0 B5R0.1 C=C(C)CCI SC-35692 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C=CCC(C)O SC-49226 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(=O)NCO SC-19774 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(=O)\C=N\O SC-51367 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(C)=CCBr SC-61636 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CNCC(=O)[O-] SC-18610 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 COCC(=O)O SC-22928 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 COCC(C)=O SC-81373 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 COCC(C)=S SC-42217 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.1 CSCC(N)=O SC-27108 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 C\C=C\C(=O)Cl SC-24539 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 C\C=C\[N+](=O)[O-] SC-65946 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 N#C[N-]C(N)=O SC-89055 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 O=C(O)CCF SC-53145 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 C=C(N)OC SC-01201 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.1 C=CC(=O)Cl SC-18188 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.1 C=CC(=O)[O-] SC-80823 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.1 CC(=O)NN SC-16358 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 COC(=N)N SC-46936 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 COC(=N)N SC-65775 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 COC(=O)[O-] SC-65186 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 COC(N)=O SC-46315 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 COC(N)=[NH2+] SC-15893 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 F\C(Cl)=C/Cl SC-62454 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 NCC(=O)O SC-26815 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 O=C(Cl)CCl SC-18214 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 O=C(O)CO SC-85771 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 O=C([O-])CBr SC-50549 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 O=C([O-])CO SC-89096 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 C=CCCBr SC-17888 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 C=CCNN SC-54870 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.2 C=CCOC SC-62245 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 CCOC=N SC-52423 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.2 O=[Er]O[Er]=O SC-54378 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.1 C=CC(=O)OCC SC-19398 [0,1,0,0,0,0|0,0,3]=4 35 B6R0.1 C=CC[C@@H](O)CCl SC-30233 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.1 C=CC[C@H](O)CCl SC-31067 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.1 CCC(=O)CC#N SC-26865 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.1 COC(=O)CC#N SC-19134 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.1 COC(=O)CCCl SC-19880 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 COC(=O)NC#N SC-49423 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.2 CC(=O)C[N+](=O)[O-] SC-67566 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.2 CC(=O)NC(N)=O SC-87858 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.2 NC(=O)CC(N)=O SC-47182 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.2 O=C(O)CC(=O)O SC-77641 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.3 C=CC(N)C(=O)O SC-83691 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.3 CC(=O)C(=O)CBr SC-66140 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 CC(=O)\C(C)=N\O SC-46911 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.4 C=CCNC(C)=O SC-48071 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.4 C=CNCC(=O)O SC-21370 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.4 C=COCC(C)C SC-19102 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.4 CC(=O)NCCCl SC-49821 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.4 CC(=O)OCCO SC-95931 [0,1,0,0,0,0|0,0,2]=3 56 B6R0.4 CC(C)=NNC=O SC-26098 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.4 CCCOC(=O)Cl SC-19101 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.4 O=C(Cl)OCCF SC-53156 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.5 C=CCC(C)(C)O SC-70433 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.5 C=CCS(=O)(=O)[O-] SC-80979 [0,1,0,0,0,0|3,0,0]=4 61 B6R1.2 BrC1=NC=CO1 SC-33438 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.2 CC1=CC=CS1 SC-05307 [0,0,0,1,0,0|1,1,0]=3 63 B6R1.2 ClC1=CC=CS1 SC-07452 [0,0,0,1,0,0|1,1,1]=4 64 B6R1.2 IC1=NC=CO1 SC-38199 [0,0,0,1,0,0|2,0,0]=3 65 B6R1.2 NC1=NC=CS1 SC-85482 [0,0,0,1,0,0|2,1,0]=4 66 B6R1.2 O=C1CCON1 SC-95997 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.2 O=C1CCSC1 SC-00014 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.2 O=C1N=CN=N1 SC-49136 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.2 O=C1OCCO1 SC-46725 [0,0,0,1,0,0|1,0,2]=4 70 B6R1.2 S=C1C=CCC1 SC-42975 [0,0,0,1,0,0|1,1,1]=4 71 B6R1.2 SC1=NC=CS1 SC-13352 [0,0,0,1,0,0|1,2,0]=4 72 B6R1.2 [CH2-]C1=CC=CO1 SC-22251 [0,0,0,1,0,0|1,0,1]=3 73 B6R1.2 [Co]C1=CC=CC1 SC-66763 [0,0,0,1,0,0|2,0,0]=3 74 B6R1.2 [Mg+]C1=CC=CS1 SC-84693 [0,0,0,1,0,0|1,1,1]=4 75 B6R1.2 [Zn+]C1=NC=CS1 SC-91239 [0,0,0,1,0,0|2,1,0]=4 76 B6R1.11 CC(=O)C1CO1 SC-70647 [0,0,0,1,0,0|2,0,1]=4 77 B3R0.1 COC=O SC-19116 [2,0,0,0,0,0|0,0,1]=3 78 B3R0.1 Cl\C=C\Cl SC-65915 [2,0,0,0,0,0|2,0,0]=4 79 B3R0.1 O=CC=O SC-19118 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.2 C=C(C)Br SC-25629 [2,0,0,0,0,0|1,0,0]=3 81 B3R0.2 C=C(F)Br SC-45874 [2,0,0,0,0,0|2,0,0]=4 82 B3R0.2 C=C(F)F SC-80478 [2,0,0,0,0,0|2,0,0]=4 83 B3R0.2 CB(O)O SC-73705 [2,0,0,0,0,0|1,0,1]=4 84 B3R0.2 CC(=O)Cl SC-18262 [2,0,0,0,0,0|1,0,0]=3 85 B3R0.2 CC(=O)O SC-18360 [2,0,0,0,0,0|0,0,0]=2 86 B3R0.2 CC(=O)[O-] SC-18378 [2,0,0,0,0,0|0,0,1]=3 87 B3R0.2 CC(=O)[O-] SC-18482 [2,0,0,0,0,0|0,0,1]=3 88 B3R0.2 CC(=O)[O-] SC-25242 [2,0,0,0,0,0|0,0,1]=3 89 B3R0.2 CC(=O)[O-] SC-27311 [2,0,0,0,0,0|0,0,1]=3 90 B3R0.2 CC(=O)[O-] SC-46276 [2,0,0,0,0,0|0,0,1]=3 91 B3R0.2 CC(=O)[O-] SC-46872 [2,0,0,0,0,0|0,0,1]=3 92 B3R0.2 CC(=O)[O-] SC-80851 [2,0,0,0,0,0|0,0,1]=3 93 B3R0.2 CC(=O)[O-] SC-81149 [2,0,0,0,0,0|0,0,1]=3 94 B3R0.2 CC(=O)[O-] SC-81231 [2,0,0,0,0,0|0,0,1]=3 95 B3R0.2 CC(=O)[O-] SC-81521 [2,0,0,0,0,0|0,0,1]=3 96 B3R0.2 CC(=S)S SC-49352 [2,0,0,0,0,0|0,2,0]=4 97 B3R0.2 CC(C)=O SC-20986 [2,0,0,0,0,0|0,0,1]=3 98 B3R0.2 O=C([O-])O SC-19122 [2,0,0,0,0,0|1,0,0]=3 99 B3R0.2 O=C([O-])[O-] SC-18528 [2,0,0,0,0,0|1,0,1]=4 100 B3R0.2 O=C([O-])[O-] SC-19443 [2,0,0,0,0,0|1,0,1]=4 101 B3R0.2 O=C([O-])[O-] SC-22160 [2,0,0,0,0,0|1,0,1]=4 102 B3R0.2 O=C([O-])[O-] SC-50862 [2,0,0,0,0,0|1,0,1]=4 103 B3R0.2 O=C([O-])[O-] SC-81206 [2,0,0,0,0,0|1,0,1]=4 104 B3R0.2 O=C([O-])[O-] SC-81240 [2,0,0,0,0,0|1,0,1]=4 105 B3R0.2 O=C([O-])[O-] SC-81527 [2,0,0,0,0,0|1,0,1]=4 106 B5R0.3 C=CC(O)CBr SC-69913 [1,1,0,0,0,0|0,0,2]=4 107 B5R0.3 CCC(=O)CN SC-94912 [1,1,0,0,0,0|0,0,2]=4 108 B5R0.3 CNC(=O)CCl SC-27694 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.3 CNC(=O)CO SC-48574 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.3 CNC(=O)NC SC-15870 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.3 O=C(CF)CF SC-49840 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.4 C=CC(C)(C)N SC-36956 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.4 C=CS(=O)(=O)[O-] SC-25619 [1,1,0,0,0,0|2,0,0]=4 114 B5R0.4 C=C[Si](C)(C)Cl SC-21357 [1,1,0,0,0,0|1,1,0]=4 115 B5R0.5 C=C(C)[N+](=O)[O-] SC-66208 [1,1,0,0,0,0|2,0,0]=4 116 B5R0.5 CC(=O)C(=O)[O-] SC-25992 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.5 CC(=O)C(C)Br SC-44476 [1,1,0,0,0,0|0,0,2]=4 119 B5R0.5 O=C(O)C(=O)O SC-52693 [1,1,0,0,0,0|2,0,0]=4 120 B5R0.5 O=C(O)C(=O)O SC-96241 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.5 O=C([O-])C(=O)[O-] SC-18446 [1,1,0,0,0,0|2,0,0]=4 122 B5R0.2 C=CCCC=C SC-65418 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.2 C=CCCC=C SC-91437 [1,1,0,0,0,0|1,0,1]=4 124 B5R0.2 C=COCCC SC-13613 [1,1,0,0,0,0|0,0,1]=3 125 B5R0.2 C\C=C/OCC SC-15783 [1,1,0,0,0,0|0,0,1]=3 126 B5R0.2 O=CNNC=O SC-87631 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.2 CC(=O)OC(Br)CBr SC-14499 [0,2,0,0,0,0|0,0,2]=4 128 B7R0.2 CCC(=O)OC(C)=O SC-96821 [0,2,0,0,0,0|0,0,1]=3 129 B7R0.2 COC(=O)C=C(C)C SC-26810 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.2 COC(=O)CC(C)=O SC-65271 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.2 N=C(N)NC(=O)CCl SC-60350 [0,2,0,0,0,0|2,0,0]=4 132 B7R0.3 CC\C=C\C(=O)OC SC-62851 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.3 CO\C=C\C(=O)OC SC-62260 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.5 C=CCC(N)C(=O)O SC-14116 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.5 CCOC(=O)C(F)F SC-15788 [0,2,0,0,0,0|0,0,2]=4 136 B7R0.5 CCOC(=O)[C@@H](C)N SC-41949 [0,2,0,0,0,0|0,0,2]=4 137 B7R0.5 CCOC(=O)[C@H](C)N SC-50937 [0,2,0,0,0,0|0,0,2]=4 138 B7R0.9 CC(=O)OS(C)(=O)=O SC-21982 [0,2,0,0,0,0|1,0,1]=4 139 B7R0.4 C#CCCOC(C)=O SC-50550 [0,2,0,0,0,0|0,0,2]=4 140 B7R0.4 C=CCOCC(=O)O SC-35140 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.4 COC\C=C/C(C)=O SC-66315 [0,2,0,0,0,0|1,0,1]=4 142 B7R0.6 CC(=O)OCC(=O)Cl SC-17748 [0,2,0,0,0,0|0,0,1]=3 143 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,2,0,0,0,0|0,0,1]=3 144 B7R0.6 O=C(O)\C=C\C(=O)O SC-30089 [0,2,0,0,0,0|2,0,0]=4 145 B7R0.6 O=C([O-])\C=C\C(=O)[O-] SC-80109 [0,2,0,0,0,0|2,0,0]=4 146 B5R1.1 C1=CCC=C1 SC-49087 [1,0,0,1,0,0|1,0,0]=3 147 B5R1.1 C1=COCC1 SC-22656 [1,0,0,1,0,0|0,0,1]=3 148 B5R1.1 C1=CSC=C1 SC-19095 [1,0,0,1,0,0|0,1,1]=4 149 B7R1.1 C#CC1=CC=CO1 SC-51503 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.1 CCC1=NC=CN1 SC-52244 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.1 CNC1=CC=CO1 SC-51291 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.1 COC1=CC=CO1 SC-21425 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.1 COC1=NC=CS1 SC-46438 [0,1,0,1,0,0|1,1,0]=4 154 B7R1.1 ClCC1=CC=CN1 SC-48104 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.1 ClCC1=CC=NO1 SC-52808 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.1 ClCC1=NC=CN1 SC-52626 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.1 NCC1=NC=CS1 SC-27265 [0,1,0,1,0,0|1,1,0]=4 158 B7R1.1 O=CC1=CC=CS1 SC-07484 [0,1,0,1,0,0|0,1,1]=4 159 B7R1.1 OCC1=NC=CN1 SC-53084 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.2 CC1=CC(Br)=CS1 SC-65134 [0,1,0,1,0,0|1,1,0]=4 161 B7R1.2 CC1=CN=C(C)S1 SC-17152 [0,1,0,1,0,0|1,1,0]=4 162 B7R1.2 CC1=NC(Br)=CO1 SC-88625 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.2 CC1=NC(Br)=NO1 SC-48570 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.2 CC1=NC(N)=CN1 SC-87698 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.2 CC1=NN=C(O)O1 SC-84443 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [0,1,0,1,0,0|0,0,2]=4 167 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [0,1,0,1,0,0|0,0,2]=4 168 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [0,1,0,1,0,0|0,0,2]=4 169 B7R1.2 O=C1C=CC(Cl)O1 SC-69817 [0,1,0,1,0,0|0,0,2]=4 170 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.2 O=C1CNC(=O)N1 SC-46970 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.2 O=C1CSC(=S)N1 SC-46616 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [0,1,0,1,0,0|0,0,2]=4 174 B7R1.2 O=C1OCC(F)O1 SC-19199 [0,1,0,1,0,0|1,0,1]=4 175 B7R1.3 CC1=CN=CC=N1 SC-00320 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.3 CC1=NC=CC=N1 SC-80859 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.4 BrC1=C(Br)OC=C1 SC-21219 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.4 CC1=C(Cl)SC=C1 SC-01084 [0,1,0,1,0,0|1,1,0]=4 179 B7R1.4 CC1=C(N)C=NO1 SC-14975 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.4 CC1=C(N)ON=C1 SC-68140 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.4 N[C@H]1CCOC1=O SC-51606 [0,1,0,1,0,0|0,0,2]=4 182 B7R1.4 O=C1CCC=C1Br SC-49478 [0,1,0,1,0,0|1,0,1]=4 183 B7R1.4 O=C1OCC[C@H]1O SC-08904 [0,1,0,1,0,0|0,0,2]=4