0 B4R0.1 C#CC(=O)O SC-46968 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 C#CC(C)O SC-26644 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C=C(Br)CBr SC-46621 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C=C(C)C=O SC-83411 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C=C(C)CBr SC-50158 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C=C(C)CF SC-89300 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C=C(C)CN SC-43404 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 C=C(C)CN SC-84159 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 C=CC(=O)[O-] SC-19971 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 C=CC(C)O SC-43661 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 CC(=O)C#N SC-51001 [0,0,0,0,0,0|1,0,2]=3 11 B4R0.1 CC(=O)C=O SC-74380 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(=O)CBr SC-20936 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 CC(=O)CN SC-28532 [0,0,0,0,0,0|1,0,0]=1 14 B4R0.1 CC(=O)CN SC-89750 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 CC(=O)NO SC-18498 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 CC(Br)CO SC-A3571 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 CC(C)=CBr SC-52196 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CC(C)=NN SC-92874 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 CC(C)=NO SC-25907 [0,0,0,0,0,0|4,0,0]=4 20 B4R0.1 CC(C)NN SC-21077 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 CC(C)NN SC-73657 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 CC(C)ON SC-87607 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 CC(N)CO SC-18397 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 CC(S)CS SC-A2768 [0,0,0,0,0,0|2,1,1]=4 25 B4R0.1 CCB(O)O SC-04516 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 CCC(=N)N SC-53846 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 CCC(=O)O SC-22887 [0,0,0,0,0,0|1,0,0]=1 28 B4R0.1 CCC(=O)[O-] SC-47286 [0,0,0,0,0,0|1,0,1]=2 29 B4R0.1 CCC(C)O SC-01234 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.1 CCC(N)=O SC-18213 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 CCS(=O)[O-] SC-20356 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.1 CC[C@H](C)N SC-81828 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 CC[C@H](C)O SC-04418 [0,0,0,0,0,0|2,0,1]=3 34 B4R0.1 CNC(=N)N SC-18775 [0,0,0,0,0,0|4,0,0]=4 35 B4R0.1 CNC(=N)N SC-78334 [0,0,0,0,0,0|4,0,0]=4 36 B4R0.1 CNC(N)=O SC-15862 [0,0,0,0,0,0|3,0,0]=3 37 B4R0.1 CSC(=N)N SC-97881 [0,0,0,0,0,0|4,0,0]=4 38 B4R0.1 C[C@@H](N)CN SC-08946 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.1 C[C@@H](N)CO SC-03772 [0,0,0,0,0,0|3,0,1]=4 40 B4R0.1 C[C@@H](O)CN SC-03087 [0,0,0,0,0,0|1,0,1]=2 41 B4R0.1 C[C@@H](O)CO SC-04433 [0,0,0,0,0,0|2,0,1]=3 42 B4R0.1 C[C@H](Cl)CO SC-98590 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.1 C[C@H](N)CN SC-08947 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.1 C[C@H](N)CO SC-03066 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.1 C[C@H](O)CCl SC-99597 [0,0,0,0,0,0|2,0,1]=3 46 B4R0.1 C[C@H](O)CN SC-03088 [0,0,0,0,0,0|1,0,1]=2 47 B4R0.1 C[C@H](O)CO SC-04434 [0,0,0,0,0,0|2,0,1]=3 48 B4R0.1 C\C(N)=N\O SC-29589 [0,0,0,0,0,0|4,0,0]=4 49 B4R0.1 C\C=C(\C)Br SC-91379 [0,0,0,0,0,0|3,0,1]=4 50 B4R0.1 FC(F)CBr SC-21856 [0,0,0,0,0,0|3,0,1]=4 51 B4R0.1 FC(F)CI SC-82530 [0,0,0,0,0,0|3,0,1]=4 52 B4R0.1 N=C(N)CCl SC-69732 [0,0,0,0,0,0|3,0,0]=3 53 B4R0.1 N=C(N)CO SC-41719 [0,0,0,0,0,0|3,0,0]=3 54 B4R0.1 N=C(N)CO SC-50460 [0,0,0,0,0,0|3,0,0]=3 55 B4R0.1 N=C(N)NN SC-15685 [0,0,0,0,0,0|3,0,0]=3 56 B4R0.1 N=C(N)NN SC-16383 [0,0,0,0,0,0|3,0,0]=3 57 B4R0.1 N=C(N)NN SC-A2698 [0,0,0,0,0,0|3,0,0]=3 58 B4R0.1 NC(=O)CBr SC-17752 [0,0,0,0,0,0|2,0,0]=2 59 B4R0.1 NC(=O)CI SC-18913 [0,0,0,0,0,0|2,0,0]=2 60 B4R0.1 NC(=O)NO SC-17803 [0,0,0,0,0,0|3,0,0]=3 61 B4R0.1 NCC(=O)O SC-26884 [0,0,0,0,0,0|0,0,0]=0 62 B4R0.1 NCC(F)F SC-43926 [0,0,0,0,0,0|2,0,1]=3 63 B4R0.1 NCC(N)=O SC-09567 [0,0,0,0,0,0|1,0,0]=1 64 B4R0.1 NCC(N)=O SC-18427 [0,0,0,0,0,0|1,0,0]=1 65 B4R0.1 NNC(N)=O SC-18463 [0,0,0,0,0,0|2,0,0]=2 66 B4R0.1 NNC(N)=O SC-47308 [0,0,0,0,0,0|2,0,0]=2 67 B4R0.1 O=C(Br)CBr SC-18428 [0,0,0,0,0,0|2,0,0]=2 68 B4R0.1 O=C(Cl)CBr SC-49267 [0,0,0,0,0,0|2,0,0]=2 69 B4R0.1 O=C(O)CBr SC-18211 [0,0,0,0,0,0|1,0,0]=1 70 B4R0.1 O=C(O)CO SC-23119 [0,0,0,0,0,0|1,0,0]=1 71 B4R0.1 O=C(O)CO SC-26092 [0,0,0,0,0,0|1,0,0]=1 72 B4R0.1 O=C([O-])CI SC-80290 [0,0,0,0,0,0|1,0,1]=2 73 B4R0.1 O=CC(=O)O SC-25819 [0,0,0,0,0,0|1,0,1]=2 74 B4R0.1 OCC(F)F SC-16815 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 ON=C(Br)Br SC-48802 [0,0,0,0,0,0|4,0,0]=4 76 B4R0.1 [C@@H](C)(O)C#C SC-47963 [0,0,0,0,0,0|2,0,2]=4 77 B4R0.1 [C@H](C)(O)C#C SC-47962 [0,0,0,0,0,0|2,0,2]=4 78 B3R0.1 Br\C=C\Br SC-73800 [1,0,0,0,0,0|2,0,1]=4 79 B3R0.1 C=CCN SC-13610 [1,0,0,0,0,0|1,0,0]=2 80 B3R0.1 C=C[CH-]C SC-90438 [1,0,0,0,0,0|2,0,1]=4 81 B3R0.1 CCC[Zn+] SC-92929 [1,0,0,0,0,0|2,0,1]=4 82 B3R0.1 CCNN SC-47438 [1,0,0,0,0,0|2,0,1]=4 83 B3R0.1 CCNN SC-88458 [1,0,0,0,0,0|2,0,1]=4 84 B3R0.1 CCNO SC-82856 [1,0,0,0,0,0|2,0,0]=3 85 B3R0.1 CCO[NH3+] SC-76549 [1,0,0,0,0,0|3,0,0]=4 86 B3R0.1 COCBr SC-13660 [1,0,0,0,0,0|3,0,0]=4 87 B3R0.1 C\C=C\Br SC-50117 [1,0,0,0,0,0|2,0,1]=4 88 B3R0.1 C\C=N\O SC-16388 [1,0,0,0,0,0|2,0,1]=4 89 B3R0.1 ClCCBr SC-16459 [1,0,0,0,0,0|2,0,1]=4 90 B3R0.1 ClCCI SC-93145 [1,0,0,0,0,0|2,0,1]=4 91 B3R0.1 FCCBr SC-16577 [1,0,0,0,0,0|2,0,1]=4 92 B3R0.1 N#CCN SC-16069 [1,0,0,0,0,0|1,0,1]=3 93 B3R0.1 N#CCN SC-46133 [1,0,0,0,0,0|1,0,1]=3 94 B3R0.1 NCCBr SC-11569 [1,0,0,0,0,0|1,0,1]=3 95 B3R0.1 NCCCl SC-15450 [1,0,0,0,0,0|1,0,1]=3 96 B3R0.1 NCCCl SC-40145 [1,0,0,0,0,0|1,0,1]=3 97 B3R0.1 NCCF SC-66629 [1,0,0,0,0,0|1,0,1]=3 98 B3R0.1 NCCF SC-89351 [1,0,0,0,0,0|1,0,1]=3 99 B3R0.1 NNC=O SC-22540 [1,0,0,0,0,0|1,0,0]=2 100 B3R0.1 OCCBr SC-26949 [1,0,0,0,0,0|1,0,1]=3 101 B3R0.1 OCCF SC-22570 [1,0,0,0,0,0|1,0,1]=3 102 B3R0.1 OCCI SC-46883 [1,0,0,0,0,0|1,0,1]=3 103 B3R0.1 OCCO SC-A3578 [1,0,0,0,0,0|1,0,1]=3 104 B3R0.1 SCCS SC-27058 [1,0,0,0,0,0|1,1,1]=4 105 B3R0.2 C=C(C)[Mg+] SC-70280 [1,0,0,0,0,0|2,0,0]=3 106 B3R0.2 CB(O)O SC-00749 [1,0,0,0,0,0|1,0,1]=3 107 B3R0.2 CC(=N)N SC-19002 [1,0,0,0,0,0|2,0,0]=3 108 B3R0.2 CC(=O)O SC-16774 [1,0,0,0,0,0|0,0,0]=1 109 B3R0.2 CC(=O)O SC-27909 [1,0,0,0,0,0|0,0,0]=1 110 B3R0.2 CC(=O)[O-] SC-03583 [1,0,0,0,0,0|0,0,1]=2 111 B3R0.2 CC(=O)[O-] SC-12688 [1,0,0,0,0,0|0,0,1]=2 112 B3R0.2 CC(=O)[O-] SC-18918 [1,0,0,0,0,0|0,0,1]=2 113 B3R0.2 CC(=O)[O-] SC-18995 [1,0,0,0,0,0|0,0,1]=2 114 B3R0.2 CC(=O)[O-] SC-26584 [1,0,0,0,0,0|0,0,1]=2 115 B3R0.2 CC(=O)[O-] SC-46842 [1,0,0,0,0,0|0,0,1]=2 116 B3R0.2 CC(=O)[O-] SC-81401 [1,0,0,0,0,0|0,0,1]=2 117 B3R0.2 CC(=O)[O-] SC-88396 [1,0,0,0,0,0|0,0,1]=2 118 B3R0.2 CC(=O)[O-] SC-93306 [1,0,0,0,0,0|0,0,1]=2 119 B3R0.2 CC(C)[O-] SC-43831 [1,0,0,0,0,0|1,0,2]=4 120 B3R0.2 CC(C)[O-] SC-94197 [1,0,0,0,0,0|1,0,2]=4 121 B3R0.2 CC(N)=O SC-18410 [1,0,0,0,0,0|1,0,0]=2 122 B3R0.2 CC(N)=S SC-17261 [1,0,0,0,0,0|1,1,0]=3 123 B3R0.2 CC([O-])=S SC-15916 [1,0,0,0,0,0|0,1,1]=3 124 B3R0.2 CN(C)C SC-46902 [1,0,0,0,0,0|3,0,0]=4 125 B3R0.2 CS(=O)[O-] SC-19511 [1,0,0,0,0,0|1,0,1]=3 126 B3R0.2 C[PH](C)=O SC-72909 [1,0,0,0,0,0|2,0,0]=3 127 B3R0.2 C[S+](C)C SC-68838 [1,0,0,0,0,0|3,0,0]=4 128 B3R0.2 C[S+](C)C SC-97925 [1,0,0,0,0,0|3,0,0]=4 129 B3R0.2 N=C(N)Cl SC-77353 [1,0,0,0,0,0|2,0,0]=3 130 B3R0.2 N=C(N)N SC-18582 [1,0,0,0,0,0|2,0,0]=3 131 B3R0.2 NC(=S)S SC-18554 [1,0,0,0,0,0|0,2,0]=3 132 B3R0.2 NC(N)=O SC-75453 [1,0,0,0,0,0|1,0,0]=2 133 B3R0.2 NC(N)=O SC-81784 [1,0,0,0,0,0|1,0,0]=2 134 B3R0.2 O=C(O)O SC-18529 [1,0,0,0,0,0|1,0,0]=2 135 B3R0.2 O=C([O-])O SC-80213 [1,0,0,0,0,0|1,0,0]=2 136 B3R0.2 O=C([O-])[O-] SC-97647 [1,0,0,0,0,0|1,0,1]=3 137 B3R0.2 O=P(=O)[O-] SC-79336 [1,0,0,0,0,0|2,0,1]=4 138 B3R0.2 O=S(Br)Br SC-85525 [1,0,0,0,0,0|3,0,0]=4 139 B3R0.2 O=[N+]([O-])[O-] SC-18940 [1,0,0,0,0,0|2,0,1]=4 140 B3R0.2 O=[N+]([O-])[O-] SC-47221 [1,0,0,0,0,0|2,0,1]=4 141 B3R0.2 O=[N+]([O-])[O-] SC-65376 [1,0,0,0,0,0|2,0,1]=4 142 B3R0.2 O=[N+]([O-])[O-] SC-69859 [1,0,0,0,0,0|2,0,1]=4 143 B3R0.2 O=[N+]([O-])[O-] SC-84846 [1,0,0,0,0,0|2,0,1]=4 144 B3R0.2 O=[Ti]([O-])F SC-79800 [1,0,0,0,0,0|2,0,1]=4 145 B3R0.2 O=[V](=O)[O-] SC-53201 [1,0,0,0,0,0|2,0,1]=4 146 B3R0.2 S=C(Cl)Cl SC-26745 [1,0,0,0,0,0|2,1,0]=4 147 B5R0.1 C#CCC(=O)O SC-40344 [0,1,0,0,0,0|1,0,0]=2 148 B5R0.1 C=C(C)CCBr SC-26305 [0,1,0,0,0,0|3,0,0]=4 149 B5R0.1 C=C(C)OCC SC-18086 [0,1,0,0,0,0|3,0,0]=4 150 B5R0.1 C=CCC(=O)O SC-49093 [0,1,0,0,0,0|1,0,0]=2 151 B5R0.1 C=COC(C)=O SC-79059 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.1 CC#CC(=O)O SC-76460 [0,1,0,0,0,0|1,0,1]=3 153 B5R0.1 CC(=O)CC#N SC-26510 [0,1,0,0,0,0|1,0,1]=3 154 B5R0.1 CC(=O)CCCl SC-21586 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.1 CC(=O)CCO SC-65678 [0,1,0,0,0,0|2,0,0]=3 156 B5R0.1 CC(=O)OCBr SC-44237 [0,1,0,0,0,0|2,0,0]=3 157 B5R0.1 CC(=O)\C=N/O SC-89466 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.1 CC(=O)\C=N\O SC-68143 [0,1,0,0,0,0|1,0,2]=4 159 B5R0.1 CC(C)=CCBr SC-13678 [0,1,0,0,0,0|3,0,0]=4 160 B5R0.1 CC(C)=CCN SC-51952 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.1 CC(C)=CCO SC-77150 [0,1,0,0,0,0|3,0,0]=4 162 B5R0.1 CCCB(O)O SC-47544 [0,1,0,0,0,0|2,0,1]=4 163 B5R0.1 CCCC(=N)N SC-19347 [0,1,0,0,0,0|3,0,0]=4 164 B5R0.1 CCCC(=O)Cl SC-18924 [0,1,0,0,0,0|2,0,0]=3 165 B5R0.1 CCCC(=O)[O-] SC-15718 [0,1,0,0,0,0|1,0,1]=3 166 B5R0.1 CCCC(C)O SC-03320 [0,1,0,0,0,0|2,0,1]=4 167 B5R0.1 CCCC(N)=O SC-46377 [0,1,0,0,0,0|2,0,0]=3 168 B5R0.1 CCN=C(N)N SC-15057 [0,1,0,0,0,0|3,0,0]=4 169 B5R0.1 CCOC(=S)[S-] SC-62877 [0,1,0,0,0,0|1,2,0]=4 170 B5R0.1 CCOC(C)=N SC-02547 [0,1,0,0,0,0|3,0,0]=4 171 B5R0.1 CCOC(C)=N SC-A3540 [0,1,0,0,0,0|3,0,0]=4 172 B5R0.1 CCOC(N)=O SC-16133 [0,1,0,0,0,0|2,0,0]=3 173 B5R0.1 CCSC(=N)N SC-20585 [0,1,0,0,0,0|3,0,0]=4 174 B5R0.1 CCSC(=N)N SC-53442 [0,1,0,0,0,0|3,0,0]=4 175 B5R0.1 CNCC(=O)O SC-10425 [0,1,0,0,0,0|0,0,0]=1 176 B5R0.1 CNCC(F)F SC-34374 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.1 CNCC(N)=O SC-10429 [0,1,0,0,0,0|1,0,0]=2 178 B5R0.1 CNNC(N)=S SC-74513 [0,1,0,0,0,0|2,1,0]=4 179 B5R0.1 COCC(=N)N SC-41213 [0,1,0,0,0,0|3,0,0]=4 180 B5R0.1 COCC(=N)N SC-73218 [0,1,0,0,0,0|3,0,0]=4 181 B5R0.1 COCC(=O)Cl SC-27381 [0,1,0,0,0,0|2,0,0]=3 182 B5R0.1 COCC(C)O SC-00293 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.1 COC[C@@H](C)O SC-04836 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.1 CS(=O)CCN SC-89327 [0,1,0,0,0,0|2,0,0]=3 185 B5R0.1 CSCS(C)=O SC-87090 [0,1,0,0,0,0|3,0,0]=4 186 B5R0.1 CSNC(C)=O SC-28667 [0,1,0,0,0,0|3,0,0]=4 187 B5R0.1 C[C@@H](O)CCO SC-05919 [0,1,0,0,0,0|2,0,1]=4 188 B5R0.1 C[C@H](O)CCO SC-02840 [0,1,0,0,0,0|2,0,1]=4 189 B5R0.1 C\C=C/C(=O)O SC-25924 [0,1,0,0,0,0|1,0,1]=3 190 B5R0.1 C\C=C/C(C)=O SC-48085 [0,1,0,0,0,0|2,0,1]=4 191 B5R0.1 C\C=C\C(=O)Cl SC-16256 [0,1,0,0,0,0|2,0,1]=4 192 B5R0.1 N#CCC(=O)O SC-18648 [0,1,0,0,0,0|0,0,1]=2 193 B5R0.1 N#CCC(N)=O SC-26759 [0,1,0,0,0,0|1,0,1]=3 194 B5R0.1 NCCC(=O)O SC-10014 [0,1,0,0,0,0|0,0,0]=1 195 B5R0.1 NCCC(F)F SC-89198 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.1 NCCC(N)=O SC-48688 [0,1,0,0,0,0|1,0,0]=2 197 B5R0.1 NCCC(N)=O SC-84499 [0,1,0,0,0,0|1,0,0]=2 198 B5R0.1 O=C(Cl)CCCl SC-16310 [0,1,0,0,0,0|2,0,0]=3 199 B5R0.1 O=C(O)CCBr SC-18441 [0,1,0,0,0,0|1,0,0]=2 200 B5R0.1 O=C(O)CCS SC-22642 [0,1,0,0,0,0|1,0,0]=2 201 B5R0.3 C#CC(=O)OC SC-27849 [0,1,0,0,0,0|1,0,1]=3 202 B5R0.3 C#CC(O)CC SC-68723 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.3 C=C(CCl)CCl SC-21050 [0,1,0,0,0,0|3,0,0]=4 204 B5R0.3 C=C(CO)CO SC-17984 [0,1,0,0,0,0|2,0,0]=3 205 B5R0.3 C=CC(O)CC SC-93539 [0,1,0,0,0,0|2,0,1]=4 206 B5R0.3 CC(CO)CBr SC-35572 [0,1,0,0,0,0|2,0,1]=4 207 B5R0.3 CCC(=O)NN SC-25039 [0,1,0,0,0,0|2,0,0]=3 208 B5R0.3 CCC(C)CO SC-08990 [0,1,0,0,0,0|2,0,1]=4 209 B5R0.3 CCC(N)CO SC-21072 [0,1,0,0,0,0|2,0,1]=4 210 B5R0.3 CCC(O)CC SC-62307 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.3 CC[PH](=O)CC SC-96905 [0,1,0,0,0,0|3,0,0]=4 212 B5R0.3 CC\C(N)=N\O SC-28960 [0,1,0,0,0,0|2,0,0]=3 213 B5R0.3 CNC(=O)CBr SC-27946 [0,1,0,0,0,0|2,0,0]=3 214 B5R0.3 CNC(=O)CN SC-47802 [0,1,0,0,0,0|1,0,0]=2 215 B5R0.3 CNC(=O)OC SC-97890 [0,1,0,0,0,0|2,0,0]=3 216 B5R0.3 COC(=O)C#N SC-49091 [0,1,0,0,0,0|0,0,2]=3 217 B5R0.3 COC(=O)CBr SC-15855 [0,1,0,0,0,0|1,0,0]=2 218 B5R0.3 COC(=O)CN SC-09571 [0,1,0,0,0,0|0,0,0]=1 219 B5R0.3 COC(=O)CN SC-49390 [0,1,0,0,0,0|0,0,0]=1 220 B5R0.3 COC(=O)CO SC-28291 [0,1,0,0,0,0|1,0,0]=2 221 B5R0.3 COC(=O)CS SC-54102 [0,1,0,0,0,0|1,0,0]=2 222 B5R0.3 COC(C)CN SC-A4864 [0,1,0,0,0,0|1,0,1]=3 223 B5R0.3 COS(=O)OC SC-25522 [0,1,0,0,0,0|3,0,0]=4 224 B5R0.3 CO[C@H](C)CO SC-71357 [0,1,0,0,0,0|2,0,1]=4 225 B5R0.3 CS\C(N)=N\N SC-47788 [0,1,0,0,0,0|2,1,0]=4 226 B5R0.3 NC(CO)CO SC-16669 [0,1,0,0,0,0|2,0,1]=4 227 B5R0.3 NCC(O)CO SC-15511 [0,1,0,0,0,0|0,0,2]=3 228 B5R0.3 NC[C@@H](O)CO SC-06146 [0,1,0,0,0,0|0,0,2]=3 229 B5R0.3 NC[C@H](O)CCl SC-89081 [0,1,0,0,0,0|1,0,1]=3 230 B5R0.3 NNC(=O)CO SC-83204 [0,1,0,0,0,0|1,0,0]=2 231 B5R0.3 O=C(CBr)CBr SC-99341 [0,1,0,0,0,0|2,0,0]=3 232 B5R0.3 O=C(CO)CO SC-07450 [0,1,0,0,0,0|1,0,0]=2 233 B5R0.3 O=CC(O)CO SC-04830 [0,1,0,0,0,0|1,0,1]=3 234 B5R0.3 OCC(Br)CBr SC-75335 [0,1,0,0,0,0|2,0,1]=4 235 B5R0.3 OCC(O)CO SC-13789 [0,1,0,0,0,0|1,0,2]=4 236 B5R0.3 OC[C@@H](O)CCl SC-05423 [0,1,0,0,0,0|1,0,2]=4 237 B5R0.3 [C@H](N)(CC)CO SC-08958 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.3 [C@H](O)(CN)CO SC-05739 [0,1,0,0,0,0|0,0,2]=3 239 B5R0.4 CC(C)(C)CN SC-97733 [0,1,0,0,0,0|2,0,1]=4 240 B5R0.4 CC(C)(N)CN SC-47310 [0,1,0,0,0,0|2,0,1]=4 241 B5R0.4 CC(C)(O)CBr SC-69889 [0,1,0,0,0,0|2,0,1]=4 242 B5R0.4 CC(C)(O)CCl SC-05342 [0,1,0,0,0,0|2,0,1]=4 243 B5R0.4 CC(C)(O)CN SC-14245 [0,1,0,0,0,0|1,0,1]=3 244 B5R0.4 CC(C)(O)CO SC-93601 [0,1,0,0,0,0|2,0,1]=4 245 B5R0.4 CC(F)(F)CN SC-49451 [0,1,0,0,0,0|2,0,1]=4 246 B5R0.4 CC(F)(F)CN SC-70960 [0,1,0,0,0,0|2,0,1]=4 247 B5R0.4 CCS(=O)(=O)Cl SC-25371 [0,1,0,0,0,0|2,0,1]=4 248 B5R0.4 CCS(=O)(=O)O SC-46368 [0,1,0,0,0,0|2,0,0]=3 249 B5R0.4 CCS(N)(=O)=O SC-18888 [0,1,0,0,0,0|2,0,1]=4 250 B5R0.4 NCC(F)(F)F SC-44099 [0,1,0,0,0,0|2,0,1]=4 251 B5R0.4 NCP(=O)(O)O SC-86885 [0,1,0,0,0,0|1,0,0]=2 252 B5R0.4 NOS(=O)(=O)O SC-18714 [0,1,0,0,0,0|2,0,0]=3 253 B5R0.4 NS(=O)(=O)CCl SC-A2637 [0,1,0,0,0,0|2,0,1]=4 254 B5R0.4 O=S(=O)(Cl)CCl SC-54024 [0,1,0,0,0,0|2,0,1]=4 255 B5R0.4 O=S(=O)(O)O[O-] SC-26713 [0,1,0,0,0,0|3,0,0]=4 256 B5R0.5 C=C(C)C(N)=O SC-74591 [0,1,0,0,0,0|2,0,1]=4 257 B5R0.5 C=C(F)C(=O)O SC-47473 [0,1,0,0,0,0|1,0,1]=3 258 B5R0.5 CC(=O)C(=O)O SC-17382 [0,1,0,0,0,0|1,0,1]=3 259 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [0,1,0,0,0,0|1,0,2]=4 260 B5R0.5 CC(=O)C(C)C SC-18478 [0,1,0,0,0,0|2,0,0]=3 261 B5R0.5 CC(=O)C(C)Cl SC-46981 [0,1,0,0,0,0|2,0,0]=3 262 B5R0.5 CC(=O)C(C)S SC-17208 [0,1,0,0,0,0|2,0,0]=3 263 B5R0.5 CC(=O)C(F)F SC-99156 [0,1,0,0,0,0|2,0,0]=3 264 B5R0.5 CC(=O)N(C)C SC-54108 [0,1,0,0,0,0|3,0,0]=4 265 B5R0.5 CC(Br)C(N)=O SC-97497 [0,1,0,0,0,0|2,0,0]=3 266 B5R0.5 CC(C)B(O)O SC-66620 [0,1,0,0,0,0|2,0,1]=4 267 B5R0.5 CC(C)C(=N)N SC-13079 [0,1,0,0,0,0|3,0,0]=4 268 B5R0.5 CC(F)C(=O)O SC-83429 [0,1,0,0,0,0|1,0,0]=2 269 B5R0.5 CC(N)C(=O)O SC-09271 [0,1,0,0,0,0|0,0,0]=1 270 B5R0.5 CC(N)C(N)=O SC-94219 [0,1,0,0,0,0|1,0,0]=2 271 B5R0.5 CC(O)C(=O)[O-] SC-19308 [0,1,0,0,0,0|1,0,1]=3 272 B5R0.5 CC(O)C(=O)[O-] SC-25623 [0,1,0,0,0,0|1,0,1]=3 273 B5R0.5 CC(O)C(=O)[O-] SC-75139 [0,1,0,0,0,0|1,0,1]=3 274 B5R0.5 CC(O)C(C)O SC-08971 [0,1,0,0,0,0|2,0,1]=4 275 B5R0.5 CC(O)C(C)O SC-08972 [0,1,0,0,0,0|2,0,1]=4 276 B5R0.5 CC(O)C(C)O SC-81338 [0,1,0,0,0,0|2,0,1]=4 277 B5R0.5 CC(S)C(=O)O SC-74563 [0,1,0,0,0,0|1,0,0]=2 278 B5R0.5 CN(C)C(=O)Cl SC-15201 [0,1,0,0,0,0|3,0,0]=4 279 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,1,0,0,0,0|1,0,0]=2 280 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,1,0,0,0,0|1,0,0]=2 281 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [0,1,0,0,0,0|0,0,0]=1 282 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [0,1,0,0,0,0|1,0,0]=2 283 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [0,1,0,0,0,0|2,0,0]=3 284 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,1,0,0,0,0|1,0,0]=2 285 B5R0.5 C[C@H](N)C(=O)O SC-09272 [0,1,0,0,0,0|0,0,0]=1 286 B5R0.5 C[C@H](N)C(N)=O SC-03542 [0,1,0,0,0,0|1,0,0]=2 287 B5R0.5 C[C@H](O)C(N)=O SC-73228 [0,1,0,0,0,0|2,0,0]=3 288 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [0,1,0,0,0,0|0,0,2]=3 289 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [0,1,0,0,0,0|1,0,0]=2 290 B5R0.5 O=C(O)C(F)Br SC-49620 [0,1,0,0,0,0|1,0,0]=2 291 B5R0.5 O=C(O)C(F)F SC-25529 [0,1,0,0,0,0|1,0,0]=2 292 B5R0.5 O=C([O-])C(=O)[O-] SC-18408 [0,1,0,0,0,0|1,0,2]=4 293 B5R0.5 O=C([O-])C(=O)[O-] SC-20134 [0,1,0,0,0,0|1,0,2]=4 294 B5R0.5 O=C([O-])C(=O)[O-] SC-74359 [0,1,0,0,0,0|1,0,2]=4 295 B5R0.5 O=C([O-])C(=O)[O-] SC-A2542 [0,1,0,0,0,0|1,0,2]=4 296 B5R0.5 O=C([O-])C(Cl)Cl SC-15953 [0,1,0,0,0,0|1,0,1]=3 297 B5R0.5 [2H]C(=O)N(C)C SC-97589 [0,1,0,0,0,0|3,0,0]=4 298 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [0,1,0,0,0,0|1,0,0]=2 299 B5R1.2 CC1CNC1 SC-50429 [0,0,0,1,0,0|2,0,1]=4 300 B5R1.2 FC1CNC1 SC-47665 [0,0,0,1,0,0|2,0,1]=4 301 B5R1.2 FC1CNC1 SC-51742 [0,0,0,1,0,0|2,0,1]=4 302 B5R1.2 NC1CNC1 SC-82511 [0,0,0,1,0,0|2,0,1]=4 303 B5R1.2 O=C1CCC1 SC-00523 [0,0,0,1,0,0|2,0,0]=3 304 B5R1.2 O=C1CCN1 SC-44172 [0,0,0,1,0,0|2,0,0]=3 305 B5R1.2 O=C1CNC1 SC-48283 [0,0,0,1,0,0|1,0,0]=2 306 B5R1.2 O=C1COC1 SC-21889 [0,0,0,1,0,0|2,0,0]=3 307 B5R1.2 OC1CNC1 SC-04637 [0,0,0,1,0,0|1,0,1]=3 308 B5R1.2 OC1CNC1 SC-19998 [0,0,0,1,0,0|1,0,1]=3 309 B5R1.2 OC1COC1 SC-25466 [0,0,0,1,0,0|2,0,1]=4 310 B5R1.2 OC1CSC1 SC-36448 [0,0,0,1,0,0|2,0,1]=4 311 B5R1.3 CC[C@@H]1CO1 SC-52802 [0,0,0,1,0,0|2,0,1]=4 312 B5R1.3 ClC[C@@H]1CO1 SC-06234 [0,0,0,1,0,0|2,0,1]=4 313 B5R1.3 ClC[C@H]1CO1 SC-04973 [0,0,0,1,0,0|2,0,1]=4 314 B5R1.3 FCC1CO1 SC-91371 [0,0,0,1,0,0|2,0,1]=4 315 B5R1.3 NCC1CC1 SC-16854 [0,0,0,1,0,0|2,0,1]=4 316 B5R1.3 NCC1CC1 SC-95616 [0,0,0,1,0,0|2,0,1]=4 317 B5R1.3 OCC1CO1 SC-18485 [0,0,0,1,0,0|2,0,1]=4 318 B5R1.3 OC[C@@H]1CO1 SC-05422 [0,0,0,1,0,0|2,0,1]=4 319 B5R1.3 OC[C@H]1CO1 SC-05653 [0,0,0,1,0,0|2,0,1]=4 320 B5R1.4 NC1CC1F SC-88258 [0,0,0,1,0,0|2,0,1]=4 321 B2R0.1 BrCBr SC-16380 [2,0,0,0,0,0|2,0,0]=4 322 B2R0.1 C=C[CH2-] SC-62552 [2,0,0,0,0,0|1,0,1]=4 323 B2R0.1 CC#N SC-43555 [2,0,0,0,0,0|1,0,1]=4 324 B2R0.1 CCI SC-46828 [2,0,0,0,0,0|1,0,1]=4 325 B2R0.1 CC[O-] SC-70475 [2,0,0,0,0,0|0,0,2]=4 326 B2R0.1 CC[O-] SC-94198 [2,0,0,0,0,0|0,0,2]=4 327 B2R0.1 CC[S-] SC-53819 [2,0,0,0,0,0|0,1,1]=4 328 B2R0.1 CNO SC-62256 [2,0,0,0,0,0|1,0,0]=3 329 B2R0.1 CON SC-18435 [2,0,0,0,0,0|1,0,1]=4 330 B2R0.1 ClCBr SC-06619 [2,0,0,0,0,0|2,0,0]=4 331 B2R0.1 ClCI SC-22871 [2,0,0,0,0,0|2,0,0]=4 332 B2R0.1 FCI SC-48569 [2,0,0,0,0,0|2,0,0]=4 333 B2R0.1 ICI SC-16458 [2,0,0,0,0,0|2,0,0]=4 334 B2R0.1 N#CN SC-16012 [2,0,0,0,0,0|1,0,1]=4 335 B2R0.1 N=CN SC-09552 [2,0,0,0,0,0|1,0,0]=3 336 B2R0.1 N=CN SC-21161 [2,0,0,0,0,0|1,0,0]=3 337 B2R0.1 NC=O SC-46172 [2,0,0,0,0,0|0,0,0]=2 338 B2R0.1 NC=S SC-15964 [2,0,0,0,0,0|0,1,0]=3 339 B2R0.1 O=C[O-] SC-83358 [2,0,0,0,0,0|0,0,1]=3 340 B2R0.1 O=N[O-] SC-79816 [2,0,0,0,0,0|1,0,1]=4 341 B2R0.1 O=[Ge]=O SC-19469 [2,0,0,0,0,0|0,1,1]=4 342 B2R0.1 O=[Si]=O SC-89620 [2,0,0,0,0,0|0,1,1]=4 343 B2R0.1 O=[Te]=O SC-81428 [2,0,0,0,0,0|1,0,1]=4 344 B2R0.1 [CH2-]CC SC-50030 [2,0,0,0,0,0|1,0,1]=4 345 B4R0.2 C#CCCN SC-49547 [1,1,0,0,0,0|1,0,1]=4 346 B4R0.2 C#CCCO SC-17773 [1,1,0,0,0,0|1,0,1]=4 347 B4R0.2 C#CCNC SC-87202 [1,1,0,0,0,0|1,0,1]=4 348 B4R0.2 C#CCNO SC-A2362 [1,1,0,0,0,0|1,0,1]=4 349 B4R0.2 C=CCCCl SC-90795 [1,1,0,0,0,0|2,0,0]=4 350 B4R0.2 C=CCCN SC-48242 [1,1,0,0,0,0|1,0,0]=3 351 B4R0.2 C=CCCN SC-52106 [1,1,0,0,0,0|1,0,0]=3 352 B4R0.2 C=CCCO SC-45284 [1,1,0,0,0,0|1,0,1]=4 353 B4R0.2 C=CCNC SC-05902 [1,1,0,0,0,0|1,0,0]=3 354 B4R0.2 C=CCON SC-96333 [1,1,0,0,0,0|1,0,0]=3 355 B4R0.2 C=CCSC SC-47211 [1,1,0,0,0,0|2,0,0]=4 356 B4R0.2 CCCNC SC-27548 [1,1,0,0,0,0|1,0,1]=4 357 B4R0.2 CCN=C=O SC-11793 [1,1,0,0,0,0|1,0,1]=4 358 B4R0.2 CNCC#N SC-13788 [1,1,0,0,0,0|1,0,1]=4 359 B4R0.2 CNCCBr SC-98001 [1,1,0,0,0,0|1,0,1]=4 360 B4R0.2 COCC=O SC-48883 [1,1,0,0,0,0|1,0,0]=3 361 B4R0.2 COCCCl SC-05903 [1,1,0,0,0,0|1,0,1]=4 362 B4R0.2 COCCN SC-22236 [1,1,0,0,0,0|0,0,1]=3 363 B4R0.2 CSCCN SC-28443 [1,1,0,0,0,0|0,1,1]=4 364 B4R0.2 CSCCN SC-83550 [1,1,0,0,0,0|0,1,1]=4 365 B4R0.2 CSCCO SC-19276 [1,1,0,0,0,0|1,0,1]=4 366 B4R0.2 C\C=C/CO SC-69832 [1,1,0,0,0,0|1,0,1]=4 367 B4R0.2 C\C=C\CCl SC-22573 [1,1,0,0,0,0|2,0,0]=4 368 B4R0.2 C\C=C\CO SC-25521 [1,1,0,0,0,0|1,0,1]=4 369 B4R0.2 C\C=C\CO SC-69597 [1,1,0,0,0,0|1,0,1]=4 370 B4R0.2 C\C=C\OC SC-97407 [1,1,0,0,0,0|1,0,1]=4 371 B4R0.2 Cl\C=C\CCl SC-17396 [1,1,0,0,0,0|2,0,0]=4 372 B4R0.2 NCCCBr SC-39593 [1,1,0,0,0,0|1,0,1]=4 373 B4R0.2 NCCCBr SC-48386 [1,1,0,0,0,0|1,0,1]=4 374 B4R0.2 NCCCCl SC-15218 [1,1,0,0,0,0|1,0,1]=4 375 B4R0.2 NCCCO SC-16407 [1,1,0,0,0,0|0,0,1]=3 376 B4R0.2 NCCCS SC-52748 [1,1,0,0,0,0|0,1,1]=4 377 B4R0.2 NNCCO SC-15469 [1,1,0,0,0,0|0,0,1]=3 378 B4R0.2 NOCCO SC-41192 [1,1,0,0,0,0|0,0,1]=3 379 B4R0.2 O=CCCCl SC-71322 [1,1,0,0,0,0|1,0,0]=3 380 B4R0.2 O=CCCO SC-52939 [1,1,0,0,0,0|1,0,0]=3 381 B4R0.2 O=C[N-]C=O SC-93635 [1,1,0,0,0,0|1,0,1]=4 382 B4R0.2 OCCCBr SC-13514 [1,1,0,0,0,0|1,0,1]=4 383 B4R0.2 OCCCCl SC-15525 [1,1,0,0,0,0|1,0,1]=4 384 B4R0.2 OCCCF SC-24862 [1,1,0,0,0,0|1,0,1]=4 385 B4R0.2 OCCCI SC-65803 [1,1,0,0,0,0|1,0,1]=4 386 B4R0.2 OCCCO SC-25736 [1,1,0,0,0,0|1,0,1]=4 387 B4R0.3 CP(=O)(O)O SC-70367 [1,1,0,0,0,0|1,0,0]=3 388 B4R0.3 CS(C)(=N)=O SC-82490 [1,1,0,0,0,0|2,0,0]=4 389 B4R0.3 CS(N)(=O)=O SC-15857 [1,1,0,0,0,0|1,0,1]=4 390 B4R0.3 C[S+](C)(C)=O SC-18836 [1,1,0,0,0,0|2,0,0]=4 391 B4R0.3 C[S+](C)(C)=O SC-44978 [1,1,0,0,0,0|2,0,0]=4 392 B4R0.3 NS(=O)(=O)Cl SC-26177 [1,1,0,0,0,0|1,0,1]=4 393 B4R0.3 NS(N)(=O)=O SC-15253 [1,1,0,0,0,0|1,0,1]=4 394 B4R0.3 O=S(=O)(O)O SC-21121 [1,1,0,0,0,0|2,0,0]=4 395 B4R0.3 O=S(=O)(O)O SC-65219 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.1 C#CC(=O)OCC SC-05846 [0,2,0,0,0,0|1,0,1]=4 397 B6R0.1 C#CCC(=O)OC SC-13148 [0,2,0,0,0,0|1,0,0]=3 398 B6R0.1 C=CC(=O)NCO SC-75438 [0,2,0,0,0,0|1,0,1]=4 399 B6R0.1 C=CCC(=O)OC SC-48829 [0,2,0,0,0,0|1,0,0]=3 400 B6R0.1 CC#CC(=O)OC SC-48510 [0,2,0,0,0,0|1,0,1]=4 401 B6R0.1 CCOC(=N)CCl SC-39703 [0,2,0,0,0,0|2,0,0]=4 402 B6R0.1 CCOC(=N)CCl SC-53117 [0,2,0,0,0,0|2,0,0]=4 403 B6R0.1 CCOC(=O)C#N SC-20120 [0,2,0,0,0,0|0,0,2]=4 404 B6R0.1 CCOC(=O)CBr SC-17870 [0,2,0,0,0,0|1,0,0]=3 405 B6R0.1 CCOC(=O)CCl SC-79310 [0,2,0,0,0,0|1,0,0]=3 406 B6R0.1 CCOC(=O)CN SC-09569 [0,2,0,0,0,0|0,0,0]=2 407 B6R0.1 CCOC(=O)CN SC-48652 [0,2,0,0,0,0|0,0,0]=2 408 B6R0.1 CCOC(=O)CO SC-50412 [0,2,0,0,0,0|1,0,0]=3 409 B6R0.1 CCOC(=O)CS SC-18381 [0,2,0,0,0,0|1,0,0]=3 410 B6R0.1 CCOC(=O)NN SC-50147 [0,2,0,0,0,0|1,0,0]=3 411 B6R0.1 CNC(=O)CC#N SC-97600 [0,2,0,0,0,0|1,0,1]=4 412 B6R0.1 CNCC(=O)OC SC-10432 [0,2,0,0,0,0|0,0,0]=2 413 B6R0.1 COC(=O)C#CBr SC-66291 [0,2,0,0,0,0|1,0,1]=4 414 B6R0.1 COC(=O)CC=O SC-53143 [0,2,0,0,0,0|1,0,0]=3 415 B6R0.1 COC(=O)CCBr SC-18677 [0,2,0,0,0,0|1,0,0]=3 416 B6R0.1 COC(=O)CCN SC-21486 [0,2,0,0,0,0|0,0,0]=2 417 B6R0.1 COC(=O)CCO SC-21690 [0,2,0,0,0,0|1,0,0]=3 418 B6R0.1 COC(=O)CSC SC-20536 [0,2,0,0,0,0|1,0,0]=3 419 B6R0.1 COC(=O)N=C=S SC-A2325 [0,2,0,0,0,0|1,0,1]=4 420 B6R0.1 COC(=O)OCCl SC-53303 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.1 COCC(=O)NN SC-54001 [0,2,0,0,0,0|1,0,0]=3 422 B6R0.1 COCC(=O)OC SC-62202 [0,2,0,0,0,0|1,0,0]=3 423 B6R0.1 C\C=C\C(=O)OC SC-22589 [0,2,0,0,0,0|1,0,1]=4 424 B6R0.1 N#CCC(=O)NN SC-39668 [0,2,0,0,0,0|1,0,1]=4 425 B6R0.1 O=C(CCl)NCO SC-21590 [0,2,0,0,0,0|1,0,0]=3 426 B6R0.1 [C-]#[N+]CC(=O)OC SC-19522 [0,2,0,0,0,0|0,0,1]=3 427 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,2,0,0,0,0|2,0,0]=4 428 B6R0.2 CC(=O)NC(=N)N SC-45115 [0,2,0,0,0,0|1,0,1]=4 429 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,2,0,0,0,0|2,0,0]=4 430 B6R0.2 CC(=O)OC(C)C SC-25616 [0,2,0,0,0,0|2,0,0]=4 431 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,2,0,0,0,0|1,0,1]=4 432 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,2,0,0,0,0|1,0,1]=4 433 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,2,0,0,0,0|2,0,0]=4 434 B6R0.2 CN(C)CC(N)=O SC-89197 [0,2,0,0,0,0|1,0,0]=3 435 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,2,0,0,0,0|0,0,0]=2 436 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,2,0,0,0,0|0,0,0]=2 437 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,2,0,0,0,0|0,0,0]=2 438 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,2,0,0,0,0|1,0,0]=3 439 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.2 O=C(Cl)CC(=O)Cl SC-98168 [0,2,0,0,0,0|2,0,0]=4 441 B6R0.2 O=C([O-])CC(=O)[O-] SC-94719 [0,2,0,0,0,0|1,0,1]=4 442 B6R0.3 C=C(Br)C(=O)OC SC-86871 [0,2,0,0,0,0|1,0,1]=4 443 B6R0.3 C=C(C#N)C(=O)O SC-66090 [0,2,0,0,0,0|0,0,2]=4 444 B6R0.3 C=C(Cl)C(=O)OC SC-97454 [0,2,0,0,0,0|1,0,1]=4 445 B6R0.3 C=C(F)C(=O)OC SC-44271 [0,2,0,0,0,0|1,0,1]=4 446 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,2,0,0,0,0|1,0,0]=3 447 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,2,0,0,0,0|0,0,0]=2 448 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,2,0,0,0,0|0,0,1]=3 449 B6R0.3 CC(C)C(=N)NO SC-29781 [0,2,0,0,0,0|2,0,0]=4 450 B6R0.3 CC(C)C(=O)CBr SC-21776 [0,2,0,0,0,0|2,0,0]=4 451 B6R0.3 CC(C)C(=O)NN SC-82184 [0,2,0,0,0,0|2,0,0]=4 452 B6R0.3 CC(C)C(O)CN SC-34918 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.3 CC(C)C(O)CN SC-A3426 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,2,0,0,0,0|1,0,0]=3 455 B6R0.3 CC(CN)C(=O)O SC-10095 [0,2,0,0,0,0|0,0,0]=2 456 B6R0.3 CC(CN)C(=O)O SC-16443 [0,2,0,0,0,0|0,0,0]=2 457 B6R0.3 CCC(F)C(=O)O SC-82839 [0,2,0,0,0,0|1,0,0]=3 458 B6R0.3 CCC(N)C(=O)O SC-25570 [0,2,0,0,0,0|0,0,0]=2 459 B6R0.3 CCC(N)C(N)=O SC-67619 [0,2,0,0,0,0|1,0,0]=3 460 B6R0.3 CCC(S)C(=O)O SC-90417 [0,2,0,0,0,0|1,0,0]=3 461 B6R0.3 CCN(O)C(C)=O SC-69302 [0,2,0,0,0,0|2,0,0]=4 462 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,2,0,0,0,0|1,0,0]=3 463 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,2,0,0,0,0|0,0,0]=2 464 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,2,0,0,0,0|1,0,0]=3 465 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,2,0,0,0,0|0,0,0]=2 466 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,2,0,0,0,0|1,0,0]=3 467 B6R0.3 CN(C)C(=O)CCl SC-25918 [0,2,0,0,0,0|2,0,0]=4 468 B6R0.3 CN(C)C(=O)CN SC-26411 [0,2,0,0,0,0|1,0,0]=3 469 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,2,0,0,0,0|0,0,0]=2 470 B6R0.3 COC(=O)C(=N)N SC-33258 [0,2,0,0,0,0|0,0,1]=3 471 B6R0.3 COC(=O)C(=O)Cl SC-27409 [0,2,0,0,0,0|1,0,1]=4 472 B6R0.3 COC(=O)C(C)=O SC-15233 [0,2,0,0,0,0|1,0,1]=4 473 B6R0.3 COC(=O)C(C)Cl SC-18837 [0,2,0,0,0,0|1,0,0]=3 474 B6R0.3 COC(=O)C(C)N SC-09296 [0,2,0,0,0,0|0,0,0]=2 475 B6R0.3 COC(=O)C(C)N SC-54087 [0,2,0,0,0,0|0,0,0]=2 476 B6R0.3 COC(=O)C(C)O SC-01713 [0,2,0,0,0,0|1,0,0]=3 477 B6R0.3 COC(=O)[C@H](C)Cl SC-06555 [0,2,0,0,0,0|1,0,0]=3 478 B6R0.3 COC(=O)[C@H](C)N SC-09297 [0,2,0,0,0,0|0,0,0]=2 479 B6R0.3 COC(C)C(=O)O SC-49776 [0,2,0,0,0,0|1,0,0]=3 480 B6R0.3 COC(C)[C@@H](C)N SC-A2593 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,2,0,0,0,0|1,0,0]=3 482 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,2,0,0,0,0|1,0,0]=3 483 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,2,0,0,0,0|0,0,0]=2 484 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,2,0,0,0,0|0,0,0]=2 485 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,2,0,0,0,0|0,0,0]=2 486 B6R0.3 N#CC(N)C(N)=O SC-12334 [0,2,0,0,0,0|1,0,0]=3 487 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,2,0,0,0,0|1,0,0]=3 488 B6R0.3 NC(CO)C(=O)O SC-09828 [0,2,0,0,0,0|0,0,0]=2 489 B6R0.3 NC(CS)C(=O)O SC-16429 [0,2,0,0,0,0|0,0,0]=2 490 B6R0.3 NCC(N)C(=O)O SC-12518 [0,2,0,0,0,0|0,0,0]=2 491 B6R0.3 NCC(N)C(=O)O SC-26817 [0,2,0,0,0,0|0,0,0]=2 492 B6R0.3 NCC(O)C(=O)O SC-10335 [0,2,0,0,0,0|0,0,0]=2 493 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,2,0,0,0,0|0,0,0]=2 494 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,2,0,0,0,0|0,0,0]=2 495 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,2,0,0,0,0|0,0,0]=2 496 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,2,0,0,0,0|0,0,0]=2 497 B6R0.3 O=C(CCl)C(Cl)Cl SC-22403 [0,2,0,0,0,0|2,0,0]=4 498 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [0,2,0,0,0,0|2,0,0]=4 499 B6R0.3 O=C(O)C(=O)CBr SC-15238 [0,2,0,0,0,0|1,0,0]=3 500 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,2,0,0,0,0|1,0,0]=3 501 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,2,0,0,0,0|1,0,0]=3 502 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,2,0,0,0,0|1,0,0]=3 503 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,2,0,0,0,0|0,0,0]=2 504 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,2,0,0,0,0|0,0,0]=2 505 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,2,0,0,0,0|0,0,0]=2 506 B6R0.4 C#CCOC(=O)Cl SC-71217 [0,2,0,0,0,0|2,0,0]=4 507 B6R0.4 C=C(C)CNCC SC-47240 [0,2,0,0,0,0|2,0,0]=4 508 B6R0.4 C=CCCC(=O)O SC-25836 [0,2,0,0,0,0|1,0,0]=3 509 B6R0.4 C=CCOC(=O)Cl SC-18715 [0,2,0,0,0,0|2,0,0]=4 510 B6R0.4 C=CNCC(=O)O SC-20808 [0,2,0,0,0,0|0,0,0]=2 511 B6R0.4 CC(=O)CCCBr SC-91341 [0,2,0,0,0,0|2,0,0]=4 512 B6R0.4 CC(=O)NCCN SC-19651 [0,2,0,0,0,0|1,0,0]=3 513 B6R0.4 CCCCC(=O)Cl SC-46867 [0,2,0,0,0,0|2,0,0]=4 514 B6R0.4 CC\C=C\C(=O)O SC-92876 [0,2,0,0,0,0|1,0,0]=3 515 B6R0.4 CNCCC(=O)O SC-27492 [0,2,0,0,0,0|0,0,0]=2 516 B6R0.4 CNCCC(=O)O SC-52914 [0,2,0,0,0,0|0,0,0]=2 517 B6R0.4 COCCC(=O)O SC-50255 [0,2,0,0,0,0|1,0,0]=3 518 B6R0.4 CSCCC(=O)O SC-96567 [0,2,0,0,0,0|1,0,0]=3 519 B6R0.4 NCCCC(=O)O SC-10045 [0,2,0,0,0,0|0,0,0]=2 520 B6R0.4 O=C(Cl)CCCBr SC-70369 [0,2,0,0,0,0|2,0,0]=4 521 B6R0.4 O=C(O)C#CCO SC-89192 [0,2,0,0,0,0|1,0,0]=3 522 B6R0.4 O=C(O)CCCCl SC-89723 [0,2,0,0,0,0|1,0,0]=3 523 B6R0.4 O=C(O)\C=C\CBr SC-53654 [0,2,0,0,0,0|1,0,0]=3 524 B6R0.5 CC(C)(O)CCN SC-14242 [0,2,0,0,0,0|1,0,1]=4 525 B6R0.5 CCCP(=O)(O)O SC-A3323 [0,2,0,0,0,0|2,0,0]=4 526 B6R0.5 CCCS(=O)(=O)O SC-80781 [0,2,0,0,0,0|2,0,0]=4 527 B6R0.5 CCOP(=O)(O)O SC-A3396 [0,2,0,0,0,0|2,0,0]=4 528 B6R0.5 CS(=O)(=O)CCN SC-12252 [0,2,0,0,0,0|1,0,1]=4 529 B6R0.5 NCCP(=O)(O)O SC-98222 [0,2,0,0,0,0|1,0,0]=3 530 B6R0.5 O=P(O)(O)CCCl SC-79944 [0,2,0,0,0,0|2,0,0]=4 531 B6R0.5 O=S(=O)(O)CCBr SC-96124 [0,2,0,0,0,0|2,0,0]=4 532 B6R0.5 O=S(=O)(O)CCO SC-15822 [0,2,0,0,0,0|2,0,0]=4 533 B6R0.8 CC(C)(CN)CO SC-65465 [0,2,0,0,0,0|1,0,1]=4 534 B6R0.8 COC(C)(C)CN SC-47790 [0,2,0,0,0,0|1,0,1]=4 535 B6R0.8 NCC(F)(F)CO SC-A2137 [0,2,0,0,0,0|1,0,1]=4 536 B6R0.9 COC(CN)OC SC-15365 [0,2,0,0,0,0|0,0,2]=4 537 B6R0.7 CC(=O)C(C)(C)Br SC-94430 [0,2,0,0,0,0|2,0,0]=4 538 B6R0.7 CC(=O)C(C)(C)C SC-18255 [0,2,0,0,0,0|2,0,0]=4 539 B6R0.7 CC(=O)C(C)(C)O SC-68565 [0,2,0,0,0,0|2,0,0]=4 540 B6R0.7 CC(C)(Br)C(=O)O SC-76089 [0,2,0,0,0,0|1,0,0]=3 541 B6R0.7 CC(C)(Br)C(N)=O SC-97499 [0,2,0,0,0,0|2,0,0]=4 542 B6R0.7 CC(C)(C)C(=O)[O-] SC-91732 [0,2,0,0,0,0|1,0,1]=4 543 B6R0.7 CC(C)(C)C(N)=O SC-68560 [0,2,0,0,0,0|2,0,0]=4 544 B6R0.7 CC(C)(Cl)C(=O)Cl SC-72836 [0,2,0,0,0,0|2,0,0]=4 545 B6R0.7 CC(C)(N)C(=O)O SC-25938 [0,2,0,0,0,0|0,0,0]=2 546 B6R0.7 CC(C)(N)C(N)=O SC-43988 [0,2,0,0,0,0|1,0,0]=3 547 B6R0.7 CC(C)(O)C(=O)[O-] SC-08910 [0,2,0,0,0,0|1,0,1]=4 548 B6R0.7 CC(F)(F)C(=O)O SC-91857 [0,2,0,0,0,0|1,0,0]=3 549 B6R0.7 NC(=O)C(Cl)(Cl)Cl SC-15130 [0,2,0,0,0,0|2,0,0]=4 550 B6R0.7 NC(=O)C(F)(F)F SC-81885 [0,2,0,0,0,0|2,0,0]=4 551 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl SC-25558 [0,2,0,0,0,0|2,0,0]=4 552 B6R0.7 O=C(Cl)C(F)(F)Cl SC-62481 [0,2,0,0,0,0|2,0,0]=4 553 B6R0.7 O=C(O)C(F)(F)Br SC-16754 [0,2,0,0,0,0|1,0,0]=3 554 B6R0.7 O=C(O)C(F)(F)Cl SC-17398 [0,2,0,0,0,0|1,0,0]=3 555 B6R0.7 O=C([O-])C(F)(F)Br SC-92598 [0,2,0,0,0,0|1,0,1]=4 556 B6R0.7 O=C([O-])C(F)(F)Br SC-93972 [0,2,0,0,0,0|1,0,1]=4 557 B6R0.7 O=C([O-])C(F)(F)Cl SC-18819 [0,2,0,0,0,0|1,0,1]=4 558 B6R0.7 O=C([O-])C(F)(F)F SC-26353 [0,2,0,0,0,0|1,0,1]=4 559 B6R0.7 O=C([O-])C(F)(F)F SC-54376 [0,2,0,0,0,0|1,0,1]=4 560 B6R0.7 O=C([O-])C(F)(F)F SC-71416 [0,2,0,0,0,0|1,0,1]=4 561 B6R0.7 O=C([O-])C(F)(F)F SC-80717 [0,2,0,0,0,0|1,0,1]=4 562 B6R0.7 O=C([O-])C(F)(F)F SC-83366 [0,2,0,0,0,0|1,0,1]=4 563 B6R0.7 O=C([O-])C(F)(F)F SC-A4342 [0,2,0,0,0,0|1,0,1]=4 564 B4R1.1 C1CNC1 SC-20716 [1,0,0,1,0,0|1,0,1]=4 565 B4R1.2 NC1CC1 SC-13654 [1,0,0,1,0,0|1,0,1]=4 566 B4R1.2 OC1CC1 SC-48540 [1,0,0,1,0,0|1,0,1]=4 567 B6R1.2 CC1=CCCO1 SC-69814 [0,1,0,1,0,0|2,0,0]=4 568 B6R1.2 NC1=NCCO1 SC-89542 [0,1,0,1,0,0|2,0,0]=4 569 B6R1.2 O=C1C=CCC1 SC-07348 [0,1,0,1,0,0|2,0,0]=4 570 B6R1.2 O=C1C=CCN1 SC-67116 [0,1,0,1,0,0|2,0,0]=4 571 B6R1.2 O=C1C=CCO1 SC-50260 [0,1,0,1,0,0|1,0,1]=4 572 B6R1.2 O=C1CC=NN1 SC-89969 [0,1,0,1,0,0|1,0,1]=4 573 B6R1.2 O=C1CCCN1 SC-85210 [0,1,0,1,0,0|2,0,0]=4 574 B6R1.2 O=C1CCNC1 SC-24328 [0,1,0,1,0,0|1,0,0]=3 575 B6R1.2 O=C1CCNC1 SC-50749 [0,1,0,1,0,0|1,0,0]=3 576 B6R1.2 O=C1CCNN1 SC-21405 [0,1,0,1,0,0|1,0,0]=3 577 B6R1.2 O=C1CCOC1 SC-21867 [0,1,0,1,0,0|1,0,0]=3 578 B6R1.2 O=C1N=CNN1 SC-15326 [0,1,0,1,0,0|1,0,1]=4 579 B6R1.2 O=C1NCCO1 SC-04833 [0,1,0,1,0,0|1,0,0]=3 580 B6R1.2 O=C1NCCS1 SC-27050 [0,1,0,1,0,0|1,1,0]=4 581 B6R1.2 O=C1OC=CO1 SC-15988 [0,1,0,1,0,0|1,0,1]=4 582 B6R1.2 O=S1OCCO1 SC-15793 [0,1,0,1,0,0|2,0,0]=4 583 B6R1.2 OC1=CNN=C1 SC-71029 [0,1,0,1,0,0|1,0,1]=4 584 B6R1.2 OC1=NNCC1 SC-23225 [0,1,0,1,0,0|1,0,0]=3 585 B6R1.2 OC1CCNC1 SC-00623 [0,1,0,1,0,0|1,0,1]=4 586 B6R1.2 OC1CCNC1 SC-19629 [0,1,0,1,0,0|1,0,1]=4 587 B6R1.2 OC1CCNC1 SC-24957 [0,1,0,1,0,0|1,0,1]=4 588 B6R1.2 OC1CCNC1 SC-27708 [0,1,0,1,0,0|1,0,1]=4 589 B6R1.2 O[C@@H]1CCNC1 SC-00194 [0,1,0,1,0,0|1,0,1]=4 590 B6R1.2 O[C@@H]1CCNC1 SC-13984 [0,1,0,1,0,0|1,0,1]=4 591 B6R1.2 O[C@@H]1CNOC1 SC-83248 [0,1,0,1,0,0|0,0,2]=4 592 B6R1.2 O[C@H]1CNOC1 SC-83247 [0,1,0,1,0,0|0,0,2]=4 593 B6R1.2 [C@H]1(O)CCNC1 SC-24229 [0,1,0,1,0,0|1,0,1]=4 594 B6R1.5 CN1CC(O)C1 SC-92160 [0,1,0,1,0,0|1,0,1]=4 595 B6R1.5 NC1CC(=O)C1 SC-50311 [0,1,0,1,0,0|1,0,0]=3 596 B6R1.5 NC1CC(=O)C1 SC-67476 [0,1,0,1,0,0|1,0,0]=3 597 B6R1.5 NC1CC(O)C1 SC-52840 [0,1,0,1,0,0|1,0,1]=4 598 B6R1.5 N[C@H]1C[C@@H](O)C1 SC-94821 [0,1,0,1,0,0|1,0,1]=4 599 B6R1.5 N[C@H]1C[C@H](O)C1 SC-51722 [0,1,0,1,0,0|1,0,1]=4 600 B6R1.5 N[C@H]1C[C@H](O)C1 SC-94820 [0,1,0,1,0,0|1,0,1]=4 601 B6R1.10 CC1(O)CNC1 SC-43430 [0,1,0,1,0,0|1,0,1]=4 602 B6R1.11 CC(=O)C1CC1 SC-17503 [0,1,0,1,0,0|2,0,0]=4 603 B6R1.11 NC(=O)C1CC1 SC-92415 [0,1,0,1,0,0|2,0,0]=4 604 B6R1.11 O=C(Cl)C1CC1 SC-19263 [0,1,0,1,0,0|2,0,0]=4 605 B6R1.11 O=C(O)C1CC1 SC-22620 [0,1,0,1,0,0|1,0,0]=3 606 B6R1.11 O=C(O)C1CO1 SC-83949 [0,1,0,1,0,0|1,0,0]=3 607 B6R1.6 COC1CNC1 SC-13154 [0,1,0,1,0,0|1,0,1]=4 608 B6R1.6 NCC1COC1 SC-48246 [0,1,0,1,0,0|1,0,1]=4 609 B6R1.6 OCC1CNC1 SC-12744 [0,1,0,1,0,0|1,0,1]=4 610 B6R1.6 OCC1CNC1 SC-49233 [0,1,0,1,0,0|1,0,1]=4 611 B6R1.7 NCC1(O)CC1 SC-49870 [0,1,0,1,0,0|1,0,1]=4