0 B5R0.1 C#CCC(=O)O SC-40344 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C=C(C)CCBr SC-26305 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 C=C(C)OCC SC-18086 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 C=CCC(=O)O SC-49093 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 C=COC(C)=O SC-79059 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC#CC(=O)O SC-76460 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(=O)CC#N SC-26510 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(=O)CCCl SC-21586 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CC(=O)CCO SC-65678 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CC(=O)OCBr SC-44237 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 CC(=O)\C=N/O SC-89466 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(=O)\C=N\O SC-68143 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CC(C)=CCBr SC-13678 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CC(C)=CCN SC-51952 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CC(C)=CCO SC-77150 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CC(N)CCO SC-82589 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CCCB(O)O SC-47544 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 CCCC(=N)N SC-19347 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 CCCC(=O)Cl SC-18924 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 CCCC(=O)[O-] SC-15718 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.1 CCCC(C)N SC-53929 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 CCCC(C)O SC-03320 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 CCCC(N)=O SC-46377 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 CCN=C(N)N SC-15057 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 CCOC(=S)[S-] SC-62877 [0,0,0,0,0,0|2,2,0]=4 25 B5R0.1 CCOC(C)=N SC-02547 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.1 CCOC(C)=N SC-A3540 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.1 CCOC(N)=O SC-16133 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.1 CCSC(=N)N SC-20585 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.1 CCSC(=N)N SC-53442 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.1 CN(C)CCBr SC-21756 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.1 CN(C)CCBr SC-27529 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.1 CN(C)CCCl SC-18600 [0,0,0,0,0,0|4,0,0]=4 33 B5R0.1 CN(C)CCCl SC-47184 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.1 CN(C)CCO SC-87330 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.1 CNCC(=O)O SC-10425 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.1 CNCC(N)=O SC-10429 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.1 COCC(=N)N SC-41213 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.1 COCC(=N)N SC-73218 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.1 COCC(=O)Cl SC-27381 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.1 COCC(C)O SC-00293 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 COC[C@@H](C)O SC-04836 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.1 CS(=O)CCN SC-89327 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.1 CSCS(C)=O SC-87090 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.1 CSNC(C)=O SC-28667 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.1 C[C@@H](N)CCO SC-48293 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.1 C[C@@H](O)CCO SC-05919 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.1 C[C@H](O)CCO SC-02840 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 C\C=C/C(=O)O SC-25924 [0,0,0,0,0,0|1,0,2]=3 49 B5R0.1 C\C=C/C(C)=O SC-48085 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.1 C\C=C\C(=O)Cl SC-16256 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.1 N#CCC(=O)O SC-18648 [0,0,0,0,0,0|0,0,2]=2 52 B5R0.1 N#CCC(N)=O SC-26759 [0,0,0,0,0,0|1,0,2]=3 53 B5R0.1 NCCC(=O)O SC-10014 [0,0,0,0,0,0|0,0,0]=0 54 B5R0.1 NCCC(F)F SC-89198 [0,0,0,0,0,0|2,0,1]=3 55 B5R0.1 NCCC(N)=O SC-48688 [0,0,0,0,0,0|1,0,0]=1 56 B5R0.1 NCCC(N)=O SC-84499 [0,0,0,0,0,0|1,0,0]=1 57 B5R0.1 O=C(Cl)CCCl SC-16310 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.1 O=C(O)CCBr SC-18441 [0,0,0,0,0,0|1,0,0]=1 59 B5R0.1 O=C(O)CCS SC-22642 [0,0,0,0,0,0|1,0,0]=1 60 B4R0.1 C#CC(=O)O SC-46968 [1,0,0,0,0,0|0,0,2]=3 61 B4R0.1 C=C(Br)CBr SC-46621 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 C=C(C)CBr SC-50158 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 C=C(C)CF SC-89300 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 C=C(C)CN SC-43404 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 C=C(C)CN SC-84159 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 C=CC(=O)[O-] SC-19971 [1,0,0,0,0,0|0,0,3]=4 67 B4R0.1 CC(=O)C#N SC-51001 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 CC(=O)C=O SC-74380 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CC(=O)CBr SC-20936 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 CC(=O)CN SC-28532 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.1 CC(=O)CN SC-89750 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.1 CC(=O)NO SC-18498 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 CC(C)=NN SC-92874 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 CCB(O)O SC-04516 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.1 CCC(=N)N SC-53846 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.1 CCC(=O)O SC-22887 [1,0,0,0,0,0|0,0,0]=1 77 B4R0.1 CCC(=O)[O-] SC-47286 [1,0,0,0,0,0|0,0,1]=2 78 B4R0.1 CCC(C)O SC-01234 [1,0,0,0,0,0|1,0,1]=3 79 B4R0.1 CCC(N)=O SC-18213 [1,0,0,0,0,0|1,0,0]=2 80 B4R0.1 CCS(=O)[O-] SC-20356 [1,0,0,0,0,0|1,0,1]=3 81 B4R0.1 CC[C@H](C)N SC-81828 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 CC[C@H](C)O SC-04418 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.1 CNC(=N)N SC-18775 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.1 CNC(=N)N SC-78334 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.1 CNC(N)=O SC-15862 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 CSC(=N)N SC-97881 [1,0,0,0,0,0|3,0,0]=4 87 B4R0.1 C[C@@H](N)CN SC-08946 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 C[C@@H](O)CN SC-03087 [1,0,0,0,0,0|1,0,1]=3 89 B4R0.1 C[C@@H](O)CO SC-04433 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 C[C@H](N)CN SC-08947 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 C[C@H](O)CCl SC-99597 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 C[C@H](O)CN SC-03088 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 C[C@H](O)CO SC-04434 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 C\C=C(\C)Br SC-91379 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 N=C(N)CCl SC-69732 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 N=C(N)CO SC-41719 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.1 N=C(N)CO SC-50460 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 N=C(N)NN SC-15685 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.1 N=C(N)NN SC-16383 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.1 N=C(N)NN SC-A2698 [1,0,0,0,0,0|3,0,0]=4 101 B4R0.1 NC(=O)CBr SC-17752 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.1 NC(=O)CI SC-18913 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.1 NC(=O)NO SC-17803 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.1 NCC(=O)O SC-26884 [1,0,0,0,0,0|0,0,0]=1 105 B4R0.1 NCC(F)F SC-43926 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 NCC(N)=O SC-09567 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.1 NCC(N)=O SC-18427 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.1 NNC(N)=O SC-18463 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 NNC(N)=O SC-47308 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 O=C(Br)CBr SC-18428 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.1 O=C(Cl)CBr SC-49267 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.1 O=C(O)CBr SC-18211 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.1 O=C(O)CO SC-23119 [1,0,0,0,0,0|1,0,0]=2 114 B4R0.1 O=C(O)CO SC-26092 [1,0,0,0,0,0|1,0,0]=2 115 B4R0.1 O=C([O-])CI SC-80290 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 O=CC(=O)O SC-25819 [1,0,0,0,0,0|1,0,1]=3 117 B4R0.2 BrCCCBr SC-79111 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.2 C#CCCBr SC-52138 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.2 C#CCCN SC-49547 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.2 C#CCCO SC-17773 [1,0,0,0,0,0|1,0,2]=4 121 B4R0.2 C#CCNO SC-A2362 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.2 C=CCCCl SC-90795 [1,0,0,0,0,0|2,0,0]=3 123 B4R0.2 C=CCCN SC-48242 [1,0,0,0,0,0|1,0,0]=2 124 B4R0.2 C=CCCN SC-52106 [1,0,0,0,0,0|1,0,0]=2 125 B4R0.2 C=CCCO SC-45284 [1,0,0,0,0,0|2,0,0]=3 126 B4R0.2 C=CCNC SC-05902 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.2 C=CCON SC-96333 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.2 C=CCSC SC-47211 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.2 CCCNC SC-27548 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.2 CCN=C=O SC-11793 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.2 CNCCBr SC-98001 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.2 COCC=O SC-48883 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.2 COCCCl SC-05903 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.2 COCCN SC-22236 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.2 CSCCCl SC-53991 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.2 CSCCN SC-28443 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.2 CSCCN SC-83550 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.2 CSCCO SC-19276 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.2 C\C=C/CO SC-69832 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.2 C\C=C\CCl SC-22573 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.2 C\C=C\CO SC-25521 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.2 C\C=C\CO SC-69597 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.2 ClCCCI SC-73683 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 Cl\C=C\CCl SC-17396 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 FCCCBr SC-49851 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.2 FCCCI SC-84350 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.2 ICCCI SC-89448 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.2 N#CCCBr SC-46247 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.2 NCCCBr SC-39593 [1,0,0,0,0,0|1,0,1]=3 150 B4R0.2 NCCCBr SC-48386 [1,0,0,0,0,0|1,0,1]=3 151 B4R0.2 NCCCCl SC-15218 [1,0,0,0,0,0|1,0,1]=3 152 B4R0.2 NCCCO SC-16407 [1,0,0,0,0,0|0,0,1]=2 153 B4R0.2 NCCCS SC-52748 [1,0,0,0,0,0|0,1,1]=3 154 B4R0.2 NNCCO SC-15469 [1,0,0,0,0,0|1,0,1]=3 155 B4R0.2 NOCCO SC-41192 [1,0,0,0,0,0|1,0,1]=3 156 B4R0.2 O=CCCCl SC-71322 [1,0,0,0,0,0|1,0,0]=2 157 B4R0.2 O=CCCO SC-52939 [1,0,0,0,0,0|1,0,0]=2 158 B4R0.2 O=C[N-]C=O SC-93635 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 OCCCBr SC-13514 [1,0,0,0,0,0|1,0,1]=3 160 B4R0.2 OCCCCl SC-15525 [1,0,0,0,0,0|1,0,1]=3 161 B4R0.2 OCCCF SC-24862 [1,0,0,0,0,0|1,0,1]=3 162 B4R0.2 OCCCI SC-65803 [1,0,0,0,0,0|1,0,1]=3 163 B4R0.2 OCCCO SC-25736 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.2 SCCCS SC-17571 [1,0,0,0,0,0|1,1,1]=4 165 B6R0.1 C#CC(=O)OCC SC-05846 [0,1,0,0,0,0|3,0,0]=4 166 B6R0.1 C#CCC(=O)OC SC-13148 [0,1,0,0,0,0|1,0,1]=3 167 B6R0.1 C=CC(=O)NCO SC-75438 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.1 C=CCC(=O)OC SC-48829 [0,1,0,0,0,0|1,0,1]=3 169 B6R0.1 CC#CC(=O)OC SC-48510 [0,1,0,0,0,0|1,0,2]=4 170 B6R0.1 CCOC(=O)C#N SC-20120 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.1 CCOC(=O)CBr SC-17870 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.1 CCOC(=O)CCl SC-79310 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.1 CCOC(=O)CN SC-09569 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.1 CCOC(=O)CN SC-48652 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.1 CCOC(=O)CO SC-50412 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.1 CCOC(=O)CS SC-18381 [0,1,0,0,0,0|2,1,0]=4 177 B6R0.1 CCOC(=O)NN SC-50147 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.1 CNC(=O)CC#N SC-97600 [0,1,0,0,0,0|1,0,2]=4 179 B6R0.1 CNCC(=O)OC SC-10432 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.1 COC(=O)C#CBr SC-66291 [0,1,0,0,0,0|1,0,2]=4 181 B6R0.1 COC(=O)CC=O SC-53143 [0,1,0,0,0,0|1,0,1]=3 182 B6R0.1 COC(=O)CCBr SC-18677 [0,1,0,0,0,0|1,0,0]=2 183 B6R0.1 COC(=O)CCN SC-21486 [0,1,0,0,0,0|0,0,0]=1 184 B6R0.1 COC(=O)CCO SC-21690 [0,1,0,0,0,0|1,0,0]=2 185 B6R0.1 COC(=O)CSC SC-20536 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.1 COC(=O)N=C=S SC-A2325 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.1 COC(=O)OCCl SC-53303 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.1 COCC(=O)NN SC-54001 [0,1,0,0,0,0|3,0,0]=4 189 B6R0.1 COCC(=O)OC SC-62202 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.1 C\C=C\C(=O)OC SC-22589 [0,1,0,0,0,0|1,0,2]=4 191 B6R0.1 N#CCC(=O)NN SC-39668 [0,1,0,0,0,0|1,0,2]=4 192 B6R0.1 O=C(CCl)NCO SC-21590 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.1 OCCC(O)CO SC-15322 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.1 OCC[C@H](O)CO SC-08973 [0,1,0,0,0,0|1,0,2]=4 195 B6R0.1 [C-]#[N+]CC(=O)OC SC-19522 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.2 CC(=O)NC(=N)N SC-45115 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.2 CC(=O)OC(C)C SC-25616 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,1,0,0,0,0|1,0,2]=4 202 B6R0.2 CC(C)CB(O)O SC-06923 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.2 CN(C)CC(N)=O SC-89197 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,1,0,0,0,0|0,0,0]=1 206 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,1,0,0,0,0|0,0,0]=1 207 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,1,0,0,0,0|0,0,0]=1 208 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,1,0,0,0,0|1,0,0]=2 209 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.2 O=C(Cl)CC(=O)Cl SC-98168 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.2 O=C([O-])CC(=O)[O-] SC-94719 [0,1,0,0,0,0|1,0,2]=4 212 B6R0.3 C=C(C#N)C(=O)O SC-66090 [0,1,0,0,0,0|0,0,3]=4 213 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,1,0,0,0,0|1,0,1]=3 214 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,1,0,0,0,0|1,0,1]=3 215 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,1,0,0,0,0|0,0,2]=3 216 B6R0.3 CC(C)C(O)CN SC-34918 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.3 CC(C)C(O)CN SC-A3426 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,1,0,0,0,0|1,0,0]=2 219 B6R0.3 CC(CN)C(=O)O SC-10095 [0,1,0,0,0,0|0,0,0]=1 220 B6R0.3 CC(CN)C(=O)O SC-16443 [0,1,0,0,0,0|0,0,0]=1 221 B6R0.3 CCC(F)C(=O)O SC-82839 [0,1,0,0,0,0|1,0,0]=2 222 B6R0.3 CCC(N)C(=O)O SC-25570 [0,1,0,0,0,0|1,0,0]=2 223 B6R0.3 CCC(N)C(N)=O SC-67619 [0,1,0,0,0,0|2,0,0]=3 224 B6R0.3 CCC(S)C(=O)O SC-90417 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.3 CCN(O)C(C)=O SC-69302 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,1,0,0,0,0|1,0,0]=2 230 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.3 COC(C)C(=O)O SC-49776 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,1,0,0,0,0|0,0,0]=1 236 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,1,0,0,0,0|0,0,0]=1 237 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,1,0,0,0,0|0,0,0]=1 238 B6R0.3 N#CC(N)C(N)=O SC-12334 [0,1,0,0,0,0|1,0,2]=4 239 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,1,0,0,0,0|2,0,0]=3 240 B6R0.3 NC(CO)C(=O)O SC-09828 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.3 NC(CS)C(=O)O SC-16429 [0,1,0,0,0,0|1,0,0]=2 242 B6R0.3 NCC(N)C(=O)O SC-12518 [0,1,0,0,0,0|0,0,0]=1 243 B6R0.3 NCC(N)C(=O)O SC-26817 [0,1,0,0,0,0|0,0,0]=1 244 B6R0.3 NCC(O)C(=O)O SC-10335 [0,1,0,0,0,0|0,0,0]=1 245 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,1,0,0,0,0|0,0,0]=1 246 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,1,0,0,0,0|1,0,0]=2 247 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,1,0,0,0,0|1,0,0]=2 248 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,1,0,0,0,0|1,0,0]=2 249 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.3 O=C(O)C(=O)CBr SC-15238 [0,1,0,0,0,0|1,0,1]=3 251 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,1,0,0,0,0|1,0,0]=2 252 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,1,0,0,0,0|1,0,0]=2 253 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,1,0,0,0,0|1,0,0]=2 256 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,1,0,0,0,0|1,0,0]=2 257 B6R0.4 C#CCOC(=O)Cl SC-71217 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.4 C=C(C)CNCC SC-47240 [0,1,0,0,0,0|3,0,0]=4 259 B6R0.4 C=CCCC(=O)O SC-25836 [0,1,0,0,0,0|1,0,0]=2 260 B6R0.4 C=CCOC(=O)Cl SC-18715 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.4 C=CNCC(=O)O SC-20808 [0,1,0,0,0,0|1,0,1]=3 262 B6R0.4 CC(=O)CCCBr SC-91341 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.4 CC(=O)NCCN SC-19651 [0,1,0,0,0,0|1,0,0]=2 264 B6R0.4 CCCCC(=O)Cl SC-46867 [0,1,0,0,0,0|2,0,0]=3 265 B6R0.4 CC\C=C\C(=O)O SC-92876 [0,1,0,0,0,0|1,0,1]=3 266 B6R0.4 CNCCC(=O)O SC-27492 [0,1,0,0,0,0|0,0,0]=1 267 B6R0.4 CNCCC(=O)O SC-52914 [0,1,0,0,0,0|0,0,0]=1 268 B6R0.4 CNCCN(C)C SC-29103 [0,1,0,0,0,0|3,0,0]=4 269 B6R0.4 COCCC(=O)O SC-50255 [0,1,0,0,0,0|1,0,0]=2 270 B6R0.4 CSCCC(=O)O SC-96567 [0,1,0,0,0,0|1,0,0]=2 271 B6R0.4 NCCCC(=O)O SC-10045 [0,1,0,0,0,0|0,0,0]=1 272 B6R0.4 O=C(Cl)CCCBr SC-70369 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.4 O=C(O)C#CCO SC-89192 [0,1,0,0,0,0|1,0,1]=3 274 B6R0.4 O=C(O)CCCCl SC-89723 [0,1,0,0,0,0|1,0,0]=2 275 B6R0.4 O=C(O)\C=C\CBr SC-53654 [0,1,0,0,0,0|1,0,1]=3 276 B6R0.5 CC(C)(O)CCBr SC-A2798 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.5 CC(C)(O)CCN SC-14242 [0,1,0,0,0,0|1,0,1]=3 278 B6R0.5 CC(C)(O)CCO SC-20680 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.5 CCCP(=O)(O)O SC-A3323 [0,1,0,0,0,0|2,0,0]=3 280 B6R0.5 CCCS(=O)(=O)O SC-80781 [0,1,0,0,0,0|2,0,0]=3 281 B6R0.5 CCCS(N)(=O)=O SC-95067 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.5 CCOP(=O)(O)O SC-A3396 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.5 CS(=O)(=O)CCBr SC-03864 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.5 CS(=O)(=O)CCN SC-12252 [0,1,0,0,0,0|1,0,1]=3 285 B6R0.5 NCCC(F)(F)F SC-40465 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.5 NCCC(F)(F)F SC-95180 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.5 NCCP(=O)(O)O SC-98222 [0,1,0,0,0,0|1,0,0]=2 288 B6R0.5 O=P(O)(O)CCCl SC-79944 [0,1,0,0,0,0|2,0,0]=3 289 B6R0.5 O=S(=O)(O)CCBr SC-96124 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.5 O=S(=O)(O)CCO SC-15822 [0,1,0,0,0,0|2,0,0]=3 291 B6R0.5 O=S(=O)([O-])CCO SC-80079 [0,1,0,0,0,0|2,0,1]=4 292 B6R1.2 BrC1CCNC1 SC-24702 [0,0,0,1,0,0|2,0,1]=4 293 B6R1.2 CC1=CCCC1 SC-46849 [0,0,0,1,0,0|3,0,0]=4 294 B6R1.2 CC1=CCCO1 SC-69814 [0,0,0,1,0,0|2,0,1]=4 295 B6R1.2 CC1=NCCC1 SC-07079 [0,0,0,1,0,0|3,0,0]=4 296 B6R1.2 CC1CCNC1 SC-24125 [0,0,0,1,0,0|2,0,1]=4 297 B6R1.2 CC1CCNC1 SC-49333 [0,0,0,1,0,0|2,0,1]=4 298 B6R1.2 C[C@@H]1CCNC1 SC-23714 [0,0,0,1,0,0|2,0,1]=4 299 B6R1.2 C[C@@H]1CCNC1 SC-50232 [0,0,0,1,0,0|2,0,1]=4 300 B6R1.2 C[C@H]1CCNC1 SC-50233 [0,0,0,1,0,0|2,0,1]=4 301 B6R1.2 FC1CCNC1 SC-28940 [0,0,0,1,0,0|2,0,1]=4 302 B6R1.2 F[C@H]1CCNC1 SC-43922 [0,0,0,1,0,0|2,0,1]=4 303 B6R1.2 NC1=NCCC1 SC-68430 [0,0,0,1,0,0|3,0,0]=4 304 B6R1.2 NC1=NCCO1 SC-89542 [0,0,0,1,0,0|3,0,0]=4 305 B6R1.2 NC1CCNC1 SC-18208 [0,0,0,1,0,0|2,0,1]=4 306 B6R1.2 NC1CCNC1 SC-62350 [0,0,0,1,0,0|2,0,1]=4 307 B6R1.2 O=C1C=CCC1 SC-07348 [0,0,0,1,0,0|2,0,0]=3 308 B6R1.2 O=C1C=CCN1 SC-67116 [0,0,0,1,0,0|3,0,0]=4 309 B6R1.2 O=C1C=CCO1 SC-50260 [0,0,0,1,0,0|1,0,2]=4 310 B6R1.2 O=C1CC=NN1 SC-89969 [0,0,0,1,0,0|1,0,2]=4 311 B6R1.2 O=C1CCCN1 SC-85210 [0,0,0,1,0,0|2,0,0]=3 312 B6R1.2 O=C1CCNC1 SC-24328 [0,0,0,1,0,0|1,0,0]=2 313 B6R1.2 O=C1CCNC1 SC-50749 [0,0,0,1,0,0|1,0,0]=2 314 B6R1.2 O=C1CCNN1 SC-21405 [0,0,0,1,0,0|1,0,0]=2 315 B6R1.2 O=C1CCOC1 SC-21867 [0,0,0,1,0,0|2,0,0]=3 316 B6R1.2 O=C1N=CNN1 SC-15326 [0,0,0,1,0,0|2,0,1]=4 317 B6R1.2 O=C1NCCO1 SC-04833 [0,0,0,1,0,0|2,0,0]=3 318 B6R1.2 O=C1NCCS1 SC-27050 [0,0,0,1,0,0|2,1,0]=4 319 B6R1.2 O=C1OC=CO1 SC-15988 [0,0,0,1,0,0|2,0,1]=4 320 B6R1.2 O=S1OCCO1 SC-15793 [0,0,0,1,0,0|3,0,0]=4 321 B6R1.2 OC1=CNN=C1 SC-71029 [0,0,0,1,0,0|2,0,1]=4 322 B6R1.2 OC1=NNCC1 SC-23225 [0,0,0,1,0,0|1,0,0]=2 323 B6R1.2 OC1CCCN1 SC-21341 [0,0,0,1,0,0|2,0,1]=4 324 B6R1.2 OC1CCNC1 SC-00623 [0,0,0,1,0,0|1,0,1]=3 325 B6R1.2 OC1CCNC1 SC-19629 [0,0,0,1,0,0|1,0,1]=3 326 B6R1.2 OC1CCNC1 SC-24957 [0,0,0,1,0,0|1,0,1]=3 327 B6R1.2 OC1CCNC1 SC-27708 [0,0,0,1,0,0|1,0,1]=3 328 B6R1.2 OC1CCOC1 SC-17875 [0,0,0,1,0,0|2,0,1]=4 329 B6R1.2 O[C@@H]1CCNC1 SC-00194 [0,0,0,1,0,0|1,0,1]=3 330 B6R1.2 O[C@@H]1CCNC1 SC-13984 [0,0,0,1,0,0|1,0,1]=3 331 B6R1.2 O[C@@H]1CCOC1 SC-07022 [0,0,0,1,0,0|2,0,1]=4 332 B6R1.2 O[C@@H]1CNOC1 SC-83248 [0,0,0,1,0,0|2,0,1]=4 333 B6R1.2 O[C@H]1CCOC1 SC-08982 [0,0,0,1,0,0|2,0,1]=4 334 B6R1.2 O[C@H]1CCOC1 SC-50082 [0,0,0,1,0,0|2,0,1]=4 335 B6R1.2 O[C@H]1CNOC1 SC-83247 [0,0,0,1,0,0|2,0,1]=4 336 B6R1.2 [C@H]1(O)CCNC1 SC-24229 [0,0,0,1,0,0|1,0,1]=3 337 B6R1.3 BrCCC1CO1 SC-20894 [0,0,0,1,0,0|2,0,1]=4 338 B6R1.3 NCCC1CC1 SC-14247 [0,0,0,1,0,0|2,0,1]=4 339 B6R1.3 NCCC1CC1 SC-99606 [0,0,0,1,0,0|2,0,1]=4 340 B6R1.5 CN1CC(N)C1 SC-48566 [0,0,0,1,0,0|3,0,0]=4 341 B6R1.5 CN1CC(N)C1 SC-96394 [0,0,0,1,0,0|3,0,0]=4 342 B6R1.5 CN1CC(N)C1 SC-98163 [0,0,0,1,0,0|3,0,0]=4 343 B6R1.5 NC1CC(=O)C1 SC-50311 [0,0,0,1,0,0|1,0,0]=2 344 B6R1.5 NC1CC(=O)C1 SC-67476 [0,0,0,1,0,0|1,0,0]=2 345 B6R1.5 NC1CC(F)C1 SC-82347 [0,0,0,1,0,0|2,0,1]=4 346 B6R1.5 NC1CC(O)C1 SC-52840 [0,0,0,1,0,0|1,0,1]=3 347 B6R1.5 N[C@H]1C[C@@H](O)C1 SC-94821 [0,0,0,1,0,0|1,0,1]=3 348 B6R1.5 N[C@H]1C[C@H](O)C1 SC-51722 [0,0,0,1,0,0|1,0,1]=3 349 B6R1.5 N[C@H]1C[C@H](O)C1 SC-94820 [0,0,0,1,0,0|1,0,1]=3 350 B6R1.9 NC1CC1(F)F SC-88484 [0,0,0,1,0,0|2,0,1]=4 351 B6R1.10 O=S1(=O)CCC1 SC-28013 [0,0,0,1,0,0|2,0,1]=4 352 B6R1.11 CC(=O)C1CC1 SC-17503 [0,0,0,1,0,0|2,0,0]=3 353 B6R1.11 CC(O)C1CC1 SC-19615 [0,0,0,1,0,0|2,0,1]=4 354 B6R1.11 N=C(N)C1CC1 SC-05436 [0,0,0,1,0,0|3,0,0]=4 355 B6R1.11 N=C(N)C1CC1 SC-12465 [0,0,0,1,0,0|3,0,0]=4 356 B6R1.11 NC(=O)C1CC1 SC-92415 [0,0,0,1,0,0|2,0,0]=3 357 B6R1.11 O=C(Cl)C1CC1 SC-19263 [0,0,0,1,0,0|2,0,0]=3 358 B6R1.11 O=C(O)C1CC1 SC-22620 [0,0,0,1,0,0|1,0,0]=2 359 B6R1.11 O=C(O)C1CO1 SC-83949 [0,0,0,1,0,0|1,0,0]=2 360 B6R1.11 OB(O)C1CC1 SC-04359 [0,0,0,1,0,0|2,0,1]=4 361 B3R0.1 C=CCN SC-13610 [2,0,0,0,0,0|0,0,1]=3 362 B3R0.1 C=C[CH-]C SC-90438 [2,0,0,0,0,0|1,0,1]=4 363 B3R0.1 CCC[Zn+] SC-92929 [2,0,0,0,0,0|1,0,1]=4 364 B3R0.1 CCNN SC-47438 [2,0,0,0,0,0|1,0,1]=4 365 B3R0.1 CCNN SC-88458 [2,0,0,0,0,0|1,0,1]=4 366 B3R0.1 CCNO SC-82856 [2,0,0,0,0,0|1,0,0]=3 367 B3R0.1 CCO[NH3+] SC-76549 [2,0,0,0,0,0|2,0,0]=4 368 B3R0.1 C\C=C\Br SC-50117 [2,0,0,0,0,0|1,0,1]=4 369 B3R0.1 C\C=N\O SC-16388 [2,0,0,0,0,0|1,0,1]=4 370 B3R0.1 ClCCBr SC-16459 [2,0,0,0,0,0|2,0,0]=4 371 B3R0.1 ClCCI SC-93145 [2,0,0,0,0,0|2,0,0]=4 372 B3R0.1 FCCBr SC-16577 [2,0,0,0,0,0|2,0,0]=4 373 B3R0.1 N#CCN SC-16069 [2,0,0,0,0,0|1,0,1]=4 374 B3R0.1 N#CCN SC-46133 [2,0,0,0,0,0|1,0,1]=4 375 B3R0.1 NCCBr SC-11569 [2,0,0,0,0,0|1,0,0]=3 376 B3R0.1 NCCCl SC-15450 [2,0,0,0,0,0|1,0,0]=3 377 B3R0.1 NCCCl SC-40145 [2,0,0,0,0,0|1,0,0]=3 378 B3R0.1 NCCF SC-66629 [2,0,0,0,0,0|1,0,0]=3 379 B3R0.1 NCCF SC-89351 [2,0,0,0,0,0|1,0,0]=3 380 B3R0.1 NNC=O SC-22540 [2,0,0,0,0,0|1,0,0]=3 381 B3R0.1 OCCBr SC-26949 [2,0,0,0,0,0|1,0,0]=3 382 B3R0.1 OCCF SC-22570 [2,0,0,0,0,0|1,0,0]=3 383 B3R0.1 OCCI SC-46883 [2,0,0,0,0,0|1,0,0]=3 384 B3R0.1 OCCO SC-A3578 [2,0,0,0,0,0|1,0,0]=3 385 B3R0.1 SCCS SC-27058 [2,0,0,0,0,0|1,1,0]=4 386 B3R0.2 C=C(C)[Mg+] SC-70280 [2,0,0,0,0,0|2,0,0]=4 387 B3R0.2 CB(O)O SC-00749 [2,0,0,0,0,0|1,0,1]=4 388 B3R0.2 CC(=N)N SC-19002 [2,0,0,0,0,0|2,0,0]=4 389 B3R0.2 CC(=O)O SC-16774 [2,0,0,0,0,0|0,0,0]=2 390 B3R0.2 CC(=O)O SC-27909 [2,0,0,0,0,0|0,0,0]=2 391 B3R0.2 CC(=O)[O-] SC-03583 [2,0,0,0,0,0|0,0,1]=3 392 B3R0.2 CC(=O)[O-] SC-12688 [2,0,0,0,0,0|0,0,1]=3 393 B3R0.2 CC(=O)[O-] SC-18918 [2,0,0,0,0,0|0,0,1]=3 394 B3R0.2 CC(=O)[O-] SC-18995 [2,0,0,0,0,0|0,0,1]=3 395 B3R0.2 CC(=O)[O-] SC-26584 [2,0,0,0,0,0|0,0,1]=3 396 B3R0.2 CC(=O)[O-] SC-46842 [2,0,0,0,0,0|0,0,1]=3 397 B3R0.2 CC(=O)[O-] SC-81401 [2,0,0,0,0,0|0,0,1]=3 398 B3R0.2 CC(=O)[O-] SC-88396 [2,0,0,0,0,0|0,0,1]=3 399 B3R0.2 CC(=O)[O-] SC-93306 [2,0,0,0,0,0|0,0,1]=3 400 B3R0.2 CC(N)=O SC-18410 [2,0,0,0,0,0|1,0,0]=3 401 B3R0.2 CC(N)=S SC-17261 [2,0,0,0,0,0|1,1,0]=4 402 B3R0.2 CC([O-])=S SC-15916 [2,0,0,0,0,0|0,1,1]=4 403 B3R0.2 CS(=O)[O-] SC-19511 [2,0,0,0,0,0|1,0,1]=4 404 B3R0.2 C[PH](C)=O SC-72909 [2,0,0,0,0,0|2,0,0]=4 405 B3R0.2 N=C(N)Cl SC-77353 [2,0,0,0,0,0|2,0,0]=4 406 B3R0.2 N=C(N)N SC-18582 [2,0,0,0,0,0|2,0,0]=4 407 B3R0.2 NC(=S)S SC-18554 [2,0,0,0,0,0|0,2,0]=4 408 B3R0.2 NC(N)=O SC-75453 [2,0,0,0,0,0|1,0,0]=3 409 B3R0.2 NC(N)=O SC-81784 [2,0,0,0,0,0|1,0,0]=3 410 B3R0.2 O=C(O)O SC-18529 [2,0,0,0,0,0|1,0,0]=3 411 B3R0.2 O=C([O-])O SC-80213 [2,0,0,0,0,0|1,0,0]=3 412 B3R0.2 O=C([O-])[O-] SC-97647 [2,0,0,0,0,0|1,0,1]=4 413 B5R0.3 C#CC(=O)OC SC-27849 [1,1,0,0,0,0|0,0,2]=4 414 B5R0.3 C#CC(O)CC SC-68723 [1,1,0,0,0,0|1,0,1]=4 415 B5R0.3 C=C(CO)CO SC-17984 [1,1,0,0,0,0|2,0,0]=4 416 B5R0.3 C=CC(O)CC SC-93539 [1,1,0,0,0,0|1,0,1]=4 417 B5R0.3 CCC(=O)NN SC-25039 [1,1,0,0,0,0|1,0,0]=3 418 B5R0.3 CCC(C)CO SC-08990 [1,1,0,0,0,0|1,0,1]=4 419 B5R0.3 CCC(N)CO SC-21072 [1,1,0,0,0,0|1,0,1]=4 420 B5R0.3 CCC(O)CC SC-62307 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.3 CC[PH](=O)CC SC-96905 [1,1,0,0,0,0|2,0,0]=4 422 B5R0.3 CC\C(N)=N\O SC-28960 [1,1,0,0,0,0|1,0,0]=3 423 B5R0.3 CNC(=O)CBr SC-27946 [1,1,0,0,0,0|2,0,0]=4 424 B5R0.3 CNC(=O)CN SC-47802 [1,1,0,0,0,0|1,0,0]=3 425 B5R0.3 CNC(=O)OC SC-97890 [1,1,0,0,0,0|1,0,0]=3 426 B5R0.3 COC(=O)C#N SC-49091 [1,1,0,0,0,0|0,0,2]=4 427 B5R0.3 COC(=O)CBr SC-15855 [1,1,0,0,0,0|1,0,0]=3 428 B5R0.3 COC(=O)CN SC-09571 [1,1,0,0,0,0|0,0,0]=2 429 B5R0.3 COC(=O)CN SC-49390 [1,1,0,0,0,0|0,0,0]=2 430 B5R0.3 COC(=O)CO SC-28291 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.3 COC(=O)CS SC-54102 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.3 COC(C)CN SC-A4864 [1,1,0,0,0,0|1,0,1]=4 433 B5R0.3 COS(=O)OC SC-25522 [1,1,0,0,0,0|2,0,0]=4 434 B5R0.3 NCC(O)CO SC-15511 [1,1,0,0,0,0|0,0,2]=4 435 B5R0.3 NC[C@@H](O)CO SC-06146 [1,1,0,0,0,0|0,0,2]=4 436 B5R0.3 NC[C@H](O)CCl SC-89081 [1,1,0,0,0,0|1,0,1]=4 437 B5R0.3 NNC(=O)CO SC-83204 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.3 O=C(CBr)CBr SC-99341 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.3 O=C(CO)CO SC-07450 [1,1,0,0,0,0|1,0,0]=3 440 B5R0.3 O=CC(O)CO SC-04830 [1,1,0,0,0,0|1,0,1]=4 441 B5R0.3 [C@H](N)(CC)CO SC-08958 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.3 [C@H](O)(CN)CO SC-05739 [1,1,0,0,0,0|0,0,2]=4 443 B5R0.4 CC(C)(O)CN SC-14245 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.4 CCS(=O)(=O)Cl SC-25371 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.4 CCS(=O)(=O)O SC-46368 [1,1,0,0,0,0|1,0,0]=3 446 B5R0.4 CCS(N)(=O)=O SC-18888 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.4 NCP(=O)(O)O SC-86885 [1,1,0,0,0,0|1,0,0]=3 448 B5R0.4 NOS(=O)(=O)O SC-18714 [1,1,0,0,0,0|2,0,0]=4 449 B5R0.5 C=C(C)C(N)=O SC-74591 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.5 C=C(F)C(=O)O SC-47473 [1,1,0,0,0,0|0,0,2]=4 451 B5R0.5 CC(=O)C(=O)O SC-17382 [1,1,0,0,0,0|0,0,1]=3 452 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [1,1,0,0,0,0|0,0,2]=4 453 B5R0.5 CC(=O)C(C)C SC-18478 [1,1,0,0,0,0|1,0,0]=3 454 B5R0.5 CC(=O)C(C)Cl SC-46981 [1,1,0,0,0,0|1,0,0]=3 455 B5R0.5 CC(=O)C(C)S SC-17208 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.5 CC(=O)C(F)F SC-99156 [1,1,0,0,0,0|2,0,0]=4 457 B5R0.5 CC(=O)N(C)C SC-54108 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.5 CC(Br)C(N)=O SC-97497 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.5 CC(C)B(O)O SC-66620 [1,1,0,0,0,0|1,0,1]=4 460 B5R0.5 CC(C)C(=N)N SC-13079 [1,1,0,0,0,0|2,0,0]=4 461 B5R0.5 CC(F)C(=O)O SC-83429 [1,1,0,0,0,0|0,0,0]=2 462 B5R0.5 CC(N)C(=O)O SC-09271 [1,1,0,0,0,0|0,0,0]=2 463 B5R0.5 CC(N)C(N)=O SC-94219 [1,1,0,0,0,0|1,0,0]=3 464 B5R0.5 CC(O)C(=O)[O-] SC-19308 [1,1,0,0,0,0|0,0,1]=3 465 B5R0.5 CC(O)C(=O)[O-] SC-25623 [1,1,0,0,0,0|0,0,1]=3 466 B5R0.5 CC(O)C(=O)[O-] SC-75139 [1,1,0,0,0,0|0,0,1]=3 467 B5R0.5 CC(O)C(C)O SC-08971 [1,1,0,0,0,0|1,0,1]=4 468 B5R0.5 CC(O)C(C)O SC-08972 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.5 CC(O)C(C)O SC-81338 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.5 CC(S)C(=O)O SC-74563 [1,1,0,0,0,0|0,0,0]=2 471 B5R0.5 CN(C)C(=O)Cl SC-15201 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [1,1,0,0,0,0|0,0,0]=2 473 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [1,1,0,0,0,0|0,0,0]=2 474 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [1,1,0,0,0,0|0,0,0]=2 475 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [1,1,0,0,0,0|1,0,0]=3 476 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [1,1,0,0,0,0|1,0,0]=3 477 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [1,1,0,0,0,0|0,0,0]=2 478 B5R0.5 C[C@H](N)C(=O)O SC-09272 [1,1,0,0,0,0|0,0,0]=2 479 B5R0.5 C[C@H](N)C(N)=O SC-03542 [1,1,0,0,0,0|1,0,0]=3 480 B5R0.5 C[C@H](O)C(N)=O SC-73228 [1,1,0,0,0,0|1,0,0]=3 481 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [1,1,0,0,0,0|0,0,2]=4 482 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [1,1,0,0,0,0|1,0,0]=3 483 B5R0.5 O=C(O)C(F)Br SC-49620 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.5 O=C(O)C(F)F SC-25529 [1,1,0,0,0,0|1,0,0]=3 485 B5R0.5 O=C([O-])C(Cl)Cl SC-15953 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.5 [2H]C(=O)N(C)C SC-97589 [1,1,0,0,0,0|2,0,0]=4 487 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [1,1,0,0,0,0|0,0,0]=2 488 B5R0.2 C#CCCCN SC-48603 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.2 C#CCCCN SC-99931 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.2 C=CCCCBr SC-47340 [1,1,0,0,0,0|2,0,0]=4 491 B5R0.2 C=CCCCN SC-28944 [1,1,0,0,0,0|1,0,0]=3 492 B5R0.2 C=CCCCO SC-78424 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.2 C=COCCO SC-22660 [1,1,0,0,0,0|2,0,0]=4 494 B5R0.2 CC#CCC=O SC-89818 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.2 CCCCNN SC-68008 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.2 CNCCC#N SC-15494 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.2 CNCCCO SC-94106 [1,1,0,0,0,0|0,0,1]=3 498 B5R0.2 CNCCNC SC-19090 [1,1,0,0,0,0|2,0,0]=4 499 B5R0.2 CNCCOC SC-15056 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.2 CNCCSC SC-74374 [1,1,0,0,0,0|2,0,0]=4 501 B5R0.2 CNCCSC SC-83575 [1,1,0,0,0,0|2,0,0]=4 502 B5R0.2 COCCC=O SC-85357 [1,1,0,0,0,0|1,0,0]=3 503 B5R0.2 COCCCBr SC-20920 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.2 COCCNN SC-53129 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.2 COCCNN SC-70814 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.2 N#CCCNN SC-52269 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.2 NCCCCCl SC-14246 [1,1,0,0,0,0|1,0,1]=4 508 B5R0.2 NCCCCN SC-20919 [1,1,0,0,0,0|1,0,1]=4 509 B5R0.2 NCCCCO SC-48186 [1,1,0,0,0,0|0,0,1]=3 510 B5R0.2 O=C=NCCBr SC-82407 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.2 O=C=NCCCl SC-13627 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.2 O=CCCC=O SC-13455 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.2 O=CCCCBr SC-69595 [1,1,0,0,0,0|1,0,0]=3 514 B5R0.2 OCCCCBr SC-12645 [1,1,0,0,0,0|1,0,1]=4 515 B5R0.2 OCCCCCl SC-23109 [1,1,0,0,0,0|1,0,1]=4 516 B5R0.2 OC\C=C/CO SC-27134 [1,1,0,0,0,0|1,0,1]=4 517 B5R0.2 OC\C=C\CBr SC-36162 [1,1,0,0,0,0|1,0,1]=4 518 B5R0.2 OC\C=C\CO SC-82263 [1,1,0,0,0,0|1,0,1]=4 519 B5R0.2 [N-]=[N+]=NCCN SC-82113 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,2,0,0,0,0|1,0,0]=3 521 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,2,0,0,0,0|0,0,0]=2 522 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,2,0,0,0,0|2,0,0]=4 523 B7R0.2 COC(=O)CC(=O)Cl SC-16087 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.2 COC(=O)CC(=O)O SC-21351 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.2 COC(=O)CC(C)Br SC-67097 [0,2,0,0,0,0|1,0,0]=3 526 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [0,2,0,0,0,0|0,0,0]=2 527 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [0,2,0,0,0,0|0,0,0]=2 528 B7R0.2 COC(=O)C[N+](=O)[O-] SC-21869 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,2,0,0,0,0|0,0,0]=2 530 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,2,0,0,0,0|0,0,0]=2 531 B7R0.3 C#CCCC(=O)OC SC-92252 [0,2,0,0,0,0|1,0,0]=3 532 B7R0.3 C=CCOC(=O)OC SC-82329 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.3 CCCCC(=N)OC SC-91480 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.3 COC(=O)C#CCO SC-48272 [0,2,0,0,0,0|1,0,1]=4 535 B7R0.3 COC(=O)CCC=O SC-47529 [0,2,0,0,0,0|1,0,0]=3 536 B7R0.3 COC(=O)CCCCl SC-15079 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.3 COC(=O)CN=C=O SC-49023 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.3 COC(=O)CN=[N+]=[N-] SC-96313 [0,2,0,0,0,0|1,0,1]=4 539 B7R0.3 COC(=O)\C=C\CBr SC-17676 [0,2,0,0,0,0|1,0,1]=4 540 B7R0.3 COC(=O)\C=C\CBr SC-49570 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.3 COCCC(=O)OC SC-46379 [0,2,0,0,0,0|1,0,0]=3 542 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [0,2,0,0,0,0|0,0,1]=3 543 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,2,0,0,0,0|1,0,0]=3 544 B7R0.5 C=CCC(N)C(=O)O SC-10030 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,2,0,0,0,0|1,0,0]=3 548 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,2,0,0,0,0|1,0,0]=3 549 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,2,0,0,0,0|1,0,0]=3 551 B7R0.5 CCNC(=O)[C@H](C)O SC-12514 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.5 CCOC(=O)C(=O)O SC-26569 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.5 CCOC(=O)[C@@H](C)O SC-15791 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,2,0,0,0,0|1,0,0]=3 555 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,2,0,0,0,0|1,0,0]=3 558 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,2,0,0,0,0|0,0,0]=2 559 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,2,0,0,0,0|0,0,0]=2 560 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,2,0,0,0,0|0,0,0]=2 561 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,2,0,0,0,0|0,0,0]=2 562 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,2,0,0,0,0|0,0,0]=2 563 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,2,0,0,0,0|1,0,0]=3 564 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,2,0,0,0,0|1,0,0]=3 565 B7R0.7 CCOC(=O)CC#N SC-22643 [0,2,0,0,0,0|0,0,2]=4 566 B7R0.7 CCOC(=O)CC=O SC-14726 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.7 CCOC(=O)CCI SC-02730 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.7 CCOC(=O)CCN SC-83852 [0,2,0,0,0,0|0,0,0]=2 569 B7R0.7 CCOC(=O)CCO SC-43709 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.7 CCOC(=O)CCS SC-44443 [0,2,0,0,0,0|1,0,0]=3 571 B7R0.7 CCOC(=O)CNN SC-06315 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.7 CCOC(=O)OCC SC-25934 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.7 CCOC(=O)OCCl SC-35252 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.7 COCC(=O)COC SC-43684 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.7 O=C(CCCl)CCCl SC-03815 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.7 [C-]#[N+]CC(=O)OCC SC-03259 [0,2,0,0,0,0|2,0,0]=4 577 B7R0.10 C=C(CO)C(=O)OC SC-53992 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.10 CC(CN)[C@H](N)CO SC-54106 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [0,2,0,0,0,0|1,0,0]=3 581 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.10 CNC(C)C(=O)OC SC-82127 [0,2,0,0,0,0|2,0,0]=4 583 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [0,2,0,0,0,0|2,0,0]=4 584 B7R0.10 COC(=O)C(=O)CBr SC-15244 [0,2,0,0,0,0|1,0,1]=4 585 B7R0.10 COC(=O)C(Br)CO SC-87315 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.10 COC(=O)C(Br)SC SC-83274 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.10 COC(=O)C(C)CN SC-53925 [0,2,0,0,0,0|0,0,0]=2 588 B7R0.10 COC(=O)C(C)CO SC-08906 [0,2,0,0,0,0|1,0,0]=3 589 B7R0.10 COC(=O)C(C)CO SC-08907 [0,2,0,0,0,0|1,0,0]=3 590 B7R0.10 COC(=O)C(C)OC SC-92649 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.10 COC(=O)C(Cl)C=O SC-53173 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.10 COC(=O)C(Cl)CCl SC-48264 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.10 COC(=O)C(N)CO SC-09862 [0,2,0,0,0,0|1,0,0]=3 594 B7R0.10 COC(=O)C(N)CO SC-51728 [0,2,0,0,0,0|1,0,0]=3 595 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [0,2,0,0,0,0|1,0,0]=3 596 B7R0.10 COC(=O)[C@@H](N)CS SC-22400 [0,2,0,0,0,0|1,0,0]=3 597 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [0,2,0,0,0,0|1,0,0]=3 598 B7R0.10 COC(=O)[C@H](N)CCl SC-44813 [0,2,0,0,0,0|1,0,0]=3 599 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [0,2,0,0,0,0|1,0,0]=3 600 B7R0.10 COC(=O)[C@H](N)CS SC-95830 [0,2,0,0,0,0|1,0,0]=3 601 B7R0.11 CCS(=O)(=O)CCN SC-21495 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [0,2,0,0,0,0|2,0,0]=4 603 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,2,0,0,0,0|0,0,0]=2 604 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.9 O=C(O)CC(F)(F)F SC-19589 [0,2,0,0,0,0|1,0,0]=3 607 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,2,0,0,0,0|1,0,0]=3 612 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,2,0,0,0,0|1,0,0]=3 613 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,2,0,0,0,0|1,0,0]=3 614 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,2,0,0,0,0|2,0,0]=4 616 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,2,0,0,0,0|1,0,0]=3 617 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,2,0,0,0,0|1,0,0]=3 618 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,2,0,0,0,0|1,0,0]=3 619 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,2,0,0,0,0|1,0,0]=3 620 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.16 NC(=O)C(N)C(N)=O SC-47934 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,2,0,0,0,0|1,0,1]=4 623 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.13 C#CC(C)(C)C(=O)O SC-12019 [0,2,0,0,0,0|1,0,1]=4 625 B7R0.13 C=CC(C)(C)C(=O)O SC-72463 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.13 CC(C)(C#N)C(=O)O SC-65742 [0,2,0,0,0,0|0,0,2]=4 627 B7R0.13 CC(C)(CF)C(=O)O SC-91781 [0,2,0,0,0,0|1,0,0]=3 628 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [0,2,0,0,0,0|1,0,0]=3 629 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [0,2,0,0,0,0|1,0,0]=3 630 B7R0.13 COC(C)(C)C(=O)O SC-49777 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.13 C[C@@](N)(CS)C(=O)O SC-48129 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.14 CC(C)(O)[C@H](F)CN SC-91611 [0,2,0,0,0,0|1,0,1]=4 633 B7R0.15 CNC(CO)C(=O)O SC-26706 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [0,2,0,0,0,0|1,0,0]=3 635 B7R0.15 O=C(O)C(CF)CF SC-41163 [0,2,0,0,0,0|1,0,0]=3 636 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.4 C#CCCCC(=O)O SC-73017 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.4 C#CCNCC(=O)O SC-10418 [0,2,0,0,0,0|1,0,0]=3 639 B7R0.4 C#CCNCC(=O)O SC-10419 [0,2,0,0,0,0|1,0,0]=3 640 B7R0.4 C#CCNCC(=O)O SC-65650 [0,2,0,0,0,0|1,0,0]=3 641 B7R0.4 C=CCNCC(=O)O SC-74362 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.4 C=CCOCC(=O)O SC-49027 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.4 CCCC#CC(=O)O SC-96568 [0,2,0,0,0,0|1,0,0]=3 644 B7R0.4 CCCNCC(=O)O SC-97541 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.4 CCCSCC(=O)O SC-45283 [0,2,0,0,0,0|1,0,0]=3 646 B7R0.4 CCC\C=C\C(C)=O SC-49007 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.4 CCO\C=C\C(=O)O SC-89061 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.4 CNCCCC(=O)O SC-49793 [0,2,0,0,0,0|0,0,0]=2 649 B7R0.4 CNCCCC(=O)O SC-A2900 [0,2,0,0,0,0|0,0,0]=2 650 B7R0.4 COCCCC(=O)O SC-51378 [0,2,0,0,0,0|1,0,0]=3 651 B7R0.4 COCCNC(N)=O SC-62189 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.4 C\C=C\CCC(=O)O SC-21245 [0,2,0,0,0,0|1,0,0]=3 653 B7R0.4 NC(=O)CCCCBr SC-98143 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.4 NCCCCC(=O)O SC-10120 [0,2,0,0,0,0|0,0,0]=2 655 B7R0.4 NCCCCC(=O)O SC-92391 [0,2,0,0,0,0|0,0,0]=2 656 B7R0.4 NCCCCC(N)=O SC-94858 [0,2,0,0,0,0|1,0,0]=3 657 B7R0.4 NCCCCC(N)=O SC-A4262 [0,2,0,0,0,0|1,0,0]=3 658 B7R0.4 NCCNCC(=O)O SC-21750 [0,2,0,0,0,0|0,0,0]=2 659 B7R0.4 O=C(Cl)CCCCBr SC-13447 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.4 O=C(Cl)CCCCCl SC-16009 [0,2,0,0,0,0|2,0,0]=4 661 B7R0.4 O=C(O)CCCCBr SC-02338 [0,2,0,0,0,0|1,0,0]=3 662 B7R0.4 O=C([O-])COCCO SC-A2671 [0,2,0,0,0,0|1,0,1]=4 663 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,2,0,0,0,0|2,0,0]=4 664 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,2,0,0,0,0|2,0,0]=4 667 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,2,0,0,0,0|0,0,0]=2 668 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,2,0,0,0,0|0,0,0]=2 669 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,2,0,0,0,0|1,0,0]=3 671 B7R0.6 N=C(N)CCC(N)=O SC-97509 [0,2,0,0,0,0|1,0,0]=3 672 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,2,0,0,0,0|1,0,0]=3 673 B7R0.8 CNCCS(=O)(=O)O SC-99470 [0,2,0,0,0,0|1,0,0]=3 674 B7R0.8 NCCCS(=O)(=O)O SC-17979 [0,2,0,0,0,0|1,0,0]=3 675 B5R1.2 O=C1CCC1 SC-00523 [1,0,0,1,0,0|1,0,0]=3 676 B5R1.2 O=C1CCN1 SC-44172 [1,0,0,1,0,0|1,0,0]=3 677 B5R1.2 O=C1CNC1 SC-48283 [1,0,0,1,0,0|1,0,0]=3 678 B5R1.2 O=C1COC1 SC-21889 [1,0,0,1,0,0|2,0,0]=4 679 B5R1.2 OC1CNC1 SC-04637 [1,0,0,1,0,0|1,0,1]=4 680 B5R1.2 OC1CNC1 SC-19998 [1,0,0,1,0,0|1,0,1]=4 681 B5R1.3 CC[C@@H]1CO1 SC-52802 [1,0,0,1,0,0|1,0,1]=4 682 B5R1.1 C1=CCCC1 SC-18920 [1,0,0,1,0,0|2,0,0]=4 683 B5R1.1 C1=CNCC1 SC-88946 [1,0,0,1,0,0|1,0,0]=3 684 B5R1.1 C1CSCN1 SC-91699 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.1 COC1=NCCC1 SC-72634 [0,1,0,1,0,0|2,0,0]=4 686 B7R1.1 COC1CCNC1 SC-12454 [0,1,0,1,0,0|1,0,1]=4 687 B7R1.1 COC1CCNC1 SC-24177 [0,1,0,1,0,0|1,0,1]=4 688 B7R1.1 CO[C@@H]1CCNC1 SC-25526 [0,1,0,1,0,0|1,0,1]=4 689 B7R1.1 CO[C@@H]1CCNC1 SC-51990 [0,1,0,1,0,0|1,0,1]=4 690 B7R1.1 CO[C@H]1CCNC1 SC-25506 [0,1,0,1,0,0|1,0,1]=4 691 B7R1.1 O=CC1CCNC1 SC-85271 [0,1,0,1,0,0|1,0,1]=4 692 B7R1.1 OC[C@@H]1CCNC1 SC-48002 [0,1,0,1,0,0|1,0,1]=4 693 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,1,0,1,0,0|2,0,0]=4 695 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,1,0,1,0,0|2,0,0]=4 696 B7R1.2 CC1COC(=O)C1 SC-60836 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.2 CC1COC(=O)O1 SC-65189 [0,1,0,1,0,0|1,0,0]=3 698 B7R1.2 CN1CC[C@@H](O)C1 SC-49684 [0,1,0,1,0,0|1,0,1]=4 699 B7R1.2 CN1CC[C@H](O)C1 SC-23905 [0,1,0,1,0,0|1,0,1]=4 700 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,1,0,1,0,0|2,0,0]=4 701 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,1,0,1,0,0|1,0,0]=3 702 B7R1.2 NC1CCC(O)C1 SC-47773 [0,1,0,1,0,0|1,0,1]=4 703 B7R1.2 NC1CCC(O)C1 SC-47979 [0,1,0,1,0,0|1,0,1]=4 704 B7R1.2 NC1CCC(O)C1 SC-49660 [0,1,0,1,0,0|1,0,1]=4 705 B7R1.2 NC1CCC(O)C1 SC-51126 [0,1,0,1,0,0|1,0,1]=4 706 B7R1.2 NC1CCC(O)C1 SC-92977 [0,1,0,1,0,0|1,0,1]=4 707 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,1,0,1,0,0|1,0,0]=3 708 B7R1.2 NC1COC(=O)C1 SC-34183 [0,1,0,1,0,0|0,0,0]=2 709 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [0,1,0,1,0,0|1,0,1]=4 710 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [0,1,0,1,0,0|1,0,0]=3 711 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,1,0,1,0,0|0,0,0]=2 712 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [0,1,0,1,0,0|1,0,1]=4 713 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [0,1,0,1,0,0|1,0,1]=4 714 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [0,1,0,1,0,0|1,0,1]=4 715 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [0,1,0,1,0,0|1,0,1]=4 716 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,1,0,1,0,0|2,0,0]=4 717 B7R1.2 O=C1CCC(=O)C1 SC-15331 [0,1,0,1,0,0|2,0,0]=4 718 B7R1.2 O=C1CCC(=O)N1 SC-26697 [0,1,0,1,0,0|2,0,0]=4 719 B7R1.2 O=C1CNC(=O)C1 SC-88883 [0,1,0,1,0,0|1,0,1]=4 720 B7R1.2 O=C1CNC(=O)O1 SC-21301 [0,1,0,1,0,0|1,0,1]=4 721 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,1,0,1,0,0|1,0,1]=4 722 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,1,0,1,0,0|2,0,0]=4 723 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,1,0,1,0,0|2,0,0]=4 724 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,1,0,1,0,0|1,0,0]=3 725 B7R1.3 C=C1CCNCC1 SC-88353 [0,1,0,1,0,0|2,0,0]=4 726 B7R1.3 CC1=CCCNC1 SC-82898 [0,1,0,1,0,0|2,0,0]=4 727 B7R1.3 CC1=CCNCC1 SC-B8899 [0,1,0,1,0,0|2,0,0]=4 728 B7R1.3 O=C1C=CCCN1 SC-25185 [0,1,0,1,0,0|2,0,0]=4 729 B7R1.3 O=C1C=CCCO1 SC-50374 [0,1,0,1,0,0|1,0,1]=4 730 B7R1.3 O=C1CCCCN1 SC-16274 [0,1,0,1,0,0|2,0,0]=4 731 B7R1.3 O=C1CCCCO1 SC-65111 [0,1,0,1,0,0|1,0,0]=3 732 B7R1.3 O=C1CCCNC1 SC-29391 [0,1,0,1,0,0|1,0,0]=3 733 B7R1.3 O=C1CCCNC1 SC-48015 [0,1,0,1,0,0|1,0,0]=3 734 B7R1.3 O=C1CCCOC1 SC-14944 [0,1,0,1,0,0|1,0,0]=3 735 B7R1.3 O=C1CCNCC1 SC-04236 [0,1,0,1,0,0|1,0,0]=3 736 B7R1.3 O=C1CCNCC1 SC-04379 [0,1,0,1,0,0|1,0,0]=3 737 B7R1.3 O=C1CCNCC1 SC-19352 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.3 O=C1CCOCC1 SC-03251 [0,1,0,1,0,0|2,0,0]=4 739 B7R1.3 O=C1CCSCC1 SC-19697 [0,1,0,1,0,0|2,0,0]=4 740 B7R1.3 O=C1CNCCN1 SC-05365 [0,1,0,1,0,0|1,0,0]=3 741 B7R1.3 O=C1CNCCO1 SC-84883 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.3 O=C1COCCN1 SC-24222 [0,1,0,1,0,0|2,0,0]=4 743 B7R1.3 O=C1CSCCN1 SC-28581 [0,1,0,1,0,0|2,0,0]=4 744 B7R1.3 OC1=CN=NCC1 SC-89630 [0,1,0,1,0,0|1,0,1]=4 745 B7R1.3 OC1CCCNC1 SC-06262 [0,1,0,1,0,0|1,0,1]=4 746 B7R1.3 OC1CCCNC1 SC-47771 [0,1,0,1,0,0|1,0,1]=4 747 B7R1.3 OC1CCNCC1 SC-05165 [0,1,0,1,0,0|1,0,1]=4 748 B7R1.3 O[C@@H]1CCCNC1 SC-12564 [0,1,0,1,0,0|1,0,1]=4 749 B7R1.3 O[C@H]1CCCNC1 SC-19802 [0,1,0,1,0,0|1,0,1]=4 750 B7R1.4 C=C1CCOC1=O SC-19579 [0,1,0,1,0,0|1,0,1]=4 751 B7R1.4 CC1=CCCC1=O SC-15856 [0,1,0,1,0,0|2,0,0]=4 752 B7R1.4 CC1CCCC1=O SC-89605 [0,1,0,1,0,0|2,0,0]=4 753 B7R1.4 CC1CCNC1=O SC-21672 [0,1,0,1,0,0|1,0,1]=4 754 B7R1.4 CC1CCOC1=O SC-20996 [0,1,0,1,0,0|1,0,0]=3 755 B7R1.4 CN1CCNC1=O SC-89793 [0,1,0,1,0,0|2,0,0]=4 756 B7R1.4 NC1CCNC1=O SC-13910 [0,1,0,1,0,0|1,0,1]=4 757 B7R1.4 NC1CCNC1=O SC-53072 [0,1,0,1,0,0|1,0,1]=4 758 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,1,0,1,0,0|1,0,1]=4 759 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,1,0,1,0,0|1,0,1]=4 760 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,1,0,1,0,0|1,0,0]=3 761 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,1,0,1,0,0|1,0,1]=4 762 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,1,0,1,0,0|1,0,0]=3 763 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.4 O=C1CCCC1Cl SC-21538 [0,1,0,1,0,0|2,0,0]=4 765 B7R1.4 O=C1NCCC1O SC-26159 [0,1,0,1,0,0|0,0,1]=3 766 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,1,0,1,0,0|0,0,1]=3 767 B7R1.4 O=C1OCCC1Br SC-15437 [0,1,0,1,0,0|1,0,0]=3 768 B7R1.6 NCCC1COC1 SC-49992 [0,1,0,1,0,0|1,0,1]=4 769 B7R1.10 O=C1CC(CO)C1 SC-86648 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.22 COC(=O)C1CC1 SC-16131 [0,1,0,1,0,0|1,0,0]=3 771 B7R1.22 NNC(=O)C1CC1 SC-B6986 [0,1,0,1,0,0|2,0,0]=4 772 B7R1.22 N\C(=N/O)C1CC1 SC-23549 [0,1,0,1,0,0|2,0,0]=4 773 B7R1.22 O=C(CBr)C1CC1 SC-20322 [0,1,0,1,0,0|2,0,0]=4 774 B7R1.12 O=C(O)C1CC1F SC-85228 [0,1,0,1,0,0|1,0,0]=3 775 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,1,0,1,0,0|1,0,0]=3 776 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,1,0,1,0,0|1,0,0]=3 777 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,1,0,1,0,0|1,0,0]=3 778 B7R1.16 C[C@]1(O)C[C@@H](N)C1 SC-B8262 [0,1,0,1,0,0|1,0,1]=4 779 B7R1.16 C[C@]1(O)C[C@H](N)C1 SC-52968 [0,1,0,1,0,0|1,0,1]=4 780 B7R1.20 CC(=O)CC1CC1 SC-21396 [0,1,0,1,0,0|2,0,0]=4 781 B7R1.20 NC(=O)NC1CC1 SC-84633 [0,1,0,1,0,0|2,0,0]=4 782 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,1,0,1,0,0|1,0,0]=3 783 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,1,0,1,0,0|2,0,0]=4 784 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,1,0,1,0,0|1,0,0]=3 785 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,1,0,1,0,0|2,0,0]=4 786 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,1,0,1,0,0|1,0,0]=3 787 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,1,0,1,0,0|1,0,0]=3 788 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,1,0,1,0,0|0,0,0]=2 789 B7R1.19 CC(=O)C1(F)CC1 SC-83098 [0,1,0,1,0,0|2,0,0]=4 790 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [0,1,0,1,0,0|1,0,0]=3 791 B7R1.19 CC1(C(=O)O)CO1 SC-A2140 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [0,1,0,1,0,0|1,0,0]=3 793 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [0,1,0,1,0,0|1,0,0]=3 794 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [0,1,0,1,0,0|1,0,0]=3 795 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [0,1,0,1,0,0|1,0,0]=3 796 B7R1.14 CC1(O)CCNC1 SC-65706 [0,1,0,1,0,0|1,0,1]=4 797 B7R1.14 C[C@]1(O)CCNC1 SC-91785 [0,1,0,1,0,0|1,0,1]=4 798 B7R1.14 O=S1(=O)CCCN1 SC-82164 [0,1,0,1,0,0|1,0,1]=4 799 B7R1.14 O=S1(=O)CCCO1 SC-17901 [0,1,0,1,0,0|2,0,0]=4