0 B5R0.2 C=CCCC=C 7447AF [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C=CCCCN 2628AB [0,0,0,0,0,0|3,0,0]=3 2 B5R0.2 C=CCNC=O 5211AD [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 CC#CCCC 7448AF [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 CCCCON 7308AJ [0,0,0,0,0,0|3,0,0]=3 5 B5R0.2 CCCOC=O 8880AL [0,0,0,0,0,0|0,0,0]=0 6 B5R0.2 CCCSSC 8846AJ [0,0,0,0,0,0|2,1,0]=3 7 B5R0.2 CC\C=C/CC 7431AL [0,0,0,0,0,0|2,0,2]=4 8 B5R0.2 CC\C=C/CO 3214AL [0,0,0,0,0,0|1,0,3]=4 9 B5R0.2 CC\C=C\CC 3771AD [0,0,0,0,0,0|2,0,2]=4 10 B5R0.2 CNCCSC 7146AJ [0,0,0,0,0,0|4,0,0]=4 11 B5R0.2 COCCNN 5901AC [0,0,0,0,0,0|4,0,0]=4 12 B5R0.2 C\C=C\C=C\C 5333AL [0,0,0,0,0,0|2,0,2]=4 13 B5R0.2 N#CCCCBr B613 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.2 N#CCOC=O 7500AL [0,0,0,0,0,0|1,0,1]=2 15 B5R0.2 NCCCCBr 4038AB [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 NCCCCBr Z4484 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 NCCCCCl 9859AB [0,0,0,0,0,0|3,0,1]=4 18 B5R0.2 NOC\C=C\Cl 3995AC [0,0,0,0,0,0|4,0,0]=4 19 B5R0.2 OCCNCO 5459AL [0,0,0,0,0,0|2,0,2]=4 20 B5R0.2 S=C=NCCBr 4566AD [0,0,0,0,0,0|2,1,1]=4 21 B4R0.2 C#CCCI 6186AJ [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 C#CCCN 6476AH [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 C=CCCC 7306AF [1,0,0,0,0,0|1,0,0]=2 24 B4R0.2 C=CCCN 2362AH [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 C=CSCC 7899AL [1,0,0,0,0,0|1,1,0]=3 26 B4R0.2 CCC#CI 4805AL [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 CCCC#N A365 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.2 CCCCC 8942AJ [1,0,0,0,0,0|1,0,1]=3 29 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|1,0,1]=3 30 B4R0.2 CCCCS 4787AL [1,0,0,0,0,0|0,1,1]=3 31 B4R0.2 CCNCC 7648AL [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 CCNCC 7649AL [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 CCOC=N M412 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.2 CNCCN X9276 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 CO[Ca]OC 9618AJ [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 CSCCO U461 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.2 C\C=C\CC 7309AF [1,0,0,0,0,0|1,0,1]=3 39 B4R0.2 C\C=C\OC 1641AL [1,0,0,0,0,0|0,0,3]=4 40 B4R0.2 NCCCN 7173AL [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 NCCCO 5983AL [1,0,0,0,0,0|1,0,2]=4 42 B4R0.2 NCCON W5869 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 NOCCO 5251AJ [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 O=[Sc]O[Sc]=O 8928AF [1,0,0,0,0,0|3,0,0]=4 45 B6R0.1 C=CC(O)CCC I123 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.1 C=COC(=O)CC 7389AF [0,1,0,0,0,0|1,0,1]=3 47 B6R0.1 CCC(C)N=C=O 4892AD [0,1,0,0,0,0|1,0,1]=3 48 B6R0.1 CCC(O)COC 4893AL [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 CCCC(C)CCl 4812AL [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CCC\C(N)=N\O 8990AD [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 C\C=C\C(=O)CC 2730AL [0,1,0,0,0,0|2,0,1]=4 52 B6R0.4 C=COCC(C)C 8720AJ [0,1,0,0,0,0|1,0,0]=2 53 B6R0.4 CC(Br)CCCBr 9465AB [0,1,0,0,0,0|2,0,1]=4 54 B6R0.4 CC(C)CN=C=O 6296AD [0,1,0,0,0,0|1,0,1]=3 55 B6R0.4 CC(O)CCCO 1536AL [0,1,0,0,0,0|1,0,2]=4 56 B6R0.4 CCC#CC(C)=O 6057AL [0,1,0,0,0,0|1,0,1]=3 57 B6R0.4 CCCCC(=N)N 1867AA [0,1,0,0,0,0|2,0,0]=3 58 B6R0.4 CCCCC(=N)N 9567AA [0,1,0,0,0,0|2,0,0]=3 59 B6R0.4 CCCNC(N)=O P685 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.4 CCCOC(N)=O 9471AB [0,1,0,0,0,0|0,0,0]=1 61 B6R0.4 CCCSC(C)=O R568 [0,1,0,0,0,0|0,1,0]=2 62 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|1,1,1]=4 63 B6R0.4 CCNCC(=O)O X5133 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.4 CSCCC(C)=O L760 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.4 C\C=N\NC(N)=O 6977AL [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 N#CCCC(=O)O W3483 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.4 NC(=O)CCCCl Y1653 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.4 NCCCC(N)=O 5556AA [0,1,0,0,0,0|2,0,0]=3 69 B6R0.4 O=C([O-])CNCO 0872AC [0,1,0,0,0,0|3,0,0]=4 70 B6R0.4 O=[N+]([O-])CCCO V2307 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.6 C#CCCCCBr 0285AC [0,1,0,0,0,0|2,0,1]=4 72 B6R0.6 C#CCCCCCl Z1919 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.6 C#CCCCCI 1166AQ [0,1,0,0,0,0|2,0,1]=4 74 B6R0.6 C=CCCCCCl X6224 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.6 CCCC#CCO V0624 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.6 CCCCSCC 7568AF [0,1,0,0,0,0|1,1,1]=4 77 B6R0.6 CCCNCCO 8316AA [0,1,0,0,0,0|1,0,2]=4 78 B6R0.6 CNCCCCO 5794AB [0,1,0,0,0,0|1,0,2]=4 79 B6R0.6 C\C=C/CCCO 7448AL [0,1,0,0,0,0|2,0,0]=3 80 B6R0.6 ICCOCCI 4098AB [0,1,0,0,0,0|2,0,1]=4 81 B6R0.6 NCCOCCN 9093AB [0,1,0,0,0,0|2,0,1]=4 82 B6R0.6 S=C=NCCCCl 9052AD [0,1,0,0,0,0|1,1,1]=4 83 B6R0.6 SCCCCCS 7344AF [0,1,0,0,0,0|1,1,1]=4 84 B6R0.6 SCCOCCS 5152AL [0,1,0,0,0,0|1,1,1]=4 85 B6R1.1 C1=CCNCC1 V3961 [0,0,0,1,0,0|3,0,0]=4 86 B6R1.1 C1=CCOCC1 X4947 [0,0,0,1,0,0|1,0,2]=4 87 B6R1.1 C1CSCCO1 7266AF [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 BrC1CCOC1 W4135 [0,0,0,1,0,0|2,0,1]=4 89 B6R1.2 CC1=COC=N1 Z5040 [0,0,0,1,0,0|1,0,2]=4 90 B6R1.2 CC1=NCCN1 5706AL [0,0,0,1,0,0|3,0,0]=4 91 B6R1.2 CC1=NCCS1 5709AL [0,0,0,1,0,0|2,1,0]=4 92 B6R1.2 CC1CCCN1 2138AL [0,0,0,1,0,0|2,0,1]=4 93 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|2,0,1]=4 94 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.2 ClC1CCCC1 H294 [0,0,0,1,0,0|2,0,1]=4 96 B6R1.2 ClC1CCOC1 X2032 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 ClP1OCCO1 V2040 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.2 N=C1CCCS1 V6112 [0,0,0,1,0,0|1,1,0]=3 99 B6R1.2 N[C@@H]1CCOC1 X8829 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.2 O=C1CC=NN1 Z4130 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 O=C1CCNN1 W3840 [0,0,0,1,0,0|2,0,0]=3 102 B6R1.2 O=C1CCON1 3285AA [0,0,0,1,0,0|2,0,0]=3 103 B6R1.2 O=C1CNCN1 X9977 [0,0,0,1,0,0|2,0,0]=3 104 B6R1.2 O=S1CCCC1 X4814 [0,0,0,1,0,0|2,0,0]=3 105 B6R1.2 S=C1CCCN1 7821AD [0,0,0,1,0,0|1,1,0]=3 106 B6R1.3 CNCC1CC1 X2042 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.3 NCCC1CC1 4787AC [0,0,0,1,0,0|2,0,1]=4 108 B6R1.3 NCCC1CC1 9526AB [0,0,0,1,0,0|2,0,1]=4 109 B6R1.3 O=CNC1CC1 V6779 [0,0,0,1,0,0|1,0,0]=2 110 B6R1.3 S=C=NC1CC1 5743AE [0,0,0,1,0,0|1,1,1]=4 111 B6R1.6 CNC1CCC1 4414AJ [0,0,0,1,0,0|3,0,0]=4 112 B6R1.6 ICC1CCO1 1038AD [0,0,0,1,0,0|2,0,1]=4 113 B6R1.6 NCC1CCC1 W6312 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.6 NCC1CCC1 W6876 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.6 NNC1CCC1 2537AA [0,0,0,1,0,0|3,0,0]=4 116 B6R1.6 NNC1CCC1 W3433 [0,0,0,1,0,0|3,0,0]=4 117 B6R1.6 OCC1CCO1 Z4942 [0,0,0,1,0,0|2,0,1]=4 118 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,0]=3 119 B3R0.1 CCCS 7738AJ [2,0,0,0,0,0|0,1,0]=3 120 B3R0.1 CCNO X5655 [2,0,0,0,0,0|1,0,0]=3 121 B3R0.1 ClCCI 4811AL [2,0,0,0,0,0|2,0,0]=4 122 B3R0.1 FCCI V7660 [2,0,0,0,0,0|2,0,0]=4 123 B3R0.1 NCCN 7518AA [2,0,0,0,0,0|2,0,0]=4 124 B3R0.1 NCCN 8659AJ [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 C#CCC(C)C 8172AJ [1,1,0,0,0,0|1,0,1]=4 126 B5R0.1 C=C(Br)CCO X2989 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.1 C=C(C)CCBr Z4377 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.1 C=C(C)CCC 5700AL [1,1,0,0,0,0|1,0,0]=3 129 B5R0.1 CC(C)CCI X5313 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.1 CC(C)CNN Z1645 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.1 CC(C)OC=O 7262AF [1,1,0,0,0,0|0,0,0]=2 132 B5R0.1 CC(N)CCO Z2685 [1,1,0,0,0,0|0,0,2]=4 133 B5R0.1 CN(C)CC=O 4924AA [1,1,0,0,0,0|1,0,0]=3 134 B5R0.1 CNCC(=O)O 9764AB [1,1,0,0,0,0|1,0,0]=3 135 B5R0.1 CNOC(C)=O 8699AL [1,1,0,0,0,0|1,0,0]=3 136 B5R0.1 COCC(=N)N W4095 [1,1,0,0,0,0|2,0,0]=4 137 B5R0.1 COCC(C)=O U020 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.1 COCC(C)N 0442AC [1,1,0,0,0,0|0,0,1]=3 139 B5R0.1 COC[C@@H](C)N W7467 [1,1,0,0,0,0|0,0,1]=3 140 B5R0.1 CSCC(C)=O Y1373 [1,1,0,0,0,0|1,0,0]=3 141 B5R0.1 CSCS(C)=O E772 [1,1,0,0,0,0|1,1,0]=4 142 B5R0.1 C[C@H](N)CCO W7371 [1,1,0,0,0,0|0,0,2]=4 143 B5R0.1 NCCC(N)=O 6432AB [1,1,0,0,0,0|1,0,0]=3 144 B5R0.1 NCCS(=O)O 0301AQ [1,1,0,0,0,0|1,1,0]=4 145 B5R0.1 O=C(O)CCI 7031AF [1,1,0,0,0,0|1,0,0]=3 146 B5R0.3 C=CC(C)CC 6094AL [1,1,0,0,0,0|1,0,0]=3 147 B5R0.3 C=CC(O)CC 7733AJ [1,1,0,0,0,0|1,0,0]=3 148 B5R0.3 C=CC(O)CO V0531 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.3 C=C[C@@H](N)CO 3384AB [1,1,0,0,0,0|2,0,0]=4 150 B5R0.3 C=C[C@H](N)CO W4532 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.3 CCC(C)C=O 7969AJ [1,1,0,0,0,0|0,0,0]=2 152 B5R0.3 CCC(C)CC 6117AL [1,1,0,0,0,0|1,0,1]=4 153 B5R0.3 CCC(C)CI 4886AL [1,1,0,0,0,0|1,0,1]=4 154 B5R0.3 CCC(C)NC 9511AE [1,1,0,0,0,0|1,0,1]=4 155 B5R0.3 CCC(C)NN 0007AD [1,1,0,0,0,0|2,0,0]=4 156 B5R0.3 CCC(O)CN 6349AA [1,1,0,0,0,0|1,0,1]=4 157 B5R0.3 CC[C@H](O)CO 1422AC [1,1,0,0,0,0|0,0,2]=4 158 B5R0.3 CON(C)C=O 3547AB [1,1,0,0,0,0|2,0,0]=4 159 B5R0.3 O=CC(O)CO 6635AH [1,1,0,0,0,0|1,0,0]=3 160 B7R0.2 CCC(C)OC(C)=O 7525AF [0,2,0,0,0,0|0,0,0]=2 161 B7R0.2 CCC(N)CC(=O)O W4035 [0,2,0,0,0,0|1,0,0]=3 162 B7R0.2 CCN(C)CC(=O)O 9048AE [0,2,0,0,0,0|2,0,0]=4 163 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [0,2,0,0,0,0|1,0,0]=3 164 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.2 N[C@@H](CO)CC(=O)O W3594 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.2 N[C@H](CO)CC(=O)O Z5676 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.3 C=CCCC(Br)CBr 4446AL [0,2,0,0,0,0|2,0,0]=4 168 B7R0.3 C=CCOC(=O)OC Z3261 [0,2,0,0,0,0|0,0,2]=4 169 B7R0.3 CCC(O)\C=C\C=O 1086AH [0,2,0,0,0,0|1,0,0]=3 170 B7R0.3 CCCCC(=O)CC 7786AF [0,2,0,0,0,0|1,0,0]=3 171 B7R0.3 CCCCC(=O)NN X5269 [0,2,0,0,0,0|1,0,0]=3 172 B7R0.3 CCCNC(=O)CN V6930 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.3 CCCOC(=O)CBr U694 [0,2,0,0,0,0|0,0,0]=2 174 B7R0.3 CCCOC(=O)CC 7524AF [0,2,0,0,0,0|0,0,0]=2 175 B7R0.3 CCOCC(O)CCl 5717AB [0,2,0,0,0,0|1,0,1]=4 176 B7R0.3 COC(=O)CCCN 3563AL [0,2,0,0,0,0|2,0,0]=4 177 B7R0.3 COC(=O)CNC=O 3413AB [0,2,0,0,0,0|1,0,1]=4 178 B7R0.3 NNC(=O)CCCO 2288AE [0,2,0,0,0,0|2,0,0]=4 179 B7R0.5 CC(=O)N(C)CCO 4889AD [0,2,0,0,0,0|2,0,0]=4 180 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [0,2,0,0,0,0|1,0,0]=3 181 B7R0.5 COCC(N)C(=O)O Z1926 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.5 CSC[C@H](N)C(=O)O V1222 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.5 NC(CCS)C(=O)O D600 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.5 NCCC(N)C(=O)O X3169 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [0,2,0,0,0,0|2,0,0]=4 186 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|2,0,0]=4 187 B7R0.7 CCCC(C)CC=S U658 [0,2,0,0,0,0|1,1,0]=4 188 B7R0.7 CCOC(C)OCC U086 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.4 CC(=O)CCCCCl D718 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.4 CCCCSC(C)=O 3195AL [0,2,0,0,0,0|0,1,0]=3 191 B7R0.4 CCCOCC(=O)O 5344AE [0,2,0,0,0,0|0,0,0]=2 192 B7R0.4 CNCCCC(=O)O 2115AA [0,2,0,0,0,0|1,0,0]=3 193 B7R0.4 COCCCC(=O)O 2917AB [0,2,0,0,0,0|1,0,0]=3 194 B7R0.4 COCCNC(N)=S 7626AC [0,2,0,0,0,0|1,1,0]=4 195 B7R0.4 N#CCCCC(=O)O W5958 [0,2,0,0,0,0|1,0,1]=4 196 B7R0.4 NC(=O)CSCCO 6778AD [0,2,0,0,0,0|1,1,0]=4 197 B7R0.4 NCCCCC(=O)O 9495AB [0,2,0,0,0,0|1,0,0]=3 198 B7R0.4 O=C(O)COCCCl Y5074 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.6 C=C(C)CCC(=O)O 0114AA [0,2,0,0,0,0|1,0,1]=4 200 B7R0.6 CC(=O)CNC(C)=O 2096AC [0,2,0,0,0,0|1,0,1]=4 201 B7R0.6 CC(C)OCC(=O)O 0549AE [0,2,0,0,0,0|2,0,0]=4 202 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [0,2,0,0,0,0|1,0,0]=3 203 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,2,0,0,0,0|2,0,0]=4 204 B7R0.8 CCCCS(N)(=O)=O V5100 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.8 CCCNS([NH-])(=O)=O 0006AP [0,2,0,0,0,0|2,0,0]=4 206 B7R0.8 CCCOS(C)(=O)=O 8882AL [0,2,0,0,0,0|1,0,0]=3 207 B7R0.8 O=COCC(F)(F)F 5076AL [0,2,0,0,0,0|1,0,0]=3 208 B7R0.1 C=CCSSCCC O398 [0,2,0,0,0,0|1,1,0]=4 209 B7R0.1 CCCCCOC=O 7518AF [0,2,0,0,0,0|0,0,0]=2 210 B7R0.1 CCC\C=C/CCC 7451AL [0,2,0,0,0,0|2,0,0]=4 211 B7R0.1 CC\C=C/CCCO 7447AL [0,2,0,0,0,0|2,0,0]=4 212 B7R0.1 COCCCN=C=O X6790 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.1 O=COCCOC=O 7217AF [0,2,0,0,0,0|0,0,1]=3 214 B5R1.1 C1=CCCC1 7379AF [1,0,0,1,0,0|1,0,0]=3 215 B5R1.1 C1CCCC1 8499AJ [1,0,0,1,0,0|1,0,1]=4 216 B5R1.2 CC1CNC1 W9623 [1,0,0,1,0,0|1,0,1]=4 217 B5R1.2 ClC1CCC1 Z7366 [1,0,0,1,0,0|1,0,1]=4 218 B5R1.2 NC1COC1 6668AB [1,0,0,1,0,0|1,0,1]=4 219 B5R1.2 O=C1CCN1 W9581 [1,0,0,1,0,0|1,0,0]=3 220 B5R1.2 O=C1CSC1 Z4430 [1,0,0,1,0,0|1,0,0]=3 221 B5R1.3 C=CC1CO1 7293AL [1,0,0,1,0,0|2,0,0]=4 222 B5R1.3 CC[C@H]1CO1 7482AJ [1,0,0,1,0,0|0,0,1]=3 223 B5R1.3 NCC1CC1 Y1835 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.1 COC1=NCCC1 7443AB [0,1,0,1,0,0|1,0,1]=4 225 B7R1.1 ICC1CCOC1 3884AL [0,1,0,1,0,0|1,0,1]=4 226 B7R1.1 N#CC1=CCCC1 3193AB [0,1,0,1,0,0|2,0,0]=4 227 B7R1.1 O=CC1=CCCC1 Z4945 [0,1,0,1,0,0|1,0,0]=3 228 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,1,0,1,0,0|1,0,1]=4 229 B7R1.2 CC1CCC(=O)N1 1659AA [0,1,0,1,0,0|1,0,0]=3 230 B7R1.2 CC1COC(=O)N1 5156AD [0,1,0,1,0,0|0,0,0]=2 231 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [0,1,0,1,0,0|0,0,0]=2 232 B7R1.2 C[C@H]1COC(=O)N1 5440AB [0,1,0,1,0,0|0,0,0]=2 233 B7R1.2 O=C1CNC(=O)O1 1066AB [0,1,0,1,0,0|1,0,1]=4 234 B7R1.2 O=C1OCC(Cl)O1 E933 [0,1,0,1,0,0|1,0,0]=3 235 B7R1.3 BrC1CCCOC1 X9769 [0,1,0,1,0,0|1,0,1]=4 236 B7R1.3 BrC1CCOCC1 W4892 [0,1,0,1,0,0|1,0,1]=4 237 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.3 CC1COCCN1 W6211 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.3 C[C@@H]1CNCCO1 8974AH [0,1,0,1,0,0|1,0,1]=4 240 B7R1.3 C[C@@H]1CNCCO1 W3662 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.3 C[C@@H]1COCCN1 X4857 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.3 C[C@H]1CNCCO1 W8218 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.3 C[C@H]1COCCN1 X4748 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.3 NC1CCCOC1 X9447 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.3 N[C@@H]1CCCOC1 5857AA [0,1,0,1,0,0|1,0,1]=4 246 B7R1.3 O=C1CCCNC1 7001AB [0,1,0,1,0,0|1,0,0]=3 247 B7R1.3 O=C1CCCSC1 Z4344 [0,1,0,1,0,0|0,1,0]=3 248 B7R1.3 O=C1CCNCC1 5781AB [0,1,0,1,0,0|1,0,0]=3 249 B7R1.3 O=C1COCCO1 3182AB [0,1,0,1,0,0|0,0,0]=2 250 B7R1.4 BrC1=C(Br)CCC1 U121 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|1,0,0]=3 252 B7R1.4 CC1CCOC1=O W3659 [0,1,0,1,0,0|0,0,0]=2 253 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,1,0,0|0,1,0]=3 254 B7R1.4 CC1SCCC1=O 6512AA [0,1,0,1,0,0|1,0,0]=3 255 B7R1.4 CN1CCCC1=S 4914AL [0,1,0,1,0,0|1,1,0]=4 256 B7R1.4 CN1CCSC1=S 9921AA [0,1,0,1,0,0|0,2,0]=4 257 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,1,0,0|1,0,0]=3 258 B7R1.4 NC1CONC1=O Z5032 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.4 O=C1CCC=C1O X8732 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.4 O=C1OCCC1O 0071AB [0,1,0,1,0,0|0,0,0]=2 261 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,1,0,0|0,0,0]=2 262 B7R1.6 CCOC1CNC1 V6478 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.25 CC1(C=O)COC1 6969AC [0,1,0,1,0,0|2,0,0]=4 264 B7R1.7 ClCCOC1CC1 Y8014 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.18 CC(=O)C1CCC1 9513AD [0,1,0,1,0,0|1,0,0]=3 266 B7R1.18 N=C(N)C1CCC1 1131AC [0,1,0,1,0,0|2,0,0]=4 267 B7R1.18 O=C(O)C1CCN1 X2014 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.18 O=C(O)C1COC1 X3417 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.18 O=C(O)[C@@H]1CCN1 D297 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.18 O=C(O)[C@H]1CCN1 Z4994 [0,1,0,1,0,0|2,0,0]=4