0 B7R1.3 C1CC=CC(=O)C1 A15435 [0,0,0,0,0,0|0,0,4]=4 1 B7R1.3 C1COC(=O)C=C1 L14909 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.3 CC1=CCC=CC1 B20298 [0,0,0,0,0,0|1,0,2]=3 3 B7R1.3 Cc1ccccc1 16371 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 Cc1ccccc1 19376 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 Cc1ccccc1 19399 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.3 Cc1ccccc1 19402 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.3 Cc1ccccc1 22903 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 Cc1ccccc1 31755 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.3 Cc1ccccc1 41464 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.3 Cc1ccccc1 41841 [0,0,0,0,0,0|1,0,0]=1 11 B7R1.3 Cc1ccccc1 43061 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.3 Cc1ccccc1 47136 [0,0,0,0,0,0|1,0,0]=1 13 B7R1.3 Cc1ccccc1 L10967 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.3 Cc1ccccc1 L13317 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.3 Cc1ccccn1 A10847 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 Cc1cccnc1 A14012 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 Cc1cccnn1 A14097 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 Cc1ccncc1 A15595 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 Cc1ccncn1 A13170 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.3 Cc1ccnnc1 L09749 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.3 Cc1cnccn1 A14146 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 Cc1cncnc1 L19638 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.3 [Li]c1ccccc1 45770 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.3 [Li]c1ccccc1 47286 [0,0,0,0,0,0|1,0,0]=1 25 B7R1.3 c1c(cncn1)Br L14172 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 c1c(cncn1)[Zn+] H58089 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 c1c[nH]cnc1=O H64690 [0,0,0,0,0,0|2,0,1]=3 28 B7R1.3 c1cc(=O)[nH]nc1 H55334 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.3 c1cc(cnc1)Br A12894 [0,0,0,0,0,0|2,0,0]=2 30 B7R1.3 c1cc(cnc1)Cl B24316 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.3 c1cc(cnc1)F A11693 [0,0,0,0,0,0|2,0,0]=2 32 B7R1.3 c1cc(cnc1)I B23225 [0,0,0,0,0,0|2,0,0]=2 33 B7R1.3 c1cc(cnc1)N A13216 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.3 c1cc(cnc1)O A13910 [0,0,0,0,0,0|1,0,0]=1 35 B7R1.3 c1cc(cnc1)[Zn+] H58498 [0,0,0,0,0,0|2,0,0]=2 36 B7R1.3 c1cc(nnc1)N H64859 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.3 c1cc[n+](cc1)N B25703 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.3 c1cc[n+](cc1)[O-] A10419 [0,0,0,0,0,0|1,0,1]=2 39 B7R1.3 c1ccc(cc1)Br A11407 [0,0,0,0,0,0|1,0,0]=1 40 B7R1.3 c1ccc(cc1)Cl 22921 [0,0,0,0,0,0|1,0,0]=1 41 B7R1.3 c1ccc(cc1)Cl 22922 [0,0,0,0,0,0|1,0,0]=1 42 B7R1.3 c1ccc(cc1)Cl 36401 [0,0,0,0,0,0|1,0,0]=1 43 B7R1.3 c1ccc(cc1)Cl B21052 [0,0,0,0,0,0|1,0,0]=1 44 B7R1.3 c1ccc(cc1)Cl H27688 [0,0,0,0,0,0|1,0,0]=1 45 B7R1.3 c1ccc(cc1)F A14384 [0,0,0,0,0,0|1,0,0]=1 46 B7R1.3 c1ccc(cc1)I A12788 [0,0,0,0,0,0|1,0,0]=1 47 B7R1.3 c1ccc(cc1)N 36238 [0,0,0,0,0,0|1,0,0]=1 48 B7R1.3 c1ccc(cc1)N A13024 [0,0,0,0,0,0|1,0,0]=1 49 B7R1.3 c1ccc(cc1)N A14443 [0,0,0,0,0,0|1,0,0]=1 50 B7R1.3 c1ccc(cc1)N A15563 [0,0,0,0,0,0|1,0,0]=1 51 B7R1.3 c1ccc(cc1)O 33213 [0,0,0,0,0,0|0,0,0]=0 52 B7R1.3 c1ccc(cc1)O 44526 [0,0,0,0,0,0|0,0,0]=0 53 B7R1.3 c1ccc(cc1)O A15760 [0,0,0,0,0,0|0,0,0]=0 54 B7R1.3 c1ccc(cc1)O L19594 [0,0,0,0,0,0|0,0,0]=0 55 B7R1.3 c1ccc(cc1)P 30155 [0,0,0,0,0,0|1,0,0]=1 56 B7R1.3 c1ccc(cc1)S A15916 [0,0,0,0,0,0|0,1,0]=1 57 B7R1.3 c1ccc(cc1)[Hg+] 37113 [0,0,0,0,0,0|1,0,0]=1 58 B7R1.3 c1ccc(cc1)[Hg+] 37125 [0,0,0,0,0,0|1,0,0]=1 59 B7R1.3 c1ccc(cc1)[Mg+] 42859 [0,0,0,0,0,0|1,0,0]=1 60 B7R1.3 c1ccc(cc1)[Mg+] 87326 [0,0,0,0,0,0|1,0,0]=1 61 B7R1.3 c1ccc(cc1)[Mg+] H51157 [0,0,0,0,0,0|1,0,0]=1 62 B7R1.3 c1ccc(cc1)[Mg+] H54729 [0,0,0,0,0,0|1,0,0]=1 63 B7R1.3 c1ccc(cc1)[O-] 51120 [0,0,0,0,0,0|0,0,1]=1 64 B7R1.3 c1ccc(cc1)[O-] B25002 [0,0,0,0,0,0|0,0,1]=1 65 B7R1.3 c1ccc(cc1)[SeH] A12876 [0,0,0,0,0,0|0,1,0]=1 66 B7R1.3 c1ccc(cc1)[SiH3] A17901 [0,0,0,0,0,0|1,0,0]=1 67 B7R1.3 c1ccc(cc1)[Sn+3] 71157 [0,0,0,0,0,0|1,0,0]=1 68 B7R1.3 c1ccc(cc1)[Zn+] H58343 [0,0,0,0,0,0|1,0,0]=1 69 B7R1.3 c1ccc(cc1)[Zn+] H58659 [0,0,0,0,0,0|1,0,0]=1 70 B7R1.3 c1ccnc(c1)Br A13241 [0,0,0,0,0,0|2,0,0]=2 71 B7R1.3 c1ccnc(c1)Cl A14866 [0,0,0,0,0,0|2,0,0]=2 72 B7R1.3 c1ccnc(c1)F A11627 [0,0,0,0,0,0|2,0,0]=2 73 B7R1.3 c1ccnc(c1)I H63062 [0,0,0,0,0,0|2,0,0]=2 74 B7R1.3 c1ccnc(c1)N A12374 [0,0,0,0,0,0|2,0,0]=2 75 B7R1.3 c1ccnc(c1)O A14522 [0,0,0,0,0,0|1,0,0]=1 76 B7R1.3 c1ccnc(c1)S A11741 [0,0,0,0,0,0|1,1,0]=2 77 B7R1.3 c1ccnc(c1)[Zn+] H58544 [0,0,0,0,0,0|2,0,0]=2 78 B7R1.3 c1cnc(cn1)Cl A10108 [0,0,0,0,0,0|3,0,0]=3 79 B7R1.3 c1cnc(cn1)I H26244 [0,0,0,0,0,0|3,0,0]=3 80 B7R1.3 c1cnc(cn1)N A13052 [0,0,0,0,0,0|3,0,0]=3 81 B7R1.3 c1cnc(nc1)Br A13791 [0,0,0,0,0,0|3,0,0]=3 82 B7R1.3 c1cnc(nc1)Cl A15394 [0,0,0,0,0,0|3,0,0]=3 83 B7R1.3 c1cnc(nc1)N B24594 [0,0,0,0,0,0|3,0,0]=3 84 B7R1.3 c1cnc(nc1)O A13732 [0,0,0,0,0,0|2,0,0]=2 85 B7R1.3 c1cnc(nc1)S A13382 [0,0,0,0,0,0|2,1,0]=3 86 B7R1.3 c1cnc[nH]c1=O A10859 [0,0,0,0,0,0|2,0,1]=3 87 B7R1.3 c1cnccc1Br L07052 [0,0,0,0,0,0|2,0,0]=2 88 B7R1.3 c1cnccc1Cl A15628 [0,0,0,0,0,0|2,0,0]=2 89 B7R1.3 c1cnccc1I B25459 [0,0,0,0,0,0|2,0,0]=2 90 B7R1.3 c1cnccc1N A12405 [0,0,0,0,0,0|2,0,0]=2 91 B7R1.3 c1cnccc1O A14586 [0,0,0,0,0,0|1,0,0]=1 92 B7R1.3 c1cncnc1N H27367 [0,0,0,0,0,0|3,0,0]=3 93 B6R1.1 C1C=CCC=C1 L07337 [1,0,0,0,0,0|0,0,2]=3 94 B6R1.1 C1CC=CC=C1 39403 [1,0,0,0,0,0|0,0,2]=3 95 B6R1.1 C1CC=CC=C1 A19394 [1,0,0,0,0,0|0,0,2]=3 96 B6R1.1 c1cc[nH+]cc1 A11752 [1,0,0,0,0,0|1,0,0]=2 97 B6R1.1 c1cc[nH+]cc1 A15684 [1,0,0,0,0,0|1,0,0]=2 98 B6R1.1 c1cc[nH+]cc1 L19295 [1,0,0,0,0,0|1,0,0]=2 99 B6R1.1 c1ccccc1 24139 [1,0,0,0,0,0|0,0,0]=1 100 B6R1.1 c1ccccc1 33290 [1,0,0,0,0,0|0,0,0]=1 101 B6R1.1 c1ccccc1 33291 [1,0,0,0,0,0|0,0,0]=1 102 B6R1.1 c1ccccc1 39196 [1,0,0,0,0,0|0,0,0]=1 103 B6R1.1 c1ccccc1 43817 [1,0,0,0,0,0|0,0,0]=1 104 B6R1.1 c1ccccc1 47151 [1,0,0,0,0,0|0,0,0]=1 105 B6R1.1 c1ccccc1 H34138 [1,0,0,0,0,0|0,0,0]=1 106 B6R1.1 c1ccccc1 L14012 [1,0,0,0,0,0|0,0,0]=1 107 B6R1.1 c1ccncc1 19378 [1,0,0,0,0,0|1,0,0]=2 108 B6R1.1 c1ccncc1 22905 [1,0,0,0,0,0|1,0,0]=2 109 B6R1.1 c1ccncc1 32436 [1,0,0,0,0,0|1,0,0]=2 110 B6R1.1 c1ccncc1 43799 [1,0,0,0,0,0|1,0,0]=2 111 B6R1.1 c1ccncc1 A10871 [1,0,0,0,0,0|1,0,0]=2 112 B6R1.1 c1ccncc1 A12005 [1,0,0,0,0,0|1,0,0]=2 113 B6R1.1 c1ccncc1 A12202 [1,0,0,0,0,0|1,0,0]=2 114 B6R1.1 c1ccncc1 A19314 [1,0,0,0,0,0|1,0,0]=2 115 B6R1.1 c1ccncc1 B20663 [1,0,0,0,0,0|1,0,0]=2 116 B6R1.1 c1ccncc1 B22865 [1,0,0,0,0,0|1,0,0]=2 117 B6R1.1 c1ccncc1 L13178 [1,0,0,0,0,0|1,0,0]=2 118 B6R1.1 c1ccnnc1 A13266 [1,0,0,0,0,0|2,0,0]=3 119 B6R1.1 c1cnccn1 16326 [1,0,0,0,0,0|2,0,0]=3 120 B6R1.1 c1cnccn1 A13982 [1,0,0,0,0,0|2,0,0]=3 121 B6R1.1 c1cncnc1 A15534 [1,0,0,0,0,0|2,0,0]=3 122 B6R1.1 c1ncncn1 L16911 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.2 C#Cc1ccccc1 A12139 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.2 C#Cc1ccccn1 L11274 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.2 C#Cc1cccnc1 H53465 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.2 C#Cc1ccncc1 H53455 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.2 C=Cc1ccccc1 16199 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.2 C=Cc1ccccc1 A18481 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.2 C=Cc1ccccn1 A14056 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.2 C=Cc1ccncc1 H36621 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.2 C=Cc1ccncc1 L13316 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.2 C=Cc1cnccn1 A14007 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.2 CC[n+]1ccccc1 A17911 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.2 CCc1ccccc1 L05908 [0,1,0,0,0,0|1,0,0]=2 135 B8R1.2 CCc1ccccn1 A17352 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.2 CCc1cccnc1 B20318 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.2 CCc1ccncc1 A12883 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.2 CCc1cnccn1 A12759 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.2 CNc1ccccc1 L13873 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.2 CNc1ccccn1 B23589 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.2 CNc1cccnc1 H63602 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.2 CNc1ccncc1 L19626 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.2 CNc1ncccn1 H65564 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.2 COc1ccccc1 A12997 [0,1,0,0,0,0|0,0,0]=1 145 B8R1.2 COc1ccccn1 A13675 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.2 COc1ccncc1 L19625 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.2 COc1cnccn1 A10297 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.2 CSc1ccccc1 A14846 [0,1,0,0,0,0|0,1,0]=2 149 B8R1.2 CSc1cnccn1 B25279 [0,1,0,0,0,0|2,1,0]=4 150 B8R1.2 C[NH2+]c1ccccc1 A17781 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.2 [2H]Oc1ccccc1 H51100 [0,1,0,0,0,0|0,0,0]=1 152 B8R1.2 [C-]#Cc1ccccc1 17538 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.2 c1c(cncn1)C=O H54448 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.2 c1cc(cnc1)C#N A14850 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.2 c1cc(cnc1)C=O A14607 [0,1,0,0,0,0|1,0,1]=3 156 B8R1.2 c1cc(cnc1)CCl A13279 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.2 c1cc(cnc1)CN B23634 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.2 c1cc(cnc1)CO A10381 [0,1,0,0,0,0|1,0,0]=2 159 B8R1.2 c1cc(nnc1)C#N H33568 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.2 c1ccc(cc1)C#N 10004 [0,1,0,0,0,0|1,0,0]=2 161 B8R1.2 c1ccc(cc1)C#N 10006 [0,1,0,0,0,0|1,0,0]=2 162 B8R1.2 c1ccc(cc1)C#N A11173 [0,1,0,0,0,0|1,0,0]=2 163 B8R1.2 c1ccc(cc1)C=O 30749 [0,1,0,0,0,0|0,0,1]=2 164 B8R1.2 c1ccc(cc1)C=O A10348 [0,1,0,0,0,0|0,0,1]=2 165 B8R1.2 c1ccc(cc1)C=O L19475 [0,1,0,0,0,0|0,0,1]=2 166 B8R1.2 c1ccc(cc1)CBr A13535 [0,1,0,0,0,0|1,0,0]=2 167 B8R1.2 c1ccc(cc1)CCl A12481 [0,1,0,0,0,0|1,0,0]=2 168 B8R1.2 c1ccc(cc1)CN A10997 [0,1,0,0,0,0|1,0,0]=2 169 B8R1.2 c1ccc(cc1)CN L04102 [0,1,0,0,0,0|1,0,0]=2 170 B8R1.2 c1ccc(cc1)CN L19471 [0,1,0,0,0,0|1,0,0]=2 171 B8R1.2 c1ccc(cc1)CO 41218 [0,1,0,0,0,0|0,0,0]=1 172 B8R1.2 c1ccc(cc1)CO L03292 [0,1,0,0,0,0|0,0,0]=1 173 B8R1.2 c1ccc(cc1)CO L19592 [0,1,0,0,0,0|0,0,0]=1 174 B8R1.2 c1ccc(cc1)CS 44466 [0,1,0,0,0,0|0,1,0]=2 175 B8R1.2 c1ccc(cc1)CS B20081 [0,1,0,0,0,0|0,1,0]=2 176 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [0,1,0,0,0,0|1,0,0]=2 177 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [0,1,0,0,0,0|1,0,0]=2 178 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.2 c1ccc(cc1)I=O B24531 [0,1,0,0,0,0|0,0,1]=2 180 B8R1.2 c1ccc(cc1)NN A11246 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.2 c1ccc(cc1)NN A14645 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.2 c1ccc(cc1)[As]=O A14674 [0,1,0,0,0,0|0,0,1]=2 183 B8R1.2 c1ccc(cc1)[Se]Br A11906 [0,1,0,0,0,0|0,1,0]=2 184 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [0,1,0,0,0,0|0,1,0]=2 185 B8R1.2 c1ccnc(c1)C#N A12900 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.2 c1ccnc(c1)C=O A11391 [0,1,0,0,0,0|1,0,1]=3 187 B8R1.2 c1ccnc(c1)CCl A10226 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.2 c1ccnc(c1)CN B23208 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.2 c1ccnc(c1)CO A15005 [0,1,0,0,0,0|1,0,0]=2 190 B8R1.2 c1cnc(cn1)C#N A10974 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.2 c1cnc(cn1)NN H64086 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.2 c1cnccc1C#N A10286 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.2 c1cnccc1C=O A10656 [0,1,0,0,0,0|1,0,1]=3 194 B8R1.2 c1cnccc1CCl A12859 [0,1,0,0,0,0|2,0,0]=3 195 B8R1.2 c1cnccc1CN L06345 [0,1,0,0,0,0|2,0,0]=3 196 B8R1.2 c1cnccc1CO A14698 [0,1,0,0,0,0|1,0,0]=2 197 B8R1.2 c1cncnc1CN H32582 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.2 c1cncnc1CO H31754 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.3 C1=CC(=O)C=CC1=O A13162 [0,1,0,0,0,0|0,0,1]=2 200 B8R1.3 Cc1cc[n+](cc1)[O-] A17330 [0,1,0,0,0,0|1,0,1]=3 201 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.3 Cc1ccc(cc1)Br A15843 [0,1,0,0,0,0|1,0,0]=2 203 B8R1.3 Cc1ccc(cc1)C A10534 [0,1,0,0,0,0|1,0,0]=2 204 B8R1.3 Cc1ccc(cc1)Cl L04672 [0,1,0,0,0,0|1,0,0]=2 205 B8R1.3 Cc1ccc(cc1)F A10365 [0,1,0,0,0,0|1,0,0]=2 206 B8R1.3 Cc1ccc(cc1)I A15631 [0,1,0,0,0,0|1,0,0]=2 207 B8R1.3 Cc1ccc(cc1)N A13698 [0,1,0,0,0,0|1,0,0]=2 208 B8R1.3 Cc1ccc(cc1)O A13531 [0,1,0,0,0,0|0,0,0]=1 209 B8R1.3 Cc1ccc(cc1)S B24970 [0,1,0,0,0,0|0,1,0]=2 210 B8R1.3 Cc1ccc(cc1)[S-] H55095 [0,1,0,0,0,0|0,1,0]=2 211 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [0,1,0,0,0,0|1,0,0]=2 212 B8R1.3 Cc1ccc(cn1)Br H27085 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.3 Cc1ccc(cn1)N H27431 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.3 Cc1ccc(cn1)O B25014 [0,1,0,0,0,0|1,0,0]=2 215 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.3 Cc1ccc(nc1)Br B25083 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.3 Cc1ccc(nc1)Cl H59145 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.3 Cc1ccc(nc1)F L12241 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.3 Cc1ccc(nc1)N A13330 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.3 Cc1ccc(nc1)O L19528 [0,1,0,0,0,0|1,0,0]=2 221 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.3 Cc1ccc(nn1)Cl A13480 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.3 Cc1cnc(cn1)C A12352 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.3 Cc1cnc(cn1)N H61286 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.3 Cc1cnc(nc1)Br H66877 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.3 Cc1cnc(nc1)Cl H64773 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.3 Cc1ncc(cn1)Br H66467 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.3 c1c(cnc(n1)Cl)Br L18360 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.3 c1c(cnc(n1)Cl)Cl H64066 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.3 c1c(cnc(n1)Cl)F H55055 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.3 c1c(cnc(n1)Cl)I H63423 [0,1,0,0,0,0|3,0,0]=4 232 B8R1.3 c1c(cnc(n1)F)Br H27795 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.3 c1c(cnc(n1)I)Br L17453 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.3 c1c(cnc(n1)I)Cl H64185 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.3 c1c(cnc(n1)N)Br H27291 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.3 c1c(cnc(n1)N)Cl L19248 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.3 c1c(cnc(n1)N)I B22705 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.3 c1c(cnc(n1)O)Br L18347 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.3 c1c(ncc(n1)Br)N H27465 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.3 c1c(ncc(n1)Cl)N H66509 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.3 c1cc(ccc1Br)Br A10517 [0,1,0,0,0,0|1,0,0]=2 242 B8R1.3 c1cc(ccc1Br)I A13859 [0,1,0,0,0,0|1,0,0]=2 243 B8R1.3 c1cc(ccc1Cl)Br A12160 [0,1,0,0,0,0|1,0,0]=2 244 B8R1.3 c1cc(ccc1Cl)Cl A16290 [0,1,0,0,0,0|1,0,0]=2 245 B8R1.3 c1cc(ccc1Cl)I A13459 [0,1,0,0,0,0|1,0,0]=2 246 B8R1.3 c1cc(ccc1Cl)[Zn+] H58740 [0,1,0,0,0,0|1,0,0]=2 247 B8R1.3 c1cc(ccc1F)Br A11630 [0,1,0,0,0,0|1,0,0]=2 248 B8R1.3 c1cc(ccc1F)Cl A13690 [0,1,0,0,0,0|1,0,0]=2 249 B8R1.3 c1cc(ccc1F)F A16217 [0,1,0,0,0,0|1,0,0]=2 250 B8R1.3 c1cc(ccc1F)I A12008 [0,1,0,0,0,0|1,0,0]=2 251 B8R1.3 c1cc(ccc1F)S A17600 [0,1,0,0,0,0|0,1,0]=2 252 B8R1.3 c1cc(ccc1F)[Mg+] H51169 [0,1,0,0,0,0|1,0,0]=2 253 B8R1.3 c1cc(ccc1F)[Zn+] H58780 [0,1,0,0,0,0|1,0,0]=2 254 B8R1.3 c1cc(ccc1I)I A15335 [0,1,0,0,0,0|1,0,0]=2 255 B8R1.3 c1cc(ccc1N)Br A15126 [0,1,0,0,0,0|1,0,0]=2 256 B8R1.3 c1cc(ccc1N)Cl A12879 [0,1,0,0,0,0|1,0,0]=2 257 B8R1.3 c1cc(ccc1N)Cl L13744 [0,1,0,0,0,0|1,0,0]=2 258 B8R1.3 c1cc(ccc1N)F A15597 [0,1,0,0,0,0|1,0,0]=2 259 B8R1.3 c1cc(ccc1N)I B21936 [0,1,0,0,0,0|1,0,0]=2 260 B8R1.3 c1cc(ccc1N)N A10638 [0,1,0,0,0,0|1,0,0]=2 261 B8R1.3 c1cc(ccc1N)N A12659 [0,1,0,0,0,0|1,0,0]=2 262 B8R1.3 c1cc(ccc1N)N A15680 [0,1,0,0,0,0|1,0,0]=2 263 B8R1.3 c1cc(ccc1N)O A13581 [0,1,0,0,0,0|0,0,0]=1 264 B8R1.3 c1cc(ccc1N)S A14082 [0,1,0,0,0,0|0,1,0]=2 265 B8R1.3 c1cc(ccc1O)Br A14873 [0,1,0,0,0,0|0,0,0]=1 266 B8R1.3 c1cc(ccc1O)Cl A15602 [0,1,0,0,0,0|0,0,0]=1 267 B8R1.3 c1cc(ccc1O)F A11945 [0,1,0,0,0,0|0,0,0]=1 268 B8R1.3 c1cc(ccc1O)I A13455 [0,1,0,0,0,0|0,0,0]=1 269 B8R1.3 c1cc(ccc1O)O A11411 [0,1,0,0,0,0|0,0,0]=1 270 B8R1.3 c1cc(ccc1O)O A16681 [0,1,0,0,0,0|0,0,0]=1 271 B8R1.3 c1cc(ccc1O)S L04429 [0,1,0,0,0,0|0,0,0]=1 272 B8R1.3 c1cc(ccc1S)Br A10555 [0,1,0,0,0,0|0,1,0]=2 273 B8R1.3 c1cc(ccc1S)Cl B23838 [0,1,0,0,0,0|0,1,0]=2 274 B8R1.3 c1cc(ccc1S)S L19440 [0,1,0,0,0,0|0,1,0]=2 275 B8R1.3 c1cc(ccc1[Mg+])Cl H51163 [0,1,0,0,0,0|1,0,0]=2 276 B8R1.3 c1cc(ccc1[Zn+])Br H58429 [0,1,0,0,0,0|1,0,0]=2 277 B8R1.3 c1cc(n[nH]c1=O)Cl H61837 [0,1,0,0,0,0|2,0,1]=4 278 B8R1.3 c1cc(ncc1Br)Br A10937 [0,1,0,0,0,0|2,0,0]=3 279 B8R1.3 c1cc(ncc1Br)Cl B24862 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.3 c1cc(ncc1Br)F L19537 [0,1,0,0,0,0|2,0,0]=3 281 B8R1.3 c1cc(ncc1Br)I L19610 [0,1,0,0,0,0|2,0,0]=3 282 B8R1.3 c1cc(ncc1Br)N A14280 [0,1,0,0,0,0|2,0,0]=3 283 B8R1.3 c1cc(ncc1Br)O B25267 [0,1,0,0,0,0|1,0,0]=2 284 B8R1.3 c1cc(ncc1Cl)Br H64367 [0,1,0,0,0,0|2,0,0]=3 285 B8R1.3 c1cc(ncc1Cl)Cl A15442 [0,1,0,0,0,0|2,0,0]=3 286 B8R1.3 c1cc(ncc1Cl)F H26945 [0,1,0,0,0,0|2,0,0]=3 287 B8R1.3 c1cc(ncc1Cl)I H64339 [0,1,0,0,0,0|2,0,0]=3 288 B8R1.3 c1cc(ncc1Cl)N A12063 [0,1,0,0,0,0|2,0,0]=3 289 B8R1.3 c1cc(ncc1Cl)O A11914 [0,1,0,0,0,0|1,0,0]=2 290 B8R1.3 c1cc(ncc1F)Br L19536 [0,1,0,0,0,0|2,0,0]=3 291 B8R1.3 c1cc(ncc1F)Cl H27462 [0,1,0,0,0,0|2,0,0]=3 292 B8R1.3 c1cc(ncc1F)F H31130 [0,1,0,0,0,0|2,0,0]=3 293 B8R1.3 c1cc(ncc1F)N L20010 [0,1,0,0,0,0|2,0,0]=3 294 B8R1.3 c1cc(ncc1I)Br L20016 [0,1,0,0,0,0|2,0,0]=3 295 B8R1.3 c1cc(ncc1I)Cl B25271 [0,1,0,0,0,0|2,0,0]=3 296 B8R1.3 c1cc(ncc1I)F L20041 [0,1,0,0,0,0|2,0,0]=3 297 B8R1.3 c1cc(ncc1I)I L20118 [0,1,0,0,0,0|2,0,0]=3 298 B8R1.3 c1cc(ncc1I)N B25175 [0,1,0,0,0,0|2,0,0]=3 299 B8R1.3 c1cc(ncc1I)O L20044 [0,1,0,0,0,0|1,0,0]=2 300 B8R1.3 c1cc(ncc1N)Br L20008 [0,1,0,0,0,0|2,0,0]=3 301 B8R1.3 c1cc(ncc1N)Cl B25336 [0,1,0,0,0,0|2,0,0]=3 302 B8R1.3 c1cc(ncc1N)F H30872 [0,1,0,0,0,0|2,0,0]=3 303 B8R1.3 c1cc(ncc1N)I H27793 [0,1,0,0,0,0|2,0,0]=3 304 B8R1.3 c1cc(ncc1N)N L05599 [0,1,0,0,0,0|2,0,0]=3 305 B8R1.3 c1cc(ncc1N)O H27961 [0,1,0,0,0,0|1,0,0]=2 306 B8R1.3 c1cc(ncc1O)Br H27228 [0,1,0,0,0,0|1,0,0]=2 307 B8R1.3 c1cc(ncc1O)Cl L17701 [0,1,0,0,0,0|1,0,0]=2 308 B8R1.3 c1cc(ncc1O)F H27741 [0,1,0,0,0,0|1,0,0]=2 309 B8R1.3 c1cc(ncc1[Zn+])Cl H58537 [0,1,0,0,0,0|2,0,0]=3 310 B8R1.3 c1cc(nnc1Br)Br H61223 [0,1,0,0,0,0|3,0,0]=4 311 B8R1.3 c1cc(nnc1Cl)Cl A14795 [0,1,0,0,0,0|3,0,0]=4 312 B8R1.3 c1cc(nnc1Cl)I H63879 [0,1,0,0,0,0|3,0,0]=4 313 B8R1.3 c1cc(nnc1N)Cl A10185 [0,1,0,0,0,0|3,0,0]=4 314 B8R1.4 Cc1cc(ccn1)Br H27884 [0,1,0,0,0,0|2,0,0]=3 315 B8R1.4 Cc1cc(ccn1)Cl B24719 [0,1,0,0,0,0|2,0,0]=3 316 B8R1.4 Cc1cc(ccn1)Cl H64093 [0,1,0,0,0,0|2,0,0]=3 317 B8R1.4 Cc1cc(ccn1)F H64284 [0,1,0,0,0,0|2,0,0]=3 318 B8R1.4 Cc1cc(ccn1)N H55036 [0,1,0,0,0,0|2,0,0]=3 319 B8R1.4 Cc1cc(cnc1)Br H30137 [0,1,0,0,0,0|2,0,0]=3 320 B8R1.4 Cc1cc(cnc1)C A14877 [0,1,0,0,0,0|2,0,0]=3 321 B8R1.4 Cc1cc(cnc1)O H32658 [0,1,0,0,0,0|1,0,0]=2 322 B8R1.4 Cc1cc(ncn1)C A10302 [0,1,0,0,0,0|3,0,0]=4 323 B8R1.4 Cc1cc(ncn1)Cl H64667 [0,1,0,0,0,0|3,0,0]=4 324 B8R1.4 Cc1cc(ncn1)N H66832 [0,1,0,0,0,0|3,0,0]=4 325 B8R1.4 Cc1cc(ncn1)O H61404 [0,1,0,0,0,0|2,0,0]=3 326 B8R1.4 Cc1ccc[n+](c1)[O-] A12578 [0,1,0,0,0,0|1,0,1]=3 327 B8R1.4 Cc1cccc(c1)Br A13990 [0,1,0,0,0,0|1,0,0]=2 328 B8R1.4 Cc1cccc(c1)C L03788 [0,1,0,0,0,0|1,0,0]=2 329 B8R1.4 Cc1cccc(c1)Cl A16991 [0,1,0,0,0,0|1,0,0]=2 330 B8R1.4 Cc1cccc(c1)F A16107 [0,1,0,0,0,0|1,0,0]=2 331 B8R1.4 Cc1cccc(c1)I A10999 [0,1,0,0,0,0|1,0,0]=2 332 B8R1.4 Cc1cccc(c1)N A14058 [0,1,0,0,0,0|1,0,0]=2 333 B8R1.4 Cc1cccc(c1)O A10733 [0,1,0,0,0,0|0,0,0]=1 334 B8R1.4 Cc1cccc(c1)S B23818 [0,1,0,0,0,0|0,1,0]=2 335 B8R1.4 Cc1cccc(c1)[Zn+] H58431 [0,1,0,0,0,0|1,0,0]=2 336 B8R1.4 Cc1cccc(n1)Br L20018 [0,1,0,0,0,0|2,0,0]=3 337 B8R1.4 Cc1cccc(n1)C A10478 [0,1,0,0,0,0|2,0,0]=3 338 B8R1.4 Cc1cccc(n1)Cl B20174 [0,1,0,0,0,0|2,0,0]=3 339 B8R1.4 Cc1cccc(n1)F L01561 [0,1,0,0,0,0|2,0,0]=3 340 B8R1.4 Cc1cccc(n1)N A10444 [0,1,0,0,0,0|2,0,0]=3 341 B8R1.4 Cc1cccc(n1)O A14764 [0,1,0,0,0,0|1,0,0]=2 342 B8R1.4 Cc1cccc(n1)[Zn+] H58354 [0,1,0,0,0,0|2,0,0]=3 343 B8R1.4 Cc1ccnc(c1)Br B25253 [0,1,0,0,0,0|2,0,0]=3 344 B8R1.4 Cc1ccnc(c1)C B22913 [0,1,0,0,0,0|2,0,0]=3 345 B8R1.4 Cc1ccnc(c1)Cl H60607 [0,1,0,0,0,0|2,0,0]=3 346 B8R1.4 Cc1ccnc(c1)F L01602 [0,1,0,0,0,0|2,0,0]=3 347 B8R1.4 Cc1ccnc(c1)N A14177 [0,1,0,0,0,0|2,0,0]=3 348 B8R1.4 Cc1ccnc(c1)O L16188 [0,1,0,0,0,0|1,0,0]=2 349 B8R1.4 Cc1ccnc(n1)Br H54503 [0,1,0,0,0,0|3,0,0]=4 350 B8R1.4 Cc1ccnc(n1)Cl H31903 [0,1,0,0,0,0|3,0,0]=4 351 B8R1.4 Cc1ccnc(n1)N A16081 [0,1,0,0,0,0|3,0,0]=4 352 B8R1.4 Cc1ccnc(n1)O B22255 [0,1,0,0,0,0|2,0,0]=3 353 B8R1.4 Cc1ccnc(n1)S A13145 [0,1,0,0,0,0|2,1,0]=4 354 B8R1.4 Cc1cncc(n1)C B24687 [0,1,0,0,0,0|3,0,0]=4 355 B8R1.4 Cc1cncc(n1)Cl H63650 [0,1,0,0,0,0|3,0,0]=4 356 B8R1.4 Cc1cncc(n1)N H63436 [0,1,0,0,0,0|3,0,0]=4 357 B8R1.4 c1c(cncc1Br)Br A10875 [0,1,0,0,0,0|2,0,0]=3 358 B8R1.4 c1c(cncc1Br)Cl H27454 [0,1,0,0,0,0|2,0,0]=3 359 B8R1.4 c1c(cncc1Br)F H25766 [0,1,0,0,0,0|2,0,0]=3 360 B8R1.4 c1c(cncc1Br)N H56566 [0,1,0,0,0,0|2,0,0]=3 361 B8R1.4 c1c(cncc1Br)O H27256 [0,1,0,0,0,0|1,0,0]=2 362 B8R1.4 c1c(cncc1Cl)Cl L03380 [0,1,0,0,0,0|2,0,0]=3 363 B8R1.4 c1c(cncc1Cl)F H30170 [0,1,0,0,0,0|2,0,0]=3 364 B8R1.4 c1c(cncc1Cl)N H31833 [0,1,0,0,0,0|2,0,0]=3 365 B8R1.4 c1c(cncc1Cl)O L07568 [0,1,0,0,0,0|1,0,0]=2 366 B8R1.4 c1c(cncc1F)F L19539 [0,1,0,0,0,0|2,0,0]=3 367 B8R1.4 c1c(cncc1F)N H34111 [0,1,0,0,0,0|2,0,0]=3 368 B8R1.4 c1c(cncc1F)O H32683 [0,1,0,0,0,0|1,0,0]=2 369 B8R1.4 c1c(cncc1I)Br H64007 [0,1,0,0,0,0|2,0,0]=3 370 B8R1.4 c1c(cncc1I)F H64770 [0,1,0,0,0,0|2,0,0]=3 371 B8R1.4 c1c(nc(cn1)Br)Br H61468 [0,1,0,0,0,0|3,0,0]=4 372 B8R1.4 c1c(nc(cn1)Cl)Cl A11175 [0,1,0,0,0,0|3,0,0]=4 373 B8R1.4 c1c(nc(cn1)Cl)N H61934 [0,1,0,0,0,0|3,0,0]=4 374 B8R1.4 c1c(ncnc1Br)Br H27254 [0,1,0,0,0,0|3,0,0]=4 375 B8R1.4 c1c(ncnc1Cl)Cl L13212 [0,1,0,0,0,0|3,0,0]=4 376 B8R1.4 c1c(ncnc1Cl)N H50551 [0,1,0,0,0,0|3,0,0]=4 377 B8R1.4 c1c(ncnc1O)N L03825 [0,1,0,0,0,0|2,0,0]=3 378 B8R1.4 c1c(ncnc1O)O A15688 [0,1,0,0,0,0|2,0,0]=3 379 B8R1.4 c1c[nH]c(=O)[nH]c1=O A15570 [0,1,0,0,0,0|2,0,1]=4 380 B8R1.4 c1c[nH]c(=O)[nH]c1=S H61919 [0,1,0,0,0,0|2,0,1]=4 381 B8R1.4 c1c[nH]c(=O)nc1N A14731 [0,1,0,0,0,0|2,0,1]=4 382 B8R1.4 c1c[nH]c(=S)[nH]c1=O A18119 [0,1,0,0,0,0|2,0,1]=4 383 B8R1.4 c1cc(c[n+](c1)[O-])Br H25940 [0,1,0,0,0,0|1,0,1]=3 384 B8R1.4 c1cc(c[n+](c1)[O-])F H25765 [0,1,0,0,0,0|1,0,1]=3 385 B8R1.4 c1cc(cc(c1)Br)Br A12723 [0,1,0,0,0,0|1,0,0]=2 386 B8R1.4 c1cc(cc(c1)Br)Cl A14026 [0,1,0,0,0,0|1,0,0]=2 387 B8R1.4 c1cc(cc(c1)Br)F A10858 [0,1,0,0,0,0|1,0,0]=2 388 B8R1.4 c1cc(cc(c1)Br)N A13665 [0,1,0,0,0,0|1,0,0]=2 389 B8R1.4 c1cc(cc(c1)Br)O A14849 [0,1,0,0,0,0|0,0,0]=1 390 B8R1.4 c1cc(cc(c1)Br)S B25092 [0,1,0,0,0,0|0,1,0]=2 391 B8R1.4 c1cc(cc(c1)Br)[Zn+] H58686 [0,1,0,0,0,0|1,0,0]=2 392 B8R1.4 c1cc(cc(c1)Cl)Cl A13688 [0,1,0,0,0,0|1,0,0]=2 393 B8R1.4 c1cc(cc(c1)Cl)F A13123 [0,1,0,0,0,0|1,0,0]=2 394 B8R1.4 c1cc(cc(c1)Cl)N A12019 [0,1,0,0,0,0|1,0,0]=2 395 B8R1.4 c1cc(cc(c1)Cl)N L13484 [0,1,0,0,0,0|1,0,0]=2 396 B8R1.4 c1cc(cc(c1)Cl)O A13671 [0,1,0,0,0,0|0,0,0]=1 397 B8R1.4 c1cc(cc(c1)Cl)S L04806 [0,1,0,0,0,0|0,1,0]=2 398 B8R1.4 c1cc(cc(c1)Cl)[Mg+] H51161 [0,1,0,0,0,0|1,0,0]=2 399 B8R1.4 c1cc(cc(c1)F)F A14387 [0,1,0,0,0,0|1,0,0]=2 400 B8R1.4 c1cc(cc(c1)F)N A14228 [0,1,0,0,0,0|1,0,0]=2 401 B8R1.4 c1cc(cc(c1)F)O A13598 [0,1,0,0,0,0|0,0,0]=1 402 B8R1.4 c1cc(cc(c1)I)Br A19596 [0,1,0,0,0,0|1,0,0]=2 403 B8R1.4 c1cc(cc(c1)I)Cl A15567 [0,1,0,0,0,0|1,0,0]=2 404 B8R1.4 c1cc(cc(c1)I)F A11706 [0,1,0,0,0,0|1,0,0]=2 405 B8R1.4 c1cc(cc(c1)I)I L17445 [0,1,0,0,0,0|1,0,0]=2 406 B8R1.4 c1cc(cc(c1)I)N L01159 [0,1,0,0,0,0|1,0,0]=2 407 B8R1.4 c1cc(cc(c1)I)O A11155 [0,1,0,0,0,0|0,0,0]=1 408 B8R1.4 c1cc(cc(c1)N)N A15339 [0,1,0,0,0,0|1,0,0]=2 409 B8R1.4 c1cc(cc(c1)O)N A11943 [0,1,0,0,0,0|0,0,0]=1 410 B8R1.4 c1cc(cc(c1)O)O 36248 [0,1,0,0,0,0|0,0,0]=1 411 B8R1.4 c1cc(cc(c1)O)O A13080 [0,1,0,0,0,0|0,0,0]=1 412 B8R1.4 c1cc(cc(c1)S)F B23114 [0,1,0,0,0,0|0,1,0]=2 413 B8R1.4 c1cc(cc(c1)S)N B25473 [0,1,0,0,0,0|0,1,0]=2 414 B8R1.4 c1cc(cc(c1)S)S L19439 [0,1,0,0,0,0|0,1,0]=2 415 B8R1.4 c1cc(cc(c1)[Mg+])F H51168 [0,1,0,0,0,0|1,0,0]=2 416 B8R1.4 c1cc(cc(c1)[Zn+])Cl H58709 [0,1,0,0,0,0|1,0,0]=2 417 B8R1.4 c1cc(cc(c1)[Zn+])F H58161 [0,1,0,0,0,0|1,0,0]=2 418 B8R1.4 c1cc(nc(c1)Br)Br A15397 [0,1,0,0,0,0|2,0,0]=3 419 B8R1.4 c1cc(nc(c1)Br)Cl H26961 [0,1,0,0,0,0|2,0,0]=3 420 B8R1.4 c1cc(nc(c1)Br)F H30924 [0,1,0,0,0,0|2,0,0]=3 421 B8R1.4 c1cc(nc(c1)Br)N H26555 [0,1,0,0,0,0|2,0,0]=3 422 B8R1.4 c1cc(nc(c1)Cl)Cl A11364 [0,1,0,0,0,0|2,0,0]=3 423 B8R1.4 c1cc(nc(c1)Cl)N L19836 [0,1,0,0,0,0|2,0,0]=3 424 B8R1.4 c1cc(nc(c1)Cl)O A13164 [0,1,0,0,0,0|1,0,0]=2 425 B8R1.4 c1cc(nc(c1)F)F A15522 [0,1,0,0,0,0|2,0,0]=3 426 B8R1.4 c1cc(nc(c1)F)N H30629 [0,1,0,0,0,0|2,0,0]=3 427 B8R1.4 c1cc(nc(c1)F)O H31686 [0,1,0,0,0,0|1,0,0]=2 428 B8R1.4 c1cc(nc(c1)I)Br H34478 [0,1,0,0,0,0|2,0,0]=3 429 B8R1.4 c1cc(nc(c1)N)N A12295 [0,1,0,0,0,0|2,0,0]=3 430 B8R1.4 c1cnc([nH]c1=O)N H54228 [0,1,0,0,0,0|2,0,1]=4 431 B8R1.4 c1cnc(cc1Br)Br L20038 [0,1,0,0,0,0|2,0,0]=3 432 B8R1.4 c1cnc(cc1Br)Cl H27299 [0,1,0,0,0,0|2,0,0]=3 433 B8R1.4 c1cnc(cc1Br)F H27657 [0,1,0,0,0,0|2,0,0]=3 434 B8R1.4 c1cnc(cc1Br)N H31500 [0,1,0,0,0,0|2,0,0]=3 435 B8R1.4 c1cnc(cc1Br)O H32067 [0,1,0,0,0,0|1,0,0]=2 436 B8R1.4 c1cnc(cc1Cl)Br H33698 [0,1,0,0,0,0|2,0,0]=3 437 B8R1.4 c1cnc(cc1Cl)Cl L20040 [0,1,0,0,0,0|2,0,0]=3 438 B8R1.4 c1cnc(cc1Cl)F H64557 [0,1,0,0,0,0|2,0,0]=3 439 B8R1.4 c1cnc(cc1Cl)N H59130 [0,1,0,0,0,0|2,0,0]=3 440 B8R1.4 c1cnc(cc1Cl)O H29250 [0,1,0,0,0,0|1,0,0]=2 441 B8R1.4 c1cnc(cc1F)Br H64785 [0,1,0,0,0,0|2,0,0]=3 442 B8R1.4 c1cnc(cc1F)Cl L20023 [0,1,0,0,0,0|2,0,0]=3 443 B8R1.4 c1cnc(cc1F)F H32124 [0,1,0,0,0,0|2,0,0]=3 444 B8R1.4 c1cnc(cc1F)N H64233 [0,1,0,0,0,0|2,0,0]=3 445 B8R1.4 c1cnc(cc1I)Br L20015 [0,1,0,0,0,0|2,0,0]=3 446 B8R1.4 c1cnc(cc1I)Cl L19623 [0,1,0,0,0,0|2,0,0]=3 447 B8R1.4 c1cnc(cc1I)F H27517 [0,1,0,0,0,0|2,0,0]=3 448 B8R1.4 c1cnc(cc1N)Br L20007 [0,1,0,0,0,0|2,0,0]=3 449 B8R1.4 c1cnc(cc1N)Cl B22098 [0,1,0,0,0,0|2,0,0]=3 450 B8R1.4 c1cnc(cc1O)Cl H27549 [0,1,0,0,0,0|1,0,0]=2 451 B8R1.4 c1cnc(cc1O)F H31697 [0,1,0,0,0,0|1,0,0]=2 452 B8R1.4 c1cnc(cc1O)N H64836 [0,1,0,0,0,0|1,0,0]=2 453 B8R1.4 c1cnc(cc1O)O A13566 [0,1,0,0,0,0|1,0,0]=2 454 B8R1.4 c1cnc(nc1Br)Br H27433 [0,1,0,0,0,0|3,0,0]=4 455 B8R1.4 c1cnc(nc1Br)Cl H64753 [0,1,0,0,0,0|3,0,0]=4 456 B8R1.4 c1cnc(nc1Br)N H64358 [0,1,0,0,0,0|3,0,0]=4 457 B8R1.4 c1cnc(nc1Cl)Cl A15131 [0,1,0,0,0,0|3,0,0]=4 458 B8R1.4 c1cnc(nc1Cl)N H55007 [0,1,0,0,0,0|3,0,0]=4 459 B8R1.4 c1cnc(nc1N)Cl H55875 [0,1,0,0,0,0|3,0,0]=4 460 B8R1.5 BN1=C(C=CC=C1)C H66642 [0,1,0,0,0,0|2,0,0]=3 461 B8R1.5 C[n+]1ccccc1Cl A12820 [0,1,0,0,0,0|2,0,0]=3 462 B8R1.5 Cc1c(cccn1)Br H27271 [0,1,0,0,0,0|2,0,0]=3 463 B8R1.5 Cc1c(cccn1)F H64705 [0,1,0,0,0,0|2,0,0]=3 464 B8R1.5 Cc1c(cccn1)N H27540 [0,1,0,0,0,0|2,0,0]=3 465 B8R1.5 Cc1c(cccn1)O B24944 [0,1,0,0,0,0|1,0,0]=2 466 B8R1.5 Cc1c(nccn1)C A12628 [0,1,0,0,0,0|3,0,0]=4 467 B8R1.5 Cc1c(nccn1)Cl H61651 [0,1,0,0,0,0|3,0,0]=4 468 B8R1.5 Cc1c(nccn1)N H61255 [0,1,0,0,0,0|3,0,0]=4 469 B8R1.5 Cc1c(nccn1)O H51880 [0,1,0,0,0,0|2,0,0]=3 470 B8R1.5 Cc1ccc[nH]c1=O A12700 [0,1,0,0,0,0|1,0,1]=3 471 B8R1.5 Cc1cccc[n+]1[O-] L04488 [0,1,0,0,0,0|1,0,1]=3 472 B8R1.5 Cc1ccccc1Br A12315 [0,1,0,0,0,0|1,0,0]=2 473 B8R1.5 Cc1ccccc1C 22902 [0,1,0,0,0,0|1,0,0]=2 474 B8R1.5 Cc1ccccc1C 32471 [0,1,0,0,0,0|1,0,0]=2 475 B8R1.5 Cc1ccccc1C A11358 [0,1,0,0,0,0|1,0,0]=2 476 B8R1.5 Cc1ccccc1Cl B23596 [0,1,0,0,0,0|1,0,0]=2 477 B8R1.5 Cc1ccccc1F A16912 [0,1,0,0,0,0|1,0,0]=2 478 B8R1.5 Cc1ccccc1I B22697 [0,1,0,0,0,0|1,0,0]=2 479 B8R1.5 Cc1ccccc1N A13602 [0,1,0,0,0,0|1,0,0]=2 480 B8R1.5 Cc1ccccc1O A12307 [0,1,0,0,0,0|0,0,0]=1 481 B8R1.5 Cc1ccccc1S B22460 [0,1,0,0,0,0|0,1,0]=2 482 B8R1.5 Cc1ccccc1[O-] 89454 [0,1,0,0,0,0|0,0,1]=2 483 B8R1.5 Cc1ccccc1[Zn+] H58749 [0,1,0,0,0,0|1,0,0]=2 484 B8R1.5 Cc1cccnc1Br L19522 [0,1,0,0,0,0|2,0,0]=3 485 B8R1.5 Cc1cccnc1C L03697 [0,1,0,0,0,0|2,0,0]=3 486 B8R1.5 Cc1cccnc1Cl L19861 [0,1,0,0,0,0|2,0,0]=3 487 B8R1.5 Cc1cccnc1F L10701 [0,1,0,0,0,0|2,0,0]=3 488 B8R1.5 Cc1cccnc1I L20047 [0,1,0,0,0,0|2,0,0]=3 489 B8R1.5 Cc1cccnc1N A10224 [0,1,0,0,0,0|2,0,0]=3 490 B8R1.5 Cc1ccncc1Br L19622 [0,1,0,0,0,0|2,0,0]=3 491 B8R1.5 Cc1ccncc1C L03489 [0,1,0,0,0,0|2,0,0]=3 492 B8R1.5 Cc1ccncc1Cl H61626 [0,1,0,0,0,0|2,0,0]=3 493 B8R1.5 Cc1ccncc1F H64747 [0,1,0,0,0,0|2,0,0]=3 494 B8R1.5 Cc1ccncc1N L19730 [0,1,0,0,0,0|2,0,0]=3 495 B8R1.5 Cc1cnccc1Cl L19558 [0,1,0,0,0,0|2,0,0]=3 496 B8R1.5 Cc1cnccc1O H32265 [0,1,0,0,0,0|1,0,0]=2 497 B8R1.5 Cn1ccccc1=O B24244 [0,1,0,0,0,0|1,0,1]=3 498 B8R1.5 c1c(c(=O)nc[nH]1)Br H35395 [0,1,0,0,0,0|2,0,1]=4 499 B8R1.5 c1c(c(ncn1)Br)F H33994 [0,1,0,0,0,0|3,0,0]=4 500 B8R1.5 c1c(c(ncn1)Cl)N H66671 [0,1,0,0,0,0|3,0,0]=4 501 B8R1.5 c1c(c(ncn1)N)Br H64335 [0,1,0,0,0,0|3,0,0]=4 502 B8R1.5 c1c(c(ncn1)O)I H61190 [0,1,0,0,0,0|2,0,0]=3 503 B8R1.5 c1cc(c(nc1)Br)Br L19527 [0,1,0,0,0,0|2,0,0]=3 504 B8R1.5 c1cc(c(nc1)Br)Cl L20012 [0,1,0,0,0,0|2,0,0]=3 505 B8R1.5 c1cc(c(nc1)Br)F H31981 [0,1,0,0,0,0|2,0,0]=3 506 B8R1.5 c1cc(c(nc1)Br)N L19839 [0,1,0,0,0,0|2,0,0]=3 507 B8R1.5 c1cc(c(nc1)Br)O A12687 [0,1,0,0,0,0|1,0,0]=2 508 B8R1.5 c1cc(c(nc1)Cl)Br B25206 [0,1,0,0,0,0|2,0,0]=3 509 B8R1.5 c1cc(c(nc1)Cl)Cl A12241 [0,1,0,0,0,0|2,0,0]=3 510 B8R1.5 c1cc(c(nc1)Cl)F L20022 [0,1,0,0,0,0|2,0,0]=3 511 B8R1.5 c1cc(c(nc1)Cl)I L20028 [0,1,0,0,0,0|2,0,0]=3 512 B8R1.5 c1cc(c(nc1)Cl)N A15830 [0,1,0,0,0,0|2,0,0]=3 513 B8R1.5 c1cc(c(nc1)Cl)O A11376 [0,1,0,0,0,0|1,0,0]=2 514 B8R1.5 c1cc(c(nc1)F)Br H27208 [0,1,0,0,0,0|2,0,0]=3 515 B8R1.5 c1cc(c(nc1)F)Cl H27755 [0,1,0,0,0,0|2,0,0]=3 516 B8R1.5 c1cc(c(nc1)F)F H25771 [0,1,0,0,0,0|2,0,0]=3 517 B8R1.5 c1cc(c(nc1)F)I H50146 [0,1,0,0,0,0|2,0,0]=3 518 B8R1.5 c1cc(c(nc1)F)O H32862 [0,1,0,0,0,0|1,0,0]=2 519 B8R1.5 c1cc(c(nc1)I)O L08667 [0,1,0,0,0,0|1,0,0]=2 520 B8R1.5 c1cc(c(nc1)N)Br L20006 [0,1,0,0,0,0|2,0,0]=3 521 B8R1.5 c1cc(c(nc1)N)Cl H30166 [0,1,0,0,0,0|2,0,0]=3 522 B8R1.5 c1cc(c(nc1)N)F H31970 [0,1,0,0,0,0|2,0,0]=3 523 B8R1.5 c1cc(c(nc1)N)I H50001 [0,1,0,0,0,0|2,0,0]=3 524 B8R1.5 c1cc(c(nc1)N)N A14618 [0,1,0,0,0,0|2,0,0]=3 525 B8R1.5 c1cc(c(nc1)N)O A10665 [0,1,0,0,0,0|1,0,0]=2 526 B8R1.5 c1cc(c(nc1)O)Br L20014 [0,1,0,0,0,0|1,0,0]=2 527 B8R1.5 c1cc(c(nc1)O)Cl L20027 [0,1,0,0,0,0|1,0,0]=2 528 B8R1.5 c1cc(c(nc1)O)F H31705 [0,1,0,0,0,0|1,0,0]=2 529 B8R1.5 c1cc(c(nc1)O)N H64480 [0,1,0,0,0,0|1,0,0]=2 530 B8R1.5 c1cc(c(nc1)O)O L07104 [0,1,0,0,0,0|1,0,0]=2 531 B8R1.5 c1cc[n+](c(c1)Br)[O-] L19857 [0,1,0,0,0,0|1,0,1]=3 532 B8R1.5 c1cc[n+](c(c1)Cl)[O-] H27280 [0,1,0,0,0,0|1,0,1]=3 533 B8R1.5 c1cc[n+](c(c1)Cl)[O-] L20033 [0,1,0,0,0,0|1,0,1]=3 534 B8R1.5 c1cc[n+](c(c1)O)[O-] H54207 [0,1,0,0,0,0|1,0,0]=2 535 B8R1.5 c1cc[n+](c(c1)S)[O-] A14152 [0,1,0,0,0,0|1,0,1]=3 536 B8R1.5 c1cc[n+](c(c1)[S-])[O-] A12303 [0,1,0,0,0,0|1,0,1]=3 537 B8R1.5 c1cc[n+](c(c1)[S-])[O-] A16922 [0,1,0,0,0,0|1,0,1]=3 538 B8R1.5 c1cc[n+](c(c1)[S-])[O-] B20529 [0,1,0,0,0,0|1,0,1]=3 539 B8R1.5 c1ccc(c(c1)Br)Br A14765 [0,1,0,0,0,0|1,0,0]=2 540 B8R1.5 c1ccc(c(c1)Br)I A17020 [0,1,0,0,0,0|1,0,0]=2 541 B8R1.5 c1ccc(c(c1)Cl)Br A11782 [0,1,0,0,0,0|1,0,0]=2 542 B8R1.5 c1ccc(c(c1)Cl)Cl 19385 [0,1,0,0,0,0|1,0,0]=2 543 B8R1.5 c1ccc(c(c1)Cl)Cl 32154 [0,1,0,0,0,0|1,0,0]=2 544 B8R1.5 c1ccc(c(c1)Cl)Cl A13881 [0,1,0,0,0,0|1,0,0]=2 545 B8R1.5 c1ccc(c(c1)Cl)I A18255 [0,1,0,0,0,0|1,0,0]=2 546 B8R1.5 c1ccc(c(c1)Cl)[Zn+] H58383 [0,1,0,0,0,0|1,0,0]=2 547 B8R1.5 c1ccc(c(c1)F)Br A10635 [0,1,0,0,0,0|1,0,0]=2 548 B8R1.5 c1ccc(c(c1)F)Cl B21209 [0,1,0,0,0,0|1,0,0]=2 549 B8R1.5 c1ccc(c(c1)F)F A10377 [0,1,0,0,0,0|1,0,0]=2 550 B8R1.5 c1ccc(c(c1)F)I A12411 [0,1,0,0,0,0|1,0,0]=2 551 B8R1.5 c1ccc(c(c1)F)S B24995 [0,1,0,0,0,0|0,1,0]=2 552 B8R1.5 c1ccc(c(c1)F)[Zn+] H58066 [0,1,0,0,0,0|1,0,0]=2 553 B8R1.5 c1ccc(c(c1)I)I B24425 [0,1,0,0,0,0|1,0,0]=2 554 B8R1.5 c1ccc(c(c1)N)Br A11788 [0,1,0,0,0,0|1,0,0]=2 555 B8R1.5 c1ccc(c(c1)N)Cl A15758 [0,1,0,0,0,0|1,0,0]=2 556 B8R1.5 c1ccc(c(c1)N)Cl L13483 [0,1,0,0,0,0|1,0,0]=2 557 B8R1.5 c1ccc(c(c1)N)F A12612 [0,1,0,0,0,0|1,0,0]=2 558 B8R1.5 c1ccc(c(c1)N)I A13059 [0,1,0,0,0,0|1,0,0]=2 559 B8R1.5 c1ccc(c(c1)N)N A11946 [0,1,0,0,0,0|1,0,0]=2 560 B8R1.5 c1ccc(c(c1)N)N J60354 [0,1,0,0,0,0|1,0,0]=2 561 B8R1.5 c1ccc(c(c1)N)O A13735 [0,1,0,0,0,0|0,0,0]=1 562 B8R1.5 c1ccc(c(c1)N)S A18952 [0,1,0,0,0,0|0,1,0]=2 563 B8R1.5 c1ccc(c(c1)O)Br A14112 [0,1,0,0,0,0|0,0,0]=1 564 B8R1.5 c1ccc(c(c1)O)Cl A10311 [0,1,0,0,0,0|0,0,0]=1 565 B8R1.5 c1ccc(c(c1)O)F A14979 [0,1,0,0,0,0|0,0,0]=1 566 B8R1.5 c1ccc(c(c1)O)I A13599 [0,1,0,0,0,0|0,0,0]=1 567 B8R1.5 c1ccc(c(c1)O)O A10164 [0,1,0,0,0,0|0,0,0]=1 568 B8R1.5 c1ccc(c(c1)O)S L12519 [0,1,0,0,0,0|0,0,0]=1 569 B8R1.5 c1ccc(c(c1)S)Br B25537 [0,1,0,0,0,0|0,1,0]=2 570 B8R1.5 c1ccc(c(c1)S)Cl A12014 [0,1,0,0,0,0|0,1,0]=2 571 B8R1.5 c1ccc(c(c1)S)S L11253 [0,1,0,0,0,0|0,1,0]=2 572 B8R1.5 c1cnc(c(n1)Cl)Cl L11500 [0,1,0,0,0,0|3,0,0]=4 573 B8R1.5 c1cnc(c(n1)N)Cl H27215 [0,1,0,0,0,0|3,0,0]=4 574 B8R1.5 c1cncc(c1Cl)Cl H63749 [0,1,0,0,0,0|2,0,0]=3 575 B8R1.5 c1cncc(c1Cl)F H27184 [0,1,0,0,0,0|2,0,0]=3 576 B8R1.5 c1cncc(c1Cl)N L19726 [0,1,0,0,0,0|2,0,0]=3 577 B8R1.5 c1cncc(c1I)Br H34203 [0,1,0,0,0,0|2,0,0]=3 578 B8R1.5 c1cncc(c1I)Cl H63866 [0,1,0,0,0,0|2,0,0]=3 579 B8R1.5 c1cncc(c1I)F H50068 [0,1,0,0,0,0|2,0,0]=3 580 B8R1.5 c1cncc(c1I)N H50023 [0,1,0,0,0,0|2,0,0]=3 581 B8R1.5 c1cncc(c1N)Br L19521 [0,1,0,0,0,0|2,0,0]=3 582 B8R1.5 c1cncc(c1N)Cl H31093 [0,1,0,0,0,0|2,0,0]=3 583 B8R1.5 c1cncc(c1N)F H32949 [0,1,0,0,0,0|2,0,0]=3 584 B8R1.5 c1cncc(c1N)I H50027 [0,1,0,0,0,0|2,0,0]=3 585 B8R1.5 c1cncc(c1N)N A12465 [0,1,0,0,0,0|2,0,0]=3 586 B8R1.5 c1cncc(c1N)O H35280 [0,1,0,0,0,0|1,0,0]=2 587 B8R1.5 c1cncc(c1O)Br H33754 [0,1,0,0,0,0|1,0,0]=2 588 B8R1.5 c1cncc(c1O)Cl H64783 [0,1,0,0,0,0|1,0,0]=2 589 B8R1.5 c1cncc(c1O)N H27205 [0,1,0,0,0,0|1,0,0]=2 590 B6R0.1 C=CCC(C=C)O L03182 [0,0,1,0,0,0|0,0,2]=3 591 B6R0.4 C=CCCC(=O)O A13991 [0,0,1,0,0,0|1,0,2]=4 592 B6R0.4 CC\C=C\C(=O)O A12689 [0,0,1,0,0,0|1,0,2]=4 593 B6R0.6 C\C=C\C=C\C=O A13200 [0,0,1,0,0,0|0,0,2]=3 594 B6R0.6 C\C=C\C=C\CO A12660 [0,0,1,0,0,0|0,0,2]=3 595 B8R2.34 C1C2C=CC1C=C2 44035 [0,0,0,1,0,0|1,0,2]=4 596 B8R2.34 C1C2C=CC1C=C2 44036 [0,0,0,1,0,0|1,0,2]=4 597 B8R2.34 C1C2C=CC1C=C2 L13935 [0,0,0,1,0,0|1,0,2]=4 598 B8R2.34 C1[C@H]2C=C[C@@H]1C=C2 10467 [0,0,0,1,0,0|1,0,2]=4 599 B6R1.2 C1C=CC(=C1)Br H26076 [0,0,0,0,1,0|1,0,1]=3 600 B6R1.2 C1C=CC(=O)O1 L13142 [0,0,0,0,1,0|1,0,2]=4 601 B6R1.2 C1C=CC=C1Br L17045 [0,0,0,0,1,0|1,0,1]=3 602 B6R1.2 C1C=CC=C1[Co] 23136 [0,0,0,0,1,0|1,0,1]=3 603 B6R1.2 C1C=CC=C1[Mn] 38606 [0,0,0,0,1,0|1,0,1]=3 604 B6R1.2 C1C=CC=C1[Mo+4] 40522 [0,0,0,0,1,0|1,0,1]=3 605 B6R1.2 C1C=CC=C1[Nb+4] 39246 [0,0,0,0,1,0|1,0,1]=3 606 B6R1.2 C1C=CC=C1[Re] 33655 [0,0,0,0,1,0|1,0,1]=3 607 B6R1.2 C1C=CC=C1[Ti+3] 77134 [0,0,0,0,1,0|1,0,1]=3 608 B6R1.2 C1C=CC=C1[Tl] 13958 [0,0,0,0,1,0|1,0,1]=3 609 B6R1.2 C1C=CC=C1[V] 81123 [0,0,0,0,1,0|1,0,1]=3 610 B6R1.2 C1C=CC=C1[Zr+3] 20617 [0,0,0,0,1,0|1,0,1]=3 611 B6R1.2 C1CC(=O)C=C1 B23408 [0,0,0,0,1,0|0,0,3]=4 612 B6R1.2 CC1=CC=CC1 H27241 [0,0,0,0,1,0|1,0,1]=3 613 B6R1.2 CC1=CCC=C1 H27464 [0,0,0,0,1,0|1,0,1]=3 614 B6R1.2 Cc1[nH]ccn1 A17063 [0,0,0,0,1,0|3,0,0]=4 615 B6R1.2 Cc1c[nH]cn1 B24139 [0,0,0,0,1,0|3,0,0]=4 616 B6R1.2 Cc1c[nH]cn1 L20184 [0,0,0,0,1,0|3,0,0]=4 617 B6R1.2 Cc1c[nH]nc1 A18083 [0,0,0,0,1,0|3,0,0]=4 618 B6R1.2 Cc1cc[nH]n1 L01618 [0,0,0,0,1,0|3,0,0]=4 619 B6R1.2 Cc1ccco1 B23692 [0,0,0,0,1,0|2,0,0]=3 620 B6R1.2 Cc1cccs1 A12736 [0,0,0,0,1,0|2,0,0]=3 621 B6R1.2 Cc1ccsc1 A13394 [0,0,0,0,1,0|2,0,0]=3 622 B6R1.2 Cc1cncs1 L15879 [0,0,0,0,1,0|3,0,0]=4 623 B6R1.2 Cc1cscn1 A15428 [0,0,0,0,1,0|3,0,0]=4 624 B6R1.2 Cn1cccc1 B21451 [0,0,0,0,1,0|2,0,0]=3 625 B6R1.2 Cn1cccn1 L14831 [0,0,0,0,1,0|3,0,0]=4 626 B6R1.2 Cn1ccnc1 A12575 [0,0,0,0,1,0|3,0,0]=4 627 B6R1.2 c1c(cn[nH]1)Br H64673 [0,0,0,0,1,0|3,0,0]=4 628 B6R1.2 c1c(cn[nH]1)I H56369 [0,0,0,0,1,0|3,0,0]=4 629 B6R1.2 c1c(cn[nH]1)N H28921 [0,0,0,0,1,0|3,0,0]=4 630 B6R1.2 c1c(nc[nH]1)Br H64972 [0,0,0,0,1,0|3,0,0]=4 631 B6R1.2 c1c(scn1)Br H55387 [0,0,0,0,1,0|3,0,0]=4 632 B6R1.2 c1c[nH]nc1I H36465 [0,0,0,0,1,0|3,0,0]=4 633 B6R1.2 c1c[nH]nc1N A14458 [0,0,0,0,1,0|3,0,0]=4 634 B6R1.2 c1cc(oc1)Br H63218 [0,0,0,0,1,0|2,0,0]=3 635 B6R1.2 c1cc(sc1)Br A11959 [0,0,0,0,1,0|2,0,0]=3 636 B6R1.2 c1cc(sc1)Cl A10390 [0,0,0,0,1,0|2,0,0]=3 637 B6R1.2 c1cc(sc1)I A12898 [0,0,0,0,1,0|2,0,0]=3 638 B6R1.2 c1cc(sc1)S B22642 [0,0,0,0,1,0|1,1,0]=3 639 B6R1.2 c1cc(sc1)[Zn+] H58397 [0,0,0,0,1,0|2,0,0]=3 640 B6R1.2 c1cnc([nH]1)Br H52553 [0,0,0,0,1,0|3,0,0]=4 641 B6R1.2 c1cnc([nH]1)Cl H51863 [0,0,0,0,1,0|3,0,0]=4 642 B6R1.2 c1cnc([nH]1)I H51868 [0,0,0,0,1,0|3,0,0]=4 643 B6R1.2 c1cnc([nH]1)N H25999 [0,0,0,0,1,0|3,0,0]=4 644 B6R1.2 c1cnc([nH]1)S L01346 [0,0,0,0,1,0|2,1,0]=4 645 B6R1.2 c1coc(=O)o1 41400 [0,0,0,0,1,0|2,0,1]=4 646 B6R1.2 c1coc(n1)N H34360 [0,0,0,0,1,0|3,0,0]=4 647 B6R1.2 c1cocc1Br B23543 [0,0,0,0,1,0|2,0,0]=3 648 B6R1.2 c1csc(n1)Br A14838 [0,0,0,0,1,0|3,0,0]=4 649 B6R1.2 c1csc(n1)Cl H50155 [0,0,0,0,1,0|3,0,0]=4 650 B6R1.2 c1csc(n1)N A12026 [0,0,0,0,1,0|3,0,0]=4 651 B6R1.2 c1csc(n1)N H65068 [0,0,0,0,1,0|3,0,0]=4 652 B6R1.2 c1csc(n1)S L07058 [0,0,0,0,1,0|2,1,0]=4 653 B6R1.2 c1csc(n1)[Zn+] H58497 [0,0,0,0,1,0|3,0,0]=4 654 B6R1.2 c1cscc1Br A14022 [0,0,0,0,1,0|2,0,0]=3 655 B6R1.2 c1cscc1Cl B22669 [0,0,0,0,1,0|2,0,0]=3 656 B6R1.2 c1cscc1I L17581 [0,0,0,0,1,0|2,0,0]=3 657 B8R1.22 c1cccc(=O)cc1 L00473 [0,0,0,0,0,1|0,0,1]=2 658 B5R0.1 C(=C/Cl)/C(=O)O A14798 [1,0,1,0,0,0|2,0,0]=4 659 B5R0.1 C(=C\Cl)/C(=O)O A15527 [1,0,1,0,0,0|2,0,0]=4 660 B5R0.1 C=CCC(=O)O L07557 [1,0,1,0,0,0|1,0,1]=4 661 B5R0.1 C\C=C\C(=O)O A15765 [1,0,1,0,0,0|1,0,1]=4 662 B5R0.2 C=CCCC=C A13650 [1,0,1,0,0,0|0,0,2]=4 663 B5R0.2 C=CCOC=C L13320 [1,0,1,0,0,0|1,0,1]=4 664 B5R0.2 C\C=C\C=C\C H53404 [1,0,1,0,0,0|0,0,2]=4 665 B5R0.2 C\C=C\CC=C B20060 [1,0,1,0,0,0|0,0,2]=4 666 B7R0.3 C=CCOC(=O)C=C 44463 [0,1,1,0,0,0|0,0,2]=4 667 B7R0.3 C=CCOC(=O)C=C L10138 [0,1,1,0,0,0|0,0,2]=4 668 B7R0.5 CC(=C)C(=O)OC=C L09584 [0,1,1,0,0,0|1,0,1]=4 669 B7R0.4 CC(=O)O\C=C\C=C A12519 [0,1,1,0,0,0|0,0,2]=4 670 B7R0.4 C\C=C\C=C\C(=O)O A16196 [0,1,1,0,0,0|1,0,0]=3 671 B7R0.4 C\C=C\C=C\C(=O)[O-] A12844 [0,1,1,0,0,0|1,0,1]=4 672 B7R0.6 C(=C/C(=O)O)/C(=O)O A14596 [0,1,1,0,0,0|2,0,0]=4 673 B7R0.6 C(=C\C(=O)O)/C(=O)O A10976 [0,1,1,0,0,0|2,0,0]=4 674 B7R0.6 C(=C\C(=O)O)/C(=O)O B25440 [0,1,1,0,0,0|2,0,0]=4 675 B7R0.6 C(=C\C(=O)[O-])/C(=O)O B24683 [0,1,1,0,0,0|2,0,0]=4 676 B7R0.6 CC(=O)\C=C\C(=O)O L02185 [0,1,1,0,0,0|1,0,1]=4 677 B7R0.1 CC\C=C\C=C\CO 15765 [0,1,1,0,0,0|0,0,2]=4 678 B7R1.1 C#Cc1ccsc1 H55898 [0,1,0,0,1,0|2,0,0]=4 679 B7R1.1 C1C=CC=C1C=O 39254 [0,1,0,0,1,0|0,0,2]=4 680 B7R1.1 C1C=CC=C1C=O 44292 [0,1,0,0,1,0|0,0,2]=4 681 B7R1.1 C1C=CC=C1CO 39257 [0,1,0,0,1,0|0,0,1]=3 682 B7R1.1 C=CC1=CC=CC1 17450 [0,1,0,0,1,0|1,0,1]=4 683 B7R1.1 CCC1=CC=CC1 39253 [0,1,0,0,1,0|1,0,1]=4 684 B7R1.1 CCC1=CC=CC1 H27592 [0,1,0,0,1,0|1,0,1]=4 685 B7R1.1 CCC1=CC=CC1 H27618 [0,1,0,0,1,0|1,0,1]=4 686 B7R1.1 CCC1=CC=CC1 H27769 [0,1,0,0,1,0|1,0,1]=4 687 B7R1.1 CCc1ccco1 A15520 [0,1,0,0,1,0|2,0,0]=4 688 B7R1.1 CCc1cccs1 A13372 [0,1,0,0,1,0|2,0,0]=4 689 B7R1.1 COc1ccco1 A15593 [0,1,0,0,1,0|1,0,0]=3 690 B7R1.1 COc1cccs1 A10455 [0,1,0,0,1,0|1,0,0]=3 691 B7R1.1 COc1ccsc1 B21940 [0,1,0,0,1,0|1,0,0]=3 692 B7R1.1 COc1nccs1 B25655 [0,1,0,0,1,0|2,0,0]=4 693 B7R1.1 CSc1cccs1 A11763 [0,1,0,0,1,0|1,1,0]=4 694 B7R1.1 C[Mn]C1=CC=CC1 47125 [0,1,0,0,1,0|1,0,1]=4 695 B7R1.1 c1c(nc[nH]1)CO L20182 [0,1,0,0,1,0|2,0,0]=4 696 B7R1.1 c1c[nH]cc1C=O H35559 [0,1,0,0,1,0|1,0,1]=4 697 B7R1.1 c1cc([nH]c1)C#N L15330 [0,1,0,0,1,0|2,0,0]=4 698 B7R1.1 c1cc([nH]c1)C=O A12838 [0,1,0,0,1,0|1,0,1]=4 699 B7R1.1 c1cc(oc1)C#N A12214 [0,1,0,0,1,0|2,0,0]=4 700 B7R1.1 c1cc(oc1)C=O 31305 [0,1,0,0,1,0|1,0,1]=4 701 B7R1.1 c1cc(oc1)C=O A16167 [0,1,0,0,1,0|1,0,1]=4 702 B7R1.1 c1cc(oc1)CN B23975 [0,1,0,0,1,0|2,0,0]=4 703 B7R1.1 c1cc(oc1)CO A10968 [0,1,0,0,1,0|1,0,0]=3 704 B7R1.1 c1cc(oc1)CS B22380 [0,1,0,0,1,0|1,1,0]=4 705 B7R1.1 c1cc(sc1)C#N A11930 [0,1,0,0,1,0|2,0,0]=4 706 B7R1.1 c1cc(sc1)C=O A14344 [0,1,0,0,1,0|1,0,1]=4 707 B7R1.1 c1cc(sc1)CN A11700 [0,1,0,0,1,0|2,0,0]=4 708 B7R1.1 c1cc(sc1)CO A15768 [0,1,0,0,1,0|1,0,0]=3 709 B7R1.1 c1cocc1C#N L14019 [0,1,0,0,1,0|2,0,0]=4 710 B7R1.1 c1cocc1C=O A11334 [0,1,0,0,1,0|1,0,1]=4 711 B7R1.1 c1cscc1C#N L13115 [0,1,0,0,1,0|2,0,0]=4 712 B7R1.1 c1cscc1C=O A14628 [0,1,0,0,1,0|1,0,1]=4 713 B7R1.1 c1cscc1CBr H61497 [0,1,0,0,1,0|2,0,0]=4 714 B7R1.1 c1cscc1CN H61487 [0,1,0,0,1,0|2,0,0]=4 715 B7R1.1 c1cscc1CO L01935 [0,1,0,0,1,0|1,0,0]=3 716 B7R1.2 C1=CC(=O)NC1=O A13135 [0,1,0,0,1,0|1,0,1]=4 717 B7R1.2 C1=CC(=O)OC1=O A12178 [0,1,0,0,1,0|1,0,1]=4 718 B7R1.2 C1=CC(=O)OC1=O H66064 [0,1,0,0,1,0|1,0,1]=4 719 B7R1.2 Cc1cc(no1)O 44450 [0,1,0,0,1,0|2,0,0]=4 720 B7R1.2 Cc1ccc(o1)C A12833 [0,1,0,0,1,0|2,0,0]=4 721 B7R1.2 Cc1ccc(s1)C A10869 [0,1,0,0,1,0|2,0,0]=4 722 B7R1.2 Cc1ccc(s1)Cl B21657 [0,1,0,0,1,0|2,0,0]=4 723 B7R1.2 c1c(csc1Br)Br L13591 [0,1,0,0,1,0|2,0,0]=4 724 B7R1.2 c1c(n[nH]c1O)N A11412 [0,1,0,0,1,0|2,0,0]=4 725 B7R1.2 c1cc(sc1Br)Br A13406 [0,1,0,0,1,0|2,0,0]=4 726 B7R1.2 c1cc(sc1Cl)Br A16682 [0,1,0,0,1,0|2,0,0]=4 727 B7R1.2 c1cc(sc1Cl)Cl A13839 [0,1,0,0,1,0|2,0,0]=4 728 B7R1.2 c1cc(sc1Cl)[Zn+] H58674 [0,1,0,0,1,0|2,0,0]=4 729 B7R1.2 c1cc(sc1I)I A12443 [0,1,0,0,1,0|2,0,0]=4 730 B7R1.2 c1cc(sc1[Zn+])Br H58942 [0,1,0,0,1,0|2,0,0]=4 731 B7R1.4 Cc1ccoc1C L15705 [0,1,0,0,1,0|2,0,0]=4 732 B7R1.4 Cc1ccsc1Br L11393 [0,1,0,0,1,0|2,0,0]=4 733 B7R1.4 Cc1ccsc1C H31641 [0,1,0,0,1,0|2,0,0]=4 734 B7R1.4 Cc1ccsc1Cl H27957 [0,1,0,0,1,0|2,0,0]=4 735 B7R1.4 c1c(c(cs1)Br)Br A10512 [0,1,0,0,1,0|2,0,0]=4 736 B7R1.4 c1coc(c1Br)Br L15518 [0,1,0,0,1,0|2,0,0]=4 737 B7R1.4 c1csc(c1Br)Br A12998 [0,1,0,0,1,0|2,0,0]=4 738 B7R1.4 c1csc(c1Br)Cl L19318 [0,1,0,0,1,0|2,0,0]=4 739 B7R1.4 c1csc(c1Cl)Cl L10578 [0,1,0,0,1,0|2,0,0]=4 740 B9R1.5 c1ccc(c(=O)cc1)O A11299 [0,1,0,0,0,1|0,0,0]=2 741 B9R1.1 C#Cc1ccc(cc1)Br L19082 [0,2,0,0,0,0|1,0,0]=3 742 B9R1.1 C#Cc1ccc(cc1)Cl H51058 [0,2,0,0,0,0|1,0,0]=3 743 B9R1.1 C#Cc1ccc(cc1)F H26269 [0,2,0,0,0,0|1,0,0]=3 744 B9R1.1 C=Cc1ccc(cc1)Br A17896 [0,2,0,0,0,0|1,0,0]=3 745 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [0,2,0,0,0,0|1,0,0]=3 746 B9R1.1 C=Cc1ccc(cc1)F A14775 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.1 C=Cc1ccc(cc1)N L11845 [0,2,0,0,0,0|1,0,0]=3 748 B9R1.1 C=Cc1ccc(cc1)O L10902 [0,2,0,0,0,0|0,0,0]=2 749 B9R1.1 CCc1ccc(cc1)Br A13013 [0,2,0,0,0,0|1,0,0]=3 750 B9R1.1 CCc1ccc(cc1)C L02120 [0,2,0,0,0,0|1,0,0]=3 751 B9R1.1 CCc1ccc(cc1)Cl L07931 [0,2,0,0,0,0|1,0,0]=3 752 B9R1.1 CCc1ccc(cc1)F L05940 [0,2,0,0,0,0|1,0,0]=3 753 B9R1.1 CCc1ccc(cc1)I A14138 [0,2,0,0,0,0|1,0,0]=3 754 B9R1.1 CCc1ccc(cc1)N B24652 [0,2,0,0,0,0|1,0,0]=3 755 B9R1.1 CCc1ccc(cc1)O B23433 [0,2,0,0,0,0|0,0,0]=2 756 B9R1.1 CCc1ccc(cc1)S B25026 [0,2,0,0,0,0|0,1,0]=3 757 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [0,2,0,0,0,0|1,0,0]=3 758 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [0,2,0,0,0,0|1,0,0]=3 759 B9R1.1 CCc1ccc(nc1)C L06901 [0,2,0,0,0,0|2,0,0]=4 760 B9R1.1 CNc1ccc(cc1)Br H55273 [0,2,0,0,0,0|1,0,0]=3 761 B9R1.1 CNc1ccc(cc1)Cl B23962 [0,2,0,0,0,0|1,0,0]=3 762 B9R1.1 CNc1ccc(cc1)F H55105 [0,2,0,0,0,0|1,0,0]=3 763 B9R1.1 CNc1ccc(cc1)O 36674 [0,2,0,0,0,0|0,0,0]=2 764 B9R1.1 CNc1ccc(cc1)O A16236 [0,2,0,0,0,0|0,0,0]=2 765 B9R1.1 COc1cc[n+](cc1)[O-] L04709 [0,2,0,0,0,0|1,0,0]=3 766 B9R1.1 COc1cc[n+](cc1)[O-] L17830 [0,2,0,0,0,0|1,0,0]=3 767 B9R1.1 COc1ccc(cc1)Br A11824 [0,2,0,0,0,0|0,0,0]=2 768 B9R1.1 COc1ccc(cc1)Cl A11377 [0,2,0,0,0,0|0,0,0]=2 769 B9R1.1 COc1ccc(cc1)F B23048 [0,2,0,0,0,0|0,0,0]=2 770 B9R1.1 COc1ccc(cc1)I A12144 [0,2,0,0,0,0|0,0,0]=2 771 B9R1.1 COc1ccc(cc1)N A10946 [0,2,0,0,0,0|0,0,0]=2 772 B9R1.1 COc1ccc(cc1)O A14845 [0,2,0,0,0,0|0,0,0]=2 773 B9R1.1 COc1ccc(cc1)O B23530 [0,2,0,0,0,0|0,0,0]=2 774 B9R1.1 COc1ccc(cc1)S A16009 [0,2,0,0,0,0|0,0,0]=2 775 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [0,2,0,0,0,0|0,0,0]=2 776 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [0,2,0,0,0,0|0,0,0]=2 777 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [0,2,0,0,0,0|0,0,0]=2 778 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [0,2,0,0,0,0|0,0,0]=2 779 B9R1.1 COc1ccc(cn1)Br L20017 [0,2,0,0,0,0|1,0,0]=3 780 B9R1.1 COc1ccc(cn1)Cl H59376 [0,2,0,0,0,0|1,0,0]=3 781 B9R1.1 COc1ccc(cn1)F H30991 [0,2,0,0,0,0|1,0,0]=3 782 B9R1.1 COc1ccc(cn1)I H50135 [0,2,0,0,0,0|1,0,0]=3 783 B9R1.1 COc1ccc(cn1)N H27528 [0,2,0,0,0,0|1,0,0]=3 784 B9R1.1 COc1ccc(nn1)Cl A14173 [0,2,0,0,0,0|2,0,0]=4 785 B9R1.1 COc1cnc(nc1)Cl H60155 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.1 COc1cnc(nc1)N H66799 [0,2,0,0,0,0|2,0,0]=4 787 B9R1.1 COc1ncc(cn1)Br H31918 [0,2,0,0,0,0|2,0,0]=4 788 B9R1.1 CSc1ccc(cc1)Br A15504 [0,2,0,0,0,0|0,1,0]=3 789 B9R1.1 CSc1ccc(cc1)Cl A11025 [0,2,0,0,0,0|0,1,0]=3 790 B9R1.1 CSc1ccc(cc1)F L04979 [0,2,0,0,0,0|0,1,0]=3 791 B9R1.1 CSc1ccc(cc1)N L04950 [0,2,0,0,0,0|0,1,0]=3 792 B9R1.1 CSc1ccc(cc1)O H26225 [0,2,0,0,0,0|0,0,0]=2 793 B9R1.1 CSc1ccc(cc1)S L09580 [0,2,0,0,0,0|0,1,0]=3 794 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [0,2,0,0,0,0|0,1,0]=3 795 B9R1.1 CSc1ccc(cn1)Br H27596 [0,2,0,0,0,0|1,1,0]=4 796 B9R1.1 Cc1ccc(cc1)C#C B24812 [0,2,0,0,0,0|1,0,0]=3 797 B9R1.1 Cc1ccc(cc1)C#N B23029 [0,2,0,0,0,0|1,0,0]=3 798 B9R1.1 Cc1ccc(cc1)C=C L01480 [0,2,0,0,0,0|1,0,0]=3 799 B9R1.1 Cc1ccc(cc1)C=O A11384 [0,2,0,0,0,0|0,0,1]=3 800 B9R1.1 Cc1ccc(cc1)CBr A13297 [0,2,0,0,0,0|1,0,0]=3 801 B9R1.1 Cc1ccc(cc1)CCl A17183 [0,2,0,0,0,0|1,0,0]=3 802 B9R1.1 Cc1ccc(cc1)CN A13768 [0,2,0,0,0,0|1,0,0]=3 803 B9R1.1 Cc1ccc(cc1)CO A15315 [0,2,0,0,0,0|0,0,0]=2 804 B9R1.1 Cc1ccc(cc1)CS A10467 [0,2,0,0,0,0|0,1,0]=3 805 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [0,2,0,0,0,0|1,0,0]=3 806 B9R1.1 Cc1ccc(cc1)NN A14220 [0,2,0,0,0,0|1,0,0]=3 807 B9R1.1 Cc1ccc(cc1)OC A11572 [0,2,0,0,0,0|0,0,0]=2 808 B9R1.1 Cc1ccc(cc1)SC L02933 [0,2,0,0,0,0|0,1,0]=3 809 B9R1.1 Cc1ccc(cn1)C#N L09875 [0,2,0,0,0,0|2,0,0]=4 810 B9R1.1 Cc1ccc(cn1)C=O H66926 [0,2,0,0,0,0|1,0,1]=4 811 B9R1.1 Cc1ccc(nc1)C#N H64539 [0,2,0,0,0,0|2,0,0]=4 812 B9R1.1 c1cc(ccc1C#N)Br A10914 [0,2,0,0,0,0|1,0,0]=3 813 B9R1.1 c1cc(ccc1C#N)Cl A14524 [0,2,0,0,0,0|1,0,0]=3 814 B9R1.1 c1cc(ccc1C#N)F A13028 [0,2,0,0,0,0|1,0,0]=3 815 B9R1.1 c1cc(ccc1C#N)I B25104 [0,2,0,0,0,0|1,0,0]=3 816 B9R1.1 c1cc(ccc1C#N)N A13794 [0,2,0,0,0,0|1,0,0]=3 817 B9R1.1 c1cc(ccc1C#N)O A15803 [0,2,0,0,0,0|0,0,0]=2 818 B9R1.1 c1cc(ccc1C#N)[Zn+] H58211 [0,2,0,0,0,0|1,0,0]=3 819 B9R1.1 c1cc(ccc1C=O)Br A14237 [0,2,0,0,0,0|0,0,1]=3 820 B9R1.1 c1cc(ccc1C=O)Cl A12757 [0,2,0,0,0,0|0,0,1]=3 821 B9R1.1 c1cc(ccc1C=O)F A15383 [0,2,0,0,0,0|0,0,1]=3 822 B9R1.1 c1cc(ccc1C=O)I L17448 [0,2,0,0,0,0|0,0,1]=3 823 B9R1.1 c1cc(ccc1C=O)O A13580 [0,2,0,0,0,0|0,0,0]=2 824 B9R1.1 c1cc(ccc1CBr)Br A10892 [0,2,0,0,0,0|1,0,0]=3 825 B9R1.1 c1cc(ccc1CBr)Cl B22858 [0,2,0,0,0,0|1,0,0]=3 826 B9R1.1 c1cc(ccc1CBr)F A10208 [0,2,0,0,0,0|1,0,0]=3 827 B9R1.1 c1cc(ccc1CBr)I A18200 [0,2,0,0,0,0|1,0,0]=3 828 B9R1.1 c1cc(ccc1CCl)Br L11486 [0,2,0,0,0,0|1,0,0]=3 829 B9R1.1 c1cc(ccc1CCl)Cl A14696 [0,2,0,0,0,0|1,0,0]=3 830 B9R1.1 c1cc(ccc1CCl)F A14686 [0,2,0,0,0,0|1,0,0]=3 831 B9R1.1 c1cc(ccc1CN)Br A10979 [0,2,0,0,0,0|1,0,0]=3 832 B9R1.1 c1cc(ccc1CN)Cl A13984 [0,2,0,0,0,0|1,0,0]=3 833 B9R1.1 c1cc(ccc1CN)F A15486 [0,2,0,0,0,0|1,0,0]=3 834 B9R1.1 c1cc(ccc1CN)I L17450 [0,2,0,0,0,0|1,0,0]=3 835 B9R1.1 c1cc(ccc1CN)I L19967 [0,2,0,0,0,0|1,0,0]=3 836 B9R1.1 c1cc(ccc1CO)Br A13197 [0,2,0,0,0,0|0,0,0]=2 837 B9R1.1 c1cc(ccc1CO)Cl A11504 [0,2,0,0,0,0|0,0,0]=2 838 B9R1.1 c1cc(ccc1CO)F A12336 [0,2,0,0,0,0|0,0,0]=2 839 B9R1.1 c1cc(ccc1CO)I L19278 [0,2,0,0,0,0|0,0,0]=2 840 B9R1.1 c1cc(ccc1CO)N A14130 [0,2,0,0,0,0|0,0,0]=2 841 B9R1.1 c1cc(ccc1CO)O A13132 [0,2,0,0,0,0|0,0,0]=2 842 B9R1.1 c1cc(ccc1CS)Br H26299 [0,2,0,0,0,0|0,1,0]=3 843 B9R1.1 c1cc(ccc1CS)Cl A19876 [0,2,0,0,0,0|0,1,0]=3 844 B9R1.1 c1cc(ccc1CS)F A10126 [0,2,0,0,0,0|0,1,0]=3 845 B9R1.1 c1cc(ccc1C[Mg+])Br H60905 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.1 c1cc(ccc1C[Mg+])Cl H54625 [0,2,0,0,0,0|1,0,0]=3 847 B9R1.1 c1cc(ccc1C[Mg+])F H54990 [0,2,0,0,0,0|1,0,0]=3 848 B9R1.1 c1cc(ccc1C[Zn+])Br H58662 [0,2,0,0,0,0|1,0,0]=3 849 B9R1.1 c1cc(ccc1C[Zn+])Cl H58532 [0,2,0,0,0,0|1,0,0]=3 850 B9R1.1 c1cc(ccc1C[Zn+])F H58847 [0,2,0,0,0,0|1,0,0]=3 851 B9R1.1 c1cc(ccc1NN)Br A15590 [0,2,0,0,0,0|1,0,0]=3 852 B9R1.1 c1cc(ccc1NN)Cl A14518 [0,2,0,0,0,0|1,0,0]=3 853 B9R1.1 c1cc(ccc1NN)F A15624 [0,2,0,0,0,0|1,0,0]=3 854 B9R1.1 c1cc(ccc1NN)I L14806 [0,2,0,0,0,0|1,0,0]=3 855 B9R1.1 c1cc(ccc1[N+]#N)Br B25670 [0,2,0,0,0,0|1,0,0]=3 856 B9R1.1 c1cc(ncc1Br)C#N L19621 [0,2,0,0,0,0|2,0,0]=4 857 B9R1.1 c1cc(ncc1Br)C=O H50154 [0,2,0,0,0,0|1,0,1]=4 858 B9R1.1 c1cc(ncc1C#N)Br H66177 [0,2,0,0,0,0|2,0,0]=4 859 B9R1.1 c1cc(ncc1C#N)Cl A13291 [0,2,0,0,0,0|2,0,0]=4 860 B9R1.1 c1cc(ncc1C#N)F H64278 [0,2,0,0,0,0|2,0,0]=4 861 B9R1.1 c1cc(ncc1C#N)N L19282 [0,2,0,0,0,0|2,0,0]=4 862 B9R1.1 c1cc(ncc1C=O)Br H63867 [0,2,0,0,0,0|1,0,1]=4 863 B9R1.1 c1cc(ncc1C=O)Cl H55550 [0,2,0,0,0,0|1,0,1]=4 864 B9R1.1 c1cc(ncc1CCl)Cl L19284 [0,2,0,0,0,0|2,0,0]=4 865 B9R1.1 c1cc(ncc1CN)Cl L19283 [0,2,0,0,0,0|2,0,0]=4 866 B9R1.1 c1cc(ncc1CO)Br H61375 [0,2,0,0,0,0|1,0,0]=3 867 B9R1.1 c1cc(ncc1CO)Cl L19285 [0,2,0,0,0,0|1,0,0]=3 868 B9R1.1 c1cc(ncc1CO)N H33416 [0,2,0,0,0,0|1,0,0]=3 869 B9R1.1 c1cc(ncc1Cl)C#N H64846 [0,2,0,0,0,0|2,0,0]=4 870 B9R1.1 c1cc(ncc1F)C#N H25956 [0,2,0,0,0,0|2,0,0]=4 871 B9R1.1 c1cc(ncc1N)C#N H28960 [0,2,0,0,0,0|2,0,0]=4 872 B9R1.2 C#Cc1cccc(c1)N L20124 [0,2,0,0,0,0|1,0,0]=3 873 B9R1.2 C#Cc1cccc(c1)O L11523 [0,2,0,0,0,0|0,0,0]=2 874 B9R1.2 C=Cc1cccc(c1)Br B24497 [0,2,0,0,0,0|1,0,0]=3 875 B9R1.2 C=Cc1cccc(c1)Cl B23806 [0,2,0,0,0,0|1,0,0]=3 876 B9R1.2 C=Cc1cccc(c1)F A12406 [0,2,0,0,0,0|1,0,0]=3 877 B9R1.2 CC[n+]1cccc(c1)O H55169 [0,2,0,0,0,0|1,0,0]=3 878 B9R1.2 CCc1cccc(c1)Br A12258 [0,2,0,0,0,0|1,0,0]=3 879 B9R1.2 CCc1cccc(c1)C L18788 [0,2,0,0,0,0|1,0,0]=3 880 B9R1.2 CCc1cccc(c1)O B23470 [0,2,0,0,0,0|0,0,0]=2 881 B9R1.2 CCc1cccc(n1)N A19146 [0,2,0,0,0,0|2,0,0]=4 882 B9R1.2 CCc1ccnc(c1)N A18754 [0,2,0,0,0,0|2,0,0]=4 883 B9R1.2 CNc1cccc(c1)Br H55464 [0,2,0,0,0,0|1,0,0]=3 884 B9R1.2 CNc1cccc(c1)Cl A12418 [0,2,0,0,0,0|1,0,0]=3 885 B9R1.2 CNc1cccc(c1)F B22565 [0,2,0,0,0,0|1,0,0]=3 886 B9R1.2 COc1cc(ccn1)Br H64026 [0,2,0,0,0,0|1,0,0]=3 887 B9R1.2 COc1cc(cnc1)Br H27728 [0,2,0,0,0,0|1,0,0]=3 888 B9R1.2 COc1cccc(c1)Br A15625 [0,2,0,0,0,0|0,0,0]=2 889 B9R1.2 COc1cccc(c1)Cl A17327 [0,2,0,0,0,0|0,0,0]=2 890 B9R1.2 COc1cccc(c1)F A10931 [0,2,0,0,0,0|0,0,0]=2 891 B9R1.2 COc1cccc(c1)I A14208 [0,2,0,0,0,0|0,0,0]=2 892 B9R1.2 COc1cccc(c1)N A10815 [0,2,0,0,0,0|0,0,0]=2 893 B9R1.2 COc1cccc(c1)O A12826 [0,2,0,0,0,0|0,0,0]=2 894 B9R1.2 COc1cccc(c1)S A10648 [0,2,0,0,0,0|0,0,0]=2 895 B9R1.2 COc1cccc(c1)[Mg+] H54780 [0,2,0,0,0,0|0,0,0]=2 896 B9R1.2 COc1cccc(c1)[Zn+] H58982 [0,2,0,0,0,0|0,0,0]=2 897 B9R1.2 COc1cccc(n1)Br H30593 [0,2,0,0,0,0|1,0,0]=3 898 B9R1.2 COc1cccc(n1)Cl L05997 [0,2,0,0,0,0|1,0,0]=3 899 B9R1.2 COc1cccc(n1)F H32994 [0,2,0,0,0,0|1,0,0]=3 900 B9R1.2 COc1cccc(n1)N H66436 [0,2,0,0,0,0|1,0,0]=3 901 B9R1.2 COc1ccnc(c1)Cl L17697 [0,2,0,0,0,0|1,0,0]=3 902 B9R1.2 COc1ccnc(c1)N H66125 [0,2,0,0,0,0|1,0,0]=3 903 B9R1.2 COc1cncc(n1)N H61990 [0,2,0,0,0,0|2,0,0]=4 904 B9R1.2 CSc1cccc(c1)Br B25406 [0,2,0,0,0,0|0,1,0]=3 905 B9R1.2 CSc1cccc(c1)Cl L11346 [0,2,0,0,0,0|0,1,0]=3 906 B9R1.2 CSc1cccc(c1)N B23184 [0,2,0,0,0,0|0,1,0]=3 907 B9R1.2 Cc1cc(cnc1)C#N L17427 [0,2,0,0,0,0|2,0,0]=4 908 B9R1.2 Cc1cccc(c1)C#C L17184 [0,2,0,0,0,0|1,0,0]=3 909 B9R1.2 Cc1cccc(c1)C#N A13165 [0,2,0,0,0,0|1,0,0]=3 910 B9R1.2 Cc1cccc(c1)C=C L08072 [0,2,0,0,0,0|1,0,0]=3 911 B9R1.2 Cc1cccc(c1)C=O A15313 [0,2,0,0,0,0|0,0,1]=3 912 B9R1.2 Cc1cccc(c1)CBr B24731 [0,2,0,0,0,0|1,0,0]=3 913 B9R1.2 Cc1cccc(c1)CCl A10784 [0,2,0,0,0,0|1,0,0]=3 914 B9R1.2 Cc1cccc(c1)CN L04922 [0,2,0,0,0,0|1,0,0]=3 915 B9R1.2 Cc1cccc(c1)CO B20875 [0,2,0,0,0,0|0,0,0]=2 916 B9R1.2 Cc1cccc(c1)CS L12043 [0,2,0,0,0,0|0,1,0]=3 917 B9R1.2 Cc1cccc(c1)C[Mg+] H54617 [0,2,0,0,0,0|1,0,0]=3 918 B9R1.2 Cc1cccc(c1)NN A13667 [0,2,0,0,0,0|1,0,0]=3 919 B9R1.2 Cc1cccc(c1)NN L11958 [0,2,0,0,0,0|1,0,0]=3 920 B9R1.2 Cc1cccc(c1)OC B21455 [0,2,0,0,0,0|0,0,0]=2 921 B9R1.2 Cc1cccc(n1)C#N H64148 [0,2,0,0,0,0|2,0,0]=4 922 B9R1.2 Cc1cccc(n1)C=O H26841 [0,2,0,0,0,0|1,0,1]=4 923 B9R1.2 Cc1cccc(n1)CBr H55438 [0,2,0,0,0,0|2,0,0]=4 924 B9R1.2 Cc1cccc(n1)CO H26794 [0,2,0,0,0,0|1,0,0]=3 925 B9R1.2 Cc1cccc(n1)OC H25772 [0,2,0,0,0,0|1,0,0]=3 926 B9R1.2 Cc1ccnc(c1)C#N L17148 [0,2,0,0,0,0|2,0,0]=4 927 B9R1.2 c1c(cncc1Br)C#N B24835 [0,2,0,0,0,0|2,0,0]=4 928 B9R1.2 c1c(cncc1Br)C=O H59224 [0,2,0,0,0,0|1,0,1]=4 929 B9R1.2 c1c(cncc1Br)CCl H66131 [0,2,0,0,0,0|2,0,0]=4 930 B9R1.2 c1c(cncc1Br)CO H52339 [0,2,0,0,0,0|1,0,0]=3 931 B9R1.2 c1c(cncc1F)C#N H34292 [0,2,0,0,0,0|2,0,0]=4 932 B9R1.2 c1c(cncc1O)C#N H33006 [0,2,0,0,0,0|1,0,0]=3 933 B9R1.2 c1cc(c[n+](c1)[O-])C#N A19961 [0,2,0,0,0,0|1,0,1]=4 934 B9R1.2 c1cc(cc(c1)Br)C#N A13317 [0,2,0,0,0,0|1,0,0]=3 935 B9R1.2 c1cc(cc(c1)Br)C=O A11941 [0,2,0,0,0,0|0,0,1]=3 936 B9R1.2 c1cc(cc(c1)Br)CBr A15075 [0,2,0,0,0,0|1,0,0]=3 937 B9R1.2 c1cc(cc(c1)Br)CCl L12458 [0,2,0,0,0,0|1,0,0]=3 938 B9R1.2 c1cc(cc(c1)Br)CN A16132 [0,2,0,0,0,0|1,0,0]=3 939 B9R1.2 c1cc(cc(c1)Br)CN B24963 [0,2,0,0,0,0|1,0,0]=3 940 B9R1.2 c1cc(cc(c1)Br)CO A10929 [0,2,0,0,0,0|0,0,0]=2 941 B9R1.2 c1cc(cc(c1)Br)CS H26358 [0,2,0,0,0,0|0,1,0]=3 942 B9R1.2 c1cc(cc(c1)Br)C[Mg+] H60329 [0,2,0,0,0,0|1,0,0]=3 943 B9R1.2 c1cc(cc(c1)Br)C[Zn+] H58983 [0,2,0,0,0,0|1,0,0]=3 944 B9R1.2 c1cc(cc(c1)Br)NN B23510 [0,2,0,0,0,0|1,0,0]=3 945 B9R1.2 c1cc(cc(c1)Cl)C#N A13237 [0,2,0,0,0,0|1,0,0]=3 946 B9R1.2 c1cc(cc(c1)Cl)C=O A13254 [0,2,0,0,0,0|0,0,1]=3 947 B9R1.2 c1cc(cc(c1)Cl)CBr A15844 [0,2,0,0,0,0|1,0,0]=3 948 B9R1.2 c1cc(cc(c1)Cl)CCl A11041 [0,2,0,0,0,0|1,0,0]=3 949 B9R1.2 c1cc(cc(c1)Cl)CN A14078 [0,2,0,0,0,0|1,0,0]=3 950 B9R1.2 c1cc(cc(c1)Cl)CO A11841 [0,2,0,0,0,0|0,0,0]=2 951 B9R1.2 c1cc(cc(c1)Cl)C[Mg+] H54237 [0,2,0,0,0,0|1,0,0]=3 952 B9R1.2 c1cc(cc(c1)Cl)C[Zn+] H58753 [0,2,0,0,0,0|1,0,0]=3 953 B9R1.2 c1cc(cc(c1)Cl)NN A14770 [0,2,0,0,0,0|1,0,0]=3 954 B9R1.2 c1cc(cc(c1)F)C#N B23426 [0,2,0,0,0,0|1,0,0]=3 955 B9R1.2 c1cc(cc(c1)F)C=O A11396 [0,2,0,0,0,0|0,0,1]=3 956 B9R1.2 c1cc(cc(c1)F)CBr A15446 [0,2,0,0,0,0|1,0,0]=3 957 B9R1.2 c1cc(cc(c1)F)CCl A12665 [0,2,0,0,0,0|1,0,0]=3 958 B9R1.2 c1cc(cc(c1)F)CN B23527 [0,2,0,0,0,0|1,0,0]=3 959 B9R1.2 c1cc(cc(c1)F)CO A12509 [0,2,0,0,0,0|0,0,0]=2 960 B9R1.2 c1cc(cc(c1)F)C[Mg+] H54485 [0,2,0,0,0,0|1,0,0]=3 961 B9R1.2 c1cc(cc(c1)F)C[Zn+] H58707 [0,2,0,0,0,0|1,0,0]=3 962 B9R1.2 c1cc(cc(c1)F)NN L07418 [0,2,0,0,0,0|1,0,0]=3 963 B9R1.2 c1cc(cc(c1)I)C#N B22020 [0,2,0,0,0,0|1,0,0]=3 964 B9R1.2 c1cc(cc(c1)I)C=O L17447 [0,2,0,0,0,0|0,0,1]=3 965 B9R1.2 c1cc(cc(c1)I)CBr A11140 [0,2,0,0,0,0|1,0,0]=3 966 B9R1.2 c1cc(cc(c1)I)CN L05622 [0,2,0,0,0,0|1,0,0]=3 967 B9R1.2 c1cc(cc(c1)I)CN L17801 [0,2,0,0,0,0|1,0,0]=3 968 B9R1.2 c1cc(cc(c1)I)CO L05309 [0,2,0,0,0,0|0,0,0]=2 969 B9R1.2 c1cc(cc(c1)N)C#N A13995 [0,2,0,0,0,0|1,0,0]=3 970 B9R1.2 c1cc(cc(c1)N)CO L07847 [0,2,0,0,0,0|0,0,0]=2 971 B9R1.2 c1cc(cc(c1)O)C#N B21702 [0,2,0,0,0,0|0,0,0]=2 972 B9R1.2 c1cc(cc(c1)O)C=O A13541 [0,2,0,0,0,0|0,0,0]=2 973 B9R1.2 c1cc(cc(c1)O)CN H35708 [0,2,0,0,0,0|0,0,0]=2 974 B9R1.2 c1cc(cc(c1)O)CO A15981 [0,2,0,0,0,0|0,0,0]=2 975 B9R1.2 c1cc(nc(c1)Br)C=O L19518 [0,2,0,0,0,0|1,0,1]=4 976 B9R1.2 c1cc(nc(c1)Br)CO H56123 [0,2,0,0,0,0|1,0,0]=3 977 B9R1.2 c1cc(nc(c1)Br)NN H64664 [0,2,0,0,0,0|2,0,0]=4 978 B9R1.2 c1cc(nc(c1)Cl)C#N H27748 [0,2,0,0,0,0|2,0,0]=4 979 B9R1.2 c1cc(nc(c1)Cl)C=O H64129 [0,2,0,0,0,0|1,0,1]=4 980 B9R1.2 c1cc(nc(c1)Cl)NN H27249 [0,2,0,0,0,0|2,0,0]=4 981 B9R1.2 c1cc(nc(c1)F)C#N H27600 [0,2,0,0,0,0|2,0,0]=4 982 B9R1.2 c1cc(nc(c1)N)CO H33485 [0,2,0,0,0,0|1,0,0]=3 983 B9R1.2 c1cnc(cc1Br)C#N H34424 [0,2,0,0,0,0|2,0,0]=4 984 B9R1.2 c1cnc(cc1C#N)Br H27191 [0,2,0,0,0,0|2,0,0]=4 985 B9R1.2 c1cnc(cc1C#N)Cl L19858 [0,2,0,0,0,0|2,0,0]=4 986 B9R1.2 c1cnc(cc1C#N)F H25938 [0,2,0,0,0,0|2,0,0]=4 987 B9R1.2 c1cnc(cc1C#N)I H31065 [0,2,0,0,0,0|2,0,0]=4 988 B9R1.2 c1cnc(cc1C#N)N L19841 [0,2,0,0,0,0|2,0,0]=4 989 B9R1.2 c1cnc(cc1C=O)Br L19852 [0,2,0,0,0,0|1,0,1]=4 990 B9R1.2 c1cnc(cc1C=O)Cl H50098 [0,2,0,0,0,0|1,0,1]=4 991 B9R1.2 c1cnc(cc1CO)Br L19856 [0,2,0,0,0,0|1,0,0]=3 992 B9R1.2 c1cnc(cc1CO)Cl H50099 [0,2,0,0,0,0|1,0,0]=3 993 B9R1.2 c1cnc(cc1CO)N L19846 [0,2,0,0,0,0|1,0,0]=3 994 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [0,2,0,0,0,0|1,0,0]=3 995 B9R1.6 B(c1ccccc1)(O)O A14257 [0,2,0,0,0,0|0,0,0]=2 996 B9R1.6 B(c1ccccc1)(O)O L19459 [0,2,0,0,0,0|0,0,0]=2 997 B9R1.6 B(c1ccccn1)(O)O H53314 [0,2,0,0,0,0|1,0,0]=3 998 B9R1.6 B(c1cccnc1)(O)O L15040 [0,2,0,0,0,0|1,0,0]=3 999 B9R1.6 B(c1ccncc1)(O)O H52648 [0,2,0,0,0,0|1,0,0]=3 1000 B9R1.6 B(c1ccncc1)(O)O L15179 [0,2,0,0,0,0|1,0,0]=3 1001 B9R1.6 B(c1cncnc1)(O)O H29212 [0,2,0,0,0,0|2,0,0]=4 1002 B9R1.6 B(c1cncnc1)(O)O H52984 [0,2,0,0,0,0|2,0,0]=4 1003 B9R1.6 CC(=C)c1ccccc1 L03609 [0,2,0,0,0,0|1,0,0]=3 1004 B9R1.6 CC(=O)c1ccccc1 A12727 [0,2,0,0,0,0|0,0,1]=3 1005 B9R1.6 CC(=O)c1ccccn1 A12688 [0,2,0,0,0,0|1,0,1]=4 1006 B9R1.6 CC(=O)c1cccnc1 A14246 [0,2,0,0,0,0|1,0,1]=4 1007 B9R1.6 CC(=O)c1ccncc1 A12015 [0,2,0,0,0,0|1,0,1]=4 1008 B9R1.6 CC(C)c1ccccc1 A11864 [0,2,0,0,0,0|1,0,0]=3 1009 B9R1.6 CC(c1ccccc1)Br A16839 [0,2,0,0,0,0|1,0,0]=3 1010 B9R1.6 CC(c1ccccc1)N A15711 [0,2,0,0,0,0|1,0,0]=3 1011 B9R1.6 CC(c1ccccc1)O A13837 [0,2,0,0,0,0|0,0,0]=2 1012 B9R1.6 CC(c1ccccc1)S H26345 [0,2,0,0,0,0|0,1,0]=3 1013 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [0,2,0,0,0,0|1,0,0]=3 1014 B9R1.6 CC(c1ccccn1)N H26046 [0,2,0,0,0,0|2,0,0]=4 1015 B9R1.6 CC(c1cccnc1)N H26047 [0,2,0,0,0,0|2,0,0]=4 1016 B9R1.6 CC(c1ccncc1)N H50303 [0,2,0,0,0,0|2,0,0]=4 1017 B9R1.6 CC(c1ccncc1)O H58711 [0,2,0,0,0,0|1,0,0]=3 1018 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [0,2,0,0,0,0|2,0,0]=4 1019 B9R1.6 CN(C)c1ccccc1 A11916 [0,2,0,0,0,0|1,0,0]=3 1020 B9R1.6 CN(C)c1ccccn1 L02513 [0,2,0,0,0,0|2,0,0]=4 1021 B9R1.6 CN(C)c1ccncc1 A13016 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.6 CN(C)c1ccncc1 H51715 [0,2,0,0,0,0|2,0,0]=4 1023 B9R1.6 CN(c1ccccc1)N B22440 [0,2,0,0,0,0|1,0,0]=3 1024 B9R1.6 CP(C)c1ccccc1 A17975 [0,2,0,0,0,0|1,0,0]=3 1025 B9R1.6 CS(=O)c1ccccc1 A15009 [0,2,0,0,0,0|0,0,1]=3 1026 B9R1.6 C[C@@H](c1ccccc1)N A12632 [0,2,0,0,0,0|1,0,0]=3 1027 B9R1.6 C[C@@H](c1ccccc1)N L19118 [0,2,0,0,0,0|1,0,0]=3 1028 B9R1.6 C[C@@H](c1ccccc1)O B21188 [0,2,0,0,0,0|0,0,0]=2 1029 B9R1.6 C[C@H](c1ccccc1)N A10967 [0,2,0,0,0,0|1,0,0]=3 1030 B9R1.6 C[C@H](c1ccccc1)N L19117 [0,2,0,0,0,0|1,0,0]=3 1031 B9R1.6 C[C@H](c1ccccc1)O L19296 [0,2,0,0,0,0|0,0,0]=2 1032 B9R1.6 C[C@H](c1ccncc1)O H51033 [0,2,0,0,0,0|1,0,0]=3 1033 B9R1.6 C[SiH](C)c1ccccc1 L04558 [0,2,0,0,0,0|1,0,0]=3 1034 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [0,2,0,0,0,0|0,0,1]=3 1035 B9R1.6 c1c(cncn1)C(=O)O H61406 [0,2,0,0,0,0|2,0,0]=4 1036 B9R1.6 c1cc(cnc1)C(=N)N B20406 [0,2,0,0,0,0|2,0,0]=4 1037 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [0,2,0,0,0,0|1,0,1]=4 1038 B9R1.6 c1cc(cnc1)C(=O)N A15970 [0,2,0,0,0,0|1,0,1]=4 1039 B9R1.6 c1cc(cnc1)C(=O)O A12683 [0,2,0,0,0,0|1,0,0]=3 1040 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [0,2,0,0,0,0|1,0,1]=4 1041 B9R1.6 c1cc(cnc1)C(=S)N A11144 [0,2,0,0,0,0|1,1,0]=4 1042 B9R1.6 c1cc(cnc1)C(F)F H33189 [0,2,0,0,0,0|2,0,0]=4 1043 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [0,2,0,0,0,0|1,0,1]=4 1044 B9R1.6 c1cc(nnc1)C(=O)O H34341 [0,2,0,0,0,0|2,0,0]=4 1045 B9R1.6 c1ccc(cc1)C(=N)N A16002 [0,2,0,0,0,0|1,0,0]=3 1046 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [0,2,0,0,0,0|0,0,1]=3 1047 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [0,2,0,0,0,0|0,0,1]=3 1048 B9R1.6 c1ccc(cc1)C(=O)F L11464 [0,2,0,0,0,0|0,0,1]=3 1049 B9R1.6 c1ccc(cc1)C(=O)N A10501 [0,2,0,0,0,0|0,0,1]=3 1050 B9R1.6 c1ccc(cc1)C(=O)O 36230 [0,2,0,0,0,0|0,0,0]=2 1051 B9R1.6 c1ccc(cc1)C(=O)O A14062 [0,2,0,0,0,0|0,0,0]=2 1052 B9R1.6 c1ccc(cc1)C(=O)O H25864 [0,2,0,0,0,0|0,0,0]=2 1053 B9R1.6 c1ccc(cc1)C(=O)O L19473 [0,2,0,0,0,0|0,0,0]=2 1054 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [0,2,0,0,0,0|0,0,1]=3 1055 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [0,2,0,0,0,0|0,0,1]=3 1056 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [0,2,0,0,0,0|0,0,1]=3 1057 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [0,2,0,0,0,0|0,0,1]=3 1058 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [0,2,0,0,0,0|0,0,1]=3 1059 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [0,2,0,0,0,0|0,0,1]=3 1060 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [0,2,0,0,0,0|0,0,1]=3 1061 B9R1.6 c1ccc(cc1)C(=S)N A12973 [0,2,0,0,0,0|0,1,0]=3 1062 B9R1.6 c1ccc(cc1)C(=S)O B24458 [0,2,0,0,0,0|0,0,0]=2 1063 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [0,2,0,0,0,0|0,0,1]=3 1064 B9R1.6 c1ccc(cc1)P(=O)O A17453 [0,2,0,0,0,0|0,0,0]=2 1065 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [0,2,0,0,0,0|1,0,0]=3 1066 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [0,2,0,0,0,0|0,0,1]=3 1067 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [0,2,0,0,0,0|0,0,1]=3 1068 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [0,2,0,0,0,0|0,0,1]=3 1069 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [0,2,0,0,0,0|0,0,1]=3 1070 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [0,2,0,0,0,0|1,0,0]=3 1071 B9R1.6 c1ccnc(c1)C(=N)N A10942 [0,2,0,0,0,0|2,0,0]=4 1072 B9R1.6 c1ccnc(c1)C(=O)N A15410 [0,2,0,0,0,0|1,0,1]=4 1073 B9R1.6 c1ccnc(c1)C(=O)O A14749 [0,2,0,0,0,0|1,0,0]=3 1074 B9R1.6 c1ccnc(c1)C(=S)N H51710 [0,2,0,0,0,0|1,1,0]=4 1075 B9R1.6 c1ccnc(c1)C(F)F H33258 [0,2,0,0,0,0|2,0,0]=4 1076 B9R1.6 c1ccnc(c1)[N+](=O)[O-] H33657 [0,2,0,0,0,0|1,0,1]=4 1077 B9R1.6 c1cnc(cn1)C(=O)O A13363 [0,2,0,0,0,0|2,0,0]=4 1078 B9R1.6 c1cnc(nc1)C(=O)O H54745 [0,2,0,0,0,0|2,0,0]=4 1079 B9R1.6 c1cnccc1C(=N)N A11050 [0,2,0,0,0,0|2,0,0]=4 1080 B9R1.6 c1cnccc1C(=O)Cl A10863 [0,2,0,0,0,0|1,0,1]=4 1081 B9R1.6 c1cnccc1C(=O)N A18190 [0,2,0,0,0,0|1,0,1]=4 1082 B9R1.6 c1cnccc1C(=O)O A18109 [0,2,0,0,0,0|1,0,0]=3 1083 B9R1.6 c1cnccc1C(=S)N B25265 [0,2,0,0,0,0|1,1,0]=4 1084 B9R1.6 c1cnccc1C(F)F H34075 [0,2,0,0,0,0|2,0,0]=4 1085 B9R1.6 c1cncnc1C(=O)O H60022 [0,2,0,0,0,0|2,0,0]=4 1086 B9R1.6 c1cnncc1C(=O)O H27246 [0,2,0,0,0,0|2,0,0]=4 1087 B9R1.8 C#CCc1ccccc1 H53500 [0,2,0,0,0,0|1,0,0]=3 1088 B9R1.8 C=CCc1ccccc1 A12965 [0,2,0,0,0,0|1,0,0]=3 1089 B9R1.8 CC#Cc1ccccc1 A14272 [0,2,0,0,0,0|1,0,0]=3 1090 B9R1.8 CCCc1ccccc1 B21468 [0,2,0,0,0,0|1,0,0]=3 1091 B9R1.8 CCNc1ccccc1 A15060 [0,2,0,0,0,0|1,0,0]=3 1092 B9R1.8 CCOc1ccccc1 A15501 [0,2,0,0,0,0|0,0,0]=2 1093 B9R1.8 CCOc1ccccn1 L05649 [0,2,0,0,0,0|1,0,0]=3 1094 B9R1.8 CCOc1cnccn1 B25219 [0,2,0,0,0,0|2,0,0]=4 1095 B9R1.8 CCSc1ccccc1 A13987 [0,2,0,0,0,0|0,1,0]=3 1096 B9R1.8 CNCc1ccccc1 A13746 [0,2,0,0,0,0|1,0,0]=3 1097 B9R1.8 CNCc1cccnc1 H50262 [0,2,0,0,0,0|2,0,0]=4 1098 B9R1.8 COCc1ccccc1 B23490 [0,2,0,0,0,0|0,0,0]=2 1099 B9R1.8 C\N=C\c1ccccc1 B25161 [0,2,0,0,0,0|1,0,0]=3 1100 B9R1.8 c1cc(cnc1)CC#N B24964 [0,2,0,0,0,0|2,0,0]=4 1101 B9R1.8 c1cc(cnc1)CCN L16311 [0,2,0,0,0,0|2,0,0]=4 1102 B9R1.8 c1cc(cnc1)\C=N\O B25679 [0,2,0,0,0,0|1,0,0]=3 1103 B9R1.8 c1cc[n+](cc1)CC#N A14327 [0,2,0,0,0,0|2,0,0]=4 1104 B9R1.8 c1ccc(cc1)CC#N A10694 [0,2,0,0,0,0|1,0,0]=3 1105 B9R1.8 c1ccc(cc1)CC=O A14263 [0,2,0,0,0,0|0,0,1]=3 1106 B9R1.8 c1ccc(cc1)CCBr A12528 [0,2,0,0,0,0|1,0,0]=3 1107 B9R1.8 c1ccc(cc1)CCCl L04891 [0,2,0,0,0,0|1,0,0]=3 1108 B9R1.8 c1ccc(cc1)CCN A13402 [0,2,0,0,0,0|1,0,0]=3 1109 B9R1.8 c1ccc(cc1)CCO A15241 [0,2,0,0,0,0|0,0,0]=2 1110 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [0,2,0,0,0,0|1,0,0]=3 1111 B9R1.8 c1ccc(cc1)CNN H54916 [0,2,0,0,0,0|1,0,0]=3 1112 B9R1.8 c1ccc(cc1)CON A17393 [0,2,0,0,0,0|0,0,0]=2 1113 B9R1.8 c1ccc(cc1)CON L13601 [0,2,0,0,0,0|0,0,0]=2 1114 B9R1.8 c1ccc(cc1)N=C=O A12808 [0,2,0,0,0,0|0,0,1]=3 1115 B9R1.8 c1ccc(cc1)N=C=S A11596 [0,2,0,0,0,0|0,1,0]=3 1116 B9R1.8 c1ccc(cc1)N=S=O H59451 [0,2,0,0,0,0|0,0,1]=3 1117 B9R1.8 c1ccc(cc1)NC=O A12472 [0,2,0,0,0,0|0,0,1]=3 1118 B9R1.8 c1ccc(cc1)OC=O L00289 [0,2,0,0,0,0|0,0,0]=2 1119 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [0,2,0,0,0,0|0,1,0]=3 1120 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [0,2,0,0,0,0|1,0,0]=3 1121 B9R1.8 c1ccc(cc1)\C=N\O A12053 [0,2,0,0,0,0|0,0,0]=2 1122 B9R1.8 c1ccnc(c1)CC#N A13087 [0,2,0,0,0,0|2,0,0]=4 1123 B9R1.8 c1ccnc(c1)CCN L05627 [0,2,0,0,0,0|2,0,0]=4 1124 B9R1.8 c1ccnc(c1)CCO B23579 [0,2,0,0,0,0|1,0,0]=3 1125 B9R1.8 c1ccnc(c1)\C=N\O A16714 [0,2,0,0,0,0|1,0,0]=3 1126 B9R1.8 c1ccnc(c1)\C=N\O B23890 [0,2,0,0,0,0|1,0,0]=3 1127 B9R1.8 c1cnccc1CC#N B25095 [0,2,0,0,0,0|2,0,0]=4 1128 B9R1.8 c1cnccc1CC#N H64588 [0,2,0,0,0,0|2,0,0]=4 1129 B9R1.8 c1cnccc1CCN H27545 [0,2,0,0,0,0|2,0,0]=4 1130 B9R1.8 c1cnccc1CCO L13780 [0,2,0,0,0,0|1,0,0]=3 1131 B9R1.8 c1cnccc1\C=N\O A17371 [0,2,0,0,0,0|1,0,0]=3 1132 B9R1.15 C#Cc1ccccc1Cl H53441 [0,2,0,0,0,0|1,0,0]=3 1133 B9R1.15 C#Cc1ccccc1F H60596 [0,2,0,0,0,0|1,0,0]=3 1134 B9R1.15 C=Cc1ccccc1Br B24181 [0,2,0,0,0,0|1,0,0]=3 1135 B9R1.15 C=Cc1ccccc1Cl B21551 [0,2,0,0,0,0|1,0,0]=3 1136 B9R1.15 C=Cc1ccccc1F A17425 [0,2,0,0,0,0|1,0,0]=3 1137 B9R1.15 CCc1ccccc1Br B23449 [0,2,0,0,0,0|1,0,0]=3 1138 B9R1.15 CCc1ccccc1C L02028 [0,2,0,0,0,0|1,0,0]=3 1139 B9R1.15 CCc1ccccc1I A14509 [0,2,0,0,0,0|1,0,0]=3 1140 B9R1.15 CCc1ccccc1N A14984 [0,2,0,0,0,0|1,0,0]=3 1141 B9R1.15 CCc1ccccc1O L01637 [0,2,0,0,0,0|0,0,0]=2 1142 B9R1.15 CCc1ccccc1S L11498 [0,2,0,0,0,0|0,1,0]=3 1143 B9R1.15 CCc1ccccc1[Zn+] H58221 [0,2,0,0,0,0|1,0,0]=3 1144 B9R1.15 CCc1cnccc1C B21406 [0,2,0,0,0,0|2,0,0]=4 1145 B9R1.15 CNc1ccccc1Br H55166 [0,2,0,0,0,0|1,0,0]=3 1146 B9R1.15 CNc1ccccc1Cl A14343 [0,2,0,0,0,0|1,0,0]=3 1147 B9R1.15 COc1c(cccn1)Br H27279 [0,2,0,0,0,0|1,0,0]=3 1148 B9R1.15 COc1c(cccn1)Cl H27526 [0,2,0,0,0,0|1,0,0]=3 1149 B9R1.15 COc1c(cccn1)F H31901 [0,2,0,0,0,0|1,0,0]=3 1150 B9R1.15 COc1c(cccn1)I H50059 [0,2,0,0,0,0|1,0,0]=3 1151 B9R1.15 COc1ccc[nH]c1=O L07080 [0,2,0,0,0,0|1,0,0]=3 1152 B9R1.15 COc1ccccc1Br A11692 [0,2,0,0,0,0|0,0,0]=2 1153 B9R1.15 COc1ccccc1Cl L06952 [0,2,0,0,0,0|0,0,0]=2 1154 B9R1.15 COc1ccccc1F A12380 [0,2,0,0,0,0|0,0,0]=2 1155 B9R1.15 COc1ccccc1I A10150 [0,2,0,0,0,0|0,0,0]=2 1156 B9R1.15 COc1ccccc1N A10288 [0,2,0,0,0,0|0,0,0]=2 1157 B9R1.15 COc1ccccc1O A16319 [0,2,0,0,0,0|0,0,0]=2 1158 B9R1.15 COc1ccccc1S L09689 [0,2,0,0,0,0|0,0,0]=2 1159 B9R1.15 COc1ccccc1[Mg+] H54579 [0,2,0,0,0,0|0,0,0]=2 1160 B9R1.15 COc1ccccc1[Zn+] H58341 [0,2,0,0,0,0|0,0,0]=2 1161 B9R1.15 COc1cccnc1Cl L17696 [0,2,0,0,0,0|1,0,0]=3 1162 B9R1.15 COc1cccnc1I L19868 [0,2,0,0,0,0|1,0,0]=3 1163 B9R1.15 COc1ccncc1Br H64296 [0,2,0,0,0,0|1,0,0]=3 1164 B9R1.15 COc1ccncc1Cl H64298 [0,2,0,0,0,0|1,0,0]=3 1165 B9R1.15 COc1ccncc1F H64603 [0,2,0,0,0,0|1,0,0]=3 1166 B9R1.15 CSc1ccccc1Br A13632 [0,2,0,0,0,0|0,1,0]=3 1167 B9R1.15 CSc1ccccc1I A14051 [0,2,0,0,0,0|0,1,0]=3 1168 B9R1.15 CSc1ccccc1N A12762 [0,2,0,0,0,0|0,1,0]=3 1169 B9R1.15 CSc1ccccc1O L10128 [0,2,0,0,0,0|0,0,0]=2 1170 B9R1.15 Cc1c(nccn1)OC L08067 [0,2,0,0,0,0|2,0,0]=4 1171 B9R1.15 Cc1ccccc1C#N B22231 [0,2,0,0,0,0|1,0,0]=3 1172 B9R1.15 Cc1ccccc1C=C A12676 [0,2,0,0,0,0|1,0,0]=3 1173 B9R1.15 Cc1ccccc1C=O A10172 [0,2,0,0,0,0|0,0,1]=3 1174 B9R1.15 Cc1ccccc1CBr B21717 [0,2,0,0,0,0|1,0,0]=3 1175 B9R1.15 Cc1ccccc1CCl A13448 [0,2,0,0,0,0|1,0,0]=3 1176 B9R1.15 Cc1ccccc1CN L05243 [0,2,0,0,0,0|1,0,0]=3 1177 B9R1.15 Cc1ccccc1CO A12696 [0,2,0,0,0,0|0,0,0]=2 1178 B9R1.15 Cc1ccccc1CS A15816 [0,2,0,0,0,0|0,1,0]=3 1179 B9R1.15 Cc1ccccc1C[Mg+] H54170 [0,2,0,0,0,0|1,0,0]=3 1180 B9R1.15 Cc1ccccc1NN A15767 [0,2,0,0,0,0|1,0,0]=3 1181 B9R1.15 Cc1ccccc1OC A13897 [0,2,0,0,0,0|0,0,0]=2 1182 B9R1.15 Cc1cccnc1C#N L19456 [0,2,0,0,0,0|2,0,0]=4 1183 B9R1.15 Cc1cccnc1C=O H56168 [0,2,0,0,0,0|1,0,1]=4 1184 B9R1.15 Cc1ccncc1C#N L19769 [0,2,0,0,0,0|2,0,0]=4 1185 B9R1.15 c1cc(c(=O)[nH]c1)C#N H64254 [0,2,0,0,0,0|1,0,1]=4 1186 B9R1.15 c1cc(c(nc1)Br)C#N H66881 [0,2,0,0,0,0|2,0,0]=4 1187 B9R1.15 c1cc(c(nc1)Br)CBr H52311 [0,2,0,0,0,0|2,0,0]=4 1188 B9R1.15 c1cc(c(nc1)Br)CCl H52313 [0,2,0,0,0,0|2,0,0]=4 1189 B9R1.15 c1cc(c(nc1)Br)CO H52318 [0,2,0,0,0,0|1,0,0]=3 1190 B9R1.15 c1cc(c(nc1)C#N)Br H27632 [0,2,0,0,0,0|2,0,0]=4 1191 B9R1.15 c1cc(c(nc1)C#N)Cl H26932 [0,2,0,0,0,0|2,0,0]=4 1192 B9R1.15 c1cc(c(nc1)C#N)F H25767 [0,2,0,0,0,0|2,0,0]=4 1193 B9R1.15 c1cc(c(nc1)C#N)I H26963 [0,2,0,0,0,0|2,0,0]=4 1194 B9R1.15 c1cc(c(nc1)C=O)F H61902 [0,2,0,0,0,0|1,0,1]=4 1195 B9R1.15 c1cc(c(nc1)CBr)O L19525 [0,2,0,0,0,0|1,0,0]=3 1196 B9R1.15 c1cc(c(nc1)Cl)C#N A14818 [0,2,0,0,0,0|2,0,0]=4 1197 B9R1.15 c1cc(c(nc1)Cl)C=O H53399 [0,2,0,0,0,0|1,0,1]=4 1198 B9R1.15 c1cc(c(nc1)Cl)CO H63341 [0,2,0,0,0,0|1,0,0]=3 1199 B9R1.15 c1cc(c(nc1)F)C#N L19538 [0,2,0,0,0,0|2,0,0]=4 1200 B9R1.15 c1cc(c(nc1)N)C#N L19618 [0,2,0,0,0,0|2,0,0]=4 1201 B9R1.15 c1cc(c(nc1)N)C=O L19620 [0,2,0,0,0,0|1,0,1]=4 1202 B9R1.15 c1cc(c(nc1)N)CO H50010 [0,2,0,0,0,0|1,0,0]=3 1203 B9R1.15 c1ccc(c(c1)C#N)Br A10679 [0,2,0,0,0,0|1,0,0]=3 1204 B9R1.15 c1ccc(c(c1)C#N)Cl B20451 [0,2,0,0,0,0|1,0,0]=3 1205 B9R1.15 c1ccc(c(c1)C#N)F A14375 [0,2,0,0,0,0|1,0,0]=3 1206 B9R1.15 c1ccc(c(c1)C#N)N A12286 [0,2,0,0,0,0|1,0,0]=3 1207 B9R1.15 c1ccc(c(c1)C#N)O A13606 [0,2,0,0,0,0|0,0,0]=2 1208 B9R1.15 c1ccc(c(c1)C#N)[Zn+] H58272 [0,2,0,0,0,0|1,0,0]=3 1209 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [0,2,0,0,0,0|0,0,1]=3 1210 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [0,2,0,0,0,0|0,0,1]=3 1211 B9R1.15 c1ccc(c(c1)C=O)F A13800 [0,2,0,0,0,0|0,0,1]=3 1212 B9R1.15 c1ccc(c(c1)C=O)I L17446 [0,2,0,0,0,0|0,0,1]=3 1213 B9R1.15 c1ccc(c(c1)C=O)O A13833 [0,2,0,0,0,0|0,0,0]=2 1214 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [0,2,0,0,0,0|1,0,0]=3 1215 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [0,2,0,0,0,0|1,0,0]=3 1216 B9R1.15 c1ccc(c(c1)CBr)F A12692 [0,2,0,0,0,0|1,0,0]=3 1217 B9R1.15 c1ccc(c(c1)CBr)I B21715 [0,2,0,0,0,0|1,0,0]=3 1218 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [0,2,0,0,0,0|1,0,0]=3 1219 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [0,2,0,0,0,0|1,0,0]=3 1220 B9R1.15 c1ccc(c(c1)CCl)F A11566 [0,2,0,0,0,0|1,0,0]=3 1221 B9R1.15 c1ccc(c(c1)CN)Br A12412 [0,2,0,0,0,0|1,0,0]=3 1222 B9R1.15 c1ccc(c(c1)CN)Br A18151 [0,2,0,0,0,0|1,0,0]=3 1223 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [0,2,0,0,0,0|1,0,0]=3 1224 B9R1.15 c1ccc(c(c1)CN)F A15623 [0,2,0,0,0,0|1,0,0]=3 1225 B9R1.15 c1ccc(c(c1)CO)Br A15700 [0,2,0,0,0,0|0,0,0]=2 1226 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [0,2,0,0,0,0|0,0,0]=2 1227 B9R1.15 c1ccc(c(c1)CO)F A14791 [0,2,0,0,0,0|0,0,0]=2 1228 B9R1.15 c1ccc(c(c1)CO)I L15126 [0,2,0,0,0,0|0,0,0]=2 1229 B9R1.15 c1ccc(c(c1)CO)N A13180 [0,2,0,0,0,0|0,0,0]=2 1230 B9R1.15 c1ccc(c(c1)CO)O A14410 [0,2,0,0,0,0|0,0,0]=2 1231 B9R1.15 c1ccc(c(c1)CO)S L11536 [0,2,0,0,0,0|0,0,0]=2 1232 B9R1.15 c1ccc(c(c1)CS)Br H26247 [0,2,0,0,0,0|0,1,0]=3 1233 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [0,2,0,0,0,0|0,1,0]=3 1234 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [0,2,0,0,0,0|1,0,0]=3 1235 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [0,2,0,0,0,0|1,0,0]=3 1236 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [0,2,0,0,0,0|1,0,0]=3 1237 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [0,2,0,0,0,0|1,0,0]=3 1238 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [0,2,0,0,0,0|1,0,0]=3 1239 B9R1.15 c1ccc(c(c1)NN)Br B23966 [0,2,0,0,0,0|1,0,0]=3 1240 B9R1.15 c1ccc(c(c1)NN)Cl A14136 [0,2,0,0,0,0|1,0,0]=3 1241 B9R1.15 c1ccc(c(c1)NN)F A13716 [0,2,0,0,0,0|1,0,0]=3 1242 B9R1.15 c1cncc(c1Br)C#N H27183 [0,2,0,0,0,0|2,0,0]=4 1243 B9R1.15 c1cncc(c1C#N)Br H27049 [0,2,0,0,0,0|2,0,0]=4 1244 B9R1.15 c1cncc(c1C#N)Cl H27187 [0,2,0,0,0,0|2,0,0]=4 1245 B9R1.15 c1cncc(c1C#N)F H61594 [0,2,0,0,0,0|2,0,0]=4 1246 B9R1.15 c1cncc(c1C#N)I H27247 [0,2,0,0,0,0|2,0,0]=4 1247 B9R1.15 c1cncc(c1C#N)N H32550 [0,2,0,0,0,0|2,0,0]=4 1248 B9R1.15 c1cncc(c1C=O)Cl H55852 [0,2,0,0,0,0|1,0,1]=4 1249 B9R1.15 c1cncc(c1C=O)N H50024 [0,2,0,0,0,0|1,0,1]=4 1250 B9R1.15 c1cncc(c1Cl)CO H66522 [0,2,0,0,0,0|1,0,0]=3 1251 B9R1.15 c1cncc(c1I)C#N H27603 [0,2,0,0,0,0|2,0,0]=4 1252 B9R1.15 c1cncc(c1N)C=O H50028 [0,2,0,0,0,0|1,0,1]=4 1253 B9R1.15 c1cncc(c1N)CO H50033 [0,2,0,0,0,0|1,0,0]=3 1254 B9R1.69 C1=CC(=O)C(=CC1=O)Cl B21395 [0,2,0,0,0,0|0,0,1]=3 1255 B9R1.69 CC1=CC(=O)C=CC1=O 36670 [0,2,0,0,0,0|0,0,1]=3 1256 B9R1.69 Cc1c(cc(cn1)Br)N H54665 [0,2,0,0,0,0|2,0,0]=4 1257 B9R1.69 Cc1c(ccc(n1)Br)Br H27399 [0,2,0,0,0,0|2,0,0]=4 1258 B9R1.69 Cc1c(ccc(n1)Br)N H64756 [0,2,0,0,0,0|2,0,0]=4 1259 B9R1.69 Cc1c(ccc(n1)Cl)Br H64333 [0,2,0,0,0,0|2,0,0]=4 1260 B9R1.69 Cc1c(ccc(n1)Cl)F H64347 [0,2,0,0,0,0|2,0,0]=4 1261 B9R1.69 Cc1c(ccc(n1)Cl)I H27656 [0,2,0,0,0,0|2,0,0]=4 1262 B9R1.69 Cc1c(ccc(n1)Cl)N H61465 [0,2,0,0,0,0|2,0,0]=4 1263 B9R1.69 Cc1c(ccc(n1)N)Br A12948 [0,2,0,0,0,0|2,0,0]=4 1264 B9R1.69 Cc1c(ccc(n1)N)Cl H58501 [0,2,0,0,0,0|2,0,0]=4 1265 B9R1.69 Cc1c(ccc(n1)N)F H64700 [0,2,0,0,0,0|2,0,0]=4 1266 B9R1.69 Cc1c(ccc(n1)N)I H27265 [0,2,0,0,0,0|2,0,0]=4 1267 B9R1.69 Cc1c(ccc(n1)O)Br H59227 [0,2,0,0,0,0|1,0,0]=3 1268 B9R1.69 Cc1c(ccc(n1)O)I H27381 [0,2,0,0,0,0|1,0,0]=3 1269 B9R1.69 Cc1cc(c(nc1)Br)Br H56438 [0,2,0,0,0,0|2,0,0]=4 1270 B9R1.69 Cc1cc(c(nc1)Br)F H61954 [0,2,0,0,0,0|2,0,0]=4 1271 B9R1.69 Cc1cc(c(nc1)Br)I H27362 [0,2,0,0,0,0|2,0,0]=4 1272 B9R1.69 Cc1cc(c(nc1)Br)N H31613 [0,2,0,0,0,0|2,0,0]=4 1273 B9R1.69 Cc1cc(c(nc1)C)C B23537 [0,2,0,0,0,0|2,0,0]=4 1274 B9R1.69 Cc1cc(c(nc1)Cl)F H61972 [0,2,0,0,0,0|2,0,0]=4 1275 B9R1.69 Cc1cc(c(nc1)F)Br H61104 [0,2,0,0,0,0|2,0,0]=4 1276 B9R1.69 Cc1cc(c(nc1)N)Br A14090 [0,2,0,0,0,0|2,0,0]=4 1277 B9R1.69 Cc1cc(c(nc1)N)F H64583 [0,2,0,0,0,0|2,0,0]=4 1278 B9R1.69 Cc1cc(c(nc1)N)I H27787 [0,2,0,0,0,0|2,0,0]=4 1279 B9R1.69 Cc1cc(c(nc1)O)Br L19849 [0,2,0,0,0,0|1,0,0]=3 1280 B9R1.69 Cc1cc(c(nc1)O)I H27751 [0,2,0,0,0,0|1,0,0]=3 1281 B9R1.69 Cc1cc(ccc1Br)Br A19418 [0,2,0,0,0,0|1,0,0]=3 1282 B9R1.69 Cc1cc(ccc1Br)Cl A14132 [0,2,0,0,0,0|1,0,0]=3 1283 B9R1.69 Cc1cc(ccc1Br)F A11112 [0,2,0,0,0,0|1,0,0]=3 1284 B9R1.69 Cc1cc(ccc1Br)I B22462 [0,2,0,0,0,0|1,0,0]=3 1285 B9R1.69 Cc1cc(ccc1Br)N A15417 [0,2,0,0,0,0|1,0,0]=3 1286 B9R1.69 Cc1cc(ccc1Br)O L17510 [0,2,0,0,0,0|0,0,0]=2 1287 B9R1.69 Cc1cc(ccc1Cl)Br A10602 [0,2,0,0,0,0|1,0,0]=3 1288 B9R1.69 Cc1cc(ccc1Cl)Cl A13039 [0,2,0,0,0,0|1,0,0]=3 1289 B9R1.69 Cc1cc(ccc1Cl)F A19686 [0,2,0,0,0,0|1,0,0]=3 1290 B9R1.69 Cc1cc(ccc1Cl)N B22234 [0,2,0,0,0,0|1,0,0]=3 1291 B9R1.69 Cc1cc(ccc1Cl)O A17823 [0,2,0,0,0,0|0,0,0]=2 1292 B9R1.69 Cc1cc(ccc1Cl)[Mg+] H54052 [0,2,0,0,0,0|1,0,0]=3 1293 B9R1.69 Cc1cc(ccc1F)Br A10721 [0,2,0,0,0,0|1,0,0]=3 1294 B9R1.69 Cc1cc(ccc1F)Cl L07615 [0,2,0,0,0,0|1,0,0]=3 1295 B9R1.69 Cc1cc(ccc1F)F B22544 [0,2,0,0,0,0|1,0,0]=3 1296 B9R1.69 Cc1cc(ccc1F)I L08396 [0,2,0,0,0,0|1,0,0]=3 1297 B9R1.69 Cc1cc(ccc1F)N A15482 [0,2,0,0,0,0|1,0,0]=3 1298 B9R1.69 Cc1cc(ccc1F)O L19897 [0,2,0,0,0,0|0,0,0]=2 1299 B9R1.69 Cc1cc(ccc1F)[Mg+] H54585 [0,2,0,0,0,0|1,0,0]=3 1300 B9R1.69 Cc1cc(ccc1I)Br B21878 [0,2,0,0,0,0|1,0,0]=3 1301 B9R1.69 Cc1cc(ccc1I)Cl B21681 [0,2,0,0,0,0|1,0,0]=3 1302 B9R1.69 Cc1cc(ccc1N)Br A15543 [0,2,0,0,0,0|1,0,0]=3 1303 B9R1.69 Cc1cc(ccc1N)Br B25511 [0,2,0,0,0,0|1,0,0]=3 1304 B9R1.69 Cc1cc(ccc1N)F A11609 [0,2,0,0,0,0|1,0,0]=3 1305 B9R1.69 Cc1cc(ccc1N)I L02306 [0,2,0,0,0,0|1,0,0]=3 1306 B9R1.69 Cc1cc(ccc1N)N L07388 [0,2,0,0,0,0|1,0,0]=3 1307 B9R1.69 Cc1cc(ccc1N)O B23152 [0,2,0,0,0,0|0,0,0]=2 1308 B9R1.69 Cc1cc(ccc1O)Br H32307 [0,2,0,0,0,0|0,0,0]=2 1309 B9R1.69 Cc1cc(ccc1O)Cl L04164 [0,2,0,0,0,0|0,0,0]=2 1310 B9R1.69 Cc1cc(ccc1O)F A16032 [0,2,0,0,0,0|0,0,0]=2 1311 B9R1.69 Cc1cc(ccc1O)O B21241 [0,2,0,0,0,0|0,0,0]=2 1312 B9R1.69 Cc1cc(ccc1[Mg+])Cl H54697 [0,2,0,0,0,0|1,0,0]=3 1313 B9R1.69 Cc1cc(ccc1[Mg+])F H54865 [0,2,0,0,0,0|1,0,0]=3 1314 B9R1.69 Cc1cc(ccc1[Zn+])Br H58562 [0,2,0,0,0,0|1,0,0]=3 1315 B9R1.69 Cc1cc(cnc1Br)Br H27142 [0,2,0,0,0,0|2,0,0]=4 1316 B9R1.69 Cc1cc(cnc1Br)F H33953 [0,2,0,0,0,0|2,0,0]=4 1317 B9R1.69 Cc1cc(cnc1Br)I H27035 [0,2,0,0,0,0|2,0,0]=4 1318 B9R1.69 Cc1cc(cnc1Br)N H66134 [0,2,0,0,0,0|2,0,0]=4 1319 B9R1.69 Cc1cc(cnc1Br)O H64567 [0,2,0,0,0,0|1,0,0]=3 1320 B9R1.69 Cc1cc(cnc1Cl)Br H64109 [0,2,0,0,0,0|2,0,0]=4 1321 B9R1.69 Cc1cc(cnc1Cl)F H61447 [0,2,0,0,0,0|2,0,0]=4 1322 B9R1.69 Cc1cc(cnc1Cl)O H64986 [0,2,0,0,0,0|1,0,0]=3 1323 B9R1.69 Cc1cc(cnc1F)Br H26131 [0,2,0,0,0,0|2,0,0]=4 1324 B9R1.69 Cc1cc(cnc1F)N H64854 [0,2,0,0,0,0|2,0,0]=4 1325 B9R1.69 Cc1cc(cnc1N)Br A15318 [0,2,0,0,0,0|2,0,0]=4 1326 B9R1.69 Cc1cc(cnc1N)I H27510 [0,2,0,0,0,0|2,0,0]=4 1327 B9R1.69 Cc1cc(cnc1O)Br H64253 [0,2,0,0,0,0|1,0,0]=3 1328 B9R1.69 Cc1cc(ncc1Br)Br H30457 [0,2,0,0,0,0|2,0,0]=4 1329 B9R1.69 Cc1cc(ncc1Br)F H61431 [0,2,0,0,0,0|2,0,0]=4 1330 B9R1.69 Cc1cc(ncc1Br)N 44623 [0,2,0,0,0,0|2,0,0]=4 1331 B9R1.69 Cc1cc(ncc1Br)O H64674 [0,2,0,0,0,0|1,0,0]=3 1332 B9R1.69 Cc1cc(ncc1F)N H64815 [0,2,0,0,0,0|2,0,0]=4 1333 B9R1.69 Cc1cc(ncc1I)Br H27584 [0,2,0,0,0,0|2,0,0]=4 1334 B9R1.69 Cc1cc(ncc1I)N H27089 [0,2,0,0,0,0|2,0,0]=4 1335 B9R1.69 Cc1cc(ncc1N)Br H66957 [0,2,0,0,0,0|2,0,0]=4 1336 B9R1.69 Cc1cc(ncc1N)Cl H61115 [0,2,0,0,0,0|2,0,0]=4 1337 B9R1.69 Cc1cc(ncc1N)F H61617 [0,2,0,0,0,0|2,0,0]=4 1338 B9R1.69 Cc1ccc(c(c1)Br)Br A13351 [0,2,0,0,0,0|1,0,0]=3 1339 B9R1.69 Cc1ccc(c(c1)Br)C A14358 [0,2,0,0,0,0|1,0,0]=3 1340 B9R1.69 Cc1ccc(c(c1)Br)F B21523 [0,2,0,0,0,0|1,0,0]=3 1341 B9R1.69 Cc1ccc(c(c1)Br)N A13818 [0,2,0,0,0,0|1,0,0]=3 1342 B9R1.69 Cc1ccc(c(c1)Br)O B21701 [0,2,0,0,0,0|0,0,0]=2 1343 B9R1.69 Cc1ccc(c(c1)C)Br A10212 [0,2,0,0,0,0|1,0,0]=3 1344 B9R1.69 Cc1ccc(c(c1)C)C 12411 [0,2,0,0,0,0|1,0,0]=3 1345 B9R1.69 Cc1ccc(c(c1)C)Cl B21275 [0,2,0,0,0,0|1,0,0]=3 1346 B9R1.69 Cc1ccc(c(c1)C)I A16878 [0,2,0,0,0,0|1,0,0]=3 1347 B9R1.69 Cc1ccc(c(c1)C)N L02744 [0,2,0,0,0,0|1,0,0]=3 1348 B9R1.69 Cc1ccc(c(c1)C)O A11966 [0,2,0,0,0,0|0,0,0]=2 1349 B9R1.69 Cc1ccc(c(c1)C)S B23161 [0,2,0,0,0,0|0,1,0]=3 1350 B9R1.69 Cc1ccc(c(c1)C)[Mg+] H54134 [0,2,0,0,0,0|1,0,0]=3 1351 B9R1.69 Cc1ccc(c(c1)C)[Zn+] H58149 [0,2,0,0,0,0|1,0,0]=3 1352 B9R1.69 Cc1ccc(c(c1)Cl)Cl A10763 [0,2,0,0,0,0|1,0,0]=3 1353 B9R1.69 Cc1ccc(c(c1)Cl)F H63822 [0,2,0,0,0,0|1,0,0]=3 1354 B9R1.69 Cc1ccc(c(c1)Cl)N B22935 [0,2,0,0,0,0|1,0,0]=3 1355 B9R1.69 Cc1ccc(c(c1)F)Br A19142 [0,2,0,0,0,0|1,0,0]=3 1356 B9R1.69 Cc1ccc(c(c1)F)Cl H32272 [0,2,0,0,0,0|1,0,0]=3 1357 B9R1.69 Cc1ccc(c(c1)F)F 41789 [0,2,0,0,0,0|1,0,0]=3 1358 B9R1.69 Cc1ccc(c(c1)F)I H53491 [0,2,0,0,0,0|1,0,0]=3 1359 B9R1.69 Cc1ccc(c(c1)F)N A16591 [0,2,0,0,0,0|1,0,0]=3 1360 B9R1.69 Cc1ccc(c(c1)F)O H26138 [0,2,0,0,0,0|0,0,0]=2 1361 B9R1.69 Cc1ccc(c(c1)I)C L01055 [0,2,0,0,0,0|1,0,0]=3 1362 B9R1.69 Cc1ccc(c(c1)N)Br H61639 [0,2,0,0,0,0|1,0,0]=3 1363 B9R1.69 Cc1ccc(c(c1)N)C A12682 [0,2,0,0,0,0|1,0,0]=3 1364 B9R1.69 Cc1ccc(c(c1)N)Cl H26209 [0,2,0,0,0,0|1,0,0]=3 1365 B9R1.69 Cc1ccc(c(c1)N)F L13411 [0,2,0,0,0,0|1,0,0]=3 1366 B9R1.69 Cc1ccc(c(c1)N)N B24378 [0,2,0,0,0,0|1,0,0]=3 1367 B9R1.69 Cc1ccc(c(c1)N)O A19546 [0,2,0,0,0,0|0,0,0]=2 1368 B9R1.69 Cc1ccc(c(c1)O)C A17755 [0,2,0,0,0,0|0,0,0]=2 1369 B9R1.69 Cc1ccc(c(c1)O)Cl L00816 [0,2,0,0,0,0|0,0,0]=2 1370 B9R1.69 Cc1ccc(c(c1)O)F B20275 [0,2,0,0,0,0|0,0,0]=2 1371 B9R1.69 Cc1ccc(c(c1)O)N B23560 [0,2,0,0,0,0|0,0,0]=2 1372 B9R1.69 Cc1ccc(c(c1)O)O L04495 [0,2,0,0,0,0|0,0,0]=2 1373 B9R1.69 Cc1ccc(c(c1)S)C B24164 [0,2,0,0,0,0|0,1,0]=3 1374 B9R1.69 Cc1ccc(c(c1)S)S L15003 [0,2,0,0,0,0|0,1,0]=3 1375 B9R1.69 Cc1ccc(c(c1)[Mg+])C H54073 [0,2,0,0,0,0|1,0,0]=3 1376 B9R1.69 Cc1ccc(c(c1)[Zn+])C H58646 [0,2,0,0,0,0|1,0,0]=3 1377 B9R1.69 Cc1ccc(c(n1)Br)F H64900 [0,2,0,0,0,0|2,0,0]=4 1378 B9R1.69 Cc1ccc(c(n1)Br)N H64301 [0,2,0,0,0,0|2,0,0]=4 1379 B9R1.69 Cc1ccc(c(n1)C)N L19842 [0,2,0,0,0,0|2,0,0]=4 1380 B9R1.69 Cc1ccc(c(n1)Cl)Br H64153 [0,2,0,0,0,0|2,0,0]=4 1381 B9R1.69 Cc1ccc(c(n1)Cl)F H64473 [0,2,0,0,0,0|2,0,0]=4 1382 B9R1.69 Cc1ccc(c(n1)Cl)N H64125 [0,2,0,0,0,0|2,0,0]=4 1383 B9R1.69 Cc1ccc(c(n1)F)F H64514 [0,2,0,0,0,0|2,0,0]=4 1384 B9R1.69 Cc1ccc(c(n1)N)Br H66162 [0,2,0,0,0,0|2,0,0]=4 1385 B9R1.69 Cc1ccc(cc1Br)Br H63869 [0,2,0,0,0,0|1,0,0]=3 1386 B9R1.69 Cc1ccc(cc1Br)Cl B25329 [0,2,0,0,0,0|1,0,0]=3 1387 B9R1.69 Cc1ccc(cc1Br)F A12792 [0,2,0,0,0,0|1,0,0]=3 1388 B9R1.69 Cc1ccc(cc1Br)N B24670 [0,2,0,0,0,0|1,0,0]=3 1389 B9R1.69 Cc1ccc(cc1Br)O H28689 [0,2,0,0,0,0|0,0,0]=2 1390 B9R1.69 Cc1ccc(cc1C)Br A14736 [0,2,0,0,0,0|1,0,0]=3 1391 B9R1.69 Cc1ccc(cc1C)Cl A19032 [0,2,0,0,0,0|1,0,0]=3 1392 B9R1.69 Cc1ccc(cc1C)F A18253 [0,2,0,0,0,0|1,0,0]=3 1393 B9R1.69 Cc1ccc(cc1C)I A13232 [0,2,0,0,0,0|1,0,0]=3 1394 B9R1.69 Cc1ccc(cc1C)N A16928 [0,2,0,0,0,0|1,0,0]=3 1395 B9R1.69 Cc1ccc(cc1C)O A10599 [0,2,0,0,0,0|0,0,0]=2 1396 B9R1.69 Cc1ccc(cc1C)S B23168 [0,2,0,0,0,0|0,1,0]=3 1397 B9R1.69 Cc1ccc(cc1C)[Mg+] H54346 [0,2,0,0,0,0|1,0,0]=3 1398 B9R1.69 Cc1ccc(cc1C)[Zn+] H58165 [0,2,0,0,0,0|1,0,0]=3 1399 B9R1.69 Cc1ccc(cc1Cl)Br B22293 [0,2,0,0,0,0|1,0,0]=3 1400 B9R1.69 Cc1ccc(cc1Cl)Cl B24406 [0,2,0,0,0,0|1,0,0]=3 1401 B9R1.69 Cc1ccc(cc1Cl)F B20278 [0,2,0,0,0,0|1,0,0]=3 1402 B9R1.69 Cc1ccc(cc1Cl)I B20974 [0,2,0,0,0,0|1,0,0]=3 1403 B9R1.69 Cc1ccc(cc1Cl)N A15439 [0,2,0,0,0,0|1,0,0]=3 1404 B9R1.69 Cc1ccc(cc1Cl)N H31342 [0,2,0,0,0,0|1,0,0]=3 1405 B9R1.69 Cc1ccc(cc1Cl)O H27385 [0,2,0,0,0,0|0,0,0]=2 1406 B9R1.69 Cc1ccc(cc1Cl)[Mg+] H54075 [0,2,0,0,0,0|1,0,0]=3 1407 B9R1.69 Cc1ccc(cc1F)Br A15891 [0,2,0,0,0,0|1,0,0]=3 1408 B9R1.69 Cc1ccc(cc1F)Cl A14753 [0,2,0,0,0,0|1,0,0]=3 1409 B9R1.69 Cc1ccc(cc1F)F A11667 [0,2,0,0,0,0|1,0,0]=3 1410 B9R1.69 Cc1ccc(cc1F)I A12679 [0,2,0,0,0,0|1,0,0]=3 1411 B9R1.69 Cc1ccc(cc1F)N A14484 [0,2,0,0,0,0|1,0,0]=3 1412 B9R1.69 Cc1ccc(cc1F)O H31864 [0,2,0,0,0,0|0,0,0]=2 1413 B9R1.69 Cc1ccc(cc1F)[Mg+] H54830 [0,2,0,0,0,0|1,0,0]=3 1414 B9R1.69 Cc1ccc(cc1F)[Zn+] H58775 [0,2,0,0,0,0|1,0,0]=3 1415 B9R1.69 Cc1ccc(cc1I)F L06833 [0,2,0,0,0,0|1,0,0]=3 1416 B9R1.69 Cc1ccc(cc1I)N A11485 [0,2,0,0,0,0|1,0,0]=3 1417 B9R1.69 Cc1ccc(cc1N)Cl B21392 [0,2,0,0,0,0|1,0,0]=3 1418 B9R1.69 Cc1ccc(cc1N)F B25381 [0,2,0,0,0,0|1,0,0]=3 1419 B9R1.69 Cc1ccc(cc1N)I L07404 [0,2,0,0,0,0|1,0,0]=3 1420 B9R1.69 Cc1ccc(cc1N)N B23495 [0,2,0,0,0,0|1,0,0]=3 1421 B9R1.69 Cc1ccc(cc1O)Br H26956 [0,2,0,0,0,0|0,0,0]=2 1422 B9R1.69 Cc1ccc(cc1O)Cl B25527 [0,2,0,0,0,0|0,0,0]=2 1423 B9R1.69 Cc1ccc(cc1O)F B25606 [0,2,0,0,0,0|0,0,0]=2 1424 B9R1.69 Cc1ccc(cc1O)N H66252 [0,2,0,0,0,0|0,0,0]=2 1425 B9R1.69 Cc1ccc(cc1[Mg+])Cl H54415 [0,2,0,0,0,0|1,0,0]=3 1426 B9R1.69 Cc1ccc(cc1[Mg+])F H54234 [0,2,0,0,0,0|1,0,0]=3 1427 B9R1.69 Cc1ccc(cc1[Zn+])F H58892 [0,2,0,0,0,0|1,0,0]=3 1428 B9R1.69 Cc1ccc(nc1Cl)Cl H61271 [0,2,0,0,0,0|2,0,0]=4 1429 B9R1.69 Cc1cnc(cc1Cl)Cl H61634 [0,2,0,0,0,0|2,0,0]=4 1430 B9R1.69 Cc1cnc(cc1I)F H64983 [0,2,0,0,0,0|2,0,0]=4 1431 B9R1.69 c1c(c(cnc1Cl)Br)N H27674 [0,2,0,0,0,0|2,0,0]=4 1432 B9R1.69 c1c(c(cnc1Cl)I)N H33926 [0,2,0,0,0,0|2,0,0]=4 1433 B9R1.69 c1c(c(cnc1Cl)N)Cl H66282 [0,2,0,0,0,0|2,0,0]=4 1434 B9R1.69 c1c(c(nc(n1)O)N)Br H61952 [0,2,0,0,0,0|2,0,0]=4 1435 B9R1.69 c1c(c(nc(n1)O)O)O B23320 [0,2,0,0,0,0|2,0,0]=4 1436 B9R1.69 c1c(c[nH]c(=O)c1Cl)Cl L08309 [0,2,0,0,0,0|1,0,1]=4 1437 B9R1.69 c1c(cnc(c1Br)Br)Cl H34010 [0,2,0,0,0,0|2,0,0]=4 1438 B9R1.69 c1c(cnc(c1Br)Cl)Br H61506 [0,2,0,0,0,0|2,0,0]=4 1439 B9R1.69 c1c(cnc(c1Br)Cl)Cl H27130 [0,2,0,0,0,0|2,0,0]=4 1440 B9R1.69 c1c(cnc(c1Br)N)Br A12706 [0,2,0,0,0,0|2,0,0]=4 1441 B9R1.69 c1c(cnc(c1Br)N)Cl H27799 [0,2,0,0,0,0|2,0,0]=4 1442 B9R1.69 c1c(cnc(c1Br)N)F H37257 [0,2,0,0,0,0|2,0,0]=4 1443 B9R1.69 c1c(cnc(c1Br)O)Br L19862 [0,2,0,0,0,0|1,0,0]=3 1444 B9R1.69 c1c(cnc(c1Cl)Br)Cl H61138 [0,2,0,0,0,0|2,0,0]=4 1445 B9R1.69 c1c(cnc(c1Cl)Cl)Cl H64173 [0,2,0,0,0,0|2,0,0]=4 1446 B9R1.69 c1c(cnc(c1Cl)Cl)F H64373 [0,2,0,0,0,0|2,0,0]=4 1447 B9R1.69 c1c(cnc(c1Cl)F)Br H64547 [0,2,0,0,0,0|2,0,0]=4 1448 B9R1.69 c1c(cnc(c1Cl)F)Cl L20039 [0,2,0,0,0,0|2,0,0]=4 1449 B9R1.69 c1c(cnc(c1Cl)F)F H32640 [0,2,0,0,0,0|2,0,0]=4 1450 B9R1.69 c1c(cnc(c1Cl)F)O H66400 [0,2,0,0,0,0|1,0,0]=3 1451 B9R1.69 c1c(cnc(c1Cl)N)Cl B21984 [0,2,0,0,0,0|2,0,0]=4 1452 B9R1.69 c1c(cnc(c1Cl)O)Br H64370 [0,2,0,0,0,0|1,0,0]=3 1453 B9R1.69 c1c(cnc(c1F)Br)Br H61108 [0,2,0,0,0,0|2,0,0]=4 1454 B9R1.69 c1c(cnc(c1F)Br)N H33154 [0,2,0,0,0,0|2,0,0]=4 1455 B9R1.69 c1c(cnc(c1F)Cl)Br H61116 [0,2,0,0,0,0|2,0,0]=4 1456 B9R1.69 c1c(cnc(c1F)F)Br H64566 [0,2,0,0,0,0|2,0,0]=4 1457 B9R1.69 c1c(cnc(c1F)F)Cl L19859 [0,2,0,0,0,0|2,0,0]=4 1458 B9R1.69 c1c(cnc(c1F)F)F L19542 [0,2,0,0,0,0|2,0,0]=4 1459 B9R1.69 c1c(cnc(c1F)N)Cl H30135 [0,2,0,0,0,0|2,0,0]=4 1460 B9R1.69 c1c(cnc(c1F)N)F L19727 [0,2,0,0,0,0|2,0,0]=4 1461 B9R1.69 c1c(cnc(c1I)Br)I H27869 [0,2,0,0,0,0|2,0,0]=4 1462 B9R1.69 c1c(cnc(c1I)Cl)Cl H27786 [0,2,0,0,0,0|2,0,0]=4 1463 B9R1.69 c1c(cnc(c1I)Cl)I H27044 [0,2,0,0,0,0|2,0,0]=4 1464 B9R1.69 c1c(cnc(c1I)N)Br H50002 [0,2,0,0,0,0|2,0,0]=4 1465 B9R1.69 c1c(cnc(c1I)N)Cl H27053 [0,2,0,0,0,0|2,0,0]=4 1466 B9R1.69 c1c(cnc(c1I)N)I H27511 [0,2,0,0,0,0|2,0,0]=4 1467 B9R1.69 c1c(cnc(c1I)N)N H31518 [0,2,0,0,0,0|2,0,0]=4 1468 B9R1.69 c1c(cnc(c1I)O)Br H33495 [0,2,0,0,0,0|1,0,0]=3 1469 B9R1.69 c1c(cnc(c1N)Br)F H33811 [0,2,0,0,0,0|2,0,0]=4 1470 B9R1.69 c1c(cnc(c1N)Cl)Br H31614 [0,2,0,0,0,0|2,0,0]=4 1471 B9R1.69 c1c(cnc(c1N)Cl)Cl H58570 [0,2,0,0,0,0|2,0,0]=4 1472 B9R1.69 c1c(cnc(c1N)N)Br L19435 [0,2,0,0,0,0|2,0,0]=4 1473 B9R1.69 c1c(cnc(c1N)N)Cl L19526 [0,2,0,0,0,0|2,0,0]=4 1474 B9R1.69 c1c(cnc(c1N)O)Br H61479 [0,2,0,0,0,0|1,0,0]=3 1475 B9R1.69 c1c(cnc(c1O)N)Br H61722 [0,2,0,0,0,0|1,0,0]=3 1476 B9R1.69 c1c(cnc(c1O)O)Cl L07671 [0,2,0,0,0,0|1,0,0]=3 1477 B9R1.69 c1cc(c(cc1Br)Br)Br B23778 [0,2,0,0,0,0|1,0,0]=3 1478 B9R1.69 c1cc(c(cc1Br)Br)F B20955 [0,2,0,0,0,0|1,0,0]=3 1479 B9R1.69 c1cc(c(cc1Br)Br)F L20171 [0,2,0,0,0,0|1,0,0]=3 1480 B9R1.69 c1cc(c(cc1Br)Br)N A13329 [0,2,0,0,0,0|1,0,0]=3 1481 B9R1.69 c1cc(c(cc1Br)Br)O B23394 [0,2,0,0,0,0|0,0,0]=2 1482 B9R1.69 c1cc(c(cc1Br)Cl)Br B23566 [0,2,0,0,0,0|1,0,0]=3 1483 B9R1.69 c1cc(c(cc1Br)Cl)Cl A10314 [0,2,0,0,0,0|1,0,0]=3 1484 B9R1.69 c1cc(c(cc1Br)Cl)F A19782 [0,2,0,0,0,0|1,0,0]=3 1485 B9R1.69 c1cc(c(cc1Br)Cl)I B22185 [0,2,0,0,0,0|1,0,0]=3 1486 B9R1.69 c1cc(c(cc1Br)Cl)N A17859 [0,2,0,0,0,0|1,0,0]=3 1487 B9R1.69 c1cc(c(cc1Br)Cl)O B24803 [0,2,0,0,0,0|0,0,0]=2 1488 B9R1.69 c1cc(c(cc1Br)F)Br B21281 [0,2,0,0,0,0|1,0,0]=3 1489 B9R1.69 c1cc(c(cc1Br)F)Cl A15745 [0,2,0,0,0,0|1,0,0]=3 1490 B9R1.69 c1cc(c(cc1Br)F)F A11934 [0,2,0,0,0,0|1,0,0]=3 1491 B9R1.69 c1cc(c(cc1Br)F)I A15884 [0,2,0,0,0,0|1,0,0]=3 1492 B9R1.69 c1cc(c(cc1Br)F)N A10228 [0,2,0,0,0,0|1,0,0]=3 1493 B9R1.69 c1cc(c(cc1Br)F)O A10804 [0,2,0,0,0,0|0,0,0]=2 1494 B9R1.69 c1cc(c(cc1Br)F)[Zn+] H58320 [0,2,0,0,0,0|1,0,0]=3 1495 B9R1.69 c1cc(c(cc1Br)N)Br A19114 [0,2,0,0,0,0|1,0,0]=3 1496 B9R1.69 c1cc(c(cc1Br)N)Cl H64104 [0,2,0,0,0,0|1,0,0]=3 1497 B9R1.69 c1cc(c(cc1Br)N)F H61678 [0,2,0,0,0,0|1,0,0]=3 1498 B9R1.69 c1cc(c(cc1Br)N)N H26929 [0,2,0,0,0,0|1,0,0]=3 1499 B9R1.69 c1cc(c(cc1Br)N)O H55763 [0,2,0,0,0,0|0,0,0]=2 1500 B9R1.69 c1cc(c(cc1Br)O)Cl B25452 [0,2,0,0,0,0|0,0,0]=2 1501 B9R1.69 c1cc(c(cc1Br)O)F H61518 [0,2,0,0,0,0|0,0,0]=2 1502 B9R1.69 c1cc(c(cc1Cl)Br)Cl A12056 [0,2,0,0,0,0|1,0,0]=3 1503 B9R1.69 c1cc(c(cc1Cl)Br)F H25935 [0,2,0,0,0,0|1,0,0]=3 1504 B9R1.69 c1cc(c(cc1Cl)Br)I B25409 [0,2,0,0,0,0|1,0,0]=3 1505 B9R1.69 c1cc(c(cc1Cl)Br)N L03808 [0,2,0,0,0,0|1,0,0]=3 1506 B9R1.69 c1cc(c(cc1Cl)Br)O A16218 [0,2,0,0,0,0|0,0,0]=2 1507 B9R1.69 c1cc(c(cc1Cl)Cl)Br A12298 [0,2,0,0,0,0|1,0,0]=3 1508 B9R1.69 c1cc(c(cc1Cl)Cl)Cl 19390 [0,2,0,0,0,0|1,0,0]=3 1509 B9R1.69 c1cc(c(cc1Cl)Cl)Cl A10130 [0,2,0,0,0,0|1,0,0]=3 1510 B9R1.69 c1cc(c(cc1Cl)Cl)F A17953 [0,2,0,0,0,0|1,0,0]=3 1511 B9R1.69 c1cc(c(cc1Cl)Cl)I B20683 [0,2,0,0,0,0|1,0,0]=3 1512 B9R1.69 c1cc(c(cc1Cl)Cl)N A10518 [0,2,0,0,0,0|1,0,0]=3 1513 B9R1.69 c1cc(c(cc1Cl)Cl)O A12065 [0,2,0,0,0,0|0,0,0]=2 1514 B9R1.69 c1cc(c(cc1Cl)Cl)S A12384 [0,2,0,0,0,0|0,1,0]=3 1515 B9R1.69 c1cc(c(cc1Cl)Cl)[Zn+] H58653 [0,2,0,0,0,0|1,0,0]=3 1516 B9R1.69 c1cc(c(cc1Cl)F)Br A19570 [0,2,0,0,0,0|1,0,0]=3 1517 B9R1.69 c1cc(c(cc1Cl)F)Cl B21282 [0,2,0,0,0,0|1,0,0]=3 1518 B9R1.69 c1cc(c(cc1Cl)F)F A12924 [0,2,0,0,0,0|1,0,0]=3 1519 B9R1.69 c1cc(c(cc1Cl)F)I A19376 [0,2,0,0,0,0|1,0,0]=3 1520 B9R1.69 c1cc(c(cc1Cl)F)N A16131 [0,2,0,0,0,0|1,0,0]=3 1521 B9R1.69 c1cc(c(cc1Cl)F)O H61416 [0,2,0,0,0,0|0,0,0]=2 1522 B9R1.69 c1cc(c(cc1Cl)I)Cl A14172 [0,2,0,0,0,0|1,0,0]=3 1523 B9R1.69 c1cc(c(cc1Cl)I)N B25457 [0,2,0,0,0,0|1,0,0]=3 1524 B9R1.69 c1cc(c(cc1Cl)N)Cl A11151 [0,2,0,0,0,0|1,0,0]=3 1525 B9R1.69 c1cc(c(cc1Cl)N)F B20951 [0,2,0,0,0,0|1,0,0]=3 1526 B9R1.69 c1cc(c(cc1Cl)N)I B25709 [0,2,0,0,0,0|1,0,0]=3 1527 B9R1.69 c1cc(c(cc1Cl)N)N A10823 [0,2,0,0,0,0|1,0,0]=3 1528 B9R1.69 c1cc(c(cc1Cl)N)O A10135 [0,2,0,0,0,0|0,0,0]=2 1529 B9R1.69 c1cc(c(cc1Cl)N)S B25640 [0,2,0,0,0,0|0,1,0]=3 1530 B9R1.69 c1cc(c(cc1Cl)O)Cl B24787 [0,2,0,0,0,0|0,0,0]=2 1531 B9R1.69 c1cc(c(cc1Cl)O)N H64978 [0,2,0,0,0,0|0,0,0]=2 1532 B9R1.69 c1cc(c(cc1Cl)S)Cl A11434 [0,2,0,0,0,0|0,1,0]=3 1533 B9R1.69 c1cc(c(cc1Cl)[Zn+])Cl H58587 [0,2,0,0,0,0|1,0,0]=3 1534 B9R1.69 c1cc(c(cc1F)Br)Br B20935 [0,2,0,0,0,0|1,0,0]=3 1535 B9R1.69 c1cc(c(cc1F)Br)Cl B25532 [0,2,0,0,0,0|1,0,0]=3 1536 B9R1.69 c1cc(c(cc1F)Br)F A12963 [0,2,0,0,0,0|1,0,0]=3 1537 B9R1.69 c1cc(c(cc1F)Br)I L20144 [0,2,0,0,0,0|1,0,0]=3 1538 B9R1.69 c1cc(c(cc1F)Br)N A11751 [0,2,0,0,0,0|1,0,0]=3 1539 B9R1.69 c1cc(c(cc1F)Br)O A11263 [0,2,0,0,0,0|0,0,0]=2 1540 B9R1.69 c1cc(c(cc1F)Cl)Br B25538 [0,2,0,0,0,0|1,0,0]=3 1541 B9R1.69 c1cc(c(cc1F)Cl)Cl A11357 [0,2,0,0,0,0|1,0,0]=3 1542 B9R1.69 c1cc(c(cc1F)Cl)F A14178 [0,2,0,0,0,0|1,0,0]=3 1543 B9R1.69 c1cc(c(cc1F)Cl)I A12010 [0,2,0,0,0,0|1,0,0]=3 1544 B9R1.69 c1cc(c(cc1F)Cl)N A15492 [0,2,0,0,0,0|1,0,0]=3 1545 B9R1.69 c1cc(c(cc1F)Cl)O A10864 [0,2,0,0,0,0|0,0,0]=2 1546 B9R1.69 c1cc(c(cc1F)Cl)S A13498 [0,2,0,0,0,0|0,1,0]=3 1547 B9R1.69 c1cc(c(cc1F)F)Br A14098 [0,2,0,0,0,0|1,0,0]=3 1548 B9R1.69 c1cc(c(cc1F)F)Cl A15495 [0,2,0,0,0,0|1,0,0]=3 1549 B9R1.69 c1cc(c(cc1F)F)F A11424 [0,2,0,0,0,0|1,0,0]=3 1550 B9R1.69 c1cc(c(cc1F)F)I A10798 [0,2,0,0,0,0|1,0,0]=3 1551 B9R1.69 c1cc(c(cc1F)F)N A13673 [0,2,0,0,0,0|1,0,0]=3 1552 B9R1.69 c1cc(c(cc1F)F)O A14044 [0,2,0,0,0,0|0,0,0]=2 1553 B9R1.69 c1cc(c(cc1F)F)S B24726 [0,2,0,0,0,0|0,1,0]=3 1554 B9R1.69 c1cc(c(cc1F)F)[Zn+] H58979 [0,2,0,0,0,0|1,0,0]=3 1555 B9R1.69 c1cc(c(cc1F)I)Br B25289 [0,2,0,0,0,0|1,0,0]=3 1556 B9R1.69 c1cc(c(cc1F)I)F H26890 [0,2,0,0,0,0|1,0,0]=3 1557 B9R1.69 c1cc(c(cc1F)I)N B25499 [0,2,0,0,0,0|1,0,0]=3 1558 B9R1.69 c1cc(c(cc1F)N)Br B24901 [0,2,0,0,0,0|1,0,0]=3 1559 B9R1.69 c1cc(c(cc1F)N)Cl B25618 [0,2,0,0,0,0|1,0,0]=3 1560 B9R1.69 c1cc(c(cc1F)N)F A10272 [0,2,0,0,0,0|1,0,0]=3 1561 B9R1.69 c1cc(c(cc1F)N)I L17723 [0,2,0,0,0,0|1,0,0]=3 1562 B9R1.69 c1cc(c(cc1F)N)N A13977 [0,2,0,0,0,0|1,0,0]=3 1563 B9R1.69 c1cc(c(cc1F)N)O H26165 [0,2,0,0,0,0|0,0,0]=2 1564 B9R1.69 c1cc(c(cc1F)O)Br A15064 [0,2,0,0,0,0|0,0,0]=2 1565 B9R1.69 c1cc(c(cc1F)O)Cl H28567 [0,2,0,0,0,0|0,0,0]=2 1566 B9R1.69 c1cc(c(cc1F)O)F A18744 [0,2,0,0,0,0|0,0,0]=2 1567 B9R1.69 c1cc(c(cc1F)O)N H32928 [0,2,0,0,0,0|0,0,0]=2 1568 B9R1.69 c1cc(c(cc1F)[Zn+])F H58202 [0,2,0,0,0,0|1,0,0]=3 1569 B9R1.69 c1cc(c(cc1I)Cl)Cl A13440 [0,2,0,0,0,0|1,0,0]=3 1570 B9R1.69 c1cc(c(cc1I)Cl)F A11808 [0,2,0,0,0,0|1,0,0]=3 1571 B9R1.69 c1cc(c(cc1I)Cl)N A10742 [0,2,0,0,0,0|1,0,0]=3 1572 B9R1.69 c1cc(c(cc1I)F)Br A19190 [0,2,0,0,0,0|1,0,0]=3 1573 B9R1.69 c1cc(c(cc1I)F)F A11339 [0,2,0,0,0,0|1,0,0]=3 1574 B9R1.69 c1cc(c(cc1I)F)N B22450 [0,2,0,0,0,0|1,0,0]=3 1575 B9R1.69 c1cc(c(cc1I)N)N H64469 [0,2,0,0,0,0|1,0,0]=3 1576 B9R1.69 c1cc(c(cc1N)Br)Cl H32115 [0,2,0,0,0,0|1,0,0]=3 1577 B9R1.69 c1cc(c(cc1N)Br)F B25610 [0,2,0,0,0,0|1,0,0]=3 1578 B9R1.69 c1cc(c(cc1N)Cl)Br L03268 [0,2,0,0,0,0|1,0,0]=3 1579 B9R1.69 c1cc(c(cc1N)Cl)Cl A15199 [0,2,0,0,0,0|1,0,0]=3 1580 B9R1.69 c1cc(c(cc1N)Cl)F A11858 [0,2,0,0,0,0|1,0,0]=3 1581 B9R1.69 c1cc(c(cc1N)Cl)I A14256 [0,2,0,0,0,0|1,0,0]=3 1582 B9R1.69 c1cc(c(cc1N)Cl)N B24029 [0,2,0,0,0,0|1,0,0]=3 1583 B9R1.69 c1cc(c(cc1N)Cl)O B23420 [0,2,0,0,0,0|0,0,0]=2 1584 B9R1.69 c1cc(c(cc1N)F)Br B22227 [0,2,0,0,0,0|1,0,0]=3 1585 B9R1.69 c1cc(c(cc1N)F)Cl H26148 [0,2,0,0,0,0|1,0,0]=3 1586 B9R1.69 c1cc(c(cc1N)F)F A13999 [0,2,0,0,0,0|1,0,0]=3 1587 B9R1.69 c1cc(c(cc1N)F)I H61427 [0,2,0,0,0,0|1,0,0]=3 1588 B9R1.69 c1cc(c(cc1N)F)O H25936 [0,2,0,0,0,0|0,0,0]=2 1589 B9R1.69 c1cc(c(cc1N)N)Cl A15430 [0,2,0,0,0,0|1,0,0]=3 1590 B9R1.69 c1cc(c(cc1N)N)F H61476 [0,2,0,0,0,0|1,0,0]=3 1591 B9R1.69 c1cc(c(cc1N)N)N A17758 [0,2,0,0,0,0|1,0,0]=3 1592 B9R1.69 c1cc(c(cc1N)N)O A17697 [0,2,0,0,0,0|0,0,0]=2 1593 B9R1.69 c1cc(c(cc1N)O)Cl H66371 [0,2,0,0,0,0|0,0,0]=2 1594 B9R1.69 c1cc(c(cc1N)O)F H33821 [0,2,0,0,0,0|0,0,0]=2 1595 B9R1.69 c1cc(c(cc1O)Br)F H61702 [0,2,0,0,0,0|0,0,0]=2 1596 B9R1.69 c1cc(c(cc1O)Cl)Br L13801 [0,2,0,0,0,0|0,0,0]=2 1597 B9R1.69 c1cc(c(cc1O)Cl)Cl A12256 [0,2,0,0,0,0|0,0,0]=2 1598 B9R1.69 c1cc(c(cc1O)Cl)F A14382 [0,2,0,0,0,0|0,0,0]=2 1599 B9R1.69 c1cc(c(cc1O)Cl)N A19720 [0,2,0,0,0,0|0,0,0]=2 1600 B9R1.69 c1cc(c(cc1O)Cl)N H66310 [0,2,0,0,0,0|0,0,0]=2 1601 B9R1.69 c1cc(c(cc1O)Cl)O A19554 [0,2,0,0,0,0|0,0,0]=2 1602 B9R1.69 c1cc(c(cc1O)F)Br H32488 [0,2,0,0,0,0|0,0,0]=2 1603 B9R1.69 c1cc(c(cc1O)F)Cl A16029 [0,2,0,0,0,0|0,0,0]=2 1604 B9R1.69 c1cc(c(cc1O)F)F A12596 [0,2,0,0,0,0|0,0,0]=2 1605 B9R1.69 c1cc(c(cc1O)F)N H26084 [0,2,0,0,0,0|0,0,0]=2 1606 B9R1.69 c1cc(c(cc1O)I)Cl B25547 [0,2,0,0,0,0|0,0,0]=2 1607 B9R1.69 c1cc(c(cc1O)N)Cl H55826 [0,2,0,0,0,0|0,0,0]=2 1608 B9R1.69 c1cc(c(cc1O)N)F H61829 [0,2,0,0,0,0|0,0,0]=2 1609 B9R1.69 c1cc(c(cc1O)O)Br H66087 [0,2,0,0,0,0|0,0,0]=2 1610 B9R1.69 c1cc(c(cc1O)O)Cl B24076 [0,2,0,0,0,0|0,0,0]=2 1611 B9R1.69 c1cc(c(cc1O)O)F H60426 [0,2,0,0,0,0|0,0,0]=2 1612 B9R1.69 c1cc(c(cc1O)O)O A13069 [0,2,0,0,0,0|0,0,0]=2 1613 B9R1.69 c1cc(c(cc1S)Cl)Cl L12031 [0,2,0,0,0,0|0,1,0]=3 1614 B9R1.69 c1cc(c(cc1S)Cl)F A10856 [0,2,0,0,0,0|0,1,0]=3 1615 B9R1.69 c1cc(c(cc1S)F)F H60299 [0,2,0,0,0,0|0,1,0]=3 1616 B9R1.69 c1cc(c(cc1[Mg+])Cl)Cl H54621 [0,2,0,0,0,0|1,0,0]=3 1617 B9R1.69 c1cc(c(cc1[Mg+])Cl)F H54700 [0,2,0,0,0,0|1,0,0]=3 1618 B9R1.69 c1cc(c(cc1[Mg+])F)Cl H54018 [0,2,0,0,0,0|1,0,0]=3 1619 B9R1.69 c1cc(c(cc1[Mg+])F)F H54197 [0,2,0,0,0,0|1,0,0]=3 1620 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl H58566 [0,2,0,0,0,0|1,0,0]=3 1621 B9R1.69 c1cc(c(cc1[Zn+])Cl)F H58698 [0,2,0,0,0,0|1,0,0]=3 1622 B9R1.69 c1cc(c(cc1[Zn+])F)F H58478 [0,2,0,0,0,0|1,0,0]=3 1623 B9R1.69 c1cc(nc(c1Br)Br)Cl H27136 [0,2,0,0,0,0|2,0,0]=4 1624 B9R1.69 c1cc(nc(c1Br)Cl)Br H27738 [0,2,0,0,0,0|2,0,0]=4 1625 B9R1.69 c1cc(nc(c1Br)Cl)Cl H27797 [0,2,0,0,0,0|2,0,0]=4 1626 B9R1.69 c1cc(nc(c1F)F)F L19540 [0,2,0,0,0,0|2,0,0]=4 1627 B9R1.69 c1cc(nc(c1I)Cl)Cl H64366 [0,2,0,0,0,0|2,0,0]=4 1628 B9R1.69 c1cc(nc(c1I)F)Cl H32895 [0,2,0,0,0,0|2,0,0]=4 1629 B9R1.69 c1cc(nc(c1N)Cl)Cl H31598 [0,2,0,0,0,0|2,0,0]=4 1630 B9R1.69 c1cc(nc(c1N)N)Cl H61716 [0,2,0,0,0,0|2,0,0]=4 1631 B9R1.69 c1cc(nc(c1O)I)Cl H33127 [0,2,0,0,0,0|1,0,0]=3 1632 B9R1.3 C1=C[C@@H]([C@@H](C(=C1)I)O)O H35965 [0,2,0,0,0,0|0,0,2]=4 1633 B9R1.3 CC1=CC=C[C@@H]([C@@H]1O)O H35735 [0,2,0,0,0,0|0,0,2]=4 1634 B9R1.3 Cc1c(c(=O)cco1)O A10735 [0,2,0,0,0,0|1,0,0]=3 1635 B9R1.3 Cc1c(cccc1Br)Br A11832 [0,2,0,0,0,0|1,0,0]=3 1636 B9R1.3 Cc1c(cccc1Br)Cl B25697 [0,2,0,0,0,0|1,0,0]=3 1637 B9R1.3 Cc1c(cccc1Br)F L07511 [0,2,0,0,0,0|1,0,0]=3 1638 B9R1.3 Cc1c(cccc1Br)N A11884 [0,2,0,0,0,0|1,0,0]=3 1639 B9R1.3 Cc1c(cccc1Cl)Cl B24463 [0,2,0,0,0,0|1,0,0]=3 1640 B9R1.3 Cc1c(cccc1Cl)F A15650 [0,2,0,0,0,0|1,0,0]=3 1641 B9R1.3 Cc1c(cccc1Cl)N A18221 [0,2,0,0,0,0|1,0,0]=3 1642 B9R1.3 Cc1c(cccc1Cl)[Mg+] H54246 [0,2,0,0,0,0|1,0,0]=3 1643 B9R1.3 Cc1c(cccc1F)F B25076 [0,2,0,0,0,0|1,0,0]=3 1644 B9R1.3 Cc1c(cccc1F)N B22764 [0,2,0,0,0,0|1,0,0]=3 1645 B9R1.3 Cc1c(cccc1I)Cl A11582 [0,2,0,0,0,0|1,0,0]=3 1646 B9R1.3 Cc1c(cccc1I)F H55149 [0,2,0,0,0,0|1,0,0]=3 1647 B9R1.3 Cc1c(cccc1N)N L04278 [0,2,0,0,0,0|1,0,0]=3 1648 B9R1.3 Cc1c(cccc1O)N H66554 [0,2,0,0,0,0|0,0,0]=2 1649 B9R1.3 Cc1c(cccc1O)O A11821 [0,2,0,0,0,0|0,0,0]=2 1650 B9R1.3 Cc1c(cccc1[Mg+])F H54113 [0,2,0,0,0,0|1,0,0]=3 1651 B9R1.3 Cc1c(ccnc1Cl)I H50107 [0,2,0,0,0,0|2,0,0]=4 1652 B9R1.3 Cc1c(cncc1Br)Br L20037 [0,2,0,0,0,0|2,0,0]=4 1653 B9R1.3 Cc1c(ncnc1Cl)O H32440 [0,2,0,0,0,0|2,0,0]=4 1654 B9R1.3 Cc1cccc([n+]1[O-])C A14299 [0,2,0,0,0,0|1,0,1]=4 1655 B9R1.3 Cc1cccc(c1Br)C A13130 [0,2,0,0,0,0|1,0,0]=3 1656 B9R1.3 Cc1cccc(c1Br)F H61785 [0,2,0,0,0,0|1,0,0]=3 1657 B9R1.3 Cc1cccc(c1Br)N H64014 [0,2,0,0,0,0|1,0,0]=3 1658 B9R1.3 Cc1cccc(c1C)Br A15889 [0,2,0,0,0,0|1,0,0]=3 1659 B9R1.3 Cc1cccc(c1C)Cl B21505 [0,2,0,0,0,0|1,0,0]=3 1660 B9R1.3 Cc1cccc(c1C)F A10637 [0,2,0,0,0,0|1,0,0]=3 1661 B9R1.3 Cc1cccc(c1C)I A11774 [0,2,0,0,0,0|1,0,0]=3 1662 B9R1.3 Cc1cccc(c1C)N A10918 [0,2,0,0,0,0|1,0,0]=3 1663 B9R1.3 Cc1cccc(c1C)O B22860 [0,2,0,0,0,0|0,0,0]=2 1664 B9R1.3 Cc1cccc(c1C)[Mg+] H54871 [0,2,0,0,0,0|1,0,0]=3 1665 B9R1.3 Cc1cccc(c1Cl)C A17867 [0,2,0,0,0,0|1,0,0]=3 1666 B9R1.3 Cc1cccc(c1Cl)Cl A11206 [0,2,0,0,0,0|1,0,0]=3 1667 B9R1.3 Cc1cccc(c1F)Br H61492 [0,2,0,0,0,0|1,0,0]=3 1668 B9R1.3 Cc1cccc(c1F)C A10424 [0,2,0,0,0,0|1,0,0]=3 1669 B9R1.3 Cc1cccc(c1F)F B23958 [0,2,0,0,0,0|1,0,0]=3 1670 B9R1.3 Cc1cccc(c1F)N H61143 [0,2,0,0,0,0|1,0,0]=3 1671 B9R1.3 Cc1cccc(c1I)C A13439 [0,2,0,0,0,0|1,0,0]=3 1672 B9R1.3 Cc1cccc(c1I)Cl L06824 [0,2,0,0,0,0|1,0,0]=3 1673 B9R1.3 Cc1cccc(c1I)F H63151 [0,2,0,0,0,0|1,0,0]=3 1674 B9R1.3 Cc1cccc(c1N)C A14512 [0,2,0,0,0,0|1,0,0]=3 1675 B9R1.3 Cc1cccc(c1N)Cl L02629 [0,2,0,0,0,0|1,0,0]=3 1676 B9R1.3 Cc1cccc(c1N)F H55853 [0,2,0,0,0,0|1,0,0]=3 1677 B9R1.3 Cc1cccc(c1N)N A15647 [0,2,0,0,0,0|1,0,0]=3 1678 B9R1.3 Cc1cccc(c1O)C A11947 [0,2,0,0,0,0|0,0,0]=2 1679 B9R1.3 Cc1cccc(c1O)Cl L03617 [0,2,0,0,0,0|0,0,0]=2 1680 B9R1.3 Cc1cccc(c1O)O A12324 [0,2,0,0,0,0|0,0,0]=2 1681 B9R1.3 Cc1cccc(c1S)C A13286 [0,2,0,0,0,0|0,1,0]=3 1682 B9R1.3 Cc1cccc(c1S)Cl L10499 [0,2,0,0,0,0|0,1,0]=3 1683 B9R1.3 Cc1cccc(c1[Mg+])C H54138 [0,2,0,0,0,0|1,0,0]=3 1684 B9R1.3 Cc1ccnc(c1F)Br H64070 [0,2,0,0,0,0|2,0,0]=4 1685 B9R1.3 Cc1ccnc(c1N)C H66732 [0,2,0,0,0,0|2,0,0]=4 1686 B9R1.3 Cc1ccnc(c1N)Cl H26058 [0,2,0,0,0,0|2,0,0]=4 1687 B9R1.3 Cc1ccnc(c1N)F H64758 [0,2,0,0,0,0|2,0,0]=4 1688 B9R1.3 c1c(c(c(cn1)Br)Br)Br H31426 [0,2,0,0,0,0|2,0,0]=4 1689 B9R1.3 c1c(c(c(cn1)Br)N)N H66829 [0,2,0,0,0,0|2,0,0]=4 1690 B9R1.3 c1c(c(c(cn1)Br)O)N H66810 [0,2,0,0,0,0|1,0,0]=3 1691 B9R1.3 c1c(c(c(cn1)Cl)Br)Cl H64616 [0,2,0,0,0,0|2,0,0]=4 1692 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl A12587 [0,2,0,0,0,0|2,0,0]=4 1693 B9R1.3 c1c(c(c(cn1)Cl)N)Cl B24725 [0,2,0,0,0,0|2,0,0]=4 1694 B9R1.3 c1c(c(c(cn1)F)Cl)F H31611 [0,2,0,0,0,0|2,0,0]=4 1695 B9R1.3 c1c(c(c(cn1)I)N)Br H50030 [0,2,0,0,0,0|2,0,0]=4 1696 B9R1.3 c1cc([n+](c(c1)Cl)[O-])Cl H30427 [0,2,0,0,0,0|1,0,1]=4 1697 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl B21904 [0,2,0,0,0,0|1,0,0]=3 1698 B9R1.3 c1cc(c(c(c1)Br)F)Cl H61622 [0,2,0,0,0,0|1,0,0]=3 1699 B9R1.3 c1cc(c(c(c1)Br)F)F B21585 [0,2,0,0,0,0|1,0,0]=3 1700 B9R1.3 c1cc(c(c(c1)Br)I)Cl H66020 [0,2,0,0,0,0|1,0,0]=3 1701 B9R1.3 c1cc(c(c(c1)Br)N)Br L01285 [0,2,0,0,0,0|1,0,0]=3 1702 B9R1.3 c1cc(c(c(c1)Br)N)F H25774 [0,2,0,0,0,0|1,0,0]=3 1703 B9R1.3 c1cc(c(c(c1)Br)O)Br A10573 [0,2,0,0,0,0|0,0,0]=2 1704 B9R1.3 c1cc(c(c(c1)Br)O)O H26925 [0,2,0,0,0,0|0,0,0]=2 1705 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl L11062 [0,2,0,0,0,0|1,0,0]=3 1706 B9R1.3 c1cc(c(c(c1)Cl)Cl)Cl B22154 [0,2,0,0,0,0|1,0,0]=3 1707 B9R1.3 c1cc(c(c(c1)Cl)Cl)N A11524 [0,2,0,0,0,0|1,0,0]=3 1708 B9R1.3 c1cc(c(c(c1)Cl)Cl)O B22943 [0,2,0,0,0,0|0,0,0]=2 1709 B9R1.3 c1cc(c(c(c1)Cl)Cl)S A15491 [0,2,0,0,0,0|0,1,0]=3 1710 B9R1.3 c1cc(c(c(c1)Cl)F)Cl B21526 [0,2,0,0,0,0|1,0,0]=3 1711 B9R1.3 c1cc(c(c(c1)Cl)F)N H51144 [0,2,0,0,0,0|1,0,0]=3 1712 B9R1.3 c1cc(c(c(c1)Cl)F)O H26725 [0,2,0,0,0,0|0,0,0]=2 1713 B9R1.3 c1cc(c(c(c1)Cl)I)Cl H55365 [0,2,0,0,0,0|1,0,0]=3 1714 B9R1.3 c1cc(c(c(c1)Cl)N)Cl A12320 [0,2,0,0,0,0|1,0,0]=3 1715 B9R1.3 c1cc(c(c(c1)Cl)N)F A15848 [0,2,0,0,0,0|1,0,0]=3 1716 B9R1.3 c1cc(c(c(c1)Cl)O)Cl A14411 [0,2,0,0,0,0|0,0,0]=2 1717 B9R1.3 c1cc(c(c(c1)Cl)O)F B23303 [0,2,0,0,0,0|0,0,0]=2 1718 B9R1.3 c1cc(c(c(c1)Cl)S)Cl A12854 [0,2,0,0,0,0|0,1,0]=3 1719 B9R1.3 c1cc(c(c(c1)F)Br)F A10633 [0,2,0,0,0,0|1,0,0]=3 1720 B9R1.3 c1cc(c(c(c1)F)Br)N H61687 [0,2,0,0,0,0|1,0,0]=3 1721 B9R1.3 c1cc(c(c(c1)F)F)F B22055 [0,2,0,0,0,0|1,0,0]=3 1722 B9R1.3 c1cc(c(c(c1)F)F)N B21665 [0,2,0,0,0,0|1,0,0]=3 1723 B9R1.3 c1cc(c(c(c1)F)F)O A16971 [0,2,0,0,0,0|0,0,0]=2 1724 B9R1.3 c1cc(c(c(c1)F)N)F A13020 [0,2,0,0,0,0|1,0,0]=3 1725 B9R1.3 c1cc(c(c(c1)F)O)F A16034 [0,2,0,0,0,0|0,0,0]=2 1726 B9R1.3 c1cc(c(c(c1)F)O)N H66626 [0,2,0,0,0,0|0,0,0]=2 1727 B9R1.3 c1cc(c(c(c1)F)O)O B22145 [0,2,0,0,0,0|0,0,0]=2 1728 B9R1.3 c1cc(c(c(c1)F)[Zn+])F H58845 [0,2,0,0,0,0|1,0,0]=3 1729 B9R1.3 c1cc(c(c(c1)I)Cl)Cl A11647 [0,2,0,0,0,0|1,0,0]=3 1730 B9R1.3 c1cc(c(c(c1)O)I)O H35941 [0,2,0,0,0,0|0,0,0]=2 1731 B9R1.3 c1cc(c(c(c1)O)O)O 44152 [0,2,0,0,0,0|0,0,0]=2 1732 B9R1.3 c1cc(c(c(c1)O)O)O A13405 [0,2,0,0,0,0|0,0,0]=2 1733 B9R1.3 c1cc(c(c(c1)[Zn+])Cl)Cl H58555 [0,2,0,0,0,0|1,0,0]=3 1734 B9R1.3 c1cc(c(c(c1)[Zn+])F)F H58745 [0,2,0,0,0,0|1,0,0]=3 1735 B9R1.3 c1cnc(c(c1Br)Br)F H27063 [0,2,0,0,0,0|2,0,0]=4 1736 B9R1.3 c1cnc(c(c1Br)Cl)F H64362 [0,2,0,0,0,0|2,0,0]=4 1737 B9R1.3 c1cnc(c(c1Br)I)Cl H50055 [0,2,0,0,0,0|2,0,0]=4 1738 B9R1.3 c1cnc(c(c1Cl)I)N H34118 [0,2,0,0,0,0|2,0,0]=4 1739 B9R1.3 c1cnc(c(c1F)I)F H66280 [0,2,0,0,0,0|2,0,0]=4 1740 B9R1.3 c1cnc(c(c1I)F)Cl H64610 [0,2,0,0,0,0|2,0,0]=4 1741 B9R1.3 c1cnc(c(c1N)Br)Cl H52359 [0,2,0,0,0,0|2,0,0]=4 1742 B9R1.3 c1cnc(c(c1N)I)Cl H33136 [0,2,0,0,0,0|2,0,0]=4 1743 B9R1.34 Cc1cc(=O)cc(o1)C A12799 [0,2,0,0,0,0|1,0,1]=4 1744 B9R1.34 Cc1cc([o+]c(c1)C)C L00467 [0,2,0,0,0,0|2,0,0]=4 1745 B9R1.34 Cc1cc(cc(=O)o1)O L11457 [0,2,0,0,0,0|1,0,0]=3 1746 B9R1.34 Cc1cc(cc(c1)Br)Br A13756 [0,2,0,0,0,0|1,0,0]=3 1747 B9R1.34 Cc1cc(cc(c1)Br)C B21610 [0,2,0,0,0,0|1,0,0]=3 1748 B9R1.34 Cc1cc(cc(c1)Br)F H61544 [0,2,0,0,0,0|1,0,0]=3 1749 B9R1.34 Cc1cc(cc(c1)Br)N H61519 [0,2,0,0,0,0|1,0,0]=3 1750 B9R1.34 Cc1cc(cc(c1)C)C 39589 [0,2,0,0,0,0|1,0,0]=3 1751 B9R1.34 Cc1cc(cc(c1)C)C A11323 [0,2,0,0,0,0|1,0,0]=3 1752 B9R1.34 Cc1cc(cc(c1)Cl)N H66518 [0,2,0,0,0,0|1,0,0]=3 1753 B9R1.34 Cc1cc(cc(c1)F)C A15020 [0,2,0,0,0,0|1,0,0]=3 1754 B9R1.34 Cc1cc(cc(c1)F)O H26630 [0,2,0,0,0,0|0,0,0]=2 1755 B9R1.34 Cc1cc(cc(c1)I)C A18413 [0,2,0,0,0,0|1,0,0]=3 1756 B9R1.34 Cc1cc(cc(c1)N)C A10570 [0,2,0,0,0,0|1,0,0]=3 1757 B9R1.34 Cc1cc(cc(c1)O)C A12236 [0,2,0,0,0,0|0,0,0]=2 1758 B9R1.34 Cc1cc(cc(c1)O)O A10440 [0,2,0,0,0,0|0,0,0]=2 1759 B9R1.34 Cc1cc(cc(c1)O)O L18567 [0,2,0,0,0,0|0,0,0]=2 1760 B9R1.34 Cc1cc(cc(c1)S)C L08403 [0,2,0,0,0,0|0,1,0]=3 1761 B9R1.34 Cc1cc(cc(c1)[Mg+])C H54057 [0,2,0,0,0,0|1,0,0]=3 1762 B9R1.34 Cc1cc(cc(c1)[Zn+])C H58027 [0,2,0,0,0,0|1,0,0]=3 1763 B9R1.34 Cc1cc(cc(n1)C)N H61970 [0,2,0,0,0,0|2,0,0]=4 1764 B9R1.34 Cc1cc(cc(n1)Cl)Cl H64248 [0,2,0,0,0,0|2,0,0]=4 1765 B9R1.34 Cc1cc(nc(c1)Br)F H64449 [0,2,0,0,0,0|2,0,0]=4 1766 B9R1.34 Cc1cc(nc(c1)C)C A11058 [0,2,0,0,0,0|2,0,0]=4 1767 B9R1.34 Cc1cc(nc(c1)Cl)C H64733 [0,2,0,0,0,0|2,0,0]=4 1768 B9R1.34 Cc1cc(nc(c1)Cl)Cl H61767 [0,2,0,0,0,0|2,0,0]=4 1769 B9R1.34 Cc1cc(nc(c1)O)O H27860 [0,2,0,0,0,0|1,0,0]=3 1770 B9R1.34 Cc1cc(nc(n1)C)O A10960 [0,2,0,0,0,0|2,0,0]=4 1771 B9R1.34 Cc1cc(nc(n1)N)O B24604 [0,2,0,0,0,0|2,0,0]=4 1772 B9R1.34 Cc1cc(nc(n1)O)C A13676 [0,2,0,0,0,0|2,0,0]=4 1773 B9R1.34 Cc1nc(cc(n1)Cl)O H33478 [0,2,0,0,0,0|2,0,0]=4 1774 B9R1.34 Cc1nc(cc(n1)O)N L07496 [0,2,0,0,0,0|2,0,0]=4 1775 B9R1.34 Cc1nc(cc(n1)O)O A10535 [0,2,0,0,0,0|2,0,0]=4 1776 B9R1.34 c1c(cc(cc1Br)Br)Br B23860 [0,2,0,0,0,0|1,0,0]=3 1777 B9R1.34 c1c(cc(cc1Br)Br)Cl B25411 [0,2,0,0,0,0|1,0,0]=3 1778 B9R1.34 c1c(cc(cc1Br)Br)F A15078 [0,2,0,0,0,0|1,0,0]=3 1779 B9R1.34 c1c(cc(cc1Br)Br)O H60642 [0,2,0,0,0,0|0,0,0]=2 1780 B9R1.34 c1c(cc(cc1Cl)Br)Cl B25492 [0,2,0,0,0,0|1,0,0]=3 1781 B9R1.34 c1c(cc(cc1Cl)Br)F A16597 [0,2,0,0,0,0|1,0,0]=3 1782 B9R1.34 c1c(cc(cc1Cl)Br)O H64844 [0,2,0,0,0,0|0,0,0]=2 1783 B9R1.34 c1c(cc(cc1Cl)Cl)Cl L02132 [0,2,0,0,0,0|1,0,0]=3 1784 B9R1.34 c1c(cc(cc1Cl)Cl)N A13922 [0,2,0,0,0,0|1,0,0]=3 1785 B9R1.34 c1c(cc(cc1Cl)Cl)O A15328 [0,2,0,0,0,0|0,0,0]=2 1786 B9R1.34 c1c(cc(cc1Cl)Cl)S L10697 [0,2,0,0,0,0|0,1,0]=3 1787 B9R1.34 c1c(cc(cc1Cl)Cl)[Mg+] H54955 [0,2,0,0,0,0|1,0,0]=3 1788 B9R1.34 c1c(cc(cc1Cl)I)Cl A13192 [0,2,0,0,0,0|1,0,0]=3 1789 B9R1.34 c1c(cc(cc1Cl)[Zn+])Cl H58050 [0,2,0,0,0,0|1,0,0]=3 1790 B9R1.34 c1c(cc(cc1F)Br)F A14053 [0,2,0,0,0,0|1,0,0]=3 1791 B9R1.34 c1c(cc(cc1F)Br)N H61238 [0,2,0,0,0,0|1,0,0]=3 1792 B9R1.34 c1c(cc(cc1F)Br)O H55288 [0,2,0,0,0,0|0,0,0]=2 1793 B9R1.34 c1c(cc(cc1F)Cl)F L10772 [0,2,0,0,0,0|1,0,0]=3 1794 B9R1.34 c1c(cc(cc1F)Cl)N H26338 [0,2,0,0,0,0|1,0,0]=3 1795 B9R1.34 c1c(cc(cc1F)Cl)O H26195 [0,2,0,0,0,0|0,0,0]=2 1796 B9R1.34 c1c(cc(cc1F)F)F A15984 [0,2,0,0,0,0|1,0,0]=3 1797 B9R1.34 c1c(cc(cc1F)F)N A16528 [0,2,0,0,0,0|1,0,0]=3 1798 B9R1.34 c1c(cc(cc1F)F)O A15177 [0,2,0,0,0,0|0,0,0]=2 1799 B9R1.34 c1c(cc(cc1F)I)F L19510 [0,2,0,0,0,0|1,0,0]=3 1800 B9R1.34 c1c(cc(cc1F)I)N H34457 [0,2,0,0,0,0|1,0,0]=3 1801 B9R1.34 c1c(cc(cc1F)[Mg+])F H54622 [0,2,0,0,0,0|1,0,0]=3 1802 B9R1.34 c1c(cc(cc1F)[Zn+])F H58773 [0,2,0,0,0,0|1,0,0]=3 1803 B9R1.34 c1c(cc(cc1N)Cl)N L06485 [0,2,0,0,0,0|1,0,0]=3 1804 B9R1.34 c1c(cc(cc1O)O)O A13034 [0,2,0,0,0,0|0,0,0]=2 1805 B9R1.34 c1c(cc(cc1O)O)O B25502 [0,2,0,0,0,0|0,0,0]=2 1806 B9R1.34 c1c(cc(cc1[Mg+])Cl)F H54775 [0,2,0,0,0,0|1,0,0]=3 1807 B9R1.34 c1c(cc(nc1Cl)Cl)Cl H56787 [0,2,0,0,0,0|2,0,0]=4 1808 B9R1.34 c1c(cc(nc1Cl)Cl)I H26946 [0,2,0,0,0,0|2,0,0]=4 1809 B9R1.34 c1c(cc(nc1Cl)Cl)N A15030 [0,2,0,0,0,0|2,0,0]=4 1810 B9R1.34 c1c(cc(nc1F)F)F L19541 [0,2,0,0,0,0|2,0,0]=4 1811 B9R1.34 c1c(cc(nc1F)F)N H34083 [0,2,0,0,0,0|2,0,0]=4 1812 B9R1.34 c1c(nc(nc1O)N)N B21240 [0,2,0,0,0,0|2,0,0]=4 1813 B9R1.34 c1c(nc(nc1O)N)O A11813 [0,2,0,0,0,0|2,0,0]=4 1814 B9R1.34 c1c(nc(nc1O)S)N L01992 [0,2,0,0,0,0|2,0,0]=4 1815 B9R1.34 c1c(nc(nc1O)S)O A12681 [0,2,0,0,0,0|2,0,0]=4 1816 B7R1.24 C1C=CC=CC=C1 39244 [0,0,1,1,0,0|1,0,0]=3 1817 B7R1.24 C1C=CC=CC=C1 A17064 [0,0,1,1,0,0|1,0,0]=3 1818 B7R1.24 c1ccc[cH+]cc1 A14045 [0,0,1,1,0,0|1,0,0]=3 1819 B5R1.1 C1C=CC=C1 31114 [1,0,0,0,1,0|0,0,1]=3 1820 B5R1.1 C1C=CC=C1 39245 [1,0,0,0,1,0|0,0,1]=3 1821 B5R1.1 C1C=CC=C1 87202 [1,0,0,0,1,0|0,0,1]=3 1822 B5R1.1 C1C=CC=C1 H27238 [1,0,0,0,1,0|0,0,1]=3 1823 B5R1.1 C1C=CC=C1 H27389 [1,0,0,0,1,0|0,0,1]=3 1824 B5R1.1 C1C=CC=C1 H27818 [1,0,0,0,1,0|0,0,1]=3 1825 B5R1.1 [cH-]1cccc1 39329 [1,0,0,0,1,0|0,0,1]=3 1826 B5R1.1 [cH-]1cccc1 88300 [1,0,0,0,1,0|0,0,1]=3 1827 B5R1.1 c1c[nH]nc1 A14186 [1,0,0,0,1,0|2,0,0]=4 1828 B5R1.1 c1cc[nH]c1 A12616 [1,0,0,0,1,0|1,0,0]=3 1829 B5R1.1 c1ccoc1 A13102 [1,0,0,0,1,0|1,0,0]=3 1830 B5R1.1 c1ccsc1 A13941 [1,0,0,0,1,0|1,0,0]=3 1831 B5R1.1 c1cnc[nH]1 A10221 [1,0,0,0,1,0|2,0,0]=4 1832 B5R1.1 c1cnc[nH]1 J61956 [1,0,0,0,1,0|2,0,0]=4 1833 B5R1.1 c1cnc[nH]1 J62207 [1,0,0,0,1,0|2,0,0]=4 1834 B5R1.1 c1cnc[nH]1 J62593 [1,0,0,0,1,0|2,0,0]=4 1835 B5R1.1 c1cnc[nH]1 J63496 [1,0,0,0,1,0|2,0,0]=4 1836 B5R1.1 c1cnc[nH]1 J63887 [1,0,0,0,1,0|2,0,0]=4 1837 B5R1.1 c1cnc[nH]1 J67055 [1,0,0,0,1,0|2,0,0]=4 1838 B5R1.1 c1cnc[nH]1 J67255 [1,0,0,0,1,0|2,0,0]=4 1839 B5R1.1 c1cnoc1 L01607 [1,0,0,0,1,0|2,0,0]=4 1840 B5R1.1 c1cocn1 L18341 [1,0,0,0,1,0|2,0,0]=4 1841 B5R1.1 c1cscn1 L09970 [1,0,0,0,1,0|2,0,0]=4