0 B5R0.3 C=CC(O)CBr SC-69913 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 CC(CCl)CBr SC-62287 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 CC(CN)CCl SC-40011 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CC(CN)CN SC-50225 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CC(CO)CO SC-20510 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.3 CCC(=N)NO SC-56228 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CCC(=O)CN SC-94912 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 CCC(C)CBr SC-79299 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.3 CCC(O)CN SC-40219 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CCC(O)OC SC-25588 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 COC(C)CO SC-97662 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.3 NCC(Br)CBr SC-40146 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 NCC(Cl)CCl SC-40268 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 NCC(O)CN SC-80923 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 NC[C@H](O)CO SC-45873 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 O=CC(O)CO SC-54496 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.3 OC[C@H](O)CCl SC-05684 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 C#CC(C)C SC-83017 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 C=C(Cl)CCl SC-62204 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C=C(N)OC SC-01201 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(=O)NN SC-16358 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(C)CBr SC-16381 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(Cl)CN SC-40273 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CCC(=N)N SC-39291 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CCN(C)C SC-05626 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 COC(=O)[O-] SC-65186 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 COC(N)=O SC-46315 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C[C@@H](Cl)CO SC-70277 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 NCC(=O)O SC-26815 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 NCC(Br)Br SC-40061 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 NCC(Cl)Cl SC-40282 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 O=C(Cl)CCl SC-18214 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 O=C(O)CO SC-85771 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 O=C([O-])CBr SC-50549 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 O=C([O-])CO SC-89096 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 C=CCCBr SC-17888 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 C=CCNN SC-54870 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.2 C=CCOC SC-62245 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 CCCNN SC-66226 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 CCCNN SC-88572 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 CCCSC SC-88233 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.2 CCNCC SC-25726 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 CCOC=N SC-52423 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 CC[NH2+]CC SC-20006 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 CNCCO SC-26626 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 COCC[O-] SC-67452 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 CSCCN SC-40144 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 C[SH+]CCCl SC-53966 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 FCCCF SC-62358 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 N#CCCS SC-66276 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 NCCCCl SC-40009 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 NCCCF SC-48630 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 NCCCN SC-16220 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.1 C=CC(=O)OCC SC-19398 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.1 C=CC[C@@H](O)CCl SC-30233 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.1 C=CC[C@H](O)CCl SC-31067 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 CCC(O)COC SC-95930 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 CCCC(Br)CC SC-87780 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CCCC(C)NN SC-38965 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.1 CCCC(O)CN SC-35839 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.1 CCCC(O)CO SC-65083 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.1 CCNC(C)CN SC-29669 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.1 CC[C@@H](N)COC SC-48788 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.1 CC[C@H](N)COC SC-48789 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.1 CN(CO)CCO SC-42099 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.1 CSCC(C)NN SC-14209 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.1 CSCC(N)CO SC-69757 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 C=C(I)[C@H](C)CI SC-68491 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.3 C=CC(N)C(=O)O SC-83691 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.3 CC(=O)C(=O)CBr SC-66140 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 CC(=O)\C(C)=N\O SC-46911 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 CC(CN)N(C)C SC-29496 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.3 CCC(C)C(=N)N SC-40567 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.3 CCC(C)C(=O)O SC-22738 [0,1,0,0,0,0|0,0,0]=1 74 B6R0.3 CCC(Cl)C(=O)O SC-96228 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.3 CCC(O)C(=N)N SC-41904 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.3 CCC(O)C(=O)O SC-88990 [0,1,0,0,0,0|1,0,0]=2 77 B6R0.3 CCN(C)C(=O)Cl SC-18616 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.3 CC[C@@H](Cl)C(=O)O SC-52915 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.3 C[C@H](O)[C@@H](N)CO SC-54023 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.3 NC(=O)C(N)CO SC-53653 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.3 NC[C@H](N)C(=O)O SC-10204 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.3 N[C@@H](CCl)C(=O)O SC-21241 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.3 N[C@@H](CS)C(=O)O SC-09429 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.3 [C@H](O)(CN)C(=O)O SC-18368 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.8 CC(C)(CO)CO SC-79890 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.8 CCC(C)(C)NC SC-88210 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.9 CCC(CC)CI SC-66031 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.9 CCC(CC)CN SC-77976 [0,1,0,0,0,0|1,0,1]=3 89 B6R0.9 CCC(CC)NN SC-38843 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.9 CCC(CN)OC SC-48021 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.9 CC[BH-](CC)CC SC-95040 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.9 CC[SiH](CC)CC SC-15975 [0,1,0,0,0,0|1,1,1]=4 93 B6R0.9 O=CC(C=O)C=O SC-26200 [0,1,0,0,0,0|1,0,2]=4 94 B6R1.2 CC1CCOC1 SC-48311 [0,0,0,1,0,0|0,0,2]=3 95 B6R1.2 ClC1CCOC1 SC-47840 [0,0,0,1,0,0|1,0,2]=4 96 B6R1.2 NC1CCCC1 SC-26627 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 OC1CCSC1 SC-53391 [0,0,0,1,0,0|1,1,1]=4 98 B6R1.2 S=C1C=CCC1 SC-42975 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 [C@@H]1(N)CCNC1 SC-00475 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.2 [C@@H]1(N)CCNC1 SC-00476 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.6 CNC1COC1 SC-53803 [0,0,0,1,0,0|1,0,2]=4 102 B6R1.6 COC1COC1 SC-52729 [0,0,0,1,0,0|1,0,2]=4 103 B6R1.6 ICC1CCO1 SC-48435 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.6 OC[C@H]1CCN1 SC-66733 [0,0,0,1,0,0|1,0,2]=4 105 B6R1.7 CC1(CCl)CC1 SC-48356 [0,0,0,1,0,0|1,0,1]=3 106 B6R1.7 NC1(CO)CC1 SC-35705 [0,0,0,1,0,0|1,0,2]=4 107 B6R1.7 NCC1(N)CC1 SC-53132 [0,0,0,1,0,0|2,0,1]=4 108 B3R0.1 COC=O SC-19116 [2,0,0,0,0,0|1,0,0]=3 109 B3R0.1 FCCF SC-58115 [2,0,0,0,0,0|2,0,0]=4 110 B3R0.1 ICCI SC-90216 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 NCCBr SC-39967 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.1 NCCI SC-40010 [2,0,0,0,0,0|2,0,0]=4 113 B3R0.1 O=CC=O SC-19118 [2,0,0,0,0,0|1,0,1]=4 114 B3R0.1 OCCO SC-47188 [2,0,0,0,0,0|1,0,1]=4 115 B3R0.1 [Li]CCC SC-50170 [2,0,0,0,0,0|1,0,0]=3 116 B3R0.2 C=C(C)Br SC-25629 [2,0,0,0,0,0|1,0,1]=4 117 B3R0.2 CC(=O)Cl SC-18262 [2,0,0,0,0,0|1,0,1]=4 118 B3R0.2 CC(=O)O SC-18360 [2,0,0,0,0,0|1,0,1]=4 119 B3R0.2 CC(=O)[O-] SC-18378 [2,0,0,0,0,0|1,0,1]=4 120 B3R0.2 CC(=O)[O-] SC-18482 [2,0,0,0,0,0|1,0,1]=4 121 B3R0.2 CC(=O)[O-] SC-25242 [2,0,0,0,0,0|1,0,1]=4 122 B3R0.2 CC(=O)[O-] SC-27311 [2,0,0,0,0,0|1,0,1]=4 123 B3R0.2 CC(=O)[O-] SC-46276 [2,0,0,0,0,0|1,0,1]=4 124 B3R0.2 CC(=O)[O-] SC-46872 [2,0,0,0,0,0|1,0,1]=4 125 B3R0.2 CC(=O)[O-] SC-80851 [2,0,0,0,0,0|1,0,1]=4 126 B3R0.2 CC(=O)[O-] SC-81149 [2,0,0,0,0,0|1,0,1]=4 127 B3R0.2 CC(=O)[O-] SC-81231 [2,0,0,0,0,0|1,0,1]=4 128 B3R0.2 CC(=O)[O-] SC-81521 [2,0,0,0,0,0|1,0,1]=4 129 B3R0.2 CC(C)=O SC-20986 [2,0,0,0,0,0|0,0,1]=3 130 B3R0.2 CC(C)[O-] SC-15122 [2,0,0,0,0,0|0,0,1]=3 131 B3R0.2 CC(C)[O-] SC-25162 [2,0,0,0,0,0|0,0,1]=3 132 B3R0.2 CN(C)Br SC-53113 [2,0,0,0,0,0|2,0,0]=4 133 B3R0.2 CN(C)Cl SC-43613 [2,0,0,0,0,0|2,0,0]=4 134 B3R0.2 CP(C)Cl SC-48837 [2,0,0,0,0,0|2,0,0]=4 135 B3R0.2 C[S+](C)Br SC-73660 [2,0,0,0,0,0|2,0,0]=4 136 B3R0.2 C[SnH2+](C)C SC-49273 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.1 C=C(C)CCI SC-35692 [1,1,0,0,0,0|0,0,1]=3 138 B5R0.1 C=CCC(C)O SC-49226 [1,1,0,0,0,0|0,0,2]=4 139 B5R0.1 CC(=O)NCO SC-19774 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.1 CC(Br)CCN SC-40141 [1,1,0,0,0,0|1,0,0]=3 141 B5R0.1 CC(C)=CCBr SC-61636 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.1 CC(N)CCN SC-66926 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.1 CNCC(=O)[O-] SC-18610 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 CNCC(C)N SC-66085 [1,1,0,0,0,0|1,0,0]=3 145 B5R0.1 COCC(=O)O SC-22928 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.1 COCC(C)=O SC-81373 [1,1,0,0,0,0|0,0,1]=3 147 B5R0.1 COCC(C)=S SC-42217 [1,1,0,0,0,0|0,1,1]=4 148 B5R0.1 COC[C@H](C)N SC-43750 [1,1,0,0,0,0|1,0,0]=3 149 B5R0.1 COC[C@H](C)N SC-51779 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.1 CSCC(N)=O SC-27108 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.1 O=C(O)CCF SC-53145 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.4 C=CC(C)(C)N SC-36956 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.4 C=C[Si](C)(C)Cl SC-21357 [1,1,0,0,0,0|1,1,0]=4 154 B5R0.4 CC(C)(C)CN SC-22562 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.4 CC(C)(C)NN SC-54873 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.4 CCC(C)(C)I SC-70421 [1,1,0,0,0,0|0,0,1]=3 157 B5R0.4 CC[N+](C)(C)[O-] SC-20985 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.4 CNC(C)(C)C SC-89153 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.5 CC(=O)C(=O)[O-] SC-25992 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.5 CC(=O)C(C)Br SC-44476 [1,1,0,0,0,0|0,0,1]=3 162 B5R0.5 CC(=S)C(C)S SC-42614 [1,1,0,0,0,0|0,1,1]=4 163 B5R0.5 CC(C)C(C)N SC-27570 [1,1,0,0,0,0|0,0,1]=3 164 B5R0.5 CC(Cl)C(=N)N SC-39558 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.5 CC(Cl)C(N)=O SC-50401 [1,1,0,0,0,0|1,0,0]=3 166 B5R0.5 CC(O)C(=O)O SC-15841 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.5 CC(O)C(=O)O SC-18578 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.5 CC(O)C(=O)[O-] SC-15837 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.5 CC(O)C(=O)[O-] SC-18033 [1,1,0,0,0,0|1,0,0]=3 170 B5R0.5 CC(O)C(=O)[O-] SC-46260 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.5 O=C(Cl)C(Cl)Cl SC-62236 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.5 [C@@H](C)(N)C(N)=O SC-22084 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.2 BrCCCCBr SC-00339 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.2 C=CCCC#N SC-71297 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.2 C=CCCC=C SC-65418 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.2 C=CCCC=C SC-91437 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.2 C=COCCC SC-13613 [1,1,0,0,0,0|1,0,0]=3 178 B5R0.2 CCCCNN SC-40662 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.2 CCCCNN SC-41028 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.2 CCCN=C=S SC-74675 [1,1,0,0,0,0|0,1,1]=4 181 B5R0.2 CCCNCC SC-02236 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.2 CCNCCN SC-50818 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.2 CCOCCN SC-47824 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.2 CCSCCBr SC-16797 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.2 CCSCCN SC-65401 [1,1,0,0,0,0|1,0,1]=4 186 B5R0.2 COCCCO SC-01427 [1,1,0,0,0,0|0,0,2]=4 187 B5R0.2 CSCCCO SC-54096 [1,1,0,0,0,0|0,0,2]=4 188 B5R0.2 C\C=C/OCC SC-15783 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.2 NCCCCBr SC-39791 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.2 NCCCCF SC-25718 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.2 OCCCCCl SC-17604 [1,1,0,0,0,0|0,0,2]=4 192 B7R0.2 CC(=O)OC(Br)CBr SC-14499 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.2 CC(C)CC(C)NN SC-38647 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.2 CC(CCl)CN(C)C SC-49474 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.2 CC(CO)CN(C)C SC-49500 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.2 CCC(=O)OC(C)=O SC-96821 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.3 C=CCCC(C)CC SC-69778 [0,2,0,0,0,0|1,0,0]=3 198 B7R0.3 CSCCC(C)NN SC-38760 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.5 C#CCC(N)C(=O)O SC-70414 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.5 C=CCC(N)C(=O)O SC-14116 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [0,2,0,0,0,0|0,0,0]=2 202 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [0,2,0,0,0,0|0,0,0]=2 203 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [0,2,0,0,0,0|1,0,0]=3 204 B7R0.5 CCOC(=O)C(N)=O SC-20979 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [0,2,0,0,0,0|0,0,1]=3 206 B7R0.5 COCC(N)C(=O)O SC-43930 [0,2,0,0,0,0|1,0,0]=3 207 B7R0.5 NCCC(O)C(=O)O SC-16245 [0,2,0,0,0,0|1,0,0]=3 208 B7R0.7 CCCC(C)CNN SC-42603 [0,2,0,0,0,0|1,0,1]=4 209 B7R0.7 COCC(C)COC SC-66246 [0,2,0,0,0,0|0,0,2]=4 210 B7R0.10 CCC(C)C(C)NN SC-38614 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.10 COC(=O)[C@@H](N)CO SC-88547 [0,2,0,0,0,0|2,0,0]=4 212 B7R0.10 COC(=O)[C@H](C)CBr SC-08854 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.10 CON(C)C(=O)CBr SC-33609 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.10 CON(C)C(=O)CI SC-29719 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.10 N[C@@H](CCl)C(=O)NO SC-22009 [0,2,0,0,0,0|2,0,0]=4 216 B7R0.11 COCC(C)(C)CN SC-49388 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.12 CCC(CC)CNN SC-59903 [0,2,0,0,0,0|1,0,1]=4 218 B7R0.12 CCNC(CC)CN SC-29936 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.12 COC(CCN)OC SC-40178 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.13 CC(C)(CN)C(N)=O SC-23041 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.13 CC(N)(CO)C(=O)O SC-73786 [0,2,0,0,0,0|1,0,0]=3 222 B7R0.13 CC(O)(CBr)C(=O)O SC-58676 [0,2,0,0,0,0|1,0,0]=3 223 B7R0.13 CCC(C)(C)C(=O)Cl SC-18452 [0,2,0,0,0,0|0,0,0]=2 224 B7R0.13 CCC(C)(C)C(=O)O SC-15366 [0,2,0,0,0,0|0,0,0]=2 225 B7R0.13 NCC(F)(F)C(=O)O SC-22061 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.13 NCC(F)(F)C(=O)O SC-51906 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.14 CC(C)(C)C(=O)C=O SC-33489 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.15 CCC(CN)N(C)C SC-29729 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.15 CCC(NN)C(C)C SC-39162 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.15 CCN(CC)C(=S)[S-] SC-62397 [0,2,0,0,0,0|1,1,0]=4 231 B7R0.15 CCN(CC)C(=S)[S-] SC-65385 [0,2,0,0,0,0|1,1,0]=4 232 B7R0.15 COC(OC)C(=N)N SC-40005 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.15 COC(OC)[C@@H](C)O SC-70217 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,2,0,0,0,0|1,0,0]=3 235 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SC-09895 [0,2,0,0,0,0|1,0,0]=3 237 B7R0.16 C[C@H](N)[C@H](N)C(=O)O SC-10141 [0,2,0,0,0,0|1,0,0]=3 238 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [0,2,0,0,0,0|1,0,0]=3 239 B5R1.2 ClC1CNC1 SC-43920 [1,0,0,1,0,0|2,0,0]=4 240 B5R1.3 CC[C@H]1CO1 SC-21973 [1,0,0,1,0,0|0,0,1]=3 241 B5R1.3 OCC1CS1 SC-70773 [1,0,0,1,0,0|1,1,0]=4 242 B5R1.4 CC1CC1N SC-88485 [1,0,0,1,0,0|1,0,0]=3 243 B5R1.1 C1=COCC1 SC-22656 [1,0,0,1,0,0|0,0,2]=4 244 B7R1.1 CNC1CCOC1 SC-14941 [0,1,0,1,0,0|0,0,2]=4 245 B7R1.1 CN[C@H]1CCNC1 SC-08954 [0,1,0,1,0,0|1,0,1]=4 246 B7R1.1 COC1CCCC1 SC-82890 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.1 CO[C@H]1CCNC1 SC-51991 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.1 ClCC1CCCC1 SC-52756 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.1 ICC1CCCC1 SC-19498 [0,1,0,1,0,0|1,0,1]=4 250 B7R1.1 NCC1CCOC1 SC-35383 [0,1,0,1,0,0|0,0,2]=4 251 B7R1.1 NNC1CCSC1 SC-59920 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.1 OCC1CCNC1 SC-19805 [0,1,0,1,0,0|0,0,2]=4 253 B7R1.1 OC[C@@H]1CCCO1 SC-68774 [0,1,0,1,0,0|0,0,2]=4 254 B7R1.2 CC1CCC(=O)N1 SC-89347 [0,1,0,1,0,0|0,0,0]=2 255 B7R1.2 CC1CCC(N)C1 SC-50487 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.2 CC1CNC(=O)N1 SC-65644 [0,1,0,1,0,0|1,0,0]=3 257 B7R1.2 CC1CNC(=O)N1 SC-67475 [0,1,0,1,0,0|1,0,0]=3 258 B7R1.2 CC1CNC(C)C1 SC-69891 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.2 CC1CSC(=O)S1 SC-51669 [0,1,0,1,0,0|1,0,0]=3 260 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [0,1,0,1,0,0|0,0,0]=2 261 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [0,1,0,1,0,0|1,0,0]=3 264 B7R1.2 C[C@@H]1CSC(=S)N1 SC-49654 [0,1,0,1,0,0|1,1,0]=4 265 B7R1.2 C[C@@H]1C[C@H](O)CN1 SC-51782 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [0,1,0,1,0,0|0,0,0]=2 267 B7R1.2 NC1CNC(=O)C1 SC-68325 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.2 N[C@H]1CNC(=O)C1 SC-52716 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.2 O=C1OCC(F)O1 SC-19199 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.3 CC1CNCCN1 SC-46321 [0,1,0,1,0,0|1,0,1]=4 273 B7R1.3 CC1OCCCO1 SC-49961 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.3 CN1CC=CCC1 SC-20668 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.3 CN1CC=CCC1 SC-43820 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.3 C[C@@H]1CCCCN1 SC-66098 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.3 C[C@@H]1CNCCN1 SC-16922 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.3 C[C@@H]1COCCN1 SC-53986 [0,1,0,1,0,0|0,0,2]=4 279 B7R1.4 CC1CCCC1=S SC-42934 [0,1,0,1,0,0|0,1,0]=3 280 B7R1.4 CC1CCCC1N SC-71052 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.4 CC1OCCC1=O SC-03396 [0,1,0,1,0,0|0,0,0]=2 282 B7R1.4 CC1SCCC1=S SC-42506 [0,1,0,1,0,0|0,1,0]=3 283 B7R1.4 NC1CCNC1=O SC-48795 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.4 NC1CCNC1=O SC-51089 [0,1,0,1,0,0|1,0,0]=3 285 B7R1.4 NC1CONC1=O SC-11124 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.4 N[C@H]1CCOC1=O SC-51606 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.4 O=C1CCC=C1Br SC-49478 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.4 O=C1NCC[C@@H]1O SC-21960 [0,1,0,1,0,0|1,0,0]=3 289 B7R1.4 O=C1OCC[C@H]1O SC-08904 [0,1,0,1,0,0|1,0,0]=3 290 B7R1.4 S=C1CCCC1Cl SC-42320 [0,1,0,1,0,0|1,1,0]=4 291 B7R1.5 CC1CC1CNN SC-60063 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.6 CCNC1CNC1 SC-70012 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.6 COCC1CNC1 SC-89956 [0,1,0,1,0,0|1,0,1]=4 294 B7R1.6 N#CCC1CCC1 SC-39102 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.10 NC1CC(CO)C1 SC-88222 [0,1,0,1,0,0|0,0,2]=4 296 B7R1.10 NC[C@H]1C[C@@H](O)C1 SC-52916 [0,1,0,1,0,0|1,0,1]=4 297 B7R1.10 O=C1CN(CCl)C1 SC-39185 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.10 OCC1CC(F)C1 SC-25285 [0,1,0,1,0,0|0,0,2]=4 299 B7R1.22 CC(NN)C1CC1 SC-39260 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.25 CC1(CO)CNC1 SC-67286 [0,1,0,1,0,0|0,0,2]=4 301 B7R1.12 CC1CC1C(=O)Cl SC-60998 [0,1,0,1,0,0|0,0,0]=2 302 B7R1.12 CC1CC1C(=O)O SC-71058 [0,1,0,1,0,0|0,0,0]=2 303 B7R1.18 N=C(N)C1CCC1 SC-12460 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.18 O=C(O)C1CCN1 SC-53260 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.19 CC(=O)C1(C)CC1 SC-47849 [0,1,0,1,0,0|0,0,0]=2 306 B7R1.19 CC1(C(=O)Cl)CC1 SC-45726 [0,1,0,1,0,0|0,0,0]=2 307 B7R1.19 O=C(O)C1(Cl)CC1 SC-49481 [0,1,0,1,0,0|1,0,0]=3 308 B7R1.14 CC1(N)CCCC1 SC-38076 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.14 CC1(O)CCCC1 SC-26720 [0,1,0,1,0,0|1,0,1]=4