0 B6R0.4 C=C(C)CCCBr SC-32900 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.4 C=C(C)CCCO SC-14313 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 C=CCNC(C)=O SC-48071 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 C=CNCC(=O)O SC-21370 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 CC(=O)NCCCl SC-49821 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 CC(=O)OCCO SC-95931 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.4 CC(Br)CCCBr SC-74609 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 CC(C)=CCCO SC-52391 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 CC(C)CCCO SC-67391 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CC(C)OCCN SC-47370 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 CCCCB(O)O SC-04512 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.4 CCCOC(=O)Cl SC-19101 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.4 COCCC(=N)N SC-40396 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 N#CCCC(=O)O SC-49854 [0,0,0,0,0,0|0,0,2]=2 14 B6R0.4 N=C(N)CCCBr SC-59652 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 N=C(N)CCCCl SC-55395 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 N=C(N)CCCO SC-70213 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.4 N=C(N)NCCO SC-60351 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 NC(=O)CCCO SC-12258 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.4 NCCCC(F)F SC-25475 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.4 O=C(Cl)OCCF SC-53156 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 O=C(O)CCCBr SC-02994 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.1 C=C(C)CCI SC-35692 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CC(=O)NCO SC-19774 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CC(Br)CCN SC-40141 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CC(N)CCN SC-66926 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CNCC(=O)[O-] SC-18610 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 COCC(=O)O SC-22928 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 COCC(C)=O SC-81373 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 COCC(C)=S SC-42217 [1,0,0,0,0,0|2,1,0]=4 30 B5R0.1 CSCC(=N)N SC-59669 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CSCC(N)=O SC-27108 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 C\C=C\C(=O)Cl SC-24539 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 N=C(N)CCBr SC-59651 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 N=C(N)CCCl SC-54448 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 N=C(N)CCCl SC-58529 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 N=C(N)CCN SC-69825 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 O=C(O)CCF SC-53145 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.2 BrCCCCBr SC-00339 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 C=CCCC#N SC-71297 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 C=CCCC=C SC-65418 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 C=CCCC=C SC-91437 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 C=COCCC SC-13613 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.2 CCCCNN SC-40662 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CCCCNN SC-41028 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CCNCCN SC-50818 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 CCOCCN SC-47824 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 CCSCCN SC-65401 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 COCCCO SC-01427 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CSCCCO SC-54096 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 NCCCCBr SC-39791 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.2 NCCCCF SC-25718 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.2 NC\C=C\CO SC-22303 [1,0,0,0,0,0|0,0,3]=4 53 B5R0.2 OCCCCCl SC-17604 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.2 CC(=O)OC(Br)CBr SC-14499 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.2 CCC(O)CC(C)O SC-95923 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.3 C=CC(=O)OCCO SC-18184 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.3 CCCCC(=O)NN SC-59745 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.3 CCOCC(=O)NN SC-59718 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.3 CC\C=C\C(=O)OC SC-62851 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.3 COC(=O)CCC#N SC-20469 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.3 COC(=O)CCCBr SC-46963 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.4 C#CCCOC(=O)Cl SC-53146 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.4 C#CCCOC(C)=O SC-50550 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.4 C=C(C)CCCCBr SC-31361 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.4 C=C(C)CCCCO SC-32201 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.4 C=CCOCC(=O)O SC-35140 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.4 CC(=O)NCCCN SC-51489 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.4 CCCCCC(C)O SC-81258 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.4 CCC\C=C\C(=O)O SC-39942 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.4 CCOCCC(=N)N SC-40468 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.4 N=C(N)CCCCCl SC-55396 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.4 O=C(O)CCCCCl SC-57902 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.5 C#CCC(N)C(=O)O SC-70414 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.5 C=CCC(N)C(=O)O SC-14116 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.5 COCC(N)C(=O)O SC-43930 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.5 NCCC(O)C(=O)O SC-16245 [0,1,0,0,0,0|0,0,0]=1 81 B7R0.5 OCC\C(Br)=C(\O)Br SC-19489 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.6 CC(=O)CCN(C)C SC-53808 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.6 CC(C)CCC(C)O SC-53086 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.6 O=C([O-])CCC(=O)[O-] SC-50216 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.8 CP(=O)(O)CCCN SC-51052 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.8 CS(=O)(=O)NCCN SC-50959 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.8 NCCCP(=O)(O)O SC-00767 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.8 NCCOP(=O)(O)O SC-13606 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.8 NS(=O)(=O)CCCF SC-32953 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.8 O=S(=O)(Cl)CCCCl SC-19659 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.8 O=S(=O)([O-])CCCBr SC-54086 [0,1,0,0,0,0|2,0,1]=4 94 B7R1.2 CC1CCC(=O)N1 SC-89347 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.2 CC1CCC(N)C1 SC-50487 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.2 CC1CNC(=O)N1 SC-65644 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.2 CC1CNC(=O)N1 SC-67475 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.2 CC1CSC(=O)S1 SC-51669 [0,0,0,1,0,0|2,1,0]=4 99 B7R1.2 CN1CC[C@H](N)C1 SC-66196 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [0,0,0,1,0,0|1,0,0]=2 105 B7R1.2 NC1CCC(O)C1 SC-45420 [0,0,0,1,0,0|1,0,1]=3 106 B7R1.2 NC1CNC(=O)C1 SC-68325 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.2 NN1CCC(O)C1 SC-29741 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.2 N[C@H]1CNC(=O)C1 SC-52716 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.2 O=C1C=CC(Cl)O1 SC-69817 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.2 O=C1OCC(F)O1 SC-19199 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.2 OC1CCC(O)C1 SC-66165 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.3 BrC1CCCNC1 SC-24227 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.3 OC1CCCNC1 SC-06015 [0,0,0,1,0,0|1,0,1]=3 116 B7R1.10 NC[C@H]1C[C@@H](O)C1 SC-52916 [0,0,0,1,0,0|1,0,1]=3 117 B7R1.10 O=C1CN(CCl)C1 SC-39185 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.12 CC1CC1C(=O)Cl SC-60998 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.12 CC1CC1C(=O)O SC-71058 [0,0,0,1,0,0|1,0,0]=2 120 B7R1.14 CC1(O)CCCC1 SC-26720 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.18 N=C(N)C1CCC1 SC-12460 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.18 O=C(O)C1CCN1 SC-53260 [0,0,0,1,0,0|0,0,0]=1 123 B7R1.20 N=C(N)CC1CC1 SC-40484 [0,0,0,1,0,0|3,0,0]=4 124 B4R0.1 CC(=O)NN SC-16358 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.1 CCC(=N)N SC-39291 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 COC(=O)[O-] SC-65186 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 COC(N)=O SC-46315 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 N=C(N)CN SC-58417 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.1 NCC(=O)O SC-26815 [2,0,0,0,0,0|0,0,0]=2 130 B4R0.1 O=C(Cl)CCl SC-18214 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 O=C(O)CO SC-85771 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.1 O=C([O-])CBr SC-50549 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.1 O=C([O-])CO SC-89096 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.2 C=CCCBr SC-17888 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.2 C=CCNN SC-54870 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.2 C=CCOC SC-62245 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.2 CCCNN SC-66226 [2,0,0,0,0,0|1,0,1]=4 138 B4R0.2 CCCNN SC-88572 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.2 CCCSC SC-88233 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.2 CCOC=N SC-52423 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.2 CNCCO SC-26626 [2,0,0,0,0,0|1,0,1]=4 142 B4R0.2 CSCCN SC-40144 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.2 FCCCF SC-62358 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.2 NCCCCl SC-40009 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.2 NCCCF SC-48630 [2,0,0,0,0,0|1,0,0]=3 146 B4R0.2 NCCCN SC-16220 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.1 C=CC(=O)OCC SC-19398 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.1 CCCC(O)CN SC-35839 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.1 CCCC(O)CO SC-65083 [1,1,0,0,0,0|0,0,2]=4 150 B6R0.1 COC(=O)CC#N SC-19134 [1,1,0,0,0,0|0,0,2]=4 151 B6R0.1 COC(=O)CCCl SC-19880 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.1 COC\C(N)=N\O SC-29295 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.2 C=C(C)CC(=O)O SC-31698 [1,1,0,0,0,0|0,0,1]=3 154 B6R0.2 CC(=O)CC(C)=O SC-68118 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.2 CC(C)CC(=N)N SC-40541 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [1,1,0,0,0,0|0,0,1]=3 157 B6R0.2 CN(C)CC(=O)O SC-09555 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.2 CN(C)CC(=O)O SC-51828 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.2 C[C@H](O)C[C@H](C)O SC-06528 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.2 NC(=O)CC(N)=O SC-47182 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.2 O=C(O)CC(=O)O SC-77641 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [1,1,0,0,0,0|0,0,0]=2 163 B6R0.3 C=CC(N)C(=O)O SC-83691 [1,1,0,0,0,0|0,0,2]=4 164 B6R0.3 CCC(C)C(=N)N SC-40567 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.3 CCC(C)C(=O)O SC-22738 [1,1,0,0,0,0|0,0,0]=2 166 B6R0.3 CCC(Cl)C(=O)O SC-96228 [1,1,0,0,0,0|0,0,0]=2 167 B6R0.3 CCC(O)C(=N)N SC-41904 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.3 CCC(O)C(=O)O SC-88990 [1,1,0,0,0,0|0,0,0]=2 169 B6R0.3 CCN(C)C(=O)Cl SC-18616 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.3 CC[C@@H](Cl)C(=O)O SC-52915 [1,1,0,0,0,0|0,0,0]=2 171 B6R0.3 NC(=O)C(N)CO SC-53653 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.3 NC[C@H](N)C(=O)O SC-10204 [1,1,0,0,0,0|0,0,0]=2 173 B6R0.3 N[C@@H](CCl)C(=O)O SC-21241 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.3 N[C@@H](CS)C(=O)O SC-09429 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.3 [C@H](O)(CN)C(=O)O SC-18368 [1,1,0,0,0,0|0,0,0]=2 176 B6R0.5 CCCS(=O)(=O)Cl SC-26826 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.5 NCCS(=O)(=O)O SC-19115 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.5 NCCS(N)(=O)=O SC-84191 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.6 C=CCCCC=O SC-34117 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.6 C=CCCCCN SC-34878 [1,1,0,0,0,0|1,0,0]=3 181 B6R0.6 C=CCCCCO SC-44461 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.6 C=CCCCC[Zn+] SC-89392 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.6 C=CCOCCI SC-50512 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.6 C=CCOCCO SC-25613 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.6 CCCCCCO SC-22734 [1,1,0,0,0,0|1,0,1]=4 186 B6R0.6 CCCNCCO SC-20196 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.6 CCOCCCN SC-74768 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.6 COCCCC=O SC-88270 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.6 N#CCCCCO SC-14232 [1,1,0,0,0,0|0,0,2]=4 190 B6R0.6 N#CCOCCN SC-51422 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.6 NCCNCCN SC-79061 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.6 NCCOCCCl SC-88571 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.6 NCCSCCO SC-77966 [1,1,0,0,0,0|0,0,1]=3 194 B6R0.6 O=C=NCCCCl SC-77667 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.6 OCCOCCCl SC-25834 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.2 CCC(C)C(N)C(=O)O SC-09608 [0,2,0,0,0,0|1,0,0]=3 197 B8R0.2 [C@H](C)(CC)[C@@H](N)C(=O)O SC-09606 [0,2,0,0,0,0|1,0,0]=3 198 B8R0.19 COC(=O)CC(O)CN SC-35083 [0,2,0,0,0,0|0,0,0]=2 199 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,2,0,0,0,0|1,0,0]=3 200 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,2,0,0,0,0|1,0,0]=3 201 B8R0.23 CN(CC(=O)O)C(=N)N SC-46919 [0,2,0,0,0,0|1,0,1]=4 202 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-05405 [0,2,0,0,0,0|0,0,1]=3 203 B8R0.23 NC(=O)NC(O)C(=O)O SC-49973 [0,2,0,0,0,0|1,0,1]=4 204 B8R0.23 NC(CC(=O)O)C(=O)[O-] SC-20735 [0,2,0,0,0,0|1,0,1]=4 205 B8R0.23 NC(CC(F)F)C(=O)O SC-48857 [0,2,0,0,0,0|1,0,0]=3 206 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-15827 [0,2,0,0,0,0|1,0,1]=4 207 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-19578 [0,2,0,0,0,0|1,0,1]=4 208 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-65201 [0,2,0,0,0,0|1,0,1]=4 209 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [0,2,0,0,0,0|1,0,1]=4 210 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [0,2,0,0,0,0|1,0,1]=4 211 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O SC-04187 [0,2,0,0,0,0|1,0,1]=4 212 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SC-26843 [0,2,0,0,0,0|1,0,1]=4 213 B8R0.1 CCOC(=N)CCCBr SC-59653 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.1 CCOC(=N)CCCCl SC-39521 [0,2,0,0,0,0|2,0,0]=4 215 B8R0.1 CCOC(=N)CCCO SC-65481 [0,2,0,0,0,0|2,0,0]=4 216 B8R0.1 CCOC(=O)CCCBr SC-03228 [0,2,0,0,0,0|1,0,0]=3 217 B8R0.1 CCOC(=O)\C=C\CN SC-83092 [0,2,0,0,0,0|0,0,2]=4 218 B8R0.1 CCOCC(=O)OCC SC-15789 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.3 C#CCC(N)C(=O)OC SC-32576 [0,2,0,0,0,0|1,0,1]=4 220 B8R0.3 C=CC[C@@H](N)C(=O)OC SC-69286 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.3 C=CC[C@@H](O)C(=O)OC SC-14276 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.3 C=CC[C@H](O)C(=O)OC SC-14277 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.6 CNCCCC(=O)NC SC-51967 [0,2,0,0,0,0|1,0,0]=3 224 B8R0.8 CCCCC(Br)C(=O)Cl SC-66293 [0,2,0,0,0,0|2,0,0]=4 225 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [0,2,0,0,0,0|2,0,0]=4 226 B8R0.8 CCOC[C@H](N)C(=O)O SC-68756 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.8 COCC[C@@H](N)C(=O)O SC-49310 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.8 CSCC[C@H](N)C(=O)O SC-09744 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.8 NCCC[C@H](N)C(=O)O SC-10386 [0,2,0,0,0,0|0,0,0]=2 230 B8R0.9 CC(C)CCC(=O)NN SC-59735 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.9 COC(=O)CCC(N)=O SC-88449 [0,2,0,0,0,0|0,0,1]=3 232 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,2,0,0,0,0|0,0,0]=2 233 B8R0.9 NCC(=O)NCC(=O)O SC-17448 [0,2,0,0,0,0|0,0,1]=3 234 B8R0.25 CC(C)(CO)CCCN SC-54576 [0,2,0,0,0,0|1,0,1]=4 235 B8R0.25 CCCCP(=O)(Cl)OC SC-51926 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.7 C=CCCOCC(=O)O SC-35006 [0,2,0,0,0,0|1,0,0]=3 237 B8R0.7 CCCCCOC(=O)Cl SC-18359 [0,2,0,0,0,0|2,0,0]=4 238 B8R0.7 CCOCCOC(=O)Cl SC-51564 [0,2,0,0,0,0|2,0,0]=4 239 B8R0.7 COCCCOC(C)=O SC-26578 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.7 COCOCCC(=O)O SC-50551 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.7 CSCC\C=C\C(=O)O SC-39251 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.28 CN(C)CCCC(=N)N SC-42054 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.28 N=C(N)NCCC(=O)O SC-46005 [0,2,0,0,0,0|0,0,1]=3 245 B8R0.28 NC(=O)CCCC(N)=O SC-87623 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.28 O=C(O)CCCC(=O)O SC-16305 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.28 O=C(O)CSCC(=O)O SC-19008 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.15 C=CC[C@@H](C=C)C(=O)O SC-31533 [0,2,0,0,0,0|1,0,1]=4 249 B8R0.15 C=CC[C@H](C=C)C(=O)O SC-31581 [0,2,0,0,0,0|1,0,1]=4 250 B8R0.15 C=C[C@@H](CCC)C(=O)O SC-31733 [0,2,0,0,0,0|1,0,0]=3 251 B8R0.15 C=C[C@H](CCC)C(=O)O SC-32017 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.29 CC(F)(F)CCC(=O)O SC-34612 [0,2,0,0,0,0|1,0,0]=3 253 B6R1.2 O=C1CCON1 SC-95997 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.2 O=C1CCSC1 SC-00014 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.2 O=C1OCCO1 SC-46725 [1,0,0,1,0,0|1,0,0]=3 256 B6R1.5 N[C@H]1C[C@@H](O)C1 SC-51721 [1,0,0,1,0,0|1,0,1]=4 257 B6R1.11 CC(=O)C1CO1 SC-70647 [1,0,0,1,0,0|2,0,0]=4 258 B6R1.11 CC(=S)C1CC1 SC-42755 [1,0,0,1,0,0|1,1,0]=4 259 B6R1.11 O=C(O)C1CS1 SC-70775 [1,0,0,1,0,0|1,0,0]=3 260 B6R1.6 ICC1CCO1 SC-48435 [1,0,0,1,0,0|1,0,1]=4 261 B6R1.6 OC[C@H]1CCN1 SC-66733 [1,0,0,1,0,0|0,0,1]=3 262 B8R1.1 O=C1CC=C(CO)O1 SC-52407 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.1 O=C1NC[C@H](CCl)O1 SC-73276 [0,1,0,1,0,0|1,0,0]=3 264 B8R1.1 O=C1N[C@H](CO)CO1 SC-33358 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.4 C[C@H]1CCCC(=O)N1 SC-51761 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.4 NN1CCCC(O)C1 SC-14797 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.4 N[C@H]1CCC[C@H](O)C1 SC-43596 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.34 CC(=O)NC1CNC1 SC-48410 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.34 O=C(O)C=C1CCC1 SC-67620 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.51 NC1CCS(=O)(=O)C1 SC-49078 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.2 O=CC1=CCCCC1 SC-49393 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.2 ON=C1CCCCC1 SC-76798 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.3 CC1CCC(=O)CC1 SC-27685 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.3 O=C1CC[C@@H](O)CN1 SC-69872 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.3 O=C1CC[C@H](O)CN1 SC-69873 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.5 CC1CCCNC1=O SC-53234 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.5 CN1CCCCC1=O SC-A3437 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.5 NC1CCCCC1=O SC-45445 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.5 NC1CCONC1=O SC-25333 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.5 NN1CCCCC1=O SC-21321 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.22 O=C1C=CCCCN1 SC-50475 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.38 COC(=O)C1CCN1 SC-65847 [0,1,0,1,0,0|0,0,0]=2 283 B8R1.38 NNC(=O)C1CCC1 SC-41814 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.38 N\C(=N/O)C1CCC1 SC-29588 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.50 O=C1OCC(O)C1O SC-01371 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.6 COCC1CC(=O)C1 SC-65908 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.6 NCCN1CC(=O)C1 SC-39286 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.6 NCCN1CC(O)C1 SC-39557 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.6 O=C1CN(CCCl)C1 SC-39600 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.7 CC(=O)C1CCCC1 SC-34558 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [0,1,0,1,0,0|1,0,0]=3 292 B8R1.7 O=C(Cl)C1=CCCC1 SC-61003 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.7 O=C(Cl)C1CCOC1 SC-45575 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.7 O=C(O)C1C=CCN1 SC-50874 [0,1,0,1,0,0|0,0,1]=3 295 B8R1.7 O=C(O)[C@@H]1C=CCN1 SC-21522 [0,1,0,1,0,0|0,0,1]=3 296 B8R1.7 O=C(O)[C@H]1C=CCN1 SC-52280 [0,1,0,1,0,0|0,0,1]=3 297 B8R1.7 O=C(O)[C@H]1CCOC1 SC-25181 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.7 OC(=S)[C@H]1CCCO1 SC-28168 [0,1,0,1,0,0|1,1,0]=4 299 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.35 CC(=O)OCC1CO1 SC-74435 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.35 O=C(O)\C=C\C1CC1 SC-39438 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,1,0,1,0,0|0,0,0]=2 303 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [0,1,0,1,0,0|0,0,1]=3 305 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [0,1,0,1,0,0|0,0,1]=3 306 B8R1.77 [C@H]1(C(N)=O)CC1(C)C SC-06657 [0,1,0,1,0,0|2,0,0]=4