0 B6R0.1 C=CC(=O)OCC SC-19398 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCC(O)COC SC-95930 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCCC(Br)CC SC-87780 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCCC(C)NN SC-38965 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 CCCC(O)CN SC-35839 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCCC(O)CO SC-65083 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.1 CCNC(C)CN SC-29669 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CC[C@@H](N)COC SC-48788 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CC[C@H](N)COC SC-48789 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CN(CO)CCO SC-42099 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 CSCC(C)NN SC-14209 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 CSCC(N)CO SC-69757 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 C=C(C)CCI SC-35692 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 C=CCC(C)O SC-49226 [1,0,0,0,0,0|0,0,3]=4 14 B5R0.1 CC(=O)NCO SC-19774 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CC(Br)CCN SC-40141 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CC(N)CCN SC-66926 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CNCC(=O)[O-] SC-18610 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNCC(C)N SC-66085 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 COCC(=O)O SC-22928 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 COCC(C)=O SC-81373 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 COCC(C)=S SC-42217 [1,0,0,0,0,0|1,1,1]=4 22 B5R0.1 COC[C@H](C)N SC-43750 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 COC[C@H](C)N SC-51779 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CSCC(N)=O SC-27108 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 O=C(O)CCF SC-53145 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 BrCCCCBr SC-00339 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 C=CCCC#N SC-71297 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 C=CCCC=C SC-65418 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.2 C=CCCC=C SC-91437 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.2 C=COCCC SC-13613 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.2 CCCCNN SC-40662 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.2 CCCCNN SC-41028 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.2 CCCN=C=S SC-74675 [1,0,0,0,0,0|1,1,1]=4 34 B5R0.2 CCCNCC SC-02236 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 CCNCCN SC-50818 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 CCOCCN SC-47824 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 CCSCCBr SC-16797 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 CCSCCN SC-65401 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 COCCCO SC-01427 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 CSCCCO SC-54096 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.2 C\C=C/OCC SC-15783 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 NCCCCBr SC-39791 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 NCCCCF SC-25718 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 OCCCCCl SC-17604 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.3 C=CC(O)CBr SC-69913 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.3 CC(CCl)CBr SC-62287 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.3 CC(CN)CCl SC-40011 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.3 CC(CN)CN SC-50225 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.3 CC(CO)CO SC-20510 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.3 CCC(C)CBr SC-79299 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.3 CCC(O)CN SC-40219 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.3 CCC(O)OC SC-25588 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.3 COC(C)CO SC-97662 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.3 O=CC(O)CO SC-54496 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.2 CC(C)CC(C)NN SC-38647 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 CC(CCl)CN(C)C SC-49474 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.2 CC(CO)CN(C)C SC-49500 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.2 CCC(O)CC(C)O SC-95923 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.3 C=CCCC(C)CC SC-69778 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.3 CSCCC(C)NN SC-38760 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.3 CSCC[C@H](N)CO SC-08986 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.5 C#CCC(N)C(=O)O SC-70414 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.5 C=CCC(N)C(=O)O SC-14116 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [0,1,0,0,0,0|0,0,0]=1 65 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [0,1,0,0,0,0|0,0,0]=1 66 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.5 CCOC(=O)C(N)=O SC-20979 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [0,1,0,0,0,0|0,0,2]=3 69 B7R0.5 COCC(N)C(=O)O SC-43930 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.5 NCCC(O)C(=O)O SC-16245 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.7 CCCC(C)CNN SC-42603 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.7 CCCC(O)CCO SC-51686 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.7 CCCN(C)CCC SC-85868 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.7 COCC(C)COC SC-66246 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.10 CCC(C)C(C)NN SC-38614 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.11 COCC(C)(C)CN SC-49388 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.12 CCNC(CC)CN SC-29936 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.12 COC(CCN)OC SC-40178 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.1 CNC1CCOC1 SC-14941 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.1 CN[C@H]1CCNC1 SC-08954 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.1 COC1CCCC1 SC-82890 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.1 CO[C@H]1CCNC1 SC-51991 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.1 ClCC1CCCC1 SC-52756 [0,0,0,1,0,0|1,0,1]=3 84 B7R1.1 ICC1CCCC1 SC-19498 [0,0,0,1,0,0|1,0,1]=3 85 B7R1.1 NCC1CCOC1 SC-35383 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.1 NNC1CCSC1 SC-59920 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.1 OCC1CCNC1 SC-19805 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.1 OC[C@@H]1CCCO1 SC-68774 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.2 CC1CCC(N)C1 SC-50487 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 CC1CNC(C)C1 SC-69891 [0,0,0,1,0,0|1,0,1]=3 91 B7R1.2 C[C@@H]1C[C@H](O)CN1 SC-51782 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.3 BrC1CCCNC1 SC-24227 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 CC1CNCCN1 SC-46321 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.3 CC1OCCCO1 SC-49961 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.3 C[C@@H]1CCCCN1 SC-66098 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.3 C[C@@H]1CNCCN1 SC-16922 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.3 C[C@@H]1COCCN1 SC-53986 [0,0,0,1,0,0|1,0,2]=4 98 B7R1.3 OC1CCCNC1 SC-06015 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.4 BrC1=C(Br)CCC1 SC-19501 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.4 CC1CCCC1=S SC-42934 [0,0,0,1,0,0|0,1,0]=2 101 B7R1.4 CC1CCCC1N SC-71052 [0,0,0,1,0,0|1,0,1]=3 102 B7R1.4 CC1OCCC1=O SC-03396 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.4 CC1SCCC1=S SC-42506 [0,0,0,1,0,0|1,1,0]=3 104 B7R1.4 NC1CCCC1N SC-66238 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.4 NC1CCNC1=O SC-48795 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.4 NC1CCNC1=O SC-51089 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.4 NC1CONC1=O SC-11124 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.4 N[C@@H]1CCC[C@@H]1O SC-27358 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.4 N[C@H]1CCOC1=O SC-51606 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.4 O=C1CCC=C1Br SC-49478 [0,0,0,1,0,0|1,0,2]=4 111 B7R1.4 O=C1NCC[C@@H]1O SC-21960 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.4 O=C1OCC[C@H]1O SC-08904 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.4 S=C1CCCC1Cl SC-42320 [0,0,0,1,0,0|1,1,0]=3 114 B7R1.4 [C@H]1(N)CCC[C@@H]1O SC-20046 [0,0,0,1,0,0|1,0,2]=4 115 B7R1.6 CCNC1CNC1 SC-70012 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.6 COCC1CNC1 SC-89956 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.10 NC1CC(CO)C1 SC-88222 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.10 NC[C@H]1C[C@@H](O)C1 SC-52916 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.10 OCC1CC(F)C1 SC-25285 [0,0,0,1,0,0|1,0,2]=4 120 B7R1.22 CC(NN)C1CC1 SC-39260 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.22 NCC(O)C1CC1 SC-35505 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.25 CC1(CO)CNC1 SC-67286 [0,0,0,1,0,0|1,0,2]=4 123 B4R0.1 C#CC(C)C SC-83017 [2,0,0,0,0,0|1,0,1]=4 124 B4R0.1 CC(C)CBr SC-16381 [2,0,0,0,0,0|1,0,1]=4 125 B4R0.1 CC(Cl)CN SC-40273 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 CCN(C)C SC-05626 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 C[C@@H](Cl)CO SC-70277 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.2 C=CCCBr SC-17888 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.2 C=CCOC SC-62245 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.2 CCCNN SC-66226 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.2 CCCNN SC-88572 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.2 CCCSC SC-88233 [2,0,0,0,0,0|1,0,0]=3 133 B4R0.2 CCNCC SC-25726 [2,0,0,0,0,0|1,0,0]=3 134 B4R0.2 CCOC=N SC-52423 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.2 CC[NH2+]CC SC-20006 [2,0,0,0,0,0|1,0,0]=3 136 B4R0.2 CNCCO SC-26626 [2,0,0,0,0,0|1,0,1]=4 137 B4R0.2 COCC[O-] SC-67452 [2,0,0,0,0,0|1,0,1]=4 138 B4R0.2 CSCCN SC-40144 [2,0,0,0,0,0|2,0,0]=4 139 B4R0.2 C[SH+]CCCl SC-53966 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.2 FCCCF SC-62358 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.2 NCCCCl SC-40009 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.2 NCCCF SC-48630 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.2 NCCCN SC-16220 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.2 CC(=O)CC(C)=O SC-68118 [1,1,0,0,0,0|0,0,2]=4 145 B6R0.2 CC(C)CC(C)Br SC-26522 [1,1,0,0,0,0|0,0,1]=3 146 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.2 C[C@H](O)C[C@H](C)O SC-06528 [1,1,0,0,0,0|0,0,1]=3 148 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.3 CCC(=O)C(C)Br SC-52663 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.3 CCC(C)C(=O)O SC-22738 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.3 CCC(Cl)C(=O)O SC-96228 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.3 CCC(O)C(=O)O SC-88990 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.3 CC[C@@H](Cl)C(=O)O SC-52915 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.3 C[C@H](O)[C@@H](N)CO SC-54023 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.4 C=C(C)CCCBr SC-32900 [1,1,0,0,0,0|0,0,1]=3 156 B6R0.4 C=C(C)CCCO SC-14313 [1,1,0,0,0,0|0,0,1]=3 157 B6R0.4 CC(=O)NCCCl SC-49821 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.4 CC(=O)OCCO SC-95931 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.4 CC(Br)CCCBr SC-74609 [1,1,0,0,0,0|1,0,0]=3 160 B6R0.4 CC(C)CCCO SC-67391 [1,1,0,0,0,0|0,0,1]=3 161 B6R0.4 CC(C)OCCN SC-47370 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.4 CCCNC(C)C SC-50047 [1,1,0,0,0,0|0,0,1]=3 163 B6R0.4 CCCOC(=O)Cl SC-19101 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.4 NC(=O)CCCO SC-12258 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.4 NCCCC(F)F SC-25475 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.4 O=C(O)CCCBr SC-02994 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.5 CC(C)(C)CCBr SC-47082 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.5 CC(C)(C)CCO SC-05864 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.5 CCCS(=O)(=O)Cl SC-26826 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.5 COCC(C)(C)O SC-48938 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.5 CSCC(C)(C)N SC-50334 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.6 C=CCCCC=O SC-34117 [1,1,0,0,0,0|0,0,1]=3 173 B6R0.6 C=CCCCCN SC-34878 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.6 C=CCCCCO SC-44461 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.6 C=CCCCC[Zn+] SC-89392 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.6 C=CCOCCI SC-50512 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.6 C=CCOCCO SC-25613 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.6 CCCCCCO SC-22734 [1,1,0,0,0,0|0,0,2]=4 179 B6R0.6 CCCCNCC SC-47234 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.6 CCCNCCO SC-20196 [1,1,0,0,0,0|0,0,2]=4 181 B6R0.6 CCOCCCN SC-74768 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.6 COCCCC=O SC-88270 [1,1,0,0,0,0|0,0,0]=2 183 B6R0.6 ClCCCCCBr SC-26019 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.6 N#CCCCCBr SC-13250 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.6 N#CCCCCO SC-14232 [1,1,0,0,0,0|1,0,1]=4 186 B6R0.6 O=C=NCCCCl SC-77667 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.8 CCC(C)(C)NC SC-88210 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.9 CCC(CC)CI SC-66031 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.9 CCC(CC)CN SC-77976 [1,1,0,0,0,0|1,0,1]=4 190 B6R0.9 CCC(CC)NN SC-38843 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.9 CCC(CN)OC SC-48021 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.2 CCC(C)C(N)C(=O)O SC-09608 [0,2,0,0,0,0|1,0,0]=3 193 B8R0.2 [C@H](C)(CC)[C@@H](N)C(=O)O SC-09606 [0,2,0,0,0,0|1,0,0]=3 194 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SC-09273 [0,2,0,0,0,0|1,0,1]=4 195 B8R0.23 CC(C)CC(=O)C(=O)[O-] SC-19264 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,2,0,0,0,0|1,0,0]=3 197 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,2,0,0,0,0|1,0,0]=3 198 B8R0.23 NC(CC(F)F)C(=O)O SC-48857 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [0,2,0,0,0,0|1,0,1]=4 200 B8R0.24 CC(CC(C)(C)C)NN SC-39160 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO SC-11369 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.6 C=CC(O)CCCCC SC-18002 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.6 C=CCCC[C@@H](C)CO SC-31639 [0,2,0,0,0,0|0,0,2]=4 204 B8R0.6 C=CCCC[C@H](C)CO SC-31524 [0,2,0,0,0,0|0,0,2]=4 205 B8R0.8 CCCCC(Br)C(=O)Cl SC-66293 [0,2,0,0,0,0|1,0,0]=3 206 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [0,2,0,0,0,0|0,0,0]=2 207 B8R0.8 CCOC[C@H](N)C(=O)O SC-68756 [0,2,0,0,0,0|1,0,0]=3 208 B8R0.8 COCC[C@@H](N)C(=O)O SC-49310 [0,2,0,0,0,0|1,0,0]=3 209 B8R0.8 CSCC[C@H](N)C(=O)O SC-09744 [0,2,0,0,0,0|1,0,0]=3 210 B8R0.8 NCCC[C@H](N)C(=O)O SC-10386 [0,2,0,0,0,0|1,0,0]=3 211 B8R0.9 CC(C)CCC(C)NN SC-39161 [0,2,0,0,0,0|2,0,0]=4 212 B8R0.11 CCCCC(CC)CCl SC-62316 [0,2,0,0,0,0|1,0,1]=4 213 B8R0.25 CC(C)(CO)CCCN SC-54576 [0,2,0,0,0,0|0,0,2]=4 214 B8R0.25 CCC(C)(C)CCCO SC-43802 [0,2,0,0,0,0|1,0,1]=4 215 B8R0.15 C=C[C@@H](CCC)C(=O)O SC-31733 [0,2,0,0,0,0|0,0,1]=3 216 B8R0.15 C=C[C@H](CCC)C(=O)O SC-32017 [0,2,0,0,0,0|0,0,1]=3 217 B8R0.15 CCCC(NN)C(C)C SC-39059 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.22 C=CC(OCC)OCC SC-18701 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.22 CCCC(CC)CNN SC-39015 [0,2,0,0,0,0|1,0,1]=4 220 B8R0.13 CCC(=O)C(C)(C)C=O SC-30639 [0,2,0,0,0,0|0,0,1]=3 221 B8R0.31 CCCC(C)(CO)CO SC-18220 [0,2,0,0,0,0|0,0,2]=4 222 B6R1.2 CC1CCOC1 SC-48311 [1,0,0,1,0,0|1,0,1]=4 223 B6R1.2 ClC1CCOC1 SC-47840 [1,0,0,1,0,0|2,0,0]=4 224 B6R1.2 NC1CCCC1 SC-26627 [1,0,0,1,0,0|1,0,0]=3 225 B6R1.2 O=C1CCSC1 SC-00014 [1,0,0,1,0,0|1,0,1]=4 226 B6R1.2 OC1CCSC1 SC-53391 [1,0,0,1,0,0|1,0,1]=4 227 B6R1.2 [C@@H]1(N)CCNC1 SC-00475 [1,0,0,1,0,0|2,0,0]=4 228 B6R1.2 [C@@H]1(N)CCNC1 SC-00476 [1,0,0,1,0,0|2,0,0]=4 229 B6R1.3 CCNC1CC1 SC-34607 [1,0,0,1,0,0|1,0,1]=4 230 B6R1.5 N[C@H]1C[C@@H](O)C1 SC-51721 [1,0,0,1,0,0|1,0,1]=4 231 B6R1.10 CC1(C)CCN1 SC-70092 [1,0,0,1,0,0|1,0,1]=4 232 B6R1.10 CC1(O)CNC1 SC-96329 [1,0,0,1,0,0|1,0,1]=4 233 B6R1.11 CC(=O)C1CO1 SC-70647 [1,0,0,1,0,0|1,0,1]=4 234 B6R1.11 CC(=S)C1CC1 SC-42755 [1,0,0,1,0,0|0,1,1]=4 235 B6R1.7 CC1(CCl)CC1 SC-48356 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.1 CC1CCC(NN)C1 SC-41314 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.1 CC1CCC(NN)C1 SC-41791 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.1 CNC1CCN(C)C1 SC-46028 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 SC-86770 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.4 CC1CCCC(N)C1 SC-22240 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.4 C[C@H]1CCCC(=O)N1 SC-51761 [0,1,0,1,0,0|0,0,0]=2 242 B8R1.4 C[C@H]1CCC[C@@H](C)N1 SC-16095 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.2 BrCC1=CCCCC1 SC-87733 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.2 BrCC1CCCNC1 SC-49285 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.2 CCC1CCCCN1 SC-45892 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.2 CCC1CCNCC1 SC-61435 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.2 CCC1CCNCC1 SC-61436 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.2 COC1CCCCO1 SC-22226 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.2 COC1CCNCC1 SC-11767 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.2 CSC1CCOCC1 SC-72642 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.2 ClCC1CCCCN1 SC-24603 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.2 ClCC1CCCCN1 SC-84984 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.2 N#CC1CCCNC1 SC-26961 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.2 NC[C@H]1CCCNC1 SC-69050 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.2 NNC1CCNCC1 SC-60004 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.2 NNC1CCOCC1 SC-66150 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.2 NNC1CCSCC1 SC-39027 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.2 NOC1CCCCO1 SC-20198 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.2 O=CC1=CCCCC1 SC-49393 [0,1,0,1,0,0|0,0,1]=3 260 B8R1.2 O=CC1CCCSC1 SC-57996 [0,1,0,1,0,0|0,0,0]=2 261 B8R1.2 OCC1CCCCN1 SC-03633 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.2 [C-]#[N+]C1CCCCC1 SC-62261 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.3 CC1CCC(N)CC1 SC-47816 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 SC-49594 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.5 CC1CCCNC1=O SC-53234 [0,1,0,1,0,0|0,0,0]=2 266 B8R1.5 CC1CNCCC1O SC-72799 [0,1,0,1,0,0|0,0,2]=4 267 B8R1.5 CN1CCC=CC1=O SC-52341 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.5 CN1CCCCC1=O SC-A3437 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.5 C[C@H]1CNCCN1C SC-52572 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.5 NC1CCCCC1=O SC-45445 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.5 NC1CCONC1=O SC-25333 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.5 NN1CCCCC1=O SC-21321 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.10 CCCOC1CNC1 SC-29137 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.10 CCCOC1CNC1 SC-36647 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.10 OCCCC1COC1 SC-72817 [0,1,0,1,0,0|0,0,2]=4 276 B8R1.22 CC1OCCCCO1 SC-26173 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.38 CC(NN)C1CCC1 SC-41324 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.50 CC1=C(O)CCC1=O SC-66441 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.50 CN1CCN(C)C1=O SC-06831 [0,1,0,1,0,0|1,0,0]=3 280 B8R1.50 O=C1CCC(=O)C1Cl SC-47843 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.50 O=C1OCC(O)C1O SC-01371 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.52 CCC1(O)CCCC1 SC-28726 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.52 N#CC1(O)CCCC1 SC-40298 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.7 CC(=O)C1CCCC1 SC-34558 [0,1,0,1,0,0|0,0,0]=2 285 B8R1.7 CC(O)C1CCCC1 SC-22091 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.7 C[C@H](N)C1CCCC1 SC-69769 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.7 N=C(N)C1CCCC1 SC-12462 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.7 N=C(N)C1CCCO1 SC-54449 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.7 NC(=S)N1CCCC1 SC-59760 [0,1,0,1,0,0|1,1,0]=4 291 B8R1.7 O=C(Cl)C1=CCCC1 SC-61003 [0,1,0,1,0,0|0,0,2]=4 292 B8R1.7 O=C(Cl)C1CCOC1 SC-45575 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.7 O=C(O)[C@H]1CCOC1 SC-25181 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.7 OC(=S)[C@H]1CCCO1 SC-28168 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [0,1,0,1,0,0|1,0,0]=3 296 B8R1.19 CC1(C)CONC1=O SC-83064 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.23 CC(=O)N1CC(O)C1 SC-93602 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.6 COCC1CC(=O)C1 SC-65908 [0,1,0,1,0,0|1,0,0]=3 301 B8R1.6 NCCN1CC(=O)C1 SC-39286 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.6 O=C1CN(CCCl)C1 SC-39600 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.8 C=CCC1CCNC1 SC-36233 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.8 NNCC1CCCC1 SC-12831 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.11 C=CN1CCCC1=O SC-18133 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.11 CC1CCCC1NN SC-41421 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.11 CCN1CCCC1=O SC-17497 [0,1,0,1,0,0|1,0,0]=3 308 B8R1.11 CN1CCCC1CO SC-45186 [0,1,0,1,0,0|0,0,2]=4 309 B8R1.11 CN1CCC[C@@H]1CO SC-45385 [0,1,0,1,0,0|0,0,2]=4 310 B8R1.11 O=C1CCCN1CBr SC-45741 [0,1,0,1,0,0|1,0,0]=3 311 B8R1.11 O=C1CCCN1CCl SC-61208 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.39 CC(NN)C1(C)CC1 SC-38570 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.72 CC1(N)CCCCC1 SC-37824 [0,1,0,1,0,0|1,0,1]=4