0 B6R1.2 C1C=CC(=C1)Br H26076 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 C1C=CC(=O)O1 L13142 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 C1C=CC=C1Br L17045 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 C1C=CC=C1[Co] 23136 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 C1C=CC=C1[Mn] 38606 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 C1C=CC=C1[Mo+4] 40522 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 C1C=CC=C1[Nb+4] 39246 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 C1C=CC=C1[Re] 33655 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 C1C=CC=C1[Ti+3] 77134 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 C1C=CC=C1[Tl] 13958 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 C1C=CC=C1[V] 81123 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 C1C=CC=C1[Zr+3] 20617 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 C1CC(=O)C=C1 B23408 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 CC1=CC=CC1 H27241 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 CC1=CCC=C1 H27464 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.2 CC1=CCCC1 A18816 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 CC1=NCCC1 44853 [0,0,0,0,0,0|3,0,1]=4 17 B6R1.2 CC1=NCCN1 A15113 [0,0,0,0,0,0|4,0,0]=4 18 B6R1.2 CC1=NCCO1 B24612 [0,0,0,0,0,0|4,0,0]=4 19 B6R1.2 CC1=NCCS1 L01329 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 Cc1[nH]ccn1 A17063 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 Cc1[nH]nnn1 H60248 [0,0,0,0,0,0|2,0,1]=3 22 B6R1.2 Cc1c[nH]cn1 B24139 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.2 Cc1c[nH]cn1 L20184 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 Cc1c[nH]nc1 A18083 [0,0,0,0,0,0|0,0,0]=0 25 B6R1.2 Cc1cc[nH]n1 L01618 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 Cc1ccco1 B23692 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 Cc1cccs1 A12736 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.2 Cc1ccsc1 A13394 [0,0,0,0,0,0|2,0,0]=2 29 B6R1.2 Cc1cncs1 L15879 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 Cc1cscn1 A15428 [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 Cn1cccc1 B21451 [0,0,0,0,0,0|3,0,0]=3 32 B6R1.2 Cn1cccn1 L14831 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 Cn1ccnc1 A12575 [0,0,0,0,0,0|2,0,0]=2 34 B6R1.2 Cn1cncn1 L18337 [0,0,0,0,0,0|3,0,0]=3 35 B6R1.2 c1([nH]nnn1)N B24018 [0,0,0,0,0,0|3,0,1]=4 36 B6R1.2 c1[nH]nc(n1)Cl H52387 [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 c1[nH]nc(n1)N A14871 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 c1[nH]nc(n1)S A13120 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 c1c(cn[nH]1)Br H64673 [0,0,0,0,0,0|1,0,0]=1 40 B6R1.2 c1c(cn[nH]1)I H56369 [0,0,0,0,0,0|1,0,0]=1 41 B6R1.2 c1c(cn[nH]1)N H28921 [0,0,0,0,0,0|1,0,0]=1 42 B6R1.2 c1c(nc[nH]1)Br H64972 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 c1c(scn1)Br H55387 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 c1c[nH]nc1I H36465 [0,0,0,0,0,0|3,0,0]=3 45 B6R1.2 c1c[nH]nc1N A14458 [0,0,0,0,0,0|3,0,0]=3 46 B6R1.2 c1cc(oc1)Br H63218 [0,0,0,0,0,0|4,0,0]=4 47 B6R1.2 c1cc(sc1)Br A11959 [0,0,0,0,0,0|4,0,0]=4 48 B6R1.2 c1cc(sc1)Cl A10390 [0,0,0,0,0,0|4,0,0]=4 49 B6R1.2 c1cc(sc1)I A12898 [0,0,0,0,0,0|4,0,0]=4 50 B6R1.2 c1cc(sc1)S B22642 [0,0,0,0,0,0|4,0,0]=4 51 B6R1.2 c1cc(sc1)[Zn+] H58397 [0,0,0,0,0,0|4,0,0]=4 52 B6R1.2 c1cocc1Br B23543 [0,0,0,0,0,0|3,0,0]=3 53 B6R1.2 c1cscc1Br A14022 [0,0,0,0,0,0|3,0,0]=3 54 B6R1.2 c1cscc1Cl B22669 [0,0,0,0,0,0|3,0,0]=3 55 B6R1.2 c1cscc1I L17581 [0,0,0,0,0,0|3,0,0]=3 56 B6R1.2 c1nnc(s1)N L01244 [0,0,0,0,0,0|4,0,0]=4 57 B6R1.2 c1nnc(s1)S B22556 [0,0,0,0,0,0|4,0,0]=4 58 B6R1.2 c1nncn1N A17716 [0,0,0,0,0,0|2,0,1]=3 59 B5R1.1 C1C=CC=C1 31114 [1,0,0,0,0,0|2,0,0]=3 60 B5R1.1 C1C=CC=C1 39245 [1,0,0,0,0,0|2,0,0]=3 61 B5R1.1 C1C=CC=C1 87202 [1,0,0,0,0,0|2,0,0]=3 62 B5R1.1 C1C=CC=C1 H27238 [1,0,0,0,0,0|2,0,0]=3 63 B5R1.1 C1C=CC=C1 H27389 [1,0,0,0,0,0|2,0,0]=3 64 B5R1.1 C1C=CC=C1 H27818 [1,0,0,0,0,0|2,0,0]=3 65 B5R1.1 C1C=CCN1 H26072 [1,0,0,0,0,0|1,0,1]=3 66 B5R1.1 C1C=CCN1 L16349 [1,0,0,0,0,0|1,0,1]=3 67 B5R1.1 C1CC=CC1 41461 [1,0,0,0,0,0|2,0,1]=4 68 B5R1.1 C1CC=CC1 A11027 [1,0,0,0,0,0|2,0,1]=4 69 B5R1.1 C1COC=C1 B20575 [1,0,0,0,0,0|2,0,1]=4 70 B5R1.1 [cH-]1cccc1 39329 [1,0,0,0,0,0|2,0,0]=3 71 B5R1.1 [cH-]1cccc1 88300 [1,0,0,0,0,0|2,0,0]=3 72 B5R1.1 c1[nH]ncn1 A11597 [1,0,0,0,0,0|1,0,0]=2 73 B5R1.1 c1c[nH]nc1 A14186 [1,0,0,0,0,0|0,0,0]=1 74 B5R1.1 c1cc[nH]c1 A12616 [1,0,0,0,0,0|1,0,0]=2 75 B5R1.1 c1ccoc1 A13102 [1,0,0,0,0,0|2,0,0]=3 76 B5R1.1 c1ccsc1 A13941 [1,0,0,0,0,0|2,0,0]=3 77 B5R1.1 c1cnc[nH]1 A10221 [1,0,0,0,0,0|2,0,0]=3 78 B5R1.1 c1cnc[nH]1 J61956 [1,0,0,0,0,0|2,0,0]=3 79 B5R1.1 c1cnc[nH]1 J62207 [1,0,0,0,0,0|2,0,0]=3 80 B5R1.1 c1cnc[nH]1 J62593 [1,0,0,0,0,0|2,0,0]=3 81 B5R1.1 c1cnc[nH]1 J63496 [1,0,0,0,0,0|2,0,0]=3 82 B5R1.1 c1cnc[nH]1 J63887 [1,0,0,0,0,0|2,0,0]=3 83 B5R1.1 c1cnc[nH]1 J67055 [1,0,0,0,0,0|2,0,0]=3 84 B5R1.1 c1cnc[nH]1 J67255 [1,0,0,0,0,0|2,0,0]=3 85 B5R1.1 c1cnn[nH]1 A16999 [1,0,0,0,0,0|1,0,0]=2 86 B5R1.1 c1cnoc1 L01607 [1,0,0,0,0,0|1,0,0]=2 87 B5R1.1 c1cocn1 L18341 [1,0,0,0,0,0|2,0,0]=3 88 B5R1.1 c1cscn1 L09970 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.1 C#Cc1ccsc1 H55898 [0,1,0,0,0,0|2,0,1]=4 90 B7R1.1 C(c1[nH]nnn1)Cl H61643 [0,1,0,0,0,0|2,0,1]=4 91 B7R1.1 C1C=CC=C1CO 39257 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.1 C=Cn1ccnc1 L16174 [0,1,0,0,0,0|2,0,1]=4 93 B7R1.1 CCC1=CC=CC1 39253 [0,1,0,0,0,0|2,0,1]=4 94 B7R1.1 CCC1=CC=CC1 H27592 [0,1,0,0,0,0|2,0,1]=4 95 B7R1.1 CCC1=CC=CC1 H27618 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.1 CCC1=CC=CC1 H27769 [0,1,0,0,0,0|2,0,1]=4 97 B7R1.1 CCc1ccco1 A15520 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.1 CCc1cccs1 A13372 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.1 COc1ccco1 A15593 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.1 COc1cccs1 A10455 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.1 COc1ccsc1 B21940 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.1 CSc1c[nH]cn1 H63990 [0,1,0,0,0,0|2,0,0]=3 103 B7R1.1 CSc1cccs1 A11763 [0,1,0,0,0,0|3,0,0]=4 104 B7R1.1 C[Mn]C1=CC=CC1 47125 [0,1,0,0,0,0|2,0,1]=4 105 B7R1.1 c1c(nc[nH]1)C=O B25050 [0,1,0,0,0,0|2,0,1]=4 106 B7R1.1 c1c(nc[nH]1)CO L20182 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 c1c(nns1)C=O L20211 [0,1,0,0,0,0|2,0,1]=4 108 B7R1.1 c1c(scn1)C=O H60138 [0,1,0,0,0,0|2,0,1]=4 109 B7R1.1 c1c[nH]cc1C=O H35559 [0,1,0,0,0,0|1,0,1]=3 110 B7R1.1 c1cc(oc1)CN B23975 [0,1,0,0,0,0|3,0,0]=4 111 B7R1.1 c1cc(oc1)CO A10968 [0,1,0,0,0,0|3,0,0]=4 112 B7R1.1 c1cc(oc1)CS B22380 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.1 c1cc(sc1)CN A11700 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.1 c1cc(sc1)CO A15768 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.1 c1cocc1C#N L14019 [0,1,0,0,0,0|2,0,1]=4 116 B7R1.1 c1cocc1C=O A11334 [0,1,0,0,0,0|2,0,1]=4 117 B7R1.1 c1cscc1C#N L13115 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.1 c1cscc1C=O A14628 [0,1,0,0,0,0|2,0,1]=4 119 B7R1.1 c1cscc1CBr H61497 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.1 c1cscc1CN H61487 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.1 c1cscc1CO L01935 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.1 c1ncn(n1)CCl H33830 [0,1,0,0,0,0|3,0,0]=4 123 B7R1.2 CC1=CC(=O)CC1 A13993 [0,1,0,0,0,0|2,0,1]=4 124 B7R1.2 CC1=CCC(=O)O1 L07602 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.2 CC1=NNC(=O)C1 A10253 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.2 Cc1c[nH]c(n1)C A11949 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.2 Cc1cc(n[nH]1)C A10157 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.2 Cc1cc(n[nH]1)N A11642 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.2 Cc1cc(no1)O 44450 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.2 Cc1cc(on1)C A12217 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.2 Cc1cc(on1)N A12446 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.2 Cc1ccc(o1)C A12833 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.2 Cc1ccc(s1)C A10869 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.2 Cc1ccc(s1)Cl B21657 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.2 Cc1cnc(s1)Br H63951 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.2 Cc1cnc(s1)N L11039 [0,1,0,0,0,0|2,0,0]=3 137 B7R1.2 Cc1csc(n1)C A13604 [0,1,0,0,0,0|3,0,0]=4 138 B7R1.2 Cc1csc(n1)N A14847 [0,1,0,0,0,0|3,0,0]=4 139 B7R1.2 Cc1csc(n1)S A19520 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.2 Cc1nnc(s1)C A17227 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.2 Cc1nnc(s1)S B21355 [0,1,0,0,0,0|3,0,0]=4 142 B7R1.2 Cn1cc(cn1)Br H64768 [0,1,0,0,0,0|1,0,0]=2 143 B7R1.2 Cn1cc(cn1)N H33728 [0,1,0,0,0,0|1,0,0]=2 144 B7R1.2 Cn1cc[n+](c1)C H27788 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.2 Cn1cc[n+](c1)C H59928 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.2 Cn1ccc(n1)I H66356 [0,1,0,0,0,0|3,0,0]=4 147 B7R1.2 Cn1ccc(n1)N H30935 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.2 c1c(csc1Br)Br L13591 [0,1,0,0,0,0|3,0,0]=4 149 B7R1.2 c1c(n[nH]c1O)N A11412 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.2 c1c(sc(n1)Br)Br H26909 [0,1,0,0,0,0|3,0,0]=4 151 B7R1.2 c1c(sc(n1)N)Br H31514 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.2 c1c(sc(n1)N)Cl L05707 [0,1,0,0,0,0|3,0,0]=4 153 B7R1.4 Cc1c(c[nH]n1)Br B20069 [0,1,0,0,0,0|1,0,0]=2 154 B7R1.4 Cc1c(scn1)C A10785 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.4 Cc1c[nH]nc1C H37099 [0,1,0,0,0,0|0,0,0]=1 156 B7R1.4 Cc1ccoc1C L15705 [0,1,0,0,0,0|2,0,0]=3 157 B7R1.4 Cc1ccsc1Br L11393 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.4 Cc1ccsc1C H31641 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.4 Cc1ccsc1Cl H27957 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.4 Cc1nccn1C B23544 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.4 Cn1c(ccn1)I H37465 [0,1,0,0,0,0|3,0,0]=4 162 B7R1.4 Cn1c(nnn1)S B20443 [0,1,0,0,0,0|2,0,1]=4 163 B7R1.4 Cn1ccnc1Br H52407 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.4 Cn1ccnc1Cl H51867 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.4 Cn1ccnc1I H51862 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.4 Cn1ccnc1S A13094 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.4 Cn1cncc1Cl L11899 [0,1,0,0,0,0|2,0,0]=3 168 B7R1.4 Cn1cncc1I H56932 [0,1,0,0,0,0|2,0,0]=3 169 B7R1.4 Cn1cnnc1S L08007 [0,1,0,0,0,0|1,0,1]=3 170 B7R1.4 c1(c(nsn1)Cl)Cl A11738 [0,1,0,0,0,0|3,0,0]=4 171 B7R1.4 c1[nH]c(c(n1)Cl)Cl L06262 [0,1,0,0,0,0|3,0,0]=4 172 B7R1.4 c1c(c(cs1)Br)Br A10512 [0,1,0,0,0,0|3,0,0]=4 173 B7R1.4 c1c(c(n[nH]1)N)Br A11012 [0,1,0,0,0,0|1,0,0]=2 174 B7R1.4 c1coc(c1Br)Br L15518 [0,1,0,0,0,0|3,0,0]=4 175 B7R1.4 c1csc(c1Br)Br A12998 [0,1,0,0,0,0|3,0,0]=4 176 B7R1.4 c1csc(c1Br)Cl L19318 [0,1,0,0,0,0|3,0,0]=4 177 B7R1.4 c1csc(c1Cl)Cl L10578 [0,1,0,0,0,0|3,0,0]=4 178 B5R0.1 CC(=C)CCO B23398 [0,0,1,0,0,0|2,0,1]=4 179 B5R0.1 CC(=CC=O)C B22226 [0,0,1,0,0,0|2,0,1]=4 180 B5R0.1 CC(=CCBr)C A13388 [0,0,1,0,0,0|2,0,1]=4 181 B5R0.1 CC(=CCCl)C A16545 [0,0,1,0,0,0|2,0,1]=4 182 B5R0.1 CC(=CCO)C A16089 [0,0,1,0,0,0|2,0,1]=4 183 B5R0.1 CC(=CCO)C H36436 [0,0,1,0,0,0|2,0,1]=4 184 B5R0.1 CCCC(=C)C H53373 [0,0,1,0,0,0|2,0,1]=4 185 B5R0.1 C\C(=C\C#N)\N L05316 [0,0,1,0,0,0|2,0,1]=4 186 B5R0.1 C\C(=C\CCl)\Cl L20334 [0,0,1,0,0,0|3,0,0]=4 187 B5R0.1 C\C=C\C(=O)C L13031 [0,0,1,0,0,0|3,0,0]=4 188 B5R0.2 CCC\C=C/C H53506 [0,0,1,0,0,0|2,0,1]=4 189 B5R0.2 CCC\C=C\C B22289 [0,0,1,0,0,0|2,0,1]=4 190 B5R0.2 CCC\C=C\C H53472 [0,0,1,0,0,0|2,0,1]=4 191 B5R0.2 CCO\C=C\C H26319 [0,0,1,0,0,0|2,0,1]=4 192 B5R0.2 C\C=C\C=C\C H53404 [0,0,1,0,0,0|2,0,1]=4 193 B5R0.2 C\C=C\CC=C B20060 [0,0,1,0,0,0|2,0,0]=3 194 B5R0.3 C\C=C(/C)\C=O L08113 [0,0,1,0,0,0|2,0,0]=3 195 B7R1.3 CC1=CCC=CC1 B20298 [0,0,0,0,0,1|2,0,0]=3 196 B7R1.3 CC1=CCCCC1 L15014 [0,0,0,0,0,1|2,0,1]=4 197 B7R1.3 Cc1ccccc1 16371 [0,0,0,0,0,1|2,0,0]=3 198 B7R1.3 Cc1ccccc1 19376 [0,0,0,0,0,1|2,0,0]=3 199 B7R1.3 Cc1ccccc1 19399 [0,0,0,0,0,1|2,0,0]=3 200 B7R1.3 Cc1ccccc1 19402 [0,0,0,0,0,1|2,0,0]=3 201 B7R1.3 Cc1ccccc1 22903 [0,0,0,0,0,1|2,0,0]=3 202 B7R1.3 Cc1ccccc1 31755 [0,0,0,0,0,1|2,0,0]=3 203 B7R1.3 Cc1ccccc1 41464 [0,0,0,0,0,1|2,0,0]=3 204 B7R1.3 Cc1ccccc1 41841 [0,0,0,0,0,1|2,0,0]=3 205 B7R1.3 Cc1ccccc1 43061 [0,0,0,0,0,1|2,0,0]=3 206 B7R1.3 Cc1ccccc1 47136 [0,0,0,0,0,1|2,0,0]=3 207 B7R1.3 Cc1ccccc1 L10967 [0,0,0,0,0,1|2,0,0]=3 208 B7R1.3 Cc1ccccc1 L13317 [0,0,0,0,0,1|2,0,0]=3 209 B7R1.3 Cc1ccccn1 A10847 [0,0,0,0,0,1|2,0,0]=3 210 B7R1.3 Cc1cccnc1 A14012 [0,0,0,0,0,1|1,0,0]=2 211 B7R1.3 Cc1cccnn1 A14097 [0,0,0,0,0,1|2,0,0]=3 212 B7R1.3 Cc1ccncc1 A15595 [0,0,0,0,0,1|1,0,0]=2 213 B7R1.3 Cc1ccncn1 A13170 [0,0,0,0,0,1|1,0,0]=2 214 B7R1.3 Cc1ccnnc1 L09749 [0,0,0,0,0,1|0,0,1]=2 215 B7R1.3 Cc1cnccn1 A14146 [0,0,0,0,0,1|1,0,0]=2 216 B7R1.3 Cc1cncnc1 L19638 [0,0,0,0,0,1|0,0,1]=2 217 B7R1.3 [Li]c1ccccc1 45770 [0,0,0,0,0,1|3,0,0]=4 218 B7R1.3 [Li]c1ccccc1 47286 [0,0,0,0,0,1|3,0,0]=4 219 B7R1.3 c1c(cncn1)Br L14172 [0,0,0,0,0,1|1,0,1]=3 220 B7R1.3 c1c(cncn1)[Zn+] H58089 [0,0,0,0,0,1|1,0,1]=3 221 B7R1.3 c1c[nH]cnc1=O H64690 [0,0,0,0,0,1|2,0,0]=3 222 B7R1.3 c1cc(=O)[nH]nc1 H55334 [0,0,0,0,0,1|3,0,0]=4 223 B7R1.3 c1cc(cnc1)Br A12894 [0,0,0,0,0,1|2,0,0]=3 224 B7R1.3 c1cc(cnc1)Cl B24316 [0,0,0,0,0,1|2,0,0]=3 225 B7R1.3 c1cc(cnc1)F A11693 [0,0,0,0,0,1|2,0,0]=3 226 B7R1.3 c1cc(cnc1)I B23225 [0,0,0,0,0,1|2,0,0]=3 227 B7R1.3 c1cc(cnc1)N A13216 [0,0,0,0,0,1|2,0,0]=3 228 B7R1.3 c1cc(cnc1)O A13910 [0,0,0,0,0,1|2,0,0]=3 229 B7R1.3 c1cc(cnc1)[Zn+] H58498 [0,0,0,0,0,1|2,0,0]=3 230 B7R1.3 c1cc(nnc1)N H64859 [0,0,0,0,0,1|3,0,0]=4 231 B7R1.3 c1ccc(cc1)Br A11407 [0,0,0,0,0,1|3,0,0]=4 232 B7R1.3 c1ccc(cc1)Cl 22921 [0,0,0,0,0,1|3,0,0]=4 233 B7R1.3 c1ccc(cc1)Cl 22922 [0,0,0,0,0,1|3,0,0]=4 234 B7R1.3 c1ccc(cc1)Cl 36401 [0,0,0,0,0,1|3,0,0]=4 235 B7R1.3 c1ccc(cc1)Cl B21052 [0,0,0,0,0,1|3,0,0]=4 236 B7R1.3 c1ccc(cc1)Cl H27688 [0,0,0,0,0,1|3,0,0]=4 237 B7R1.3 c1ccc(cc1)F A14384 [0,0,0,0,0,1|3,0,0]=4 238 B7R1.3 c1ccc(cc1)I A12788 [0,0,0,0,0,1|3,0,0]=4 239 B7R1.3 c1ccc(cc1)N 36238 [0,0,0,0,0,1|3,0,0]=4 240 B7R1.3 c1ccc(cc1)N A13024 [0,0,0,0,0,1|3,0,0]=4 241 B7R1.3 c1ccc(cc1)N A14443 [0,0,0,0,0,1|3,0,0]=4 242 B7R1.3 c1ccc(cc1)N A15563 [0,0,0,0,0,1|3,0,0]=4 243 B7R1.3 c1ccc(cc1)O 33213 [0,0,0,0,0,1|3,0,0]=4 244 B7R1.3 c1ccc(cc1)O 44526 [0,0,0,0,0,1|3,0,0]=4 245 B7R1.3 c1ccc(cc1)O A15760 [0,0,0,0,0,1|3,0,0]=4 246 B7R1.3 c1ccc(cc1)O L19594 [0,0,0,0,0,1|3,0,0]=4 247 B7R1.3 c1ccc(cc1)P 30155 [0,0,0,0,0,1|3,0,0]=4 248 B7R1.3 c1ccc(cc1)S A15916 [0,0,0,0,0,1|3,0,0]=4 249 B7R1.3 c1ccc(cc1)[Hg+] 37113 [0,0,0,0,0,1|3,0,0]=4 250 B7R1.3 c1ccc(cc1)[Hg+] 37125 [0,0,0,0,0,1|3,0,0]=4 251 B7R1.3 c1ccc(cc1)[Mg+] 42859 [0,0,0,0,0,1|3,0,0]=4 252 B7R1.3 c1ccc(cc1)[Mg+] 87326 [0,0,0,0,0,1|3,0,0]=4 253 B7R1.3 c1ccc(cc1)[Mg+] H51157 [0,0,0,0,0,1|3,0,0]=4 254 B7R1.3 c1ccc(cc1)[Mg+] H54729 [0,0,0,0,0,1|3,0,0]=4 255 B7R1.3 c1ccc(cc1)[O-] 51120 [0,0,0,0,0,1|3,0,0]=4 256 B7R1.3 c1ccc(cc1)[O-] B25002 [0,0,0,0,0,1|3,0,0]=4 257 B7R1.3 c1ccc(cc1)[SeH] A12876 [0,0,0,0,0,1|3,0,0]=4 258 B7R1.3 c1ccc(cc1)[SiH3] A17901 [0,0,0,0,0,1|2,1,0]=4 259 B7R1.3 c1ccc(cc1)[Sn+3] 71157 [0,0,0,0,0,1|3,0,0]=4 260 B7R1.3 c1ccc(cc1)[Zn+] H58343 [0,0,0,0,0,1|3,0,0]=4 261 B7R1.3 c1ccc(cc1)[Zn+] H58659 [0,0,0,0,0,1|3,0,0]=4 262 B7R1.3 c1ccnc(c1)Br A13241 [0,0,0,0,0,1|3,0,0]=4 263 B7R1.3 c1ccnc(c1)Cl A14866 [0,0,0,0,0,1|3,0,0]=4 264 B7R1.3 c1ccnc(c1)F A11627 [0,0,0,0,0,1|3,0,0]=4 265 B7R1.3 c1ccnc(c1)I H63062 [0,0,0,0,0,1|3,0,0]=4 266 B7R1.3 c1ccnc(c1)N A12374 [0,0,0,0,0,1|3,0,0]=4 267 B7R1.3 c1ccnc(c1)O A14522 [0,0,0,0,0,1|3,0,0]=4 268 B7R1.3 c1ccnc(c1)S A11741 [0,0,0,0,0,1|3,0,0]=4 269 B7R1.3 c1ccnc(c1)[Zn+] H58544 [0,0,0,0,0,1|3,0,0]=4 270 B7R1.3 c1cnc(cn1)Cl A10108 [0,0,0,0,0,1|2,0,0]=3 271 B7R1.3 c1cnc(cn1)I H26244 [0,0,0,0,0,1|2,0,0]=3 272 B7R1.3 c1cnc(cn1)N A13052 [0,0,0,0,0,1|2,0,0]=3 273 B7R1.3 c1cnc[nH]c1=O A10859 [0,0,0,0,0,1|2,0,0]=3 274 B7R1.3 c1cnccc1Br L07052 [0,0,0,0,0,1|2,0,0]=3 275 B7R1.3 c1cnccc1Cl A15628 [0,0,0,0,0,1|2,0,0]=3 276 B7R1.3 c1cnccc1I B25459 [0,0,0,0,0,1|2,0,0]=3 277 B7R1.3 c1cnccc1N A12405 [0,0,0,0,0,1|2,0,0]=3 278 B7R1.3 c1cnccc1O A14586 [0,0,0,0,0,1|2,0,0]=3 279 B7R1.3 c1cncnc1N H27367 [0,0,0,0,0,1|2,0,0]=3 280 B4R0.1 C(=N)(N)NN A19710 [1,0,1,0,0,0|2,0,0]=4 281 B4R0.1 C(=N)(N)NN B24696 [1,0,1,0,0,0|2,0,0]=4 282 B4R0.1 C(=N)(N)NN L11632 [1,0,1,0,0,0|2,0,0]=4 283 B4R0.1 C=CC(=O)N 36545 [1,0,1,0,0,0|2,0,0]=4 284 B4R0.1 C=CC(=O)N A15940 [1,0,1,0,0,0|2,0,0]=4 285 B4R0.1 C=CC(=O)N A17157 [1,0,1,0,0,0|2,0,0]=4 286 B4R0.1 C=CC(=O)N L15075 [1,0,1,0,0,0|2,0,0]=4 287 B4R0.1 CC(=C)C#C L06111 [1,0,1,0,0,0|1,0,1]=4 288 B4R0.1 CC(=C)C=C L14619 [1,0,1,0,0,0|1,0,0]=3 289 B4R0.1 CC(=C)C=O 43124 [1,0,1,0,0,0|1,0,0]=3 290 B4R0.1 CC(=C)CCl B22674 [1,0,1,0,0,0|1,0,1]=4 291 B4R0.1 CC(=C)CO H60502 [1,0,1,0,0,0|1,0,1]=4 292 B4R0.1 CC(=C)OC B24083 [1,0,1,0,0,0|2,0,0]=4 293 B4R0.1 CC(=NO)C A10802 [1,0,1,0,0,0|1,0,1]=4 294 B4R0.1 CC(=O)C=C A11910 [1,0,1,0,0,0|2,0,0]=4 295 B4R0.1 CC(=O)C=O B24664 [1,0,1,0,0,0|2,0,0]=4 296 B4R0.1 CC(=O)NBr L02953 [1,0,1,0,0,0|2,0,0]=4 297 B4R0.1 CC(=O)NC A17928 [1,0,1,0,0,0|2,0,0]=4 298 B4R0.1 CC(=O)NN A10969 [1,0,1,0,0,0|1,0,1]=4 299 B4R0.1 CC(=O)NO L01569 [1,0,1,0,0,0|2,0,0]=4 300 B4R0.1 CC=C(C)C 31853 [1,0,1,0,0,0|1,0,1]=4 301 B4R0.1 CCC(=C)C H27230 [1,0,1,0,0,0|1,0,1]=4 302 B4R0.1 C\C=C(\C)/Br A18058 [1,0,1,0,0,0|2,0,0]=4 303 B4R0.2 C=CCCN L20157 [1,0,1,0,0,0|1,0,1]=4 304 B4R0.2 C=C[Sn+2]C=C 39613 [1,0,1,0,0,0|2,0,0]=4 305 B4R0.2 CC\C=C\C A17736 [1,0,1,0,0,0|1,0,1]=4 306 B4R0.2 CC\C=C\C L09421 [1,0,1,0,0,0|1,0,1]=4 307 B4R0.2 CNCC=C H27551 [1,0,1,0,0,0|1,0,1]=4 308 B4R0.2 C\C=C\C=O L03362 [1,0,1,0,0,0|2,0,0]=4 309 B4R0.2 C\C=C\CO A10681 [1,0,1,0,0,0|2,0,0]=4 310 B4R0.2 C\C=C\C[Mg+] H51171 [1,0,1,0,0,0|2,0,0]=4 311 B6R0.1 CC\C=C(/C)\C=O A15729 [0,1,1,0,0,0|2,0,0]=4 312 B6R0.2 CC(=CC(=C)C)C H35300 [0,1,1,0,0,0|2,0,0]=4 313 B6R0.2 C\C(=C\C(=O)C)\N L08379 [0,1,1,0,0,0|2,0,0]=4 314 B6R0.3 CC(=C)C(=O)OC A13030 [0,1,1,0,0,0|2,0,0]=4 315 B6R0.3 C\C(=N/O)\C(=O)C A14339 [0,1,1,0,0,0|2,0,0]=4 316 B6R0.6 C\C=C\C=C\C=O A13200 [0,1,1,0,0,0|2,0,0]=4 317 B8R1.2 C#Cc1cccnc1 H53465 [0,1,0,0,0,1|1,0,1]=4 318 B8R1.2 C#Cc1ccncc1 H53455 [0,1,0,0,0,1|1,0,1]=4 319 B8R1.2 C=Cc1ccncc1 H36621 [0,1,0,0,0,1|1,0,1]=4 320 B8R1.2 C=Cc1ccncc1 L13316 [0,1,0,0,0,1|1,0,1]=4 321 B8R1.2 C=Cc1cnccn1 A14007 [0,1,0,0,0,1|1,0,1]=4 322 B8R1.2 CCc1ccccc1 L05908 [0,1,0,0,0,1|2,0,0]=4 323 B8R1.2 CCc1ccccn1 A17352 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.2 CCc1cccnc1 B20318 [0,1,0,0,0,1|1,0,0]=3 325 B8R1.2 CCc1ccncc1 A12883 [0,1,0,0,0,1|1,0,0]=3 326 B8R1.2 CCc1cnccn1 A12759 [0,1,0,0,0,1|1,0,0]=3 327 B8R1.2 CNc1ccccc1 L13873 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.2 CNc1ccccn1 B23589 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.2 CNc1cccnc1 H63602 [0,1,0,0,0,1|1,0,0]=3 330 B8R1.2 CNc1ccncc1 L19626 [0,1,0,0,0,1|1,0,0]=3 331 B8R1.2 COc1ccccc1 A12997 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.2 COc1ccccn1 A13675 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.2 COc1ccncc1 L19625 [0,1,0,0,0,1|1,0,0]=3 334 B8R1.2 COc1cnccn1 A10297 [0,1,0,0,0,1|1,0,0]=3 335 B8R1.2 CSc1ccccc1 A14846 [0,1,0,0,0,1|2,0,0]=4 336 B8R1.2 CSc1cnccn1 B25279 [0,1,0,0,0,1|1,0,0]=3 337 B8R1.2 C[NH2+]c1ccccc1 A17781 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.2 c1c(cncn1)C=O H54448 [0,1,0,0,0,1|0,0,2]=4 339 B8R1.2 c1cc(cnc1)C#N A14850 [0,1,0,0,0,1|1,0,1]=4 340 B8R1.2 c1cc(cnc1)C=O A14607 [0,1,0,0,0,1|1,0,1]=4 341 B8R1.2 c1cc(cnc1)CCl A13279 [0,1,0,0,0,1|1,0,0]=3 342 B8R1.2 c1cc(cnc1)CN B23634 [0,1,0,0,0,1|1,0,0]=3 343 B8R1.2 c1cc(cnc1)CO A10381 [0,1,0,0,0,1|1,0,0]=3 344 B8R1.2 c1ccc(cc1)CBr A13535 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.2 c1ccc(cc1)CCl A12481 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.2 c1ccc(cc1)CN A10997 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.2 c1ccc(cc1)CN L04102 [0,1,0,0,0,1|2,0,0]=4 348 B8R1.2 c1ccc(cc1)CN L19471 [0,1,0,0,0,1|2,0,0]=4 349 B8R1.2 c1ccc(cc1)CO 41218 [0,1,0,0,0,1|2,0,0]=4 350 B8R1.2 c1ccc(cc1)CO L03292 [0,1,0,0,0,1|2,0,0]=4 351 B8R1.2 c1ccc(cc1)CO L19592 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.2 c1ccc(cc1)CS 44466 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.2 c1ccc(cc1)CS B20081 [0,1,0,0,0,1|2,0,0]=4 354 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [0,1,0,0,0,1|2,0,0]=4 355 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.2 c1ccnc(c1)CCl A10226 [0,1,0,0,0,1|2,0,0]=4 358 B8R1.2 c1ccnc(c1)CN B23208 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.2 c1ccnc(c1)CO A15005 [0,1,0,0,0,1|2,0,0]=4 360 B8R1.2 c1cnc(cn1)C#N A10974 [0,1,0,0,0,1|1,0,1]=4 361 B8R1.2 c1cnc(cn1)NN H64086 [0,1,0,0,0,1|2,0,0]=4 362 B8R1.2 c1cnccc1C#N A10286 [0,1,0,0,0,1|1,0,1]=4 363 B8R1.2 c1cnccc1C=O A10656 [0,1,0,0,0,1|1,0,1]=4 364 B8R1.2 c1cnccc1CCl A12859 [0,1,0,0,0,1|1,0,0]=3 365 B8R1.2 c1cnccc1CN L06345 [0,1,0,0,0,1|1,0,0]=3 366 B8R1.2 c1cnccc1CO A14698 [0,1,0,0,0,1|1,0,0]=3 367 B8R1.2 c1cncnc1CN H32582 [0,1,0,0,0,1|1,0,0]=3 368 B8R1.2 c1cncnc1CO H31754 [0,1,0,0,0,1|1,0,0]=3 369 B8R1.3 Cc1cc[n+](cc1)[O-] A17330 [0,1,0,0,0,1|1,0,1]=4 370 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.3 Cc1ccc(cc1)Br A15843 [0,1,0,0,0,1|2,0,0]=4 372 B8R1.3 Cc1ccc(cc1)C A10534 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.3 Cc1ccc(cc1)Cl L04672 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.3 Cc1ccc(cc1)F A10365 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.3 Cc1ccc(cc1)I A15631 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.3 Cc1ccc(cc1)N A13698 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.3 Cc1ccc(cc1)O A13531 [0,1,0,0,0,1|2,0,0]=4 378 B8R1.3 Cc1ccc(cc1)S B24970 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.3 Cc1ccc(cc1)[S-] H55095 [0,1,0,0,0,1|2,0,0]=4 380 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [0,1,0,0,0,1|2,0,0]=4 381 B8R1.3 Cc1ccc(cn1)Br H27085 [0,1,0,0,0,1|2,0,0]=4 382 B8R1.3 Cc1ccc(cn1)N H27431 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.3 Cc1ccc(cn1)O B25014 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [0,1,0,0,0,1|2,0,0]=4 385 B8R1.3 Cc1ccc(nc1)Br B25083 [0,1,0,0,0,1|1,0,0]=3 386 B8R1.3 Cc1ccc(nc1)Cl H59145 [0,1,0,0,0,1|1,0,0]=3 387 B8R1.3 Cc1ccc(nc1)F L12241 [0,1,0,0,0,1|1,0,0]=3 388 B8R1.3 Cc1ccc(nc1)N A13330 [0,1,0,0,0,1|1,0,0]=3 389 B8R1.3 Cc1ccc(nc1)O L19528 [0,1,0,0,0,1|1,0,0]=3 390 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [0,1,0,0,0,1|1,0,0]=3 391 B8R1.3 Cc1ccc(nn1)Cl A13480 [0,1,0,0,0,1|2,0,0]=4 392 B8R1.3 Cc1cnc(cn1)C A12352 [0,1,0,0,0,1|1,0,0]=3 393 B8R1.3 Cc1cnc(cn1)N H61286 [0,1,0,0,0,1|1,0,0]=3 394 B8R1.3 Cc1cnc(nc1)Br H66877 [0,1,0,0,0,1|0,0,1]=3 395 B8R1.3 Cc1cnc(nc1)Cl H64773 [0,1,0,0,0,1|0,0,1]=3 396 B8R1.3 Cc1ncc(cn1)Br H66467 [0,1,0,0,0,1|1,0,1]=4 397 B8R1.3 c1c(cnc(n1)Cl)Br L18360 [0,1,0,0,0,1|1,0,1]=4 398 B8R1.3 c1c(cnc(n1)Cl)Cl H64066 [0,1,0,0,0,1|1,0,1]=4 399 B8R1.3 c1c(cnc(n1)Cl)F H55055 [0,1,0,0,0,1|1,0,1]=4 400 B8R1.3 c1c(cnc(n1)Cl)I H63423 [0,1,0,0,0,1|1,0,1]=4 401 B8R1.3 c1c(cnc(n1)F)Br H27795 [0,1,0,0,0,1|1,0,1]=4 402 B8R1.3 c1c(cnc(n1)I)Br L17453 [0,1,0,0,0,1|1,0,1]=4 403 B8R1.3 c1c(cnc(n1)I)Cl H64185 [0,1,0,0,0,1|1,0,1]=4 404 B8R1.3 c1c(cnc(n1)N)Br H27291 [0,1,0,0,0,1|1,0,1]=4 405 B8R1.3 c1c(cnc(n1)N)Cl L19248 [0,1,0,0,0,1|1,0,1]=4 406 B8R1.3 c1c(cnc(n1)N)I B22705 [0,1,0,0,0,1|1,0,1]=4 407 B8R1.3 c1c(cnc(n1)O)Br L18347 [0,1,0,0,0,1|1,0,1]=4 408 B8R1.3 c1c(ncc(n1)Br)N H27465 [0,1,0,0,0,1|2,0,0]=4 409 B8R1.3 c1c(ncc(n1)Cl)N H66509 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.3 c1cc(ncc1Br)Br A10937 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.3 c1cc(ncc1Br)Cl B24862 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.3 c1cc(ncc1Br)F L19537 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.3 c1cc(ncc1Br)I L19610 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.3 c1cc(ncc1Br)N A14280 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.3 c1cc(ncc1Br)O B25267 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.3 c1cc(ncc1Cl)Br H64367 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.3 c1cc(ncc1Cl)Cl A15442 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.3 c1cc(ncc1Cl)F H26945 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.3 c1cc(ncc1Cl)I H64339 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.3 c1cc(ncc1Cl)N A12063 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.3 c1cc(ncc1Cl)O A11914 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.3 c1cc(ncc1F)Br L19536 [0,1,0,0,0,1|2,0,0]=4 423 B8R1.3 c1cc(ncc1F)Cl H27462 [0,1,0,0,0,1|2,0,0]=4 424 B8R1.3 c1cc(ncc1F)F H31130 [0,1,0,0,0,1|2,0,0]=4 425 B8R1.3 c1cc(ncc1F)N L20010 [0,1,0,0,0,1|2,0,0]=4 426 B8R1.3 c1cc(ncc1I)Br L20016 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.3 c1cc(ncc1I)Cl B25271 [0,1,0,0,0,1|2,0,0]=4 428 B8R1.3 c1cc(ncc1I)F L20041 [0,1,0,0,0,1|2,0,0]=4 429 B8R1.3 c1cc(ncc1I)I L20118 [0,1,0,0,0,1|2,0,0]=4 430 B8R1.3 c1cc(ncc1I)N B25175 [0,1,0,0,0,1|2,0,0]=4 431 B8R1.3 c1cc(ncc1I)O L20044 [0,1,0,0,0,1|2,0,0]=4 432 B8R1.3 c1cc(ncc1N)Br L20008 [0,1,0,0,0,1|2,0,0]=4 433 B8R1.3 c1cc(ncc1N)Cl B25336 [0,1,0,0,0,1|2,0,0]=4 434 B8R1.3 c1cc(ncc1N)F H30872 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.3 c1cc(ncc1N)I H27793 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.3 c1cc(ncc1N)N L05599 [0,1,0,0,0,1|2,0,0]=4 437 B8R1.3 c1cc(ncc1N)O H27961 [0,1,0,0,0,1|2,0,0]=4 438 B8R1.3 c1cc(ncc1O)Br H27228 [0,1,0,0,0,1|2,0,0]=4 439 B8R1.3 c1cc(ncc1O)Cl L17701 [0,1,0,0,0,1|2,0,0]=4 440 B8R1.3 c1cc(ncc1O)F H27741 [0,1,0,0,0,1|2,0,0]=4 441 B8R1.3 c1cc(ncc1[Zn+])Cl H58537 [0,1,0,0,0,1|2,0,0]=4 442 B8R1.4 Cc1cc(ccn1)Br H27884 [0,1,0,0,0,1|2,0,0]=4 443 B8R1.4 Cc1cc(ccn1)Cl B24719 [0,1,0,0,0,1|2,0,0]=4 444 B8R1.4 Cc1cc(ccn1)Cl H64093 [0,1,0,0,0,1|2,0,0]=4 445 B8R1.4 Cc1cc(ccn1)F H64284 [0,1,0,0,0,1|2,0,0]=4 446 B8R1.4 Cc1cc(ccn1)N H55036 [0,1,0,0,0,1|2,0,0]=4 447 B8R1.4 Cc1cc(cnc1)Br H30137 [0,1,0,0,0,1|1,0,0]=3 448 B8R1.4 Cc1cc(cnc1)C A14877 [0,1,0,0,0,1|1,0,0]=3 449 B8R1.4 Cc1cc(cnc1)O H32658 [0,1,0,0,0,1|1,0,0]=3 450 B8R1.4 Cc1cc(ncn1)C A10302 [0,1,0,0,0,1|1,0,0]=3 451 B8R1.4 Cc1cc(ncn1)Cl H64667 [0,1,0,0,0,1|1,0,0]=3 452 B8R1.4 Cc1cc(ncn1)N H66832 [0,1,0,0,0,1|1,0,0]=3 453 B8R1.4 Cc1cc(ncn1)O H61404 [0,1,0,0,0,1|1,0,0]=3 454 B8R1.4 Cc1ccc[n+](c1)[O-] A12578 [0,1,0,0,0,1|1,0,1]=4 455 B8R1.4 Cc1cccc(c1)Br A13990 [0,1,0,0,0,1|2,0,0]=4 456 B8R1.4 Cc1cccc(c1)C L03788 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.4 Cc1cccc(c1)Cl A16991 [0,1,0,0,0,1|2,0,0]=4 458 B8R1.4 Cc1cccc(c1)F A16107 [0,1,0,0,0,1|2,0,0]=4 459 B8R1.4 Cc1cccc(c1)I A10999 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.4 Cc1cccc(c1)N A14058 [0,1,0,0,0,1|2,0,0]=4 461 B8R1.4 Cc1cccc(c1)O A10733 [0,1,0,0,0,1|2,0,0]=4 462 B8R1.4 Cc1cccc(c1)S B23818 [0,1,0,0,0,1|2,0,0]=4 463 B8R1.4 Cc1cccc(c1)[Zn+] H58431 [0,1,0,0,0,1|2,0,0]=4 464 B8R1.4 Cc1cccc(n1)Br L20018 [0,1,0,0,0,1|2,0,0]=4 465 B8R1.4 Cc1cccc(n1)C A10478 [0,1,0,0,0,1|2,0,0]=4 466 B8R1.4 Cc1cccc(n1)Cl B20174 [0,1,0,0,0,1|2,0,0]=4 467 B8R1.4 Cc1cccc(n1)F L01561 [0,1,0,0,0,1|2,0,0]=4 468 B8R1.4 Cc1cccc(n1)N A10444 [0,1,0,0,0,1|2,0,0]=4 469 B8R1.4 Cc1cccc(n1)O A14764 [0,1,0,0,0,1|2,0,0]=4 470 B8R1.4 Cc1cccc(n1)[Zn+] H58354 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.4 Cc1ccnc(c1)Br B25253 [0,1,0,0,0,1|1,0,0]=3 472 B8R1.4 Cc1ccnc(c1)C B22913 [0,1,0,0,0,1|1,0,0]=3 473 B8R1.4 Cc1ccnc(c1)Cl H60607 [0,1,0,0,0,1|1,0,0]=3 474 B8R1.4 Cc1ccnc(c1)F L01602 [0,1,0,0,0,1|1,0,0]=3 475 B8R1.4 Cc1ccnc(c1)N A14177 [0,1,0,0,0,1|1,0,0]=3 476 B8R1.4 Cc1ccnc(c1)O L16188 [0,1,0,0,0,1|1,0,0]=3 477 B8R1.4 Cc1ccnc(n1)Br H54503 [0,1,0,0,0,1|1,0,0]=3 478 B8R1.4 Cc1ccnc(n1)Cl H31903 [0,1,0,0,0,1|1,0,0]=3 479 B8R1.4 Cc1ccnc(n1)N A16081 [0,1,0,0,0,1|1,0,0]=3 480 B8R1.4 Cc1ccnc(n1)O B22255 [0,1,0,0,0,1|1,0,0]=3 481 B8R1.4 Cc1ccnc(n1)S A13145 [0,1,0,0,0,1|1,0,0]=3 482 B8R1.4 Cc1cncc(n1)C B24687 [0,1,0,0,0,1|1,0,0]=3 483 B8R1.4 Cc1cncc(n1)Cl H63650 [0,1,0,0,0,1|1,0,0]=3 484 B8R1.4 Cc1cncc(n1)N H63436 [0,1,0,0,0,1|1,0,0]=3 485 B8R1.4 c1c(=O)[nH]c(=O)[nH]n1 A14389 [0,1,0,0,0,1|1,0,0]=3 486 B8R1.4 c1c(cncc1Br)Br A10875 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.4 c1c(cncc1Br)Cl H27454 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.4 c1c(cncc1Br)F H25766 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.4 c1c(cncc1Br)N H56566 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.4 c1c(cncc1Br)O H27256 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.4 c1c(cncc1Cl)Cl L03380 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.4 c1c(cncc1Cl)F H30170 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.4 c1c(cncc1Cl)N H31833 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.4 c1c(cncc1Cl)O L07568 [0,1,0,0,0,1|2,0,0]=4 495 B8R1.4 c1c(cncc1F)F L19539 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.4 c1c(cncc1F)N H34111 [0,1,0,0,0,1|2,0,0]=4 497 B8R1.4 c1c(cncc1F)O H32683 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.4 c1c(cncc1I)Br H64007 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.4 c1c(cncc1I)F H64770 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.4 c1c(nc(cn1)Br)Br H61468 [0,1,0,0,0,1|2,0,0]=4 501 B8R1.4 c1c(nc(cn1)Cl)Cl A11175 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.4 c1c(nc(cn1)Cl)N H61934 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.4 c1c(ncnc1Br)Br H27254 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.4 c1c(ncnc1Cl)Cl L13212 [0,1,0,0,0,1|2,0,0]=4 505 B8R1.4 c1c(ncnc1Cl)N H50551 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.4 c1c(ncnc1O)N L03825 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.4 c1c(ncnc1O)O A15688 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.4 c1c[nH]c(=O)[nH]c1=O A15570 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.4 c1c[nH]c(=O)[nH]c1=S H61919 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.4 c1c[nH]c(=O)nc1N A14731 [0,1,0,0,0,1|2,0,0]=4 511 B8R1.4 c1c[nH]c(=S)[nH]c1=O A18119 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.4 c1cnc([nH]c1=O)N H54228 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.4 c1cnc(cc1Br)Br L20038 [0,1,0,0,0,1|2,0,0]=4 514 B8R1.4 c1cnc(cc1Br)Cl H27299 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.4 c1cnc(cc1Br)F H27657 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.4 c1cnc(cc1Br)N H31500 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.4 c1cnc(cc1Br)O H32067 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.4 c1cnc(cc1Cl)Br H33698 [0,1,0,0,0,1|2,0,0]=4 519 B8R1.4 c1cnc(cc1Cl)Cl L20040 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.4 c1cnc(cc1Cl)F H64557 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.4 c1cnc(cc1Cl)N H59130 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.4 c1cnc(cc1Cl)O H29250 [0,1,0,0,0,1|2,0,0]=4 523 B8R1.4 c1cnc(cc1F)Br H64785 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.4 c1cnc(cc1F)Cl L20023 [0,1,0,0,0,1|2,0,0]=4 525 B8R1.4 c1cnc(cc1F)F H32124 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.4 c1cnc(cc1F)N H64233 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.4 c1cnc(cc1I)Br L20015 [0,1,0,0,0,1|2,0,0]=4 528 B8R1.4 c1cnc(cc1I)Cl L19623 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.4 c1cnc(cc1I)F H27517 [0,1,0,0,0,1|2,0,0]=4 530 B8R1.4 c1cnc(cc1N)Br L20007 [0,1,0,0,0,1|2,0,0]=4 531 B8R1.4 c1cnc(cc1N)Cl B22098 [0,1,0,0,0,1|2,0,0]=4 532 B8R1.4 c1cnc(cc1O)Cl H27549 [0,1,0,0,0,1|2,0,0]=4 533 B8R1.4 c1cnc(cc1O)F H31697 [0,1,0,0,0,1|2,0,0]=4 534 B8R1.4 c1cnc(cc1O)N H64836 [0,1,0,0,0,1|2,0,0]=4 535 B8R1.4 c1cnc(cc1O)O A13566 [0,1,0,0,0,1|2,0,0]=4 536 B8R1.4 c1cnc(nc1Br)Br H27433 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.4 c1cnc(nc1Br)Cl H64753 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.4 c1cnc(nc1Br)N H64358 [0,1,0,0,0,1|2,0,0]=4 539 B8R1.4 c1cnc(nc1Cl)Cl A15131 [0,1,0,0,0,1|2,0,0]=4 540 B8R1.4 c1cnc(nc1Cl)N H55007 [0,1,0,0,0,1|2,0,0]=4 541 B8R1.4 c1cnc(nc1N)Cl H55875 [0,1,0,0,0,1|2,0,0]=4 542 B8R1.5 BN1=C(C=CC=C1)C H66642 [0,1,0,0,0,1|2,0,0]=4 543 B8R1.5 Cc1c(cccn1)Br H27271 [0,1,0,0,0,1|2,0,0]=4 544 B8R1.5 Cc1c(cccn1)F H64705 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.5 Cc1c(cccn1)N H27540 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.5 Cc1c(cccn1)O B24944 [0,1,0,0,0,1|2,0,0]=4 547 B8R1.5 Cc1c(nccn1)C A12628 [0,1,0,0,0,1|1,0,0]=3 548 B8R1.5 Cc1c(nccn1)Cl H61651 [0,1,0,0,0,1|1,0,0]=3 549 B8R1.5 Cc1c(nccn1)N H61255 [0,1,0,0,0,1|1,0,0]=3 550 B8R1.5 Cc1c(nccn1)O H51880 [0,1,0,0,0,1|1,0,0]=3 551 B8R1.5 Cc1ccc[nH]c1=O A12700 [0,1,0,0,0,1|1,0,0]=3 552 B8R1.5 Cc1cccc[n+]1[O-] L04488 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.5 Cc1ccccc1Br A12315 [0,1,0,0,0,1|2,0,0]=4 554 B8R1.5 Cc1ccccc1C 22902 [0,1,0,0,0,1|2,0,0]=4 555 B8R1.5 Cc1ccccc1C 32471 [0,1,0,0,0,1|2,0,0]=4 556 B8R1.5 Cc1ccccc1C A11358 [0,1,0,0,0,1|2,0,0]=4 557 B8R1.5 Cc1ccccc1Cl B23596 [0,1,0,0,0,1|2,0,0]=4 558 B8R1.5 Cc1ccccc1F A16912 [0,1,0,0,0,1|2,0,0]=4 559 B8R1.5 Cc1ccccc1I B22697 [0,1,0,0,0,1|2,0,0]=4 560 B8R1.5 Cc1ccccc1N A13602 [0,1,0,0,0,1|2,0,0]=4 561 B8R1.5 Cc1ccccc1O A12307 [0,1,0,0,0,1|2,0,0]=4 562 B8R1.5 Cc1ccccc1S B22460 [0,1,0,0,0,1|2,0,0]=4 563 B8R1.5 Cc1ccccc1[O-] 89454 [0,1,0,0,0,1|2,0,0]=4 564 B8R1.5 Cc1ccccc1[Zn+] H58749 [0,1,0,0,0,1|2,0,0]=4 565 B8R1.5 Cc1cccnc1Br L19522 [0,1,0,0,0,1|1,0,0]=3 566 B8R1.5 Cc1cccnc1C L03697 [0,1,0,0,0,1|1,0,0]=3 567 B8R1.5 Cc1cccnc1Cl L19861 [0,1,0,0,0,1|1,0,0]=3 568 B8R1.5 Cc1cccnc1F L10701 [0,1,0,0,0,1|1,0,0]=3 569 B8R1.5 Cc1cccnc1I L20047 [0,1,0,0,0,1|1,0,0]=3 570 B8R1.5 Cc1cccnc1N A10224 [0,1,0,0,0,1|1,0,0]=3 571 B8R1.5 Cc1ccncc1Br L19622 [0,1,0,0,0,1|1,0,0]=3 572 B8R1.5 Cc1ccncc1C L03489 [0,1,0,0,0,1|1,0,0]=3 573 B8R1.5 Cc1ccncc1Cl H61626 [0,1,0,0,0,1|1,0,0]=3 574 B8R1.5 Cc1ccncc1F H64747 [0,1,0,0,0,1|1,0,0]=3 575 B8R1.5 Cc1ccncc1N L19730 [0,1,0,0,0,1|1,0,0]=3 576 B8R1.5 Cc1cnccc1Cl L19558 [0,1,0,0,0,1|1,0,0]=3 577 B8R1.5 Cc1cnccc1O H32265 [0,1,0,0,0,1|1,0,0]=3 578 B8R1.5 c1c(c(=O)nc[nH]1)Br H35395 [0,1,0,0,0,1|1,0,0]=3 579 B8R1.5 c1c(c(ncn1)Br)F H33994 [0,1,0,0,0,1|1,0,1]=4 580 B8R1.5 c1c(c(ncn1)Cl)N H66671 [0,1,0,0,0,1|1,0,1]=4 581 B8R1.5 c1c(c(ncn1)N)Br H64335 [0,1,0,0,0,1|1,0,1]=4 582 B8R1.5 c1c(c(ncn1)O)I H61190 [0,1,0,0,0,1|1,0,1]=4 583 B8R1.5 c1cc(c(nc1)Br)Br L19527 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.5 c1cc(c(nc1)Br)Cl L20012 [0,1,0,0,0,1|2,0,0]=4 585 B8R1.5 c1cc(c(nc1)Br)F H31981 [0,1,0,0,0,1|2,0,0]=4 586 B8R1.5 c1cc(c(nc1)Br)N L19839 [0,1,0,0,0,1|2,0,0]=4 587 B8R1.5 c1cc(c(nc1)Br)O A12687 [0,1,0,0,0,1|2,0,0]=4 588 B8R1.5 c1cc(c(nc1)Cl)Br B25206 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.5 c1cc(c(nc1)Cl)Cl A12241 [0,1,0,0,0,1|2,0,0]=4 590 B8R1.5 c1cc(c(nc1)Cl)F L20022 [0,1,0,0,0,1|2,0,0]=4 591 B8R1.5 c1cc(c(nc1)Cl)I L20028 [0,1,0,0,0,1|2,0,0]=4 592 B8R1.5 c1cc(c(nc1)Cl)N A15830 [0,1,0,0,0,1|2,0,0]=4 593 B8R1.5 c1cc(c(nc1)Cl)O A11376 [0,1,0,0,0,1|2,0,0]=4 594 B8R1.5 c1cc(c(nc1)F)Br H27208 [0,1,0,0,0,1|2,0,0]=4 595 B8R1.5 c1cc(c(nc1)F)Cl H27755 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.5 c1cc(c(nc1)F)F H25771 [0,1,0,0,0,1|2,0,0]=4 597 B8R1.5 c1cc(c(nc1)F)I H50146 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.5 c1cc(c(nc1)F)O H32862 [0,1,0,0,0,1|2,0,0]=4 599 B8R1.5 c1cc(c(nc1)I)O L08667 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.5 c1cc(c(nc1)N)Br L20006 [0,1,0,0,0,1|2,0,0]=4 601 B8R1.5 c1cc(c(nc1)N)Cl H30166 [0,1,0,0,0,1|2,0,0]=4 602 B8R1.5 c1cc(c(nc1)N)F H31970 [0,1,0,0,0,1|2,0,0]=4 603 B8R1.5 c1cc(c(nc1)N)I H50001 [0,1,0,0,0,1|2,0,0]=4 604 B8R1.5 c1cc(c(nc1)N)N A14618 [0,1,0,0,0,1|2,0,0]=4 605 B8R1.5 c1cc(c(nc1)N)O A10665 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.5 c1cc(c(nc1)O)Br L20014 [0,1,0,0,0,1|2,0,0]=4 607 B8R1.5 c1cc(c(nc1)O)Cl L20027 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.5 c1cc(c(nc1)O)F H31705 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.5 c1cc(c(nc1)O)N H64480 [0,1,0,0,0,1|2,0,0]=4 610 B8R1.5 c1cc(c(nc1)O)O L07104 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.5 c1cnc(c(n1)Cl)Cl L11500 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.5 c1cnc(c(n1)N)Cl H27215 [0,1,0,0,0,1|2,0,0]=4 613 B8R1.5 c1cncc(c1Cl)Cl H63749 [0,1,0,0,0,1|2,0,0]=4 614 B8R1.5 c1cncc(c1Cl)F H27184 [0,1,0,0,0,1|2,0,0]=4 615 B8R1.5 c1cncc(c1Cl)N L19726 [0,1,0,0,0,1|2,0,0]=4 616 B8R1.5 c1cncc(c1I)Br H34203 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.5 c1cncc(c1I)Cl H63866 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.5 c1cncc(c1I)F H50068 [0,1,0,0,0,1|2,0,0]=4 619 B8R1.5 c1cncc(c1I)N H50023 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.5 c1cncc(c1N)Br L19521 [0,1,0,0,0,1|2,0,0]=4 621 B8R1.5 c1cncc(c1N)Cl H31093 [0,1,0,0,0,1|2,0,0]=4 622 B8R1.5 c1cncc(c1N)F H32949 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.5 c1cncc(c1N)I H50027 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.5 c1cncc(c1N)N A12465 [0,1,0,0,0,1|2,0,0]=4 625 B8R1.5 c1cncc(c1N)O H35280 [0,1,0,0,0,1|2,0,0]=4 626 B8R1.5 c1cncc(c1O)Br H33754 [0,1,0,0,0,1|2,0,0]=4 627 B8R1.5 c1cncc(c1O)Cl H64783 [0,1,0,0,0,1|2,0,0]=4 628 B8R1.5 c1cncc(c1O)N H27205 [0,1,0,0,0,1|2,0,0]=4 629 B8R1.1 CCc1[nH]cc(n1)C A15798 [0,2,0,0,0,0|2,0,0]=4 630 B8R1.1 CCc1cc(n[nH]1)N H50782 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.1 CCc1cc(n[nH]1)N H51026 [0,2,0,0,0,0|2,0,0]=4 632 B8R1.1 CCn1cc[n+](c1)C H26901 [0,2,0,0,0,0|2,0,0]=4 633 B8R1.1 CCn1cc[n+](c1)C H26913 [0,2,0,0,0,0|2,0,0]=4 634 B8R1.1 CCn1cc[n+](c1)C H27232 [0,2,0,0,0,0|2,0,0]=4 635 B8R1.1 CCn1cc[n+](c1)C H27571 [0,2,0,0,0,0|2,0,0]=4 636 B8R1.1 CCn1cc[n+](c1)C H27651 [0,2,0,0,0,0|2,0,0]=4 637 B8R1.1 CCn1cc[n+](c1)C H59277 [0,2,0,0,0,0|2,0,0]=4 638 B8R1.1 CCn1cc[n+](c1)C H59404 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.1 CCn1cc[n+](c1)C H59448 [0,2,0,0,0,0|2,0,0]=4 640 B8R1.1 CCn1cc[n+](c1)C H59480 [0,2,0,0,0,0|2,0,0]=4 641 B8R1.1 CCn1cc[n+](c1)C H59493 [0,2,0,0,0,0|2,0,0]=4 642 B8R1.1 CCn1cc[n+](c1)C L19761 [0,2,0,0,0,0|2,0,0]=4 643 B8R1.1 CCn1cc[n+](c1)C L19762 [0,2,0,0,0,0|2,0,0]=4 644 B8R1.1 CCn1cc[n+](c1)C L19763 [0,2,0,0,0,0|2,0,0]=4 645 B8R1.1 CCn1cc[n+](c1)C L19764 [0,2,0,0,0,0|2,0,0]=4 646 B8R1.1 COC1=CC(=O)NC1 L19344 [0,2,0,0,0,0|1,0,1]=4 647 B8R1.1 Cc1cc(no1)C#N H61553 [0,2,0,0,0,0|2,0,0]=4 648 B8R1.1 Cc1cc(no1)CO H61948 [0,2,0,0,0,0|2,0,0]=4 649 B8R1.1 Cc1cc(on1)CO H63114 [0,2,0,0,0,0|2,0,0]=4 650 B8R1.1 Cn1cc(cn1)C=O H54146 [0,2,0,0,0,0|0,0,1]=3 651 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [0,2,0,0,0,0|1,0,0]=3 653 B8R1.7 CC(=O)c1ccoc1 H34071 [0,2,0,0,0,0|2,0,0]=4 654 B8R1.7 CC(=O)c1ccsc1 A11078 [0,2,0,0,0,0|2,0,0]=4 655 B8R1.7 CC(=O)n1ccnc1 L00137 [0,2,0,0,0,0|2,0,0]=4 656 B8R1.7 CC(C1=CCC=C1)O L19681 [0,2,0,0,0,0|2,0,0]=4 657 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [0,2,0,0,0,0|2,0,0]=4 658 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [0,2,0,0,0,0|2,0,0]=4 659 B8R1.7 c1c(cn[nH]1)C(=O)O H25783 [0,2,0,0,0,0|0,0,1]=3 660 B8R1.7 c1c(cn[nH]1)[N+](=O)[O-] H27084 [0,2,0,0,0,0|1,0,0]=3 661 B8R1.7 c1c[nH]cc1C(=O)O H55383 [0,2,0,0,0,0|1,0,1]=4 662 B8R1.8 C=CCn1ccnc1 L11053 [0,2,0,0,0,0|2,0,0]=4 663 B8R1.8 c1c(nc[nH]1)CC#N H32992 [0,2,0,0,0,0|2,0,0]=4 664 B8R1.8 c1c(nc[nH]1)CCN L09198 [0,2,0,0,0,0|2,0,0]=4 665 B8R1.8 c1cn(cn1)CC#N H66012 [0,2,0,0,0,0|2,0,0]=4 666 B8R1.8 c1cscc1CC#N A12805 [0,2,0,0,0,0|2,0,0]=4 667 B8R1.8 c1cscc1CCO L15138 [0,2,0,0,0,0|2,0,0]=4 668 B8R1.11 CCc1c[nH]nc1N H63199 [0,2,0,0,0,0|0,0,0]=2 669 B8R1.11 Cc1c(c[nH]n1)C=O H32547 [0,2,0,0,0,0|0,0,1]=3 670 B8R1.11 Cc1c(nc[nH]1)C=O B20608 [0,2,0,0,0,0|2,0,0]=4 671 B8R1.11 Cc1c(ocn1)CO H52399 [0,2,0,0,0,0|2,0,0]=4 672 B8R1.11 Cc1c(scn1)CO H61900 [0,2,0,0,0,0|2,0,0]=4 673 B8R1.11 Cc1c(snn1)CO H26129 [0,2,0,0,0,0|1,0,1]=4 674 B8R1.11 Cc1ccsc1C#N A13305 [0,2,0,0,0,0|2,0,0]=4 675 B8R1.11 Cc1ccsc1C=O A13961 [0,2,0,0,0,0|2,0,0]=4 676 B8R1.11 Cc1ccsc1C=O L14741 [0,2,0,0,0,0|2,0,0]=4 677 B8R1.11 Cc1ccsc1CN L18094 [0,2,0,0,0,0|2,0,0]=4 678 B8R1.11 Cn1ccnc1C=O H55201 [0,2,0,0,0,0|2,0,0]=4 679 B8R1.11 Cn1ccnc1CO H64006 [0,2,0,0,0,0|2,0,0]=4 680 B8R1.11 Cn1cncc1C=O H27338 [0,2,0,0,0,0|2,0,0]=4 681 B8R1.11 c1c(c(n[nH]1)C#N)Br H66590 [0,2,0,0,0,0|1,0,0]=3 682 B8R1.11 c1c(c(n[nH]1)N)C#N A14266 [0,2,0,0,0,0|0,0,1]=3 683 B8R1.11 c1csc(c1CN)Br H66245 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.18 CC1=CC(=O)OC1=O L05238 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.18 Cc1c(oc(n1)C)C A10328 [0,2,0,0,0,0|2,0,0]=4 686 B8R1.18 Cc1c(sc(n1)C)C A19046 [0,2,0,0,0,0|2,0,0]=4 687 B8R1.18 Cc1c(sc(n1)N)C B20803 [0,2,0,0,0,0|2,0,0]=4 688 B8R1.18 Cc1c(sc(n1)N)C H59878 [0,2,0,0,0,0|2,0,0]=4 689 B8R1.18 Cc1c(sc(n1)S)C H65085 [0,2,0,0,0,0|2,0,0]=4 690 B8R1.18 Cc1cc(n(n1)C)C A12504 [0,2,0,0,0,0|2,0,0]=4 691 B8R1.18 Cc1cc(n(n1)C)Cl A11730 [0,2,0,0,0,0|2,0,0]=4 692 B8R1.18 Cc1cc(n(n1)C)N A12980 [0,2,0,0,0,0|2,0,0]=4 693 B8R1.18 Cc1cc(sc1Br)Br L02693 [0,2,0,0,0,0|2,0,0]=4 694 B8R1.18 Cc1cc(sc1Cl)Cl H27129 [0,2,0,0,0,0|2,0,0]=4 695 B8R1.18 Cn1cc(c(n1)N)Br B21592 [0,2,0,0,0,0|1,0,0]=3 696 B8R1.50 CN1C(=O)CNC1=S H63157 [0,2,0,0,0,0|2,0,0]=4 697 B8R1.50 Cc1c(c([nH]n1)N)Br A14487 [0,2,0,0,0,0|1,0,0]=3 698 B8R1.50 Cc1c(c(n[nH]1)C)Br A11759 [0,2,0,0,0,0|1,0,0]=3 699 B8R1.50 Cc1c(c(n[nH]1)C)F H33147 [0,2,0,0,0,0|1,0,0]=3 700 B8R1.50 Cc1c(c(n[nH]1)C)I B20647 [0,2,0,0,0,0|1,0,0]=3 701 B8R1.50 Cc1c(c(no1)N)Br B20138 [0,2,0,0,0,0|2,0,0]=4 702 B8R1.50 Cc1c(c(on1)C)Br A14179 [0,2,0,0,0,0|2,0,0]=4 703 B8R1.50 Cc1c(c(on1)C)I A19911 [0,2,0,0,0,0|2,0,0]=4 704 B8R1.50 Cc1c(noc1N)C L12191 [0,2,0,0,0,0|1,0,0]=3 705 B8R1.50 Cc1c(noc1N)C L18668 [0,2,0,0,0,0|1,0,0]=3 706 B8R1.50 Cc1n(cc[n+]1C)C H59724 [0,2,0,0,0,0|2,0,0]=4 707 B8R1.50 Cn1c(c(cn1)Br)N L11620 [0,2,0,0,0,0|1,0,0]=3 708 B8R1.50 Cn1c(c(cn1)N)N H61986 [0,2,0,0,0,0|1,0,0]=3 709 B8R1.50 Cn1c(cnc1I)I H51212 [0,2,0,0,0,0|2,0,0]=4 710 B8R1.50 Cn1cc[n+](c1Cl)C H54316 [0,2,0,0,0,0|2,0,0]=4 711 B8R1.50 Cn1cc[n+](c1F)C H54716 [0,2,0,0,0,0|2,0,0]=4 712 B8R1.50 Cn1cnc(c1Cl)Cl B20151 [0,2,0,0,0,0|2,0,0]=4 713 B8R1.50 c1(c([nH]nc1Br)Br)Br A12031 [0,2,0,0,0,0|1,0,0]=3 714 B6R1.1 C1C=CCC=C1 L07337 [0,0,1,1,0,0|2,0,0]=4 715 B6R1.1 c1ccncc1 19378 [0,0,1,1,0,0|1,0,1]=4 716 B6R1.1 c1ccncc1 22905 [0,0,1,1,0,0|1,0,1]=4 717 B6R1.1 c1ccncc1 32436 [0,0,1,1,0,0|1,0,1]=4 718 B6R1.1 c1ccncc1 43799 [0,0,1,1,0,0|1,0,1]=4 719 B6R1.1 c1ccncc1 A10871 [0,0,1,1,0,0|1,0,1]=4 720 B6R1.1 c1ccncc1 A12005 [0,0,1,1,0,0|1,0,1]=4 721 B6R1.1 c1ccncc1 A12202 [0,0,1,1,0,0|1,0,1]=4 722 B6R1.1 c1ccncc1 A19314 [0,0,1,1,0,0|1,0,1]=4 723 B6R1.1 c1ccncc1 B20663 [0,0,1,1,0,0|1,0,1]=4 724 B6R1.1 c1ccncc1 B22865 [0,0,1,1,0,0|1,0,1]=4 725 B6R1.1 c1ccncc1 L13178 [0,0,1,1,0,0|1,0,1]=4 726 B6R1.1 c1ccnnc1 A13266 [0,0,1,1,0,0|0,0,2]=4 727 B6R1.1 c1cnccn1 16326 [0,0,1,1,0,0|2,0,0]=4 728 B6R1.1 c1cnccn1 A13982 [0,0,1,1,0,0|2,0,0]=4 729 B6R1.1 c1cncnc1 A15534 [0,0,1,1,0,0|2,0,0]=4