0 B6R0.6 C(CC=O)CC=O A10500 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.6 C(CC=O)CC=O A17876 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C(NC=O)NC=O B24116 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 CCCCCC=O A16265 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.6 CCCCOC=O A13882 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 CCC\C=C/CO A13734 [0,0,0,0,0,0|0,0,4]=4 6 B6R0.6 CCC\C=C\C=O A11513 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.6 CCC\C=C\CC B25297 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.6 CCC\C=C\CC H53482 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.6 CCC\C=C\CO A13272 [0,0,0,0,0,0|0,0,4]=4 10 B6R0.6 CC\C=C/CCO A10313 [0,0,0,0,0,0|0,0,4]=4 11 B6R0.6 CC\C=C\CCO L10541 [0,0,0,0,0,0|0,0,4]=4 12 B6R0.6 CC\C=C\OCC H26720 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.6 C\C=C/CCCO A19266 [0,0,0,0,0,0|0,0,4]=4 14 B6R0.6 C\C=C\C=C\C=O A13200 [0,0,0,0,0,0|0,0,0]=0 15 B6R0.6 C\C=C\C=C\CO A12660 [0,0,0,0,0,0|0,0,2]=2 16 B6R0.6 C\C=C\CCCO H54459 [0,0,0,0,0,0|0,0,4]=4 17 B5R0.2 C=CCCC=C A13650 [1,0,0,0,0,0|0,0,3]=4 18 B5R0.2 C=CCCC=O L13351 [1,0,0,0,0,0|0,0,2]=3 19 B5R0.2 C=CCN=C=O L18710 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.2 C=CCOC=C L13320 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.2 CCCCC=C B20271 [1,0,0,0,0,0|0,0,3]=4 22 B5R0.2 CCCCC=O B21389 [1,0,0,0,0,0|0,0,3]=4 23 B5R0.2 CCCOC=O A18090 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.2 CCC\C=C/C H53506 [1,0,0,0,0,0|0,0,3]=4 25 B5R0.2 CCC\C=C\C B22289 [1,0,0,0,0,0|0,0,3]=4 26 B5R0.2 CCC\C=C\C H53472 [1,0,0,0,0,0|0,0,3]=4 27 B5R0.2 CCOCC=C B22276 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.2 CCO\C=C\C H26319 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.2 CCSCC=C L12847 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.2 CC\C=C/CC H53485 [1,0,0,0,0,0|0,0,3]=4 31 B5R0.2 CC\C=C/CO A14262 [1,0,0,0,0,0|0,0,3]=4 32 B5R0.2 CC\C=C\C=O L06108 [1,0,0,0,0,0|0,0,1]=2 33 B5R0.2 CC\C=C\CC L10311 [1,0,0,0,0,0|0,0,3]=4 34 B5R0.2 CSCCC=O A14774 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 C\C=C\C=C\C H53404 [1,0,0,0,0,0|0,0,1]=2 36 B5R0.2 C\C=C\CC=C B20060 [1,0,0,0,0,0|0,0,1]=2 37 B7R0.1 CC\C=C\C=C\CO 15765 [0,1,0,0,0,0|0,0,2]=3 38 B7R0.3 COC(=O)\C=C\CBr A15582 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.4 CC(=O)O\C=C\C=C A12519 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.4 CCC\C=C\C(=O)C A19086 [0,1,0,0,0,0|0,0,2]=3 41 B7R0.4 CCC\C=C\C(=O)O A13571 [0,1,0,0,0,0|0,0,2]=3 42 B7R0.4 CC\C=C\CC(=O)O A13428 [0,1,0,0,0,0|0,0,2]=3 43 B7R0.4 C\C=C\C=C\C(=O)O A16196 [0,1,0,0,0,0|0,0,0]=1 44 B7R0.4 C\C=C\C=C\C(=O)[O-] A12844 [0,1,0,0,0,0|0,0,0]=1 45 B7R0.4 C\C=C\CCC(=O)O L02724 [0,1,0,0,0,0|0,0,2]=3 46 B7R0.4 C\C=C\COC(=O)C L09734 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.7 CCOC(=O)\C=C\C A12529 [0,1,0,0,0,0|2,0,1]=4 48 B7R1.1 C1C=CC=C1C=O 39254 [0,0,0,1,0,0|0,0,0]=1 49 B7R1.1 C1C=CC=C1C=O 44292 [0,0,0,1,0,0|0,0,0]=1 50 B7R1.1 C1C=CC=C1CO 39257 [0,0,0,1,0,0|0,0,2]=3 51 B7R1.1 C=CC1=CC=CC1 17450 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.1 CCC1=CC=CC1 39253 [0,0,0,1,0,0|1,0,1]=3 53 B7R1.1 CCC1=CC=CC1 H27592 [0,0,0,1,0,0|1,0,1]=3 54 B7R1.1 CCC1=CC=CC1 H27618 [0,0,0,1,0,0|1,0,1]=3 55 B7R1.1 CCC1=CC=CC1 H27769 [0,0,0,1,0,0|1,0,1]=3 56 B7R1.1 CCc1[nH]ccn1 B24090 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.1 CCc1ccco1 A15520 [0,0,0,1,0,0|0,0,2]=3 58 B7R1.1 CCc1cccs1 A13372 [0,0,0,1,0,0|0,1,1]=3 59 B7R1.1 COc1ccco1 A15593 [0,0,0,1,0,0|1,0,1]=3 60 B7R1.1 COc1cccs1 A10455 [0,0,0,1,0,0|1,1,0]=3 61 B7R1.1 COc1ccsc1 B21940 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.1 COc1nccs1 B25655 [0,0,0,1,0,0|2,1,0]=4 63 B7R1.1 CSc1c[nH]cn1 H63990 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.1 CSc1cccs1 A11763 [0,0,0,1,0,0|1,1,0]=3 65 B7R1.1 CSc1nccs1 B25137 [0,0,0,1,0,0|2,1,0]=4 66 B7R1.1 C[Mn]C1=CC=CC1 47125 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.1 c1c(nc[nH]1)C=O B25050 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.1 c1c(ncs1)C=O H64028 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.1 c1c(nns1)C=O L20211 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.1 c1c(scn1)C=O H60138 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.1 c1c[nH]cc1C=O H35559 [0,0,0,1,0,0|1,0,1]=3 72 B7R1.1 c1cc([nH]c1)C#N L15330 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.1 c1cc([nH]c1)C=O A12838 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.1 c1cc(oc1)C#N A12214 [0,0,0,1,0,0|1,0,2]=4 75 B7R1.1 c1cc(oc1)C=O 31305 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.1 c1cc(oc1)C=O A16167 [0,0,0,1,0,0|1,0,0]=2 77 B7R1.1 c1cc(oc1)CN B23975 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.1 c1cc(oc1)CO A10968 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.1 c1cc(oc1)CS B22380 [0,0,0,1,0,0|1,0,2]=4 80 B7R1.1 c1cc(sc1)C#N A11930 [0,0,0,1,0,0|1,1,1]=4 81 B7R1.1 c1cc(sc1)C=O A14344 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.1 c1cc(sc1)CN A11700 [0,0,0,1,0,0|1,1,1]=4 83 B7R1.1 c1cc(sc1)CO A15768 [0,0,0,1,0,0|1,0,2]=4 84 B7R1.1 c1cnc([nH]1)C=O L13883 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.1 c1cocc1C=O A11334 [0,0,0,1,0,0|1,0,1]=3 86 B7R1.1 c1csc(n1)C=O H63329 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.1 c1cscc1C=O A14628 [0,0,0,1,0,0|1,0,1]=3 88 B7R1.3 C1CC=CC(=O)C1 A15435 [0,0,0,1,0,0|0,0,2]=3 89 B7R1.3 C1COC(=O)C=C1 L14909 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.3 CC1=CCC=CC1 B20298 [0,0,0,1,0,0|1,0,1]=3 91 B7R1.3 Cc1ccccc1 16371 [0,0,0,1,0,0|1,0,0]=2 92 B7R1.3 Cc1ccccc1 19376 [0,0,0,1,0,0|1,0,0]=2 93 B7R1.3 Cc1ccccc1 19399 [0,0,0,1,0,0|1,0,0]=2 94 B7R1.3 Cc1ccccc1 19402 [0,0,0,1,0,0|1,0,0]=2 95 B7R1.3 Cc1ccccc1 22903 [0,0,0,1,0,0|1,0,0]=2 96 B7R1.3 Cc1ccccc1 31755 [0,0,0,1,0,0|1,0,0]=2 97 B7R1.3 Cc1ccccc1 41464 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.3 Cc1ccccc1 41841 [0,0,0,1,0,0|1,0,0]=2 99 B7R1.3 Cc1ccccc1 43061 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.3 Cc1ccccc1 47136 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.3 Cc1ccccc1 L10967 [0,0,0,1,0,0|1,0,0]=2 102 B7R1.3 Cc1ccccc1 L13317 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.3 Cc1ccccn1 A10847 [0,0,0,1,0,0|1,0,0]=2 104 B7R1.3 Cc1cccnc1 A14012 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.3 Cc1cccnn1 A14097 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.3 Cc1ccncc1 A15595 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.3 Cc1ccncn1 A13170 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.3 Cc1ccnnc1 L09749 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.3 Cc1cnccn1 A14146 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.3 Cc1cncnc1 L19638 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.3 [Li]c1ccccc1 45770 [0,0,0,1,0,0|1,0,1]=3 112 B7R1.3 [Li]c1ccccc1 47286 [0,0,0,1,0,0|1,0,1]=3 113 B7R1.3 c1c[nH]cnc1=O H64690 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.3 c1cc(=O)[nH]nc1 H55334 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.3 c1cc(cnc1)Br A12894 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.3 c1cc(cnc1)Cl B24316 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.3 c1cc(cnc1)F A11693 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.3 c1cc(cnc1)I B23225 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.3 c1cc(cnc1)N A13216 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.3 c1cc(cnc1)O A13910 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.3 c1cc(cnc1)[Zn+] H58498 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.3 c1cc(nnc1)N H64859 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.3 c1cc[n+](cc1)N B25703 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.3 c1cc[n+](cc1)[O-] A10419 [0,0,0,1,0,0|1,0,2]=4 125 B7R1.3 c1ccc(cc1)Br A11407 [0,0,0,1,0,0|1,0,1]=3 126 B7R1.3 c1ccc(cc1)Cl 22921 [0,0,0,1,0,0|1,0,1]=3 127 B7R1.3 c1ccc(cc1)Cl 22922 [0,0,0,1,0,0|1,0,1]=3 128 B7R1.3 c1ccc(cc1)Cl 36401 [0,0,0,1,0,0|1,0,1]=3 129 B7R1.3 c1ccc(cc1)Cl B21052 [0,0,0,1,0,0|1,0,1]=3 130 B7R1.3 c1ccc(cc1)Cl H27688 [0,0,0,1,0,0|1,0,1]=3 131 B7R1.3 c1ccc(cc1)F A14384 [0,0,0,1,0,0|1,0,1]=3 132 B7R1.3 c1ccc(cc1)I A12788 [0,0,0,1,0,0|1,0,1]=3 133 B7R1.3 c1ccc(cc1)N 36238 [0,0,0,1,0,0|1,0,1]=3 134 B7R1.3 c1ccc(cc1)N A13024 [0,0,0,1,0,0|1,0,1]=3 135 B7R1.3 c1ccc(cc1)N A14443 [0,0,0,1,0,0|1,0,1]=3 136 B7R1.3 c1ccc(cc1)N A15563 [0,0,0,1,0,0|1,0,1]=3 137 B7R1.3 c1ccc(cc1)O 33213 [0,0,0,1,0,0|0,0,2]=3 138 B7R1.3 c1ccc(cc1)O 44526 [0,0,0,1,0,0|0,0,2]=3 139 B7R1.3 c1ccc(cc1)O A15760 [0,0,0,1,0,0|0,0,2]=3 140 B7R1.3 c1ccc(cc1)O L19594 [0,0,0,1,0,0|0,0,2]=3 141 B7R1.3 c1ccc(cc1)P 30155 [0,0,0,1,0,0|1,0,1]=3 142 B7R1.3 c1ccc(cc1)S A15916 [0,0,0,1,0,0|0,1,1]=3 143 B7R1.3 c1ccc(cc1)[Hg+] 37113 [0,0,0,1,0,0|1,0,1]=3 144 B7R1.3 c1ccc(cc1)[Hg+] 37125 [0,0,0,1,0,0|1,0,1]=3 145 B7R1.3 c1ccc(cc1)[Mg+] 42859 [0,0,0,1,0,0|1,0,1]=3 146 B7R1.3 c1ccc(cc1)[Mg+] 87326 [0,0,0,1,0,0|1,0,1]=3 147 B7R1.3 c1ccc(cc1)[Mg+] H51157 [0,0,0,1,0,0|1,0,1]=3 148 B7R1.3 c1ccc(cc1)[Mg+] H54729 [0,0,0,1,0,0|1,0,1]=3 149 B7R1.3 c1ccc(cc1)[O-] 51120 [0,0,0,1,0,0|0,0,2]=3 150 B7R1.3 c1ccc(cc1)[O-] B25002 [0,0,0,1,0,0|0,0,2]=3 151 B7R1.3 c1ccc(cc1)[SeH] A12876 [0,0,0,1,0,0|0,1,1]=3 152 B7R1.3 c1ccc(cc1)[SiH3] A17901 [0,0,0,1,0,0|1,0,1]=3 153 B7R1.3 c1ccc(cc1)[Sn+3] 71157 [0,0,0,1,0,0|1,0,1]=3 154 B7R1.3 c1ccc(cc1)[Zn+] H58343 [0,0,0,1,0,0|1,0,1]=3 155 B7R1.3 c1ccc(cc1)[Zn+] H58659 [0,0,0,1,0,0|1,0,1]=3 156 B7R1.3 c1ccnc(c1)Br A13241 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.3 c1ccnc(c1)Cl A14866 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.3 c1ccnc(c1)F A11627 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.3 c1ccnc(c1)I H63062 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.3 c1ccnc(c1)N A12374 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 c1ccnc(c1)O A14522 [0,0,0,1,0,0|1,0,1]=3 162 B7R1.3 c1ccnc(c1)S A11741 [0,0,0,1,0,0|1,1,0]=3 163 B7R1.3 c1ccnc(c1)[Zn+] H58544 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 c1cnc(cn1)Cl A10108 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.3 c1cnc(cn1)I H26244 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.3 c1cnc(cn1)N A13052 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.3 c1cnc(nc1)Br A13791 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.3 c1cnc(nc1)Cl A15394 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.3 c1cnc(nc1)N B24594 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.3 c1cnc(nc1)O A13732 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.3 c1cnc(nc1)S A13382 [0,0,0,1,0,0|2,1,0]=4 172 B7R1.3 c1cnc[nH]c1=O A10859 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.3 c1cnccc1Br L07052 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.3 c1cnccc1Cl A15628 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 c1cnccc1I B25459 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.3 c1cnccc1N A12405 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.3 c1cnccc1O A14586 [0,0,0,1,0,0|1,0,2]=4 178 B7R1.3 c1cncnc1N H27367 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.4 Cc1c(c[nH]n1)Br B20069 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.4 Cc1c(scn1)C A10785 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.4 Cc1c[nH]nc1C H37099 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.4 Cc1ccoc1C L15705 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.4 Cc1ccsc1Br L11393 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.4 Cc1ccsc1C H31641 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.4 Cc1ccsc1Cl H27957 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.4 Cc1nccn1C B23544 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.4 Cn1c(ccn1)I H37465 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.4 Cn1ccnc1Br H52407 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.4 Cn1ccnc1Cl H51867 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.4 Cn1ccnc1I H51862 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.4 Cn1ccnc1S A13094 [0,0,0,1,0,0|2,1,0]=4 192 B7R1.4 Cn1cncc1Cl L11899 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.4 Cn1cncc1I H56932 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.4 c1c(c(cs1)Br)Br A10512 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.4 c1coc(c1Br)Br L15518 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.4 c1csc(c1Br)Br A12998 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.4 c1csc(c1Br)Cl L19318 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.4 c1csc(c1Cl)Cl L10578 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.24 C1C=CC=CC=C1 39244 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.24 C1C=CC=CC=C1 A17064 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.24 c1ccc[cH+]cc1 A14045 [0,0,0,1,0,0|1,0,1]=3 202 B4R0.2 C=C[Sn+2]C=C 39613 [2,0,0,0,0,0|1,0,0]=3 203 B4R0.2 CCCC=C A16723 [2,0,0,0,0,0|0,0,2]=4 204 B4R0.2 CCCC=O A18243 [2,0,0,0,0,0|0,0,2]=4 205 B4R0.2 CCOC=C A15691 [2,0,0,0,0,0|1,0,1]=4 206 B4R0.2 CCOC=O A11113 [2,0,0,0,0,0|1,0,1]=4 207 B4R0.2 CC\C=C\C A17736 [2,0,0,0,0,0|0,0,2]=4 208 B4R0.2 CC\C=C\C L09421 [2,0,0,0,0,0|0,0,2]=4 209 B4R0.2 CNCC=C H27551 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.2 COCC=C 18652 [2,0,0,0,0,0|1,0,1]=4 211 B4R0.2 CSCC=C B22514 [2,0,0,0,0,0|1,0,1]=4 212 B4R0.2 C\C=C\C=O L03362 [2,0,0,0,0,0|0,0,0]=2 213 B4R0.2 C\C=C\CO A10681 [2,0,0,0,0,0|0,0,2]=4 214 B4R0.2 C\C=C\C[Mg+] H51171 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.1 CCC(=O)OC=C L12931 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.1 CCC(=O)\C=C\C H27445 [1,1,0,0,0,0|0,0,2]=4 217 B6R0.1 CCCC(=O)C=C L07660 [1,1,0,0,0,0|0,0,2]=4 218 B6R0.1 CCOC(=O)C=C A15493 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.1 CCOC(=O)C=O L19207 [1,1,0,0,0,0|1,0,1]=4 220 B6R0.1 CC\C=C(/C)\C=O A15729 [1,1,0,0,0,0|0,0,1]=3 221 B6R0.1 C\C=C\C(=O)OC A15363 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.4 C=CCCC(=O)O A13991 [1,1,0,0,0,0|0,0,2]=4 223 B6R0.4 CC(=O)CCC=C B22505 [1,1,0,0,0,0|0,0,2]=4 224 B6R0.4 CC(=O)OCC=C 41353 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.4 CC(=O)\C=C\OC A11235 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.4 CC\C=C\C(=O)O A12689 [1,1,0,0,0,0|0,0,1]=3 227 B8R0.1 CCOC(=O)\C=C\C=O L18491 [0,2,0,0,0,0|0,0,1]=3 228 B8R0.1 C\C=C\C(=O)OCC=C L03414 [0,2,0,0,0,0|1,0,1]=4 229 B8R0.4 CCCCC\C=C\C=O A18830 [0,2,0,0,0,0|0,0,2]=4 230 B8R0.4 CCC\C=C\C=C\CO A16820 [0,2,0,0,0,0|0,0,2]=4 231 B8R0.6 CCC\C=C\C(=O)OC L08030 [0,2,0,0,0,0|0,0,2]=4 232 B8R0.7 CCCC\C=C\C(=O)C A14652 [0,2,0,0,0,0|0,0,2]=4 233 B8R0.9 CNC(=O)\C=C/C(=O)O L00614 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.28 CC(=CCCC(=O)C)C A13335 [0,2,0,0,0,0|0,0,2]=4 235 B8R0.28 CC(=CCOC(=O)C)C A18958 [0,2,0,0,0,0|1,0,1]=4 236 B8R0.28 CC(=C\C=C\C(=O)C)C L09169 [0,2,0,0,0,0|0,0,0]=2 237 B6R1.1 C1C=CCC=C1 L07337 [1,0,0,1,0,0|0,0,1]=3 238 B6R1.1 C1CC=CC=C1 39403 [1,0,0,1,0,0|0,0,1]=3 239 B6R1.1 C1CC=CC=C1 A19394 [1,0,0,1,0,0|0,0,1]=3 240 B6R1.1 c1cc[nH+]cc1 A11752 [1,0,0,1,0,0|1,0,0]=3 241 B6R1.1 c1cc[nH+]cc1 A15684 [1,0,0,1,0,0|1,0,0]=3 242 B6R1.1 c1cc[nH+]cc1 L19295 [1,0,0,1,0,0|1,0,0]=3 243 B6R1.1 c1ccccc1 24139 [1,0,0,1,0,0|0,0,1]=3 244 B6R1.1 c1ccccc1 33290 [1,0,0,1,0,0|0,0,1]=3 245 B6R1.1 c1ccccc1 33291 [1,0,0,1,0,0|0,0,1]=3 246 B6R1.1 c1ccccc1 39196 [1,0,0,1,0,0|0,0,1]=3 247 B6R1.1 c1ccccc1 43817 [1,0,0,1,0,0|0,0,1]=3 248 B6R1.1 c1ccccc1 47151 [1,0,0,1,0,0|0,0,1]=3 249 B6R1.1 c1ccccc1 H34138 [1,0,0,1,0,0|0,0,1]=3 250 B6R1.1 c1ccccc1 L14012 [1,0,0,1,0,0|0,0,1]=3 251 B6R1.1 c1ccncc1 19378 [1,0,0,1,0,0|1,0,0]=3 252 B6R1.1 c1ccncc1 22905 [1,0,0,1,0,0|1,0,0]=3 253 B6R1.1 c1ccncc1 32436 [1,0,0,1,0,0|1,0,0]=3 254 B6R1.1 c1ccncc1 43799 [1,0,0,1,0,0|1,0,0]=3 255 B6R1.1 c1ccncc1 A10871 [1,0,0,1,0,0|1,0,0]=3 256 B6R1.1 c1ccncc1 A12005 [1,0,0,1,0,0|1,0,0]=3 257 B6R1.1 c1ccncc1 A12202 [1,0,0,1,0,0|1,0,0]=3 258 B6R1.1 c1ccncc1 A19314 [1,0,0,1,0,0|1,0,0]=3 259 B6R1.1 c1ccncc1 B20663 [1,0,0,1,0,0|1,0,0]=3 260 B6R1.1 c1ccncc1 B22865 [1,0,0,1,0,0|1,0,0]=3 261 B6R1.1 c1ccncc1 L13178 [1,0,0,1,0,0|1,0,0]=3 262 B6R1.1 c1ccnnc1 A13266 [1,0,0,1,0,0|2,0,0]=4 263 B6R1.1 c1cnccn1 16326 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.1 c1cnccn1 A13982 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.1 c1cncnc1 A15534 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.2 C1C=CC(=C1)Br H26076 [1,0,0,1,0,0|1,0,1]=4 267 B6R1.2 C1C=CC(=O)O1 L13142 [1,0,0,1,0,0|1,0,1]=4 268 B6R1.2 C1C=CC=C1Br L17045 [1,0,0,1,0,0|1,0,0]=3 269 B6R1.2 C1C=CC=C1[Co] 23136 [1,0,0,1,0,0|1,0,0]=3 270 B6R1.2 C1C=CC=C1[Mn] 38606 [1,0,0,1,0,0|1,0,0]=3 271 B6R1.2 C1C=CC=C1[Mo+4] 40522 [1,0,0,1,0,0|1,0,0]=3 272 B6R1.2 C1C=CC=C1[Nb+4] 39246 [1,0,0,1,0,0|1,0,0]=3 273 B6R1.2 C1C=CC=C1[Re] 33655 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.2 C1C=CC=C1[Ti+3] 77134 [1,0,0,1,0,0|1,0,0]=3 275 B6R1.2 C1C=CC=C1[Tl] 13958 [1,0,0,1,0,0|1,0,0]=3 276 B6R1.2 C1C=CC=C1[V] 81123 [1,0,0,1,0,0|1,0,0]=3 277 B6R1.2 C1C=CC=C1[Zr+3] 20617 [1,0,0,1,0,0|1,0,0]=3 278 B6R1.2 C1CC(=O)C=C1 B23408 [1,0,0,1,0,0|0,0,1]=3 279 B6R1.2 CC1=CC=CC1 H27241 [1,0,0,1,0,0|0,0,1]=3 280 B6R1.2 CC1=CCC=C1 H27464 [1,0,0,1,0,0|0,0,1]=3 281 B6R1.2 Cc1[nH]ccn1 A17063 [1,0,0,1,0,0|2,0,0]=4 282 B6R1.2 Cc1c[nH]cn1 B24139 [1,0,0,1,0,0|2,0,0]=4 283 B6R1.2 Cc1c[nH]cn1 L20184 [1,0,0,1,0,0|2,0,0]=4 284 B6R1.2 Cc1c[nH]nc1 A18083 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.2 Cc1cc[nH]n1 L01618 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.2 Cc1ccco1 B23692 [1,0,0,1,0,0|0,0,1]=3 287 B6R1.2 Cc1cccs1 A12736 [1,0,0,1,0,0|0,1,0]=3 288 B6R1.2 Cc1ccsc1 A13394 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.2 Cc1cncs1 L15879 [1,0,0,1,0,0|1,1,0]=4 290 B6R1.2 Cc1cscn1 A15428 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.2 Cn1cccc1 B21451 [1,0,0,1,0,0|1,0,0]=3 292 B6R1.2 Cn1cccn1 L14831 [1,0,0,1,0,0|2,0,0]=4 293 B6R1.2 Cn1ccnc1 A12575 [1,0,0,1,0,0|2,0,0]=4 294 B6R1.2 c1cc(oc1)Br H63218 [1,0,0,1,0,0|1,0,1]=4 295 B6R1.2 c1cc(sc1)Br A11959 [1,0,0,1,0,0|1,1,0]=4 296 B6R1.2 c1cc(sc1)Cl A10390 [1,0,0,1,0,0|1,1,0]=4 297 B6R1.2 c1cc(sc1)I A12898 [1,0,0,1,0,0|1,1,0]=4 298 B6R1.2 c1cc(sc1)S B22642 [1,0,0,1,0,0|1,1,0]=4 299 B6R1.2 c1cc(sc1)[Zn+] H58397 [1,0,0,1,0,0|1,1,0]=4 300 B6R1.2 c1coc(=O)o1 41400 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.2 c1cocc1Br B23543 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.2 c1cscc1Br A14022 [1,0,0,1,0,0|2,0,0]=4 303 B6R1.2 c1cscc1Cl B22669 [1,0,0,1,0,0|2,0,0]=4 304 B6R1.2 c1cscc1I L17581 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.2 C#Cc1ccccc1 A12139 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.2 C#Cc1ccccn1 L11274 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.2 C1CC(CC=C1)C=O L04894 [0,1,0,1,0,0|0,0,2]=4 308 B8R1.2 C=Cc1ccccc1 16199 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.2 C=Cc1ccccc1 A18481 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.2 C=Cc1ccccn1 A14056 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.2 C=Cc1ccncc1 H36621 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.2 C=Cc1ccncc1 L13316 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.2 C=Cc1cnccn1 A14007 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.2 CC[n+]1ccccc1 A17911 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.2 CCc1ccccc1 L05908 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.2 CCc1ccccn1 A17352 [0,1,0,1,0,0|1,0,0]=3 317 B8R1.2 CCc1cccnc1 B20318 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.2 CCc1ccncc1 A12883 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.2 CCc1cnccn1 A12759 [0,1,0,1,0,0|1,0,1]=4 320 B8R1.2 CNc1ccccc1 L13873 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.2 CNc1ccccn1 B23589 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.2 CNc1cccnc1 H63602 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.2 CNc1ccncc1 L19626 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.2 CNc1ncccn1 H65564 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.2 COc1ccccc1 A12997 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.2 COc1ccccn1 A13675 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.2 COc1ccncc1 L19625 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.2 COc1cnccn1 A10297 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.2 CSc1ccccc1 A14846 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.2 CSc1cnccn1 B25279 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.2 C[NH2+]c1ccccc1 A17781 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.2 [2H]Oc1ccccc1 H51100 [0,1,0,1,0,0|0,0,2]=4 333 B8R1.2 [C-]#Cc1ccccc1 17538 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.2 c1c(cncn1)C=O H54448 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.2 c1cc(cnc1)C=O A14607 [0,1,0,1,0,0|0,0,1]=3 336 B8R1.2 c1cc(cnc1)CCl A13279 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.2 c1cc(cnc1)CN B23634 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.2 c1cc(cnc1)CO A10381 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.2 c1ccc(cc1)C#N 10004 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.2 c1ccc(cc1)C#N 10006 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.2 c1ccc(cc1)C#N A11173 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.2 c1ccc(cc1)C=O 30749 [0,1,0,1,0,0|0,0,1]=3 343 B8R1.2 c1ccc(cc1)C=O A10348 [0,1,0,1,0,0|0,0,1]=3 344 B8R1.2 c1ccc(cc1)C=O L19475 [0,1,0,1,0,0|0,0,1]=3 345 B8R1.2 c1ccc(cc1)CBr A13535 [0,1,0,1,0,0|1,0,0]=3 346 B8R1.2 c1ccc(cc1)CCl A12481 [0,1,0,1,0,0|1,0,0]=3 347 B8R1.2 c1ccc(cc1)CN A10997 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.2 c1ccc(cc1)CN L04102 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.2 c1ccc(cc1)CN L19471 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.2 c1ccc(cc1)CO 41218 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.2 c1ccc(cc1)CO L03292 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.2 c1ccc(cc1)CO L19592 [0,1,0,1,0,0|1,0,0]=3 353 B8R1.2 c1ccc(cc1)CS 44466 [0,1,0,1,0,0|1,0,0]=3 354 B8R1.2 c1ccc(cc1)CS B20081 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.2 c1ccc(cc1)I=O B24531 [0,1,0,1,0,0|0,0,1]=3 359 B8R1.2 c1ccc(cc1)NN A11246 [0,1,0,1,0,0|1,0,1]=4 360 B8R1.2 c1ccc(cc1)NN A14645 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.2 c1ccc(cc1)[As]=O A14674 [0,1,0,1,0,0|0,0,1]=3 362 B8R1.2 c1ccc(cc1)[Se]Br A11906 [0,1,0,1,0,0|0,1,1]=4 363 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [0,1,0,1,0,0|0,1,1]=4 364 B8R1.2 c1ccnc(c1)C#N A12900 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.2 c1ccnc(c1)C=O A11391 [0,1,0,1,0,0|0,0,1]=3 366 B8R1.2 c1ccnc(c1)CCl A10226 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.2 c1ccnc(c1)CN B23208 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.2 c1ccnc(c1)CO A15005 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.2 c1cnccc1C=O A10656 [0,1,0,1,0,0|0,0,1]=3 370 B8R1.2 c1cnccc1CCl A12859 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.2 c1cnccc1CN L06345 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.2 c1cnccc1CO A14698 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.2 c1cncnc1CN H32582 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.2 c1cncnc1CO H31754 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.5 BN1=C(C=CC=C1)C H66642 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.5 C[n+]1ccccc1Cl A12820 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.5 Cc1c(cccn1)Br H27271 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.5 Cc1c(cccn1)F H64705 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.5 Cc1c(cccn1)N H27540 [0,1,0,1,0,0|1,0,0]=3 380 B8R1.5 Cc1c(cccn1)O B24944 [0,1,0,1,0,0|0,0,1]=3 381 B8R1.5 Cc1c(nccn1)C A12628 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.5 Cc1c(nccn1)Cl H61651 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.5 Cc1c(nccn1)N H61255 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.5 Cc1c(nccn1)O H51880 [0,1,0,1,0,0|1,0,1]=4 385 B8R1.5 Cc1ccc[nH]c1=O A12700 [0,1,0,1,0,0|0,0,0]=2 386 B8R1.5 Cc1cccc[n+]1[O-] L04488 [0,1,0,1,0,0|0,0,1]=3 387 B8R1.5 Cc1ccccc1Br A12315 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.5 Cc1ccccc1C 22902 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.5 Cc1ccccc1C 32471 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.5 Cc1ccccc1C A11358 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.5 Cc1ccccc1Cl B23596 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.5 Cc1ccccc1F A16912 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.5 Cc1ccccc1I B22697 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.5 Cc1ccccc1N A13602 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.5 Cc1ccccc1O A12307 [0,1,0,1,0,0|0,0,1]=3 396 B8R1.5 Cc1ccccc1S B22460 [0,1,0,1,0,0|0,1,0]=3 397 B8R1.5 Cc1ccccc1[O-] 89454 [0,1,0,1,0,0|0,0,1]=3 398 B8R1.5 Cc1ccccc1[Zn+] H58749 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.5 Cc1cccnc1Br L19522 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.5 Cc1cccnc1C L03697 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.5 Cc1cccnc1Cl L19861 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.5 Cc1cccnc1F L10701 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.5 Cc1cccnc1I L20047 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.5 Cc1cccnc1N A10224 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.5 Cc1ccncc1Br L19622 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.5 Cc1ccncc1C L03489 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.5 Cc1ccncc1Cl H61626 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.5 Cc1ccncc1F H64747 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.5 Cc1ccncc1N L19730 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.5 Cc1cnccc1Cl L19558 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.5 Cc1cnccc1O H32265 [0,1,0,1,0,0|0,0,1]=3 412 B8R1.5 Cn1ccccc1=O B24244 [0,1,0,1,0,0|0,0,0]=2 413 B8R1.5 c1c(c(=O)nc[nH]1)Br H35395 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.5 c1cc(c(nc1)Br)Br L19527 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.5 c1cc(c(nc1)Br)Cl L20012 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.5 c1cc(c(nc1)Br)F H31981 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.5 c1cc(c(nc1)Br)N L19839 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.5 c1cc(c(nc1)Br)O A12687 [0,1,0,1,0,0|1,0,1]=4 419 B8R1.5 c1cc(c(nc1)Cl)Br B25206 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.5 c1cc(c(nc1)Cl)Cl A12241 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.5 c1cc(c(nc1)Cl)F L20022 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.5 c1cc(c(nc1)Cl)I L20028 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.5 c1cc(c(nc1)Cl)N A15830 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.5 c1cc(c(nc1)Cl)O A11376 [0,1,0,1,0,0|1,0,1]=4 425 B8R1.5 c1cc(c(nc1)F)Br H27208 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.5 c1cc(c(nc1)F)Cl H27755 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.5 c1cc(c(nc1)F)F H25771 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.5 c1cc(c(nc1)F)I H50146 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.5 c1cc(c(nc1)F)O H32862 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.5 c1cc(c(nc1)I)O L08667 [0,1,0,1,0,0|1,0,1]=4 431 B8R1.5 c1cc(c(nc1)N)Br L20006 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.5 c1cc(c(nc1)N)Cl H30166 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.5 c1cc(c(nc1)N)F H31970 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.5 c1cc(c(nc1)N)I H50001 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.5 c1cc(c(nc1)N)N A14618 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.5 c1cc(c(nc1)N)O A10665 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.5 c1cc(c(nc1)O)Br L20014 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.5 c1cc(c(nc1)O)Cl L20027 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.5 c1cc(c(nc1)O)F H31705 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.5 c1cc(c(nc1)O)N H64480 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.5 c1cc(c(nc1)O)O L07104 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.5 c1cc[n+](c(c1)Br)[O-] L19857 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.5 c1cc[n+](c(c1)Cl)[O-] H27280 [0,1,0,1,0,0|1,0,1]=4 444 B8R1.5 c1cc[n+](c(c1)Cl)[O-] L20033 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.5 c1cc[n+](c(c1)O)[O-] H54207 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.5 c1cc[n+](c(c1)S)[O-] A14152 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.5 c1cc[n+](c(c1)[S-])[O-] A12303 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.5 c1cc[n+](c(c1)[S-])[O-] A16922 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.5 c1cc[n+](c(c1)[S-])[O-] B20529 [0,1,0,1,0,0|1,0,1]=4 450 B8R1.5 c1ccc(c(c1)Br)Br A14765 [0,1,0,1,0,0|1,0,1]=4 451 B8R1.5 c1ccc(c(c1)Br)I A17020 [0,1,0,1,0,0|1,0,1]=4 452 B8R1.5 c1ccc(c(c1)Cl)Br A11782 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.5 c1ccc(c(c1)Cl)Cl 19385 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.5 c1ccc(c(c1)Cl)Cl 32154 [0,1,0,1,0,0|1,0,1]=4 455 B8R1.5 c1ccc(c(c1)Cl)Cl A13881 [0,1,0,1,0,0|1,0,1]=4 456 B8R1.5 c1ccc(c(c1)Cl)I A18255 [0,1,0,1,0,0|1,0,1]=4 457 B8R1.5 c1ccc(c(c1)Cl)[Zn+] H58383 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.5 c1ccc(c(c1)F)Br A10635 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.5 c1ccc(c(c1)F)Cl B21209 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.5 c1ccc(c(c1)F)F A10377 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.5 c1ccc(c(c1)F)I A12411 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.5 c1ccc(c(c1)F)S B24995 [0,1,0,1,0,0|0,1,1]=4 463 B8R1.5 c1ccc(c(c1)F)[Zn+] H58066 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.5 c1ccc(c(c1)I)I B24425 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.5 c1ccc(c(c1)N)Br A11788 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.5 c1ccc(c(c1)N)Cl A15758 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.5 c1ccc(c(c1)N)Cl L13483 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.5 c1ccc(c(c1)N)F A12612 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.5 c1ccc(c(c1)N)I A13059 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.5 c1ccc(c(c1)N)N A11946 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.5 c1ccc(c(c1)N)N J60354 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.5 c1ccc(c(c1)N)O A13735 [0,1,0,1,0,0|0,0,2]=4 473 B8R1.5 c1ccc(c(c1)N)S A18952 [0,1,0,1,0,0|0,1,1]=4 474 B8R1.5 c1ccc(c(c1)O)Br A14112 [0,1,0,1,0,0|0,0,2]=4 475 B8R1.5 c1ccc(c(c1)O)Cl A10311 [0,1,0,1,0,0|0,0,2]=4 476 B8R1.5 c1ccc(c(c1)O)F A14979 [0,1,0,1,0,0|0,0,2]=4 477 B8R1.5 c1ccc(c(c1)O)I A13599 [0,1,0,1,0,0|0,0,2]=4 478 B8R1.5 c1ccc(c(c1)O)O A10164 [0,1,0,1,0,0|0,0,2]=4 479 B8R1.5 c1ccc(c(c1)O)S L12519 [0,1,0,1,0,0|0,0,2]=4 480 B8R1.5 c1ccc(c(c1)S)Br B25537 [0,1,0,1,0,0|0,1,1]=4 481 B8R1.5 c1ccc(c(c1)S)Cl A12014 [0,1,0,1,0,0|0,1,1]=4 482 B8R1.5 c1ccc(c(c1)S)S L11253 [0,1,0,1,0,0|0,1,1]=4 483 B8R1.5 c1cncc(c1Cl)Cl H63749 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.5 c1cncc(c1Cl)F H27184 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.5 c1cncc(c1Cl)N L19726 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.5 c1cncc(c1I)Br H34203 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.5 c1cncc(c1I)Cl H63866 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.5 c1cncc(c1I)F H50068 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.5 c1cncc(c1I)N H50023 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.5 c1cncc(c1N)Br L19521 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.5 c1cncc(c1N)Cl H31093 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.5 c1cncc(c1N)F H32949 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.5 c1cncc(c1N)I H50027 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.5 c1cncc(c1N)N A12465 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.5 c1cncc(c1N)O H35280 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.5 c1cncc(c1O)Br H33754 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.5 c1cncc(c1O)Cl H64783 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.5 c1cncc(c1O)N H27205 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.8 C1C=CC=C1CC#N 44131 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.8 CCCc1ccco1 B21703 [0,1,0,1,0,0|0,0,2]=4 501 B8R1.8 CCCc1cccs1 L03052 [0,1,0,1,0,0|0,1,1]=4 502 B8R1.8 CSCc1ccco1 B21691 [0,1,0,1,0,0|0,0,2]=4 503 B8R1.8 c1cc([nH]c1)\C=N\O L18959 [0,1,0,1,0,0|1,0,1]=4 504 B8R1.8 c1cc(sc1)CCN A10920 [0,1,0,1,0,0|0,1,1]=4 505 B8R1.8 c1cc(sc1)CCO B21562 [0,1,0,1,0,0|0,1,1]=4 506 B8R1.8 c1cc(sc1)\C=N\O L10961 [0,1,0,1,0,0|1,0,1]=4 507 B8R1.11 Cc1c(c[nH]n1)C=O H32547 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.11 Cc1c(nc[nH]1)C=O B20608 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.11 Cc1c(scn1)C=C B21719 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.11 Cc1c(scn1)C=O H61613 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.11 Cc1ccsc1C#N A13305 [0,1,0,1,0,0|1,0,1]=4 512 B8R1.11 Cc1ccsc1C=O A13961 [0,1,0,1,0,0|0,0,0]=2 513 B8R1.11 Cc1ccsc1C=O L14741 [0,1,0,1,0,0|0,0,0]=2 514 B8R1.11 Cc1ccsc1CN L18094 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.11 Cn1cccc1C=O A11163 [0,1,0,1,0,0|0,0,0]=2 516 B8R1.11 Cn1ccnc1C=O H55201 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.11 Cn1cncc1C=O H27338 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.11 c1csc(c1Br)C=O L19386 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.11 c1csc(c1CN)Br H66245 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.22 c1cccc(=O)cc1 L00473 [0,1,0,1,0,0|0,0,1]=3 521 B8R1.49 C/1=C/C=C\C=C/C=C1 39402 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.49 C/1=C/C=C\C=C/C=C1 B22636 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.49 C1C\C=C/C=C\CC1 L10516 [0,1,0,1,0,0|1,0,1]=4 524 B8R1.49 C1\C=C/CC\C=C/C1 10466 [0,1,0,1,0,0|1,0,1]=4 525 B8R1.49 C1\C=C/CC\C=C/C1 10493 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.49 C1\C=C/CC\C=C/C1 10494 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.49 C1\C=C/CC\C=C/C1 12739 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.49 C1\C=C/CC\C=C/C1 12749 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.49 C1\C=C/CC\C=C/C1 13735 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.49 C1\C=C/CC\C=C/C1 39234 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.49 C1\C=C/CC\C=C/C1 39282 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.49 C1\C=C/CC\C=C/C1 39289 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.49 C1\C=C/CC\C=C/C1 39414 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.49 C1\C=C/CC\C=C/C1 44031 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.49 C1\C=C/CC\C=C/C1 44041 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.49 C1\C=C/CC\C=C/C1 44157 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.49 C1\C=C/CC\C=C/C1 44967 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.49 C1\C=C/CC\C=C/C1 45523 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.49 C1\C=C/CC\C=C/C1 46492 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.49 C1\C=C/CC\C=C/C1 46581 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.49 C1\C=C/CC\C=C/C1 B21196 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.49 C1\C=C/CC\C=C/C1 H26083 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.49 C1\C=C/CC\C=C/C1 H66191 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.49 C1\C=C/CC\C=C/C1 H66412 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.1 CCc1ccc(s1)C B22640 [0,1,0,1,0,0|0,1,1]=4 546 B8R1.1 Cc1ccc(o1)C=O A13264 [0,1,0,1,0,0|0,0,0]=2 547 B8R1.1 Cc1ccc(o1)SC B21998 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.1 Cc1ccc(s1)C=O A11119 [0,1,0,1,0,0|0,0,0]=2 549 B8R1.1 Cn1cc(cn1)C=O H54146 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.1 c1c(coc1C=O)Br H26994 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.1 c1c(csc1C=O)Br A13304 [0,1,0,1,0,0|1,0,0]=3 552 B8R1.1 c1c(sc(n1)Br)C=O H31096 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.1 c1c(sc(n1)Cl)C=O H33256 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.1 c1c(sc(n1)N)C=O H27112 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.1 c1cc(oc1C=O)Br B22536 [0,1,0,1,0,0|1,0,0]=3 556 B8R1.1 c1cc(oc1C=O)Cl L19971 [0,1,0,1,0,0|1,0,0]=3 557 B8R1.1 c1cc(oc1C=O)I L19670 [0,1,0,1,0,0|1,0,0]=3 558 B8R1.1 c1cc(sc1C=O)Br A13381 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.1 c1cc(sc1C=O)Cl B22833 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.3 C1=CC(=O)C=CC1=O A13162 [0,1,0,1,0,0|0,0,1]=3 561 B8R1.3 Cc1cc[n+](cc1)[O-] A17330 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.3 Cc1ccc(cc1)Br A15843 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.3 Cc1ccc(cc1)C A10534 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.3 Cc1ccc(cc1)Cl L04672 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.3 Cc1ccc(cc1)F A10365 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.3 Cc1ccc(cc1)I A15631 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.3 Cc1ccc(cc1)N A13698 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.3 Cc1ccc(cc1)O A13531 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.3 Cc1ccc(cc1)S B24970 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.3 Cc1ccc(cc1)[S-] H55095 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.3 Cc1ccc(cn1)Br H27085 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.3 Cc1ccc(cn1)N H27431 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.3 Cc1ccc(cn1)O B25014 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.3 Cc1ccc(nc1)Br B25083 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.3 Cc1ccc(nc1)Cl H59145 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.3 Cc1ccc(nc1)F L12241 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.3 Cc1ccc(nc1)N A13330 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.3 Cc1ccc(nc1)O L19528 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.3 Cc1ccc(nn1)Cl A13480 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.3 Cc1cnc(cn1)C A12352 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.3 Cc1cnc(cn1)N H61286 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.3 Cc1ncc(cn1)Br H66467 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.3 c1cc(ccc1Br)Br A10517 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.3 c1cc(ccc1Br)I A13859 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.3 c1cc(ccc1Cl)Br A12160 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.3 c1cc(ccc1Cl)Cl A16290 [0,1,0,1,0,0|1,0,1]=4 591 B8R1.3 c1cc(ccc1Cl)I A13459 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.3 c1cc(ccc1Cl)[Zn+] H58740 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.3 c1cc(ccc1F)Br A11630 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.3 c1cc(ccc1F)Cl A13690 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.3 c1cc(ccc1F)F A16217 [0,1,0,1,0,0|1,0,1]=4 596 B8R1.3 c1cc(ccc1F)I A12008 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.3 c1cc(ccc1F)S A17600 [0,1,0,1,0,0|0,1,1]=4 598 B8R1.3 c1cc(ccc1F)[Mg+] H51169 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.3 c1cc(ccc1F)[Zn+] H58780 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.3 c1cc(ccc1I)I A15335 [0,1,0,1,0,0|1,0,1]=4 601 B8R1.3 c1cc(ccc1N)Br A15126 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.3 c1cc(ccc1N)Cl A12879 [0,1,0,1,0,0|1,0,1]=4 603 B8R1.3 c1cc(ccc1N)Cl L13744 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.3 c1cc(ccc1N)F A15597 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.3 c1cc(ccc1N)I B21936 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.3 c1cc(ccc1N)N A10638 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.3 c1cc(ccc1N)N A12659 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.3 c1cc(ccc1N)N A15680 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.3 c1cc(ccc1N)O A13581 [0,1,0,1,0,0|0,0,2]=4 610 B8R1.3 c1cc(ccc1N)S A14082 [0,1,0,1,0,0|0,1,1]=4 611 B8R1.3 c1cc(ccc1O)Br A14873 [0,1,0,1,0,0|0,0,2]=4 612 B8R1.3 c1cc(ccc1O)Cl A15602 [0,1,0,1,0,0|0,0,2]=4 613 B8R1.3 c1cc(ccc1O)F A11945 [0,1,0,1,0,0|0,0,2]=4 614 B8R1.3 c1cc(ccc1O)I A13455 [0,1,0,1,0,0|0,0,2]=4 615 B8R1.3 c1cc(ccc1O)O A11411 [0,1,0,1,0,0|0,0,2]=4 616 B8R1.3 c1cc(ccc1O)O A16681 [0,1,0,1,0,0|0,0,2]=4 617 B8R1.3 c1cc(ccc1O)S L04429 [0,1,0,1,0,0|0,0,2]=4 618 B8R1.3 c1cc(ccc1S)Br A10555 [0,1,0,1,0,0|0,1,1]=4 619 B8R1.3 c1cc(ccc1S)Cl B23838 [0,1,0,1,0,0|0,1,1]=4 620 B8R1.3 c1cc(ccc1S)S L19440 [0,1,0,1,0,0|0,1,1]=4 621 B8R1.3 c1cc(ccc1[Mg+])Cl H51163 [0,1,0,1,0,0|1,0,1]=4 622 B8R1.3 c1cc(ccc1[Zn+])Br H58429 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.3 c1cc(n[nH]c1=O)Cl H61837 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.3 c1cc(ncc1Br)Br A10937 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.3 c1cc(ncc1Br)Cl B24862 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.3 c1cc(ncc1Br)F L19537 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.3 c1cc(ncc1Br)I L19610 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.3 c1cc(ncc1Br)N A14280 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.3 c1cc(ncc1Br)O B25267 [0,1,0,1,0,0|1,0,1]=4 630 B8R1.3 c1cc(ncc1Cl)Br H64367 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.3 c1cc(ncc1Cl)Cl A15442 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.3 c1cc(ncc1Cl)F H26945 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.3 c1cc(ncc1Cl)I H64339 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.3 c1cc(ncc1Cl)N A12063 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.3 c1cc(ncc1Cl)O A11914 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.3 c1cc(ncc1F)Br L19536 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.3 c1cc(ncc1F)Cl H27462 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.3 c1cc(ncc1F)F H31130 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.3 c1cc(ncc1F)N L20010 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.3 c1cc(ncc1I)Br L20016 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.3 c1cc(ncc1I)Cl B25271 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.3 c1cc(ncc1I)F L20041 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.3 c1cc(ncc1I)I L20118 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.3 c1cc(ncc1I)N B25175 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.3 c1cc(ncc1I)O L20044 [0,1,0,1,0,0|1,0,1]=4 646 B8R1.3 c1cc(ncc1N)Br L20008 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.3 c1cc(ncc1N)Cl B25336 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.3 c1cc(ncc1N)F H30872 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.3 c1cc(ncc1N)I H27793 [0,1,0,1,0,0|2,0,0]=4 650 B8R1.3 c1cc(ncc1N)N L05599 [0,1,0,1,0,0|2,0,0]=4 651 B8R1.3 c1cc(ncc1N)O H27961 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.3 c1cc(ncc1O)Br H27228 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.3 c1cc(ncc1O)Cl L17701 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.3 c1cc(ncc1O)F H27741 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.3 c1cc(ncc1[Zn+])Cl H58537 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.50 CN1C(=O)C=CC1=O L00437 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.50 Cc1ccc(n1C)C B25493 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.4 C1CC(=CC(=O)C1)N A11474 [0,1,0,1,0,0|0,0,2]=4 659 B8R1.4 CC1=CC(=O)CCC1 A15704 [0,1,0,1,0,0|0,0,2]=4 660 B8R1.4 Cc1cc(ccn1)Br H27884 [0,1,0,1,0,0|1,0,0]=3 661 B8R1.4 Cc1cc(ccn1)Cl B24719 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.4 Cc1cc(ccn1)Cl H64093 [0,1,0,1,0,0|1,0,0]=3 663 B8R1.4 Cc1cc(ccn1)F H64284 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.4 Cc1cc(ccn1)N H55036 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.4 Cc1cc(cnc1)Br H30137 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.4 Cc1cc(cnc1)C A14877 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.4 Cc1cc(cnc1)O H32658 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.4 Cc1cc(ncn1)C A10302 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.4 Cc1cc(ncn1)Cl H64667 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.4 Cc1cc(ncn1)N H66832 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.4 Cc1cc(ncn1)O H61404 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.4 Cc1ccc[n+](c1)[O-] A12578 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.4 Cc1cccc(c1)Br A13990 [0,1,0,1,0,0|1,0,0]=3 674 B8R1.4 Cc1cccc(c1)C L03788 [0,1,0,1,0,0|1,0,0]=3 675 B8R1.4 Cc1cccc(c1)Cl A16991 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.4 Cc1cccc(c1)F A16107 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.4 Cc1cccc(c1)I A10999 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.4 Cc1cccc(c1)N A14058 [0,1,0,1,0,0|1,0,0]=3 679 B8R1.4 Cc1cccc(c1)O A10733 [0,1,0,1,0,0|0,0,1]=3 680 B8R1.4 Cc1cccc(c1)S B23818 [0,1,0,1,0,0|0,1,0]=3 681 B8R1.4 Cc1cccc(c1)[Zn+] H58431 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.4 Cc1cccc(n1)Br L20018 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.4 Cc1cccc(n1)C A10478 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.4 Cc1cccc(n1)Cl B20174 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.4 Cc1cccc(n1)F L01561 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.4 Cc1cccc(n1)N A10444 [0,1,0,1,0,0|1,0,0]=3 687 B8R1.4 Cc1cccc(n1)O A14764 [0,1,0,1,0,0|0,0,1]=3 688 B8R1.4 Cc1cccc(n1)[Zn+] H58354 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.4 Cc1ccnc(c1)Br B25253 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.4 Cc1ccnc(c1)C B22913 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.4 Cc1ccnc(c1)Cl H60607 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.4 Cc1ccnc(c1)F L01602 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.4 Cc1ccnc(c1)N A14177 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.4 Cc1ccnc(c1)O L16188 [0,1,0,1,0,0|1,0,1]=4 695 B8R1.4 Cc1ccnc(n1)Br H54503 [0,1,0,1,0,0|2,0,0]=4 696 B8R1.4 Cc1ccnc(n1)Cl H31903 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.4 Cc1ccnc(n1)N A16081 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.4 Cc1ccnc(n1)O B22255 [0,1,0,1,0,0|1,0,1]=4 699 B8R1.4 Cc1ccnc(n1)S A13145 [0,1,0,1,0,0|1,1,0]=4 700 B8R1.4 Cc1cncc(n1)C B24687 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.4 Cc1cncc(n1)Cl H63650 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.4 Cc1cncc(n1)N H63436 [0,1,0,1,0,0|2,0,0]=4 703 B8R1.4 c1c[nH]c(=O)[nH]c1=O A15570 [0,1,0,1,0,0|2,0,0]=4 704 B8R1.4 c1c[nH]c(=O)[nH]c1=S H61919 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.4 c1c[nH]c(=O)nc1N A14731 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.4 c1c[nH]c(=S)[nH]c1=O A18119 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.4 c1cc(cc(c1)Br)Br A12723 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.4 c1cc(cc(c1)Br)Cl A14026 [0,1,0,1,0,0|1,0,1]=4 709 B8R1.4 c1cc(cc(c1)Br)F A10858 [0,1,0,1,0,0|1,0,1]=4 710 B8R1.4 c1cc(cc(c1)Br)N A13665 [0,1,0,1,0,0|1,0,1]=4 711 B8R1.4 c1cc(cc(c1)Br)O A14849 [0,1,0,1,0,0|0,0,2]=4 712 B8R1.4 c1cc(cc(c1)Br)S B25092 [0,1,0,1,0,0|0,1,1]=4 713 B8R1.4 c1cc(cc(c1)Br)[Zn+] H58686 [0,1,0,1,0,0|1,0,1]=4 714 B8R1.4 c1cc(cc(c1)Cl)Cl A13688 [0,1,0,1,0,0|1,0,1]=4 715 B8R1.4 c1cc(cc(c1)Cl)F A13123 [0,1,0,1,0,0|1,0,1]=4 716 B8R1.4 c1cc(cc(c1)Cl)N A12019 [0,1,0,1,0,0|1,0,1]=4 717 B8R1.4 c1cc(cc(c1)Cl)N L13484 [0,1,0,1,0,0|1,0,1]=4 718 B8R1.4 c1cc(cc(c1)Cl)O A13671 [0,1,0,1,0,0|0,0,2]=4 719 B8R1.4 c1cc(cc(c1)Cl)S L04806 [0,1,0,1,0,0|0,1,1]=4 720 B8R1.4 c1cc(cc(c1)Cl)[Mg+] H51161 [0,1,0,1,0,0|1,0,1]=4 721 B8R1.4 c1cc(cc(c1)F)F A14387 [0,1,0,1,0,0|1,0,1]=4 722 B8R1.4 c1cc(cc(c1)F)N A14228 [0,1,0,1,0,0|1,0,1]=4 723 B8R1.4 c1cc(cc(c1)F)O A13598 [0,1,0,1,0,0|0,0,2]=4 724 B8R1.4 c1cc(cc(c1)I)Br A19596 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.4 c1cc(cc(c1)I)Cl A15567 [0,1,0,1,0,0|1,0,1]=4 726 B8R1.4 c1cc(cc(c1)I)F A11706 [0,1,0,1,0,0|1,0,1]=4 727 B8R1.4 c1cc(cc(c1)I)I L17445 [0,1,0,1,0,0|1,0,1]=4 728 B8R1.4 c1cc(cc(c1)I)N L01159 [0,1,0,1,0,0|1,0,1]=4 729 B8R1.4 c1cc(cc(c1)I)O A11155 [0,1,0,1,0,0|0,0,2]=4 730 B8R1.4 c1cc(cc(c1)N)N A15339 [0,1,0,1,0,0|1,0,1]=4 731 B8R1.4 c1cc(cc(c1)O)N A11943 [0,1,0,1,0,0|0,0,2]=4 732 B8R1.4 c1cc(cc(c1)O)O 36248 [0,1,0,1,0,0|0,0,2]=4 733 B8R1.4 c1cc(cc(c1)O)O A13080 [0,1,0,1,0,0|0,0,2]=4 734 B8R1.4 c1cc(cc(c1)S)F B23114 [0,1,0,1,0,0|0,1,1]=4 735 B8R1.4 c1cc(cc(c1)S)N B25473 [0,1,0,1,0,0|0,1,1]=4 736 B8R1.4 c1cc(cc(c1)S)S L19439 [0,1,0,1,0,0|0,1,1]=4 737 B8R1.4 c1cc(cc(c1)[Mg+])F H51168 [0,1,0,1,0,0|1,0,1]=4 738 B8R1.4 c1cc(cc(c1)[Zn+])Cl H58709 [0,1,0,1,0,0|1,0,1]=4 739 B8R1.4 c1cc(cc(c1)[Zn+])F H58161 [0,1,0,1,0,0|1,0,1]=4 740 B8R1.4 c1cc(nc(c1)Br)Br A15397 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.4 c1cc(nc(c1)Br)Cl H26961 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.4 c1cc(nc(c1)Br)F H30924 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.4 c1cc(nc(c1)Br)N H26555 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.4 c1cc(nc(c1)Cl)Cl A11364 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.4 c1cc(nc(c1)Cl)N L19836 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.4 c1cc(nc(c1)Cl)O A13164 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.4 c1cc(nc(c1)F)F A15522 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.4 c1cc(nc(c1)F)N H30629 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.4 c1cc(nc(c1)F)O H31686 [0,1,0,1,0,0|1,0,1]=4 750 B8R1.4 c1cc(nc(c1)I)Br H34478 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.4 c1cc(nc(c1)N)N A12295 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.4 c1cnc([nH]c1=O)N H54228 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.4 c1cnc(cc1Br)Br L20038 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.4 c1cnc(cc1Br)Cl H27299 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.4 c1cnc(cc1Br)F H27657 [0,1,0,1,0,0|2,0,0]=4 756 B8R1.4 c1cnc(cc1Br)N H31500 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.4 c1cnc(cc1Br)O H32067 [0,1,0,1,0,0|1,0,1]=4 758 B8R1.4 c1cnc(cc1Cl)Br H33698 [0,1,0,1,0,0|2,0,0]=4 759 B8R1.4 c1cnc(cc1Cl)Cl L20040 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.4 c1cnc(cc1Cl)F H64557 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.4 c1cnc(cc1Cl)N H59130 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.4 c1cnc(cc1Cl)O H29250 [0,1,0,1,0,0|1,0,1]=4 763 B8R1.4 c1cnc(cc1F)Br H64785 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.4 c1cnc(cc1F)Cl L20023 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.4 c1cnc(cc1F)F H32124 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.4 c1cnc(cc1F)N H64233 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.4 c1cnc(cc1I)Br L20015 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.4 c1cnc(cc1I)Cl L19623 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.4 c1cnc(cc1I)F H27517 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.4 c1cnc(cc1N)Br L20007 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.4 c1cnc(cc1N)Cl B22098 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.4 c1cnc(cc1O)Cl H27549 [0,1,0,1,0,0|2,0,0]=4 773 B8R1.4 c1cnc(cc1O)F H31697 [0,1,0,1,0,0|2,0,0]=4 774 B8R1.4 c1cnc(cc1O)N H64836 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.4 c1cnc(cc1O)O A13566 [0,1,0,1,0,0|1,0,1]=4 776 B8R1.7 C1C=CCC1C(=O)O B25456 [0,1,0,1,0,0|0,0,2]=4 777 B8R1.7 C1CC=C(C1)C(=O)O A13271 [0,1,0,1,0,0|0,0,2]=4 778 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [0,1,0,1,0,0|1,0,1]=4 780 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.7 CC(=O)c1ccco1 A14938 [0,1,0,1,0,0|0,0,1]=3 782 B8R1.7 CC(=O)c1cccs1 A13062 [0,1,0,1,0,0|0,1,0]=3 783 B8R1.7 CC(=O)c1ccoc1 H34071 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.7 CC(=O)c1ccsc1 A11078 [0,1,0,1,0,0|1,0,1]=4 785 B8R1.7 CC(=O)c1nccs1 A11266 [0,1,0,1,0,0|1,1,0]=4 786 B8R1.7 CC(c1cccs1)N H26052 [0,1,0,1,0,0|0,1,1]=4 787 B8R1.7 C[C@H](c1cccs1)O H26936 [0,1,0,1,0,0|0,1,1]=4 788 B8R1.7 c1c(nc[nH]1)C(=O)O H56862 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.7 c1c(ocn1)C(=O)O H30179 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.7 c1c[nH]cc1C(=O)O H55383 [0,1,0,1,0,0|1,0,1]=4 791 B8R1.7 c1c[nH]nc1C(=O)O B25732 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.7 c1cc([nH]c1)C(=S)N H58042 [0,1,0,1,0,0|1,1,0]=4 794 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.7 c1cc(oc1)C(=O)N B25075 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.7 c1cc(oc1)C(=O)O A11454 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.7 c1cc(oc1)C(=S)N H51831 [0,1,0,1,0,0|1,0,1]=4 798 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.7 c1cc(sc1)C(=O)N A15219 [0,1,0,1,0,0|1,0,0]=3 800 B8R1.7 c1cc(sc1)C(=O)O A12514 [0,1,0,1,0,0|1,0,0]=3 801 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.7 c1cc(sc1)C(=S)N B25225 [0,1,0,1,0,0|1,1,0]=4 803 B8R1.7 c1cc(sc1)[N+](=O)[O-] A17464 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.7 c1cnoc1C(=O)Cl A14625 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.7 c1cnoc1C(=O)O A13739 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.7 c1cocc1C(=O)O L11629 [0,1,0,1,0,0|1,0,1]=4 807 B8R1.7 c1conc1C(=O)O H58438 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.7 c1csc(n1)C(=O)O H63620 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.7 c1cscc1C(=O)Cl H61428 [0,1,0,1,0,0|1,0,1]=4 810 B8R1.7 c1cscc1C(=O)O A15712 [0,1,0,1,0,0|1,0,1]=4 811 B8R1.18 CC1=CC(=O)OC1=O L05238 [0,1,0,1,0,0|1,0,0]=3 812 B8R1.18 CC1C(=O)C=C(O1)C A12182 [0,1,0,1,0,0|1,0,1]=4 813 B8R1.18 Cc1cc(sc1Br)Br L02693 [0,1,0,1,0,0|2,0,0]=4 814 B8R1.18 Cc1cc(sc1Cl)Cl H27129 [0,1,0,1,0,0|2,0,0]=4