0 B4R0.2 C=CCCBr SC-17888 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 C=CCNN SC-54870 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C=CCOC SC-62245 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C=NCC#N SC-77260 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 CCCNN SC-66226 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 CCCNN SC-88572 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.2 CCCSC SC-88233 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 CCNCC SC-25726 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.2 CCOC=N SC-52423 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 CC[NH2+]CC SC-20006 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.2 CNCCO SC-26626 [0,0,0,0,0,0|2,1,0]=3 11 B4R0.2 COCC[O-] SC-67452 [0,0,0,0,0,0|2,1,0]=3 12 B4R0.2 CSCCN SC-40144 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.2 C[SH+]CCCl SC-53966 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.2 FCCCF SC-62358 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.2 N#CCCS SC-66276 [0,0,0,0,0,0|1,0,1]=2 16 B4R0.2 NCCCCl SC-40009 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.2 NCCCF SC-48630 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 NCCCN SC-16220 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.1 C#CCCl SC-15922 [1,0,0,0,0,0|1,0,2]=4 20 B3R0.1 C#CCN SC-15923 [1,0,0,0,0,0|1,0,2]=4 21 B3R0.1 CC#CI SC-88621 [1,0,0,0,0,0|1,0,2]=4 22 B3R0.1 COC=O SC-19116 [1,0,0,0,0,0|1,1,1]=4 23 B3R0.1 FCCF SC-58115 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.1 ICCI SC-90216 [1,0,0,0,0,0|2,0,0]=3 25 B3R0.1 NCCBr SC-39967 [1,0,0,0,0,0|2,0,0]=3 26 B3R0.1 NCCI SC-40010 [1,0,0,0,0,0|2,0,0]=3 27 B3R0.1 OCCO SC-47188 [1,0,0,0,0,0|0,2,0]=3 28 B3R0.1 [Li]CCC SC-50170 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 C=C(C)CCI SC-35692 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.1 C=CCC(C)O SC-49226 [0,1,0,0,0,0|1,1,1]=4 31 B5R0.1 CC(Br)CCN SC-40141 [0,1,0,0,0,0|2,0,0]=3 32 B5R0.1 CC(N)CCN SC-66926 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.1 CNCC(C)N SC-66085 [0,1,0,0,0,0|3,0,0]=4 34 B5R0.1 COC[C@H](C)N SC-43750 [0,1,0,0,0,0|3,0,0]=4 35 B5R0.1 COC[C@H](C)N SC-51779 [0,1,0,0,0,0|3,0,0]=4 36 B5R0.1 N=C(N)CCBr SC-59651 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.1 N=C(N)CCCl SC-54448 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.1 N=C(N)CCCl SC-58529 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.1 N=C(N)CCN SC-69825 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.1 O=C(O)CCF SC-53145 [0,1,0,0,0,0|1,1,1]=4 41 B5R0.2 BrCCCCBr SC-00339 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.2 BrC\C=C/CBr SC-52925 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.2 BrC\C=C\CBr SC-77851 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.2 C#CCOCCl SC-52165 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.2 C=CCCC#N SC-71297 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.2 C=CCCC=C SC-65418 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.2 C=CCCC=C SC-91437 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.2 C=COCCC SC-13613 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.2 CCC#CCO SC-65673 [0,1,0,0,0,0|1,1,1]=4 50 B5R0.2 CCCCNN SC-40662 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.2 CCCCNN SC-41028 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.2 CCCN=C=S SC-74675 [0,1,0,0,0,0|1,0,2]=4 53 B5R0.2 CCCNCC SC-02236 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.2 CCNCCN SC-50818 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.2 CCOCCN SC-47824 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.2 CCSCCBr SC-16797 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.2 CCSCCN SC-65401 [0,1,0,0,0,0|2,0,0]=3 58 B5R0.2 COCCCO SC-01427 [0,1,0,0,0,0|0,2,0]=3 59 B5R0.2 CSCCCO SC-54096 [0,1,0,0,0,0|0,1,0]=2 60 B5R0.2 NCCCCBr SC-39791 [0,1,0,0,0,0|2,0,0]=3 61 B5R0.2 NCCCCF SC-25718 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.2 NC\C=C\CO SC-22303 [0,1,0,0,0,0|1,1,1]=4 63 B5R0.2 OCCCCCl SC-17604 [0,1,0,0,0,0|1,1,0]=3 64 B5R0.3 C=C(CBr)CBr SC-43603 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.3 C=CC(O)CBr SC-69913 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.3 CC(CCl)CBr SC-62287 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.3 CC(CN)CCl SC-40011 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.3 CC(CN)CN SC-50225 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.3 CC(CO)CO SC-20510 [0,1,0,0,0,0|0,2,0]=3 70 B5R0.3 CCC(=O)CN SC-94912 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.3 CCC(C)CBr SC-79299 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.3 CCC(O)CN SC-40219 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.3 CCC(O)OC SC-25588 [0,1,0,0,0,0|3,0,0]=4 74 B5R0.3 COC(C)CO SC-97662 [0,1,0,0,0,0|2,1,0]=4 75 B5R0.3 NCC(Br)CBr SC-40146 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.3 NCC(Cl)CCl SC-40268 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.3 NCC(O)CN SC-80923 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.3 NC[C@H](O)CO SC-45873 [0,1,0,0,0,0|1,1,0]=3 79 B5R0.3 O=C(CF)CF SC-49840 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.3 O=CC(O)CO SC-54496 [0,1,0,0,0,0|0,2,1]=4 81 B5R0.3 OC[C@H](O)CCl SC-05684 [0,1,0,0,0,0|1,1,0]=3 82 B5R1.1 C1=COCC1 SC-22656 [0,0,0,1,0,0|1,1,1]=4 83 B5R1.1 C1CNCN1 SC-97431 [0,0,0,1,0,0|3,0,0]=4 84 B5R1.2 ClC1CNC1 SC-43920 [0,0,0,1,0,0|3,0,0]=4 85 B5R1.3 CC[C@H]1CO1 SC-21973 [0,0,0,1,0,0|1,1,0]=3 86 B5R1.3 OCC1CS1 SC-70773 [0,0,0,1,0,0|0,1,0]=2 87 B5R1.4 CC1CC1N SC-88485 [0,0,0,1,0,0|2,0,0]=3 88 B2R0.1 CC[O-] SC-19450 [2,0,0,0,0,0|0,1,0]=3 89 B2R0.1 CC[O-] SC-67115 [2,0,0,0,0,0|0,1,0]=3 90 B2R0.1 CC[S-] SC-53724 [2,0,0,0,0,0|0,0,1]=3 91 B2R0.1 NCN SC-53958 [2,0,0,0,0,0|2,0,0]=4 92 B2R0.1 [Li]CC SC-69937 [2,0,0,0,0,0|1,0,0]=3 93 B4R0.1 C#CC(C)C SC-83017 [1,1,0,0,0,0|1,0,1]=4 94 B4R0.1 CC(C)CBr SC-16381 [1,1,0,0,0,0|1,0,0]=3 95 B4R0.1 CC(Cl)CN SC-40273 [1,1,0,0,0,0|1,0,0]=3 96 B4R0.1 CCC(=N)N SC-39291 [1,1,0,0,0,0|1,0,1]=4 97 B4R0.1 CCN(C)C SC-05626 [1,1,0,0,0,0|2,0,0]=4 98 B4R0.1 C[C@@H](Cl)CO SC-70277 [1,1,0,0,0,0|0,1,0]=3 99 B4R0.1 NCC(Br)Br SC-40061 [1,1,0,0,0,0|2,0,0]=4 100 B4R0.1 NCC(Cl)Cl SC-40282 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.1 C=C(CCl)CCCl SC-29978 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.1 C=CC[C@@H](O)CCl SC-30233 [0,2,0,0,0,0|2,0,0]=4 103 B6R0.1 C=CC[C@H](O)CCl SC-31067 [0,2,0,0,0,0|2,0,0]=4 104 B6R0.1 CCC(O)COC SC-95930 [0,2,0,0,0,0|1,1,0]=4 105 B6R0.1 CCCC(Br)CC SC-87780 [0,2,0,0,0,0|2,0,0]=4 106 B6R0.1 CCCC(C)NN SC-38965 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.1 CCCC(O)CN SC-35839 [0,2,0,0,0,0|1,1,0]=4 108 B6R0.1 CCCC(O)CO SC-65083 [0,2,0,0,0,0|1,1,0]=4 109 B6R0.1 CCNC(C)CN SC-29669 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.1 CC[C@@H](N)COC SC-48788 [0,2,0,0,0,0|1,1,0]=4 111 B6R0.1 CC[C@H](N)COC SC-48789 [0,2,0,0,0,0|1,1,0]=4 112 B6R0.1 CN(CO)CCO SC-42099 [0,2,0,0,0,0|0,2,0]=4 113 B6R0.1 CSCC(C)NN SC-14209 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.1 CSCC(N)CO SC-69757 [0,2,0,0,0,0|0,1,0]=3 115 B6R0.2 CC(C)CC(C)Br SC-26522 [0,2,0,0,0,0|2,0,0]=4 116 B6R0.2 C[C@H](O)C[C@H](C)O SC-06528 [0,2,0,0,0,0|0,2,0]=4 117 B6R0.3 C[C@H](O)[C@@H](N)CO SC-54023 [0,2,0,0,0,0|0,2,0]=4 118 B6R0.3 N[C@@H](CS)C(=O)O SC-09429 [0,2,0,0,0,0|0,1,1]=4 119 B6R0.4 C=C(C)CCCBr SC-32900 [0,2,0,0,0,0|2,0,0]=4 120 B6R0.4 C=C(C)CCCO SC-14313 [0,2,0,0,0,0|1,1,0]=4 121 B6R0.4 CC(Br)CCCBr SC-74609 [0,2,0,0,0,0|2,0,0]=4 122 B6R0.4 CC(C)CCCO SC-67391 [0,2,0,0,0,0|1,1,0]=4 123 B6R0.4 CC(C)OCCN SC-47370 [0,2,0,0,0,0|2,0,0]=4 124 B6R0.4 CCCCB(O)O SC-04512 [0,2,0,0,0,0|1,1,0]=4 125 B6R0.4 CCCNC(C)C SC-50047 [0,2,0,0,0,0|2,0,0]=4 126 B6R0.4 N=C(N)CCCBr SC-59652 [0,2,0,0,0,0|2,0,0]=4 127 B6R0.4 N=C(N)CCCCl SC-55395 [0,2,0,0,0,0|2,0,0]=4 128 B6R0.4 N=C(N)CCCO SC-70213 [0,2,0,0,0,0|1,1,0]=4 129 B6R0.4 NC(=O)CCCO SC-12258 [0,2,0,0,0,0|0,2,0]=4 130 B6R0.4 NCCCC(F)F SC-25475 [0,2,0,0,0,0|2,0,0]=4 131 B6R0.4 O=C(O)CCCBr SC-02994 [0,2,0,0,0,0|1,1,0]=4 132 B6R0.5 CC(C)(C)CCBr SC-47082 [0,2,0,0,0,0|2,0,0]=4 133 B6R0.5 CC(C)(C)CCO SC-05864 [0,2,0,0,0,0|1,1,0]=4 134 B6R0.6 C=CCCCC=O SC-34117 [0,2,0,0,0,0|1,1,0]=4 135 B6R0.6 C=CCCCCN SC-34878 [0,2,0,0,0,0|2,0,0]=4 136 B6R0.6 C=CCCCCO SC-44461 [0,2,0,0,0,0|1,1,0]=4 137 B6R0.6 C=CCCCC[Zn+] SC-89392 [0,2,0,0,0,0|2,0,0]=4 138 B6R0.6 C=CCOCCI SC-50512 [0,2,0,0,0,0|2,0,0]=4 139 B6R0.6 C=CCOCCO SC-25613 [0,2,0,0,0,0|1,1,0]=4 140 B6R0.6 CCCCCCO SC-22734 [0,2,0,0,0,0|1,1,0]=4 141 B6R0.6 CCCCNCC SC-47234 [0,2,0,0,0,0|2,0,0]=4 142 B6R0.6 CCCNCCO SC-20196 [0,2,0,0,0,0|1,1,0]=4 143 B6R0.6 CCOCCCN SC-74768 [0,2,0,0,0,0|1,1,0]=4 144 B6R0.6 COCCCC=O SC-88270 [0,2,0,0,0,0|0,2,0]=4 145 B6R0.6 ClCCCCCBr SC-26019 [0,2,0,0,0,0|2,0,0]=4 146 B6R0.6 ClCCOCCCl SC-19085 [0,2,0,0,0,0|2,0,0]=4 147 B6R0.6 N#CCCCCBr SC-13250 [0,2,0,0,0,0|2,0,0]=4 148 B6R0.6 N#CCCCCO SC-14232 [0,2,0,0,0,0|1,1,0]=4 149 B6R0.6 N#CCOCCN SC-51422 [0,2,0,0,0,0|2,0,0]=4 150 B6R0.6 NCCNCCN SC-79061 [0,2,0,0,0,0|2,0,0]=4 151 B6R0.6 NCCOCCCl SC-88571 [0,2,0,0,0,0|2,0,0]=4 152 B6R0.6 NCCSCCO SC-77966 [0,2,0,0,0,0|1,1,0]=4 153 B6R0.6 O=C=NCCCCl SC-77667 [0,2,0,0,0,0|1,1,0]=4 154 B6R0.6 OCCOCCCl SC-25834 [0,2,0,0,0,0|1,1,0]=4 155 B6R0.6 S=C=NCCCBr SC-54583 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.8 CC(C)(CO)CO SC-79890 [0,2,0,0,0,0|0,2,0]=4 157 B6R0.9 CCC(CC)CI SC-66031 [0,2,0,0,0,0|2,0,0]=4 158 B6R0.9 CCC(CC)CN SC-77976 [0,2,0,0,0,0|2,0,0]=4 159 B6R0.9 CCC(CC)NN SC-38843 [0,2,0,0,0,0|2,0,0]=4 160 B6R0.9 CCC(CN)OC SC-48021 [0,2,0,0,0,0|2,0,0]=4 161 B6R1.2 CC1CCOC1 SC-48311 [0,1,0,1,0,0|1,1,0]=4 162 B6R1.2 ClC1CCOC1 SC-47840 [0,1,0,1,0,0|1,1,0]=4 163 B6R1.2 NC1CCCC1 SC-26627 [0,1,0,1,0,0|2,0,0]=4 164 B6R1.2 O=C1CCSC1 SC-00014 [0,1,0,1,0,0|0,1,1]=4 165 B6R1.2 OC1CCSC1 SC-53391 [0,1,0,1,0,0|0,1,0]=3 166 B6R1.2 [C@@H]1(N)CCNC1 SC-00475 [0,1,0,1,0,0|2,0,0]=4 167 B6R1.2 [C@@H]1(N)CCNC1 SC-00476 [0,1,0,1,0,0|2,0,0]=4 168 B6R1.3 CCNC1CC1 SC-34607 [0,1,0,1,0,0|2,0,0]=4 169 B6R1.5 N[C@H]1C[C@@H](O)C1 SC-51721 [0,1,0,1,0,0|1,1,0]=4 170 B6R1.10 CC1(C)CCN1 SC-70092 [0,1,0,1,0,0|2,0,0]=4 171 B6R1.11 O=C(O)C1CS1 SC-70775 [0,1,0,1,0,0|0,1,1]=4 172 B6R1.1 C1CNCCN1 SC-16373 [0,1,0,1,0,0|2,0,0]=4 173 B6R1.1 C1CSCCS1 SC-49306 [0,1,0,1,0,0|1,0,0]=3 174 B6R1.6 ICC1CCO1 SC-48435 [0,1,0,1,0,0|1,1,0]=4 175 B6R1.6 OC[C@H]1CCN1 SC-66733 [0,1,0,1,0,0|1,1,0]=4 176 B6R1.7 CC1(CCl)CC1 SC-48356 [0,1,0,1,0,0|2,0,0]=4 177 B6R1.7 NC1(CO)CC1 SC-35705 [0,1,0,1,0,0|1,1,0]=4 178 B6R1.7 NCC1(N)CC1 SC-53132 [0,1,0,1,0,0|2,0,0]=4