0 B5R0.1 CC(=O)\C=N\O CS11520 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC(=O)\C=N\O CS18968 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(C)=CCBr MC41900 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC(C)CC=O CS11530 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 CC(C)SC#N MC41971 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(N)CCO CS14355 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(N)CCO CS14356 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 CC(N)CCO CS22096 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CC(O)CON CS17735 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CCCC(C)=O CS21731 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.1 CN(C)CC=O CS17734 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CN(C)CCBr CS10949 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CN(C)CCCl CS14471 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CN(C)CCCl CS17225 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CN(C)CCN CS18603 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 CN(C)CCO CS11733 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 COCC(C)N CS15401 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 COCC(C)O CS20249 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 COCC(C)O CS20309 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 COCC(C)O CS20741 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 C\C=C\B(O)O MC116392 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 C\C=C\C(=O)O MC41882 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 C#CC(C)O MC427719 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 C=CC(N)=O MC41857 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC(C)C#N MC41920 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(C)NN CS11525 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(C)ON CS13668 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CC(C)[Zn]Br MC121350 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CC(Cl)CO CS20251 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(Cl)CO MC428270 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CC(N)CN CS20323 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 CC(N)CN MC10147 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CC(N)CO CS14182 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CC(N)CO CS19476 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 CC(N)CO CS21310 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(O)CCl MC20696 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(O)CCl MC20697 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(O)CN CS14075 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(O)CO MC20330 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.2 C=COCC MC41915 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.2 CCCCO MC41869 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 CCC[Zn]Br MC121348 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 CCNCC CS11240 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.2 CCOC=N MC33024 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 CCOC=O MC41912 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.2 CC[Zn]CC MC10752 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.2 CNCCO CS20910 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 COCCCl MC428007 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.2 C\C=C\C=O MC41879 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.1 CCC(C)CCBr MC112369 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 CCCC(C)CBr MC112368 [0,1,0,0,0,0|0,0,2]=3 56 B6R0.1 CCCC(O)CO CS20495 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 COC(=O)\C=C\I MC20613 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 C\C=C\C(=O)OC MC41953 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.2 CC(Br)CC(=O)O MC106689 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.2 CC(Br)CC(N)=S MC106193 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.2 CC(C)=CC(=O)O CS14947 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.2 CC(C)CB(O)O CS22276 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.2 CC(C)PC(C)C MC444830 [0,1,0,0,0,0|1,0,1]=3 65 B6R0.2 CC(N)CC(=O)O CS19028 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.2 CC(N)CC(=O)O CS20346 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.2 CC(N)CC(=O)O MC439098 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.2 CC(O)CC(=O)O MC426020 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.2 CC(O)CC(=O)O MC426021 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.2 CN(C)CC(=O)O CS13413 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.2 CN(C)CC(N)=S CS15155 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 CC(C)C(C)CO MC113312 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.3 CC(C)C(N)CO CS17224 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.3 CC(C)C(N)CO CS22659 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.3 CN(C)C(=O)CBr CS14025 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CN(C)C(=O)CN CS21306 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.3 CN(C)C(=O)CN MC116188 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 CN(C)C(=O)CN MC437713 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 CNC(=O)C(C)N MC436151 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.3 COC(=O)C(C)Br CS14958 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.3 COC(=O)C(C)C MC41931 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.3 COC(=O)C(C)Cl CS15798 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.3 COC(=O)C(C)N CS14901 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.3 COC(=O)C(C)N CS16663 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.3 COC(=O)C(C)N CS22242 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.3 COC(=O)C(C)O MC20343 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 COC(=O)C(F)F MC32025 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.3 C\C=C(\C)B(O)O MC443605 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.4 CC(C)CCC=O MC428026 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.4 CC(C)CCCO MC428025 [0,1,0,0,0,0|0,0,2]=3 94 B6R0.4 CC(C)NCCN MC20461 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.4 CN(C)CCCBr CS22184 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.4 CN(C)CCCCl CS13505 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.4 CN(C)CCCCl CS14943 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.4 CN(C)\C=C\C=O MC42238 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.4 CNCCN(C)C CS11723 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.4 CNCCN(C)C CS15131 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.4 CO\C=C\C(C)=O MC33352 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.5 CC(C)(C)CC=O MC20142 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.5 CC(C)(C)CCO CS21905 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.5 CC(C)(F)CCN MC116087 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.5 CC(C)(O)CCBr CS15788 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.5 CC(C)(O)CON MC427561 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.5 C[Si](C)(C)C=[N+]=[N-] MC116193 [0,1,0,0,0,0|2,1,0]=4 108 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.2 CC1=CC=CN1 CS21660 [0,0,0,1,0,0|1,0,2]=4 111 B6R1.2 CC1=CC=CO1 MC41695 [0,0,0,1,0,0|1,0,2]=4 112 B6R1.2 CC1=CC=CS1 CS21701 [0,0,0,1,0,0|1,0,2]=4 113 B6R1.2 CC1=CC=NN1 MC21108 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 CC1=CNC=C1 MC20689 [0,0,0,1,0,0|1,0,2]=4 115 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,1,0,0|1,0,2]=4 116 B6R1.2 CC1=NNC=C1 CS13720 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.2 CC1=NOC=C1 CS11533 [0,0,0,1,0,0|2,0,1]=4 118 B6R1.2 CC1CCCN1 CS18299 [0,0,0,1,0,0|1,0,1]=3 119 B6R1.2 CC1CCCN1 CS18800 [0,0,0,1,0,0|1,0,1]=3 120 B6R1.2 CC1CCCN1 CS19735 [0,0,0,1,0,0|1,0,1]=3 121 B6R1.2 CC1CCCN1 CS21699 [0,0,0,1,0,0|1,0,1]=3 122 B6R1.2 CC1CCCN1 CS21700 [0,0,0,1,0,0|1,0,1]=3 123 B6R1.2 CC1CCCN1 MC428345 [0,0,0,1,0,0|1,0,1]=3 124 B6R1.2 CC1CCCO1 MC20580 [0,0,0,1,0,0|1,0,1]=3 125 B6R1.2 CN1C=CC=C1 CS20770 [0,0,0,1,0,0|1,0,2]=4 126 B6R1.2 CN1C=CC=N1 CS19419 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 CN1C=CN=C1 CS19753 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 CN1C=CN=N1 CS20743 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 FC1CCNC1 CS12894 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 FC1CCNC1 CS14870 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.2 FC1CCNC1 MC31003 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 IC1CCOC1 MC101926 [0,0,0,1,0,0|2,0,1]=4 133 B6R1.2 NC1CC=CC1 CS19415 [0,0,0,1,0,0|1,0,2]=4 134 B6R1.2 NC1CCOC1 CS12010 [0,0,0,1,0,0|2,0,1]=4 135 B6R1.2 NC1CCOC1 CS13003 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.2 NC1CCOC1 CS20366 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 NC1CCOC1 MC443324 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.2 NC1CCOC1 MC444237 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.2 OC1CC=CC1 MC10342 [0,0,0,1,0,0|1,0,2]=4 140 B6R1.2 OC1CCNC1 CS16166 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 OC1CCNC1 CS16635 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.2 OC1CCNC1 CS16650 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.2 OC1CCNC1 CS17407 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 OC1CCNC1 CS21757 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 OC1CCOC1 CS20284 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 OC1CCOC1 MC42235 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.2 OC1CCOC1 MC444279 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.3 N#CCC1CC1 MC433947 [0,0,0,1,0,0|1,0,2]=4 149 B6R1.3 NCCC1CC1 MC425320 [0,0,0,1,0,0|1,0,2]=4 150 B6R1.3 NOCC1CC1 MC107884 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.3 O=C=NC1CC1 MC418391 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.3 OCCC1CC1 MC433884 [0,0,0,1,0,0|1,0,2]=4 153 B6R1.5 CC1CC(N)C1 MC105778 [0,0,0,1,0,0|1,0,2]=4 154 B6R1.5 CN1CC(N)C1 MC444125 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.5 CN1CC(O)C1 MC444271 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.5 CN1CC(O)C1 MC444272 [0,0,0,1,0,0|2,0,1]=4 157 B6R1.5 NC1CC(=O)C1 MC444232 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.5 O=C1CC(F)C1 MC104154 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.10 CC1(F)CNC1 MC102153 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.10 CC1(N)COC1 CS14859 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.10 CC1(N)COC1 MC444292 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.10 CC1(N)CSC1 MC113158 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.10 CC1(O)CNC1 CS15502 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.11 CC(I)C1CC1 MC429998 [0,0,0,1,0,0|1,0,2]=4 165 B6R1.11 CC(N)C1CC1 MC428207 [0,0,0,1,0,0|1,0,2]=4 166 B3R0.1 C=CCBr MC41858 [2,0,0,0,0,0|1,0,0]=3 167 B3R0.1 C=C[Mg]Br MC10627 [2,0,0,0,0,0|2,0,0]=4 168 B3R0.1 CCC#N MC41959 [2,0,0,0,0,0|1,0,1]=4 169 B3R0.1 CCON CS11314 [2,0,0,0,0,0|2,0,0]=4 170 B3R0.1 CC[Zn]Br MC116063 [2,0,0,0,0,0|2,0,0]=4 171 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|0,0,0]=2 174 B3R0.1 Cl\C=C\Cl MC41969 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.2 C=C(C)Br MC440274 [2,0,0,0,0,0|1,0,1]=4 176 B3R0.2 CC(C)Br MC41864 [2,0,0,0,0,0|1,0,0]=3 177 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.3 CCC(C)[Zn]Br MC121335 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.3 CCC(N)CO CS15119 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.3 CCC(N)CO MC10528 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.3 CCC(N)CO MC20718 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.3 CCC(N)CO MC436159 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.3 CCC(O)CO CS15622 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.3 COC(C)CN CS17733 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.3 COC(C)CO CS12306 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.3 O=CC(O)CO MC107096 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.3 O=CC(O)CO MC20361 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.3 O=CC(O)CO MC20362 [1,1,0,0,0,0|2,0,0]=4 189 B5R0.4 CC(C)(C)C#N MC10368 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.4 CC(C)(C)C=O MC20070 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.4 CC(C)(C)CN CS11775 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.4 CC(C)(C)ON CS11824 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.4 CC(C)(C)[Zn]Br MC121336 [1,1,0,0,0,0|2,0,0]=4 194 B5R0.4 CC(C)(F)CO MC429446 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.4 CC(C)(N)C#N CS15395 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.4 CC(C)(N)CN MC443126 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.4 CC(C)(O)CN CS20593 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.4 CC(C)(S)CN MC434042 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.5 CC(Br)C(=O)O MC20444 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.5 CC(C)C(=O)Cl MC40490 [1,1,0,0,0,0|1,0,0]=3 201 B5R0.5 CC(C)C(N)=O CS21696 [1,1,0,0,0,0|1,0,0]=3 202 B5R0.5 CC(Cl)C(=O)O MC20315 [1,1,0,0,0,0|2,0,0]=4 203 B5R0.5 CC(Cl)C(=O)O MC436860 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.5 CC(F)C(=O)O MC429445 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.5 CC(N)C(=O)O CS18992 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.5 CC(N)C(=O)O CS19143 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.5 CC(N)C(=O)O MC428047 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.5 CC(N)C(N)=O CS15732 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.5 CC(N)C(N)=O CS22529 [1,1,0,0,0,0|2,0,0]=4 210 B5R0.5 CC(N)C(N)=O MC436152 [1,1,0,0,0,0|2,0,0]=4 211 B5R0.5 CC(N)C(N)=O MC436153 [1,1,0,0,0,0|2,0,0]=4 212 B5R0.5 CC(O)C(=O)O MC437817 [1,1,0,0,0,0|2,0,0]=4 213 B5R0.5 CN(C)C(=O)Cl MC428263 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.5 CN(C)C(N)=S MC427479 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.2 C#C\C=C\CO MC428290 [1,1,0,0,0,0|0,0,2]=4 216 B5R0.2 CCCCCBr CS20657 [1,1,0,0,0,0|0,0,2]=4 217 B5R0.2 CCOCCBr CS21396 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.2 CCOCCCl MC428008 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.2 CNCCCO CS14200 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.2 CNCCNC CS15116 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.2 CNCCOC MC427349 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.2 COCCCBr CS20649 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.2 COCCCO CS20039 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.2 COCCOC MC41899 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.2 COCCOC MC445008 [1,1,0,0,0,0|1,0,1]=4 226 B5R0.2 C\C=C\C[Pd]Cl MC444919 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.2 ClC\C=C\CCl MC10276 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.2 ClC\C=C\CCl MC10277 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.2 OC\C=C\CCl MC10262 [1,1,0,0,0,0|1,0,0]=3 230 B5R0.2 OC\C=C\CO MC41968 [1,1,0,0,0,0|1,0,0]=3 231 B5R0.2 OC\C=C\CO MC424009 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.2 CC(C)CC(N)CO CS14853 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.2 CC(C)CC(N)CO CS19307 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.2 CC(C)OC(=O)CO CS11522 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.2 COC(=O)CC(C)O CS11584 [0,2,0,0,0,0|1,0,1]=4 237 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [0,2,0,0,0,0|1,0,0]=3 239 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,2,0,0,0,0|0,0,2]=4 242 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|0,0,1]=3 243 B7R0.5 CCOC(=O)C(C)F MC439605 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.5 CCOC(=O)C(C)N CS15404 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.5 CCOC(=O)C(C)N MC436160 [0,2,0,0,0,0|1,0,1]=4 246 B7R0.5 CCOC(=O)C(C)O CS20075 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.5 CNCC(=O)N(C)C MC438152 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.10 CCC(N)C(=O)OC MC436010 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.10 CNC(C)C(=O)OC MC437898 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.10 COC(=O)C(C)CBr MC428281 [0,2,0,0,0,0|1,0,0]=3 252 B7R0.10 COC(=O)C(F)CO CS17081 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.10 COC(=O)C(N)CCl CS22615 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.10 COC(=O)C(N)CCl MC418493 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.10 COC(=O)C(N)CCl MC436854 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.10 COC(=O)C(N)CO CS16778 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.10 COC(=O)C(N)CO CS16785 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.10 COC(=O)C(N)CO CS22621 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.10 COC(=O)C(N)CS CS13863 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.10 COC(=O)C(N)CS MC110561 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.10 COC(=O)C(O)CO MC429048 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.11 COCC(C)(C)CN MC418388 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.11 COCC(C)(C)CN MC431431 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.12 COC(CSC)OC MC10796 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.9 CC(C)(C)OC(N)=O CS11993 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.9 CC(C)OS(C)(=O)=O MC445527 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,2,0,0,0,0|0,0,2]=4 271 B7R0.9 CN(C)CC(C)(C)O MC41894 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.16 CC(C)C(=O)N(C)C MC41952 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.16 CC(C)C(N)C(C)C CS17730 [0,2,0,0,0,0|0,0,2]=4 281 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.16 CN(C)C(Cl)=[N+](C)C MC439144 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.16 CN(C)C(F)=[N+](C)C MC438191 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.14 COC(=O)C(C)(C)F CS11604 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.14 COC(=O)C(C)(C)N CS17071 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.6 CC(C)CCC(C)N MC446673 [0,2,0,0,0,0|0,0,2]=4 294 B5R1.2 CC1CNC1 CS13089 [1,0,0,1,0,0|1,0,1]=4 295 B5R1.2 OC1CCC1 CS11176 [1,0,0,1,0,0|1,0,1]=4 296 B5R1.3 BrCC1CC1 MC10481 [1,0,0,1,0,0|1,0,1]=4 297 B5R1.3 Br[Zn]C1CC1 MC121325 [1,0,0,1,0,0|2,0,0]=4 298 B5R1.3 C=CC1CO1 MC428261 [1,0,0,1,0,0|1,0,0]=3 299 B5R1.3 CCC1CO1 MC20699 [1,0,0,1,0,0|1,0,1]=4 300 B5R1.3 CCC1CO1 MC428314 [1,0,0,1,0,0|1,0,1]=4 301 B5R1.3 CNC1CC1 CS13160 [1,0,0,1,0,0|1,0,0]=3 302 B5R1.3 ClCC1CC1 CS19956 [1,0,0,1,0,0|1,0,1]=4 303 B5R1.3 N#CC1CC1 MC41837 [1,0,0,1,0,0|1,0,1]=4 304 B5R1.3 NCC1CC1 CS18907 [1,0,0,1,0,0|1,0,1]=4 305 B5R1.3 NNC1CC1 CS15677 [1,0,0,1,0,0|2,0,0]=4 306 B5R1.3 NNC1CC1 CS18095 [1,0,0,1,0,0|2,0,0]=4 307 B5R1.3 O=CC1CC1 MC428327 [1,0,0,1,0,0|1,0,0]=3 308 B5R1.3 OCC1CC1 CS19620 [1,0,0,1,0,0|1,0,1]=4 309 B5R1.5 CC1(C)CO1 MC41673 [1,0,0,1,0,0|1,0,0]=3 310 B5R1.5 CC1(N)CC1 CS15074 [1,0,0,1,0,0|1,0,1]=4 311 B5R1.1 C1=CCNC1 MC10278 [1,0,0,1,0,0|1,0,0]=3 312 B5R1.1 C1CCNC1 MC41708 [1,0,0,1,0,0|1,0,1]=4 313 B5R1.1 C1CNNC1 CS16750 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.1 BrCC1CCCC1 MC20145 [0,1,0,1,0,0|0,0,2]=4 315 B7R1.1 BrCC1CCCN1 MC114648 [0,1,0,1,0,0|1,0,1]=4 316 B7R1.1 BrCC1CCCO1 MC106365 [0,1,0,1,0,0|1,0,1]=4 317 B7R1.1 CCC1CCCN1 MC110951 [0,1,0,1,0,0|1,0,1]=4 318 B7R1.1 CNC1CCOC1 MC104966 [0,1,0,1,0,0|1,0,1]=4 319 B7R1.1 CNC1CCOC1 MC105597 [0,1,0,1,0,0|1,0,1]=4 320 B7R1.1 COC1CCCN1 MC41692 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.1 COC1CCNC1 CS12136 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.1 COC1CCNC1 CS12137 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.1 COC1CCNC1 CS22350 [0,1,0,1,0,0|1,0,1]=4 324 B7R1.1 FCC1CCCN1 MC100102 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.1 FCC1CCNC1 MC103199 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.1 NCC1CCCC1 CS14873 [0,1,0,1,0,0|0,0,2]=4 327 B7R1.1 NCC1CCCN1 CS15469 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.1 NCC1CCCN1 CS15745 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.1 NCC1CCNC1 MC431426 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.1 NCC1CCOC1 MC102307 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.1 NCC1CCOC1 MC103862 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.1 NCC1CCOC1 MC115675 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.1 NCC1CCOC1 MC121256 [0,1,0,1,0,0|1,0,1]=4 334 B7R1.1 OCC1CC=CC1 CS20734 [0,1,0,1,0,0|0,0,2]=4 335 B7R1.1 OCC1CCCC1 CS11185 [0,1,0,1,0,0|0,0,2]=4 336 B7R1.1 OCC1CCCN1 CS17003 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.1 OCC1CCCN1 CS22640 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.1 OCC1CCCO1 MC20392 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.1 OCC1CCNC1 CS11284 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.1 OCC1CCNC1 CS16764 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.1 OCC1CCNC1 CS18341 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.1 OCC1CCNC1 MC102405 [0,1,0,1,0,0|1,0,1]=4 343 B7R1.1 OCC1CCNC1 MC115660 [0,1,0,1,0,0|1,0,1]=4 344 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,1,0,0|1,0,1]=4 345 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.2 BrC1C=CC(Br)C1 MC110604 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,1,0,1,0,0|0,0,1]=3 349 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.2 CC1=CC(C)=NN1 CS19982 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.2 CC1=CC=C(C)N1 CS21153 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.2 CC1=CN(C)C=N1 MC111221 [0,1,0,1,0,0|1,0,1]=4 354 B7R1.2 CC1=CN(C)N=C1 CS20542 [0,1,0,1,0,0|1,0,1]=4 355 B7R1.2 CC1=CN(C)N=N1 MC103246 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.2 CC1=CN=C(C)S1 CS22782 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.2 CC1=CNC(C)=N1 CS21117 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.2 CC1=CSC(C)=N1 CS22781 [0,1,0,1,0,0|1,0,1]=4 359 B7R1.2 CC1=NC(C)CO1 MC428186 [0,1,0,1,0,0|1,0,0]=3 360 B7R1.2 CC1=NN(C)C=C1 CS20520 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.2 CC1CCC(C)N1 MC102818 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.2 CC1COC(=O)N1 CS14300 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.2 CC1COC(=O)O1 MC428298 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,1,0,0|1,0,1]=4 365 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,1,0,0|1,0,1]=4 366 B7R1.3 CC1CCCCN1 MC20418 [0,1,0,1,0,0|0,0,2]=4 367 B7R1.3 CC1CCCNC1 CS16133 [0,1,0,1,0,0|0,0,2]=4 368 B7R1.3 CC1CCCNC1 MC425227 [0,1,0,1,0,0|0,0,2]=4 369 B7R1.3 CC1CNCCN1 CS13503 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.3 CC1CNCCN1 CS17164 [0,1,0,1,0,0|1,0,1]=4 371 B7R1.3 CC1CNCCN1 CS17167 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.3 CC1CNCCO1 CS14515 [0,1,0,1,0,0|1,0,1]=4 373 B7R1.3 CC1CNCCO1 CS14521 [0,1,0,1,0,0|1,0,1]=4 374 B7R1.3 CC1CNCCO1 CS19299 [0,1,0,1,0,0|1,0,1]=4 375 B7R1.3 CC1CNCCO1 CS21692 [0,1,0,1,0,0|1,0,1]=4 376 B7R1.3 CC1CNCCO1 MC444038 [0,1,0,1,0,0|1,0,1]=4 377 B7R1.3 CC1CNCCO1 MC444192 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.3 CC1COCCN1 CS14856 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.3 CC1COCCN1 CS20285 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.3 CC1COCCN1 CS22371 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.3 CC1COCCN1 CS22413 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.3 CC1COCCN1 MC20820 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.3 CN1CC=CCC1 CS20742 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.3 O=C1C=CCCC1 MC41883 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.3 O=C1C=CCCN1 CS15771 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.3 O=C1C=CCOC1 CS17023 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.4 CC1=CC=NN1C CS19266 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.4 CC1COCC1N MC444024 [0,1,0,1,0,0|1,0,1]=4 389 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,1,0,0|1,0,1]=4 397 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.6 COC=C1COC1 MC113188 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.6 COCC1CCN1 MC103809 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.6 COCC1CCN1 MC103810 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.6 COCC1CNC1 MC444220 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.10 CN1CC(CBr)C1 MC106288 [0,1,0,1,0,0|1,0,1]=4 406 B7R1.10 CNC1CN(C)C1 MC103651 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.10 NCC1CC(=O)C1 MC444212 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.10 NCC1CC(=O)N1 MC111758 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.10 O=C1CC(CI)N1 MC111759 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.21 CCOC1(O)CC1 CS16017 [0,1,0,1,0,0|1,0,1]=4 412 B7R1.22 COC(=O)C1CC1 MC41839 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.22 N=C(NO)C1CC1 CS11781 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.25 CC1(CBr)COC1 CS22179 [0,1,0,1,0,0|1,0,1]=4 416 B7R1.25 CC1(CN)CCC1 MC104689 [0,1,0,1,0,0|0,0,2]=4 417 B7R1.25 CC1(CN)CCC1 MC121097 [0,1,0,1,0,0|0,0,2]=4 418 B7R1.25 CC1(CN)CNC1 MC102409 [0,1,0,1,0,0|1,0,1]=4 419 B7R1.25 CC1(CN)COC1 CS22390 [0,1,0,1,0,0|1,0,1]=4 420 B7R1.25 CC1(CO)CCO1 MC102954 [0,1,0,1,0,0|1,0,1]=4 421 B7R1.25 CC1(CO)COC1 CS16968 [0,1,0,1,0,0|1,0,1]=4 422 B7R1.25 CC1(CO)CSC1 MC121099 [0,1,0,1,0,0|1,0,1]=4 423 B7R1.25 CC1(CS)COC1 MC115780 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.25 CNC1(C)COC1 MC115767 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.25 COC1(C)CNC1 MC112993 [0,1,0,1,0,0|1,0,1]=4 426 B7R1.12 CC1CC1C(=O)O MC100841 [0,1,0,1,0,0|1,0,1]=4 427 B7R1.12 CC1CC1C(=O)O MC103281 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.12 CC1CC1C(N)=O MC425328 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.16 CC1(C)CC(Br)C1 MC115986 [0,1,0,1,0,0|0,0,2]=4 430 B7R1.20 N=C(N)CC1CC1 MC114877 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.20 O=C(O)CC1CC1 MC433946 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.14 CC1(C)NCCS1 CS22651 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.14 CC1(O)CCCC1 CS20768 [0,1,0,1,0,0|0,0,2]=4 434 B7R1.14 CC1(O)CCNC1 MC107172 [0,1,0,1,0,0|1,0,1]=4 435 B7R2.11 C1NC2CC1C2 MC102501 [0,0,0,2,0,0|1,0,1]=4 436 B7R2.13 C1CC2CC2N1 MC105462 [0,0,0,2,0,0|1,0,1]=4 437 B7R2.13 C1CC2CC2N1 MC121378 [0,0,0,2,0,0|1,0,1]=4 438 B7R2.13 C1NCC2CC12 MC104429 [0,0,0,2,0,0|1,0,1]=4 439 B7R2.13 C1NCC2CC12 MC425327 [0,0,0,2,0,0|1,0,1]=4