,0,0,1,0|1,0,1]=3 135 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [0,0,0,0,1,0|3,0,0]=4 136 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,0,0,0,1,0|1,0,1]=3 137 B5R0.5 OC(=O)C(=O)C PI-15477 [0,0,0,0,1,0|1,0,0]=2 138 B7R0.6 C(#CC(=O)[O-])C(=O)O PI-32778 [0,0,0,0,0,1|2,0,1]=4 139 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,0,0,0,0,1|1,0,2]=4 140 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [0,0,0,0,0,1|1,0,0]=2 141 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,0,0,0,0,1|2,0,1]=4 142 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,0,0,0,0,1|2,0,1]=4 143 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,0,0,0,0,1|1,0,1]=3 144 B7R0.6 CC(=O)NNC(=O)C PI-30465 [0,0,0,0,0,1|3,0,0]=4 145 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,0,0,0,0,1|2,0,1]=4 146 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,0,0,0,0,1|1,0,1]=3 147 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,0,0,0,0,1|0,0,2]=3 148 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|1,0,1]=3 150 B4R0.1 CC(=CBr)C PI-46509 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 CC(O)=NO PI-10772 [2,0,0,0,0,0|2,0,0]=4 152 B4R0.2 C(=O)[N-]C=O PI-42986 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.2 CC=CCO PI-41583 [2,0,0,0,0,0|0,0,1]=3 154 B6R0.1 CC#CC(=O)OC PI-48956 [1,1,0,0,0,0|0,0,2]=4 155 B6R0.1 CC(CC=O)SC PI-48524 [1,1,0,0,0,0|0,0,2]=4 156 B6R0.1 CNCC(=O)OC PI-45586 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.3 CC(C(=O)O)NC PI-27549 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.3 CC(C(=O)O)NC PI-27557 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.3 CC=C(C)C(=O)O PI-40492 [1,1,0,0,0,0|0,0,0]=2 160 B6R0.3 CCC(C(=O)O)N PI-28320 [1,1,0,0,0,0|0,0,2]=4 161 B6R0.3 CCC(C(=O)O)N PI-43844 [1,1,0,0,0,0|0,0,2]=4 162 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,1,0,0,0,0|0,0,2]=4 163 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,1,0,0,0,0|0,0,2]=4 164 B6R0.3 CNC(=O)C(=O)O PI-19400 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [1,1,0,0,0,0|0,0,2]=4 167 B6R0.4 BrC\C=C\C(=O)O PI-36796 [1,1,0,0,0,0|0,0,0]=2 168 B6R0.4 C(C(=O)O)NC=O PI-33231 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.4 CC=CCC(=O)O PI-47130 [1,1,0,0,0,0|0,0,0]=2 170 B6R0.4 CC=NNC(=O)N PI-26775 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.4 CCNCC(=O)O PI-43211 [1,1,0,0,0,0|0,0,2]=4 172 B6R0.4 CSCCC(=O)O PI-31992 [1,1,0,0,0,0|0,0,2]=4 173 B6R0.4 NCCCC(=O)O PI-35917 [1,1,0,0,0,0|0,0,2]=4 174 B6R0.4 O=C(O)CCCBr PI-40017 [1,1,0,0,0,0|0,0,2]=4 175 B6R0.4 O=C(O)CCCCl PI-41227 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.4 O=C\C=C/N(C)C PI-12739 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.5 Br\C=C\[Si](C)(C)C PI-36765 [1,1,0,0,0,0|1,1,0]=4 178 B6R0.5 C[Si](C)(C)C=CI PI-44154 [1,1,0,0,0,0|1,1,0]=4 179 B6R0.5 O=CCC(C)(C)C PI-36862 [1,1,0,0,0,0|0,0,2]=4 180 B6R0.7 CC(C)(C(=O)Cl)Br PI-44610 [0,1,0,0,1,0|1,0,1]=4 181 B6R0.7 CC(C)(C(=O)N)N PI-42207 [0,1,0,0,1,0|1,0,1]=4 182 B6R0.7 CC(C)(C(=O)N)O PI-15708 [0,1,0,0,1,0|1,0,1]=4 183 B6R0.7 CC(C)(C)C(=O)Cl PI-44939 [0,1,0,0,1,0|1,0,1]=4 184 B6R0.7 CC(C)(C)C(=O)N PI-19885 [0,1,0,0,1,0|1,0,1]=4 185 B6R0.7 CC(C)(N)C(O)=O PI-37329 [0,1,0,0,1,0|0,0,1]=3 186 B6R0.7 OC(=O)C(C)(C)O PI-11239 [0,1,0,0,1,0|0,0,1]=3 187 B6R0.7 OC(=O)C(F)(F)C PI-39351 [0,1,0,0,1,0|1,0,1]=4 188 B6R0.7 [O-]C(=O)C(C)(C)C PI-38667 [0,1,0,0,1,0|0,0,2]=4 189 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,1,0,0,0,1|0,0,2]=4 190 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [0,1,0,0,0,1|1,0,1]=4 191 B8R0.9 NCC(=O)NCC(=O)O PI-10062 [0,1,0,0,0,1|1,0,1]=4 192 B8R0.23 CC(=O)CC(=O)N(C)C PI-40778 [0,1,0,0,0,1|2,0,0]=4 193 B8R0.23 CC(=O)NC(=C)C(=O)O PI-26724 [0,1,0,0,0,1|1,0,0]=3 194 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,1,0,0,0,1|0,0,1]=3 195 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,1,0,0,0,1|0,0,2]=4 196 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,1,0,0,0,1|0,0,2]=4 197 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,1,0,0,0,1|0,0,2]=4 198 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,1,0,0,0,1|0,0,2]=4 199 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,1,0,0,0,1|0,0,2]=4 200 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,1,0,0,0,1|0,0,2]=4 201 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [0,1,0,0,0,1|0,0,2]=4 202 B8R0.23 CC(NC(C)=O)C(O)=O PI-26061 [0,1,0,0,0,1|1,0,1]=4 203 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,1,0,0,0,1|1,0,1]=4 204 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,1,0,0,0,1|0,0,2]=4 205 B8R0.23 O=C(O)C(CC(O)=O)=S PI-41173 [0,1,0,0,0,1|2,0,0]=4 206 B8R0.23 OC(=O)CC(=O)C(=O)O PI-25448 [0,1,0,0,0,1|2,0,0]=4 207 B8R0.29 O=C(O)CNC(C)(C)C PI-40873 [0,1,0,0,0,1|0,0,2]=4 208 B8R0.29 OC(=O)C#C[Si](C)(C)C PI-35310 [0,1,0,0,0,1|0,1,1]=4 209 B8R0.29 OC(=O)COC(C)(C)C PI-22653 [0,1,0,0,0,1|0,0,2]=4 210 B8R0.2 CC(C(C(=O)O)N)OC PI-14941 [0,2,0,0,0,0|0,0,2]=4 211 B8R0.2 CC(C(C(OC)=O)N)C PI-42147 [0,2,0,0,0,0|0,0,2]=4 212 B8R0.2 CC(C)C(C(=O)OC)N PI-50332 [0,2,0,0,0,0|0,0,2]=4 213 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,2,0,0,0,0|0,0,2]=4 214 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,2,0,0,0,0|0,0,2]=4 215 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,2,0,0,0,0|0,0,1]=3 216 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,2,0,0,0,0|0,0,2]=4 217 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,2,0,0,0,0|0,0,2]=4 218 B8R0.2 COC(=O)C(=O)C(Br)C PI-39184 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.2 COC(=O)[C@@H](N)C(C)C PI-31250 [0,2,0,0,0,0|0,0,2]=4 220 B8R0.5 CCOC(=O)C=C(C)N PI-42740 [0,2,0,0,0,0|1,0,0]=3 221 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.5 CCOC(=O)CN(C)C PI-15686 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.5 CCOC(=O)\C=C(\C)/N PI-11270 [0,2,0,0,0,0|1,0,0]=3 224 B8R0.5 ClCOC(=O)OC(C)C PI-24348 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.16 CNC(=C[N+](=O)[O-])OC PI-12641 [0,2,0,0,0,0|1,0,1]=4 226 B8R0.16 CNC(=C[N+](=O)[O-])SC PI-45886 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.16 CS/C(SC)=C\[N+]([O-])=O PI-12782 [0,2,0,0,0,0|1,0,1]=4 228 B8R0.19 CC(=CC(=O)OC)NC PI-30121 [0,2,0,0,0,0|0,0,0]=2 229 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.19 COC(=O)CC(=O)CCl PI-18464 [0,2,0,0,0,0|1,0,1]=4 231 B8R0.24 ONC(=O)OC(C)(C)C PI-30529 [0,2,0,0,0,0|1,0,1]=4 232 B8R0.27 CC(C)(C(C(=O)O)N)F PI-26638 [0,2,0,0,0,0|0,0,2]=4 233 B8R0.27 CC(C)(C(C(=O)O)N)O PI-30339 [0,2,0,0,0,0|0,0,2]=4 234 B8R0.27 CC(C)(C(C(=O)O)N)S PI-43189 [0,2,0,0,0,0|0,0,2]=4 235 B8R0.27 CC(C)(C)C(C(=O)O)N PI-26569 [0,2,0,0,0,0|0,0,2]=4 236 B8R0.27 NC(C(S)(C)C)C(=O)O PI-25641 [0,2,0,0,0,0|0,0,2]=4 237 B8R0.27 N[C@H](C(C)(C)C)C(=O)O PI-27409 [0,2,0,0,0,0|0,0,2]=4 238 B8R0.27 OC(=O)[C@@H](N)C(C)(C)C PI-25328 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.27 OC(=O)[C@H](C(O)(C)C)N PI-30338 [0,2,0,0,0,0|0,0,2]=4 240 B8R0.18 CC(C)C(C(=O)O)NC PI-35774 [0,2,0,0,0,0|0,0,2]=4 241 B8R0.37 CC(C)[C@@](C)(N)C(=O)O PI-26720 [0,2,0,0,0,0|0,0,2]=4 242 B6R1.2 Brc1ccco1 PI-14449 [1,0,0,1,0,0|1,0,1]=4 243 B6R1.2 C1=C(ON=C1)N PI-34865 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.2 C1COC(=O)N1 PI-10783 [1,0,0,1,0,0|1,0,1]=4 245 B6R1.2 C1OC(=O)C=C1 PI-37270 [1,0,0,1,0,0|0,0,0]=2 246 B6R1.2 CC1=CC=CS1 PI-11146 [1,0,0,1,0,0|2,0,0]=4 247 B6R1.2 CC1=COC=C1 PI-41011 [1,0,0,1,0,0|0,0,1]=3 248 B6R1.2 Cc1cc[nH]n1 PI-31344 [1,0,0,1,0,0|2,0,0]=4 249 B6R1.2 NC1=NOC=C1 PI-13009 [1,0,0,1,0,0|2,0,0]=4 250 B6R1.2 O=c1occo1 PI-15331 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [0,0,0,1,0,1|1,0,1]=4 252 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [0,0,0,1,0,1|1,0,1]=4 253 B8R1.3 CC1=NC=C(C=N1)O PI-42081 [0,0,0,1,0,1|2,0,0]=4 254 B8R1.3 CC1=NNC(=O)C=C1 PI-44765 [0,0,0,1,0,1|2,0,0]=4 255 B8R1.3 Oc1ccc(cn1)C PI-37410 [0,0,0,1,0,1|1,0,1]=4 256 B8R1.23 O=C1CC(C1)C(=O)O PI-38282 [0,0,0,1,0,1|1,0,1]=4 257 B8R1.1 Brc1cc(oc1)C=O PI-21495 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.1 CC1=CC(=NO1)CCl PI-20163 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [0,1,0,1,0,0|0,1,1]=4 260 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.1 COC1=CC(=O)NC1 PI-13575 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.1 COC1=CC(=O)OC1 PI-27853 [0,1,0,1,0,0|0,0,0]=2 263 B8R1.1 Cc1cc(no1)CO PI-20812 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.4 CC1=CC(=O)NC=N1 PI-32627 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.4 CC1=CC(=O)NN=C1 PI-34651 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.4 O=C1C=C(Br)NCN1 PI-46712 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.4 O=C1COCC(=O)O1 PI-29602 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.18 CC1=C(OC(=O)O1)C PI-11457 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.18 CC1=CC(=C(O1)C)S PI-48469 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.18 CC1=CC(=C(S1)C)C PI-29262 [0,1,0,1,0,0|1,1,0]=4 273 B8R1.18 CC1=CC(=O)N(N1)C PI-33909 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.18 CC1=CC(=O)OC1O PI-11645 [0,1,0,1,0,0|0,0,0]=2 275 B8R1.18 CC1C(=O)C=C(O1)C PI-27174 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.18 Cc1cc(n(n1)C)C PI-37586 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.50 C1C(=O)C(C(=O)O1)Cl PI-27633 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.50 CC1=C(C(=NO1)C)Br PI-14418 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.50 CC1=C(C(=NO1)C)I PI-29046 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.50 CC1=C(C(=O)CO1)O PI-14302 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.50 CC1=C(COC1=O)O PI-45422 [0,1,0,1,0,0|1,0,0]=3 284 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [0,1,0,1,0,0|0,0,2]=4 286 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [0,0,0,0,0,2|1,0,0]=3 287 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [0,0,0,0,0,2|1,0,1]=4 288 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,0,0,0,0,2|1,0,1]=4 289 B8R0.28 CN(C\C=C\C(=O)O)C PI-32230 [0,0,0,0,0,2|1,0,0]=3