0 B8R1.1 C(=O)c1nnc(s1)N TS05449 [0,0,0,0,0,0|3,1,0]=4 1 B8R1.1 C1=CC(=O)O[C@@H]1CO TS32034 [0,0,0,0,0,0|1,0,3]=4 2 B8R1.1 C1=CC(=O)O[C@H]1CO TS32043 [0,0,0,0,0,0|1,0,3]=4 3 B8R1.1 CCC1=CCC(=C1)C TS04143 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.1 CCc1[nH]cc(n1)C TS04212 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CCc1[nH]cc(n1)C TS45131 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.1 CCc1ccc(s1)C TS36173 [0,0,0,0,0,0|1,1,1]=3 7 B8R1.1 CCc1nc(cs1)C TS36248 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.1 Cc1c[nH]c(n1)CN TS46548 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.1 Cc1cc(no1)C=O TS08758 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.1 Cc1cc(oc1)CN TS89029 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.1 Cc1cc(sc1)C=O TS36137 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.1 Cc1cc(sc1)CN TS36247 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 Cc1cc(sc1)CO TS05369 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.1 Cc1ccc(o1)C=O TS29447 [0,0,0,0,0,0|0,0,0]=0 17 B8R1.1 Cc1ccc(o1)CBr TS13614 [0,0,0,0,0,0|1,0,1]=2 18 B8R1.1 Cc1ccc(o1)CN TS31873 [0,0,0,0,0,0|1,0,1]=2 19 B8R1.1 Cc1ccc(o1)CO TS39784 [0,0,0,0,0,0|0,0,2]=2 20 B8R1.1 Cc1ccc(s1)C#N TS86062 [0,0,0,0,0,0|1,1,1]=3 21 B8R1.1 Cc1ccc(s1)C=O TS01147 [0,0,0,0,0,0|0,1,0]=1 22 B8R1.1 Cc1ccc(s1)CN TS36252 [0,0,0,0,0,0|1,1,1]=3 23 B8R1.1 Cc1coc(n1)C=O TS90033 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.1 Cc1csc(n1)C#N TS85639 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.1 Cc1csc(n1)C=O TS86523 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.1 Cc1nc(cs1)C#N TS39286 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.1 Cc1nc(cs1)C=O TS55442 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.1 Cc1nc(cs1)CCl TS15219 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.1 Cc1nc(cs1)CCl TS46478 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.1 Cc1nc(cs1)CN TS36319 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.1 Cc1ncc(o1)C=O TS02441 [0,0,0,0,0,0|1,0,0]=1 32 B8R1.1 Cc1ncc(s1)OC TS05467 [0,0,0,0,0,0|3,1,0]=4 33 B8R1.1 Cc1nnc(o1)CCl TS47085 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.1 Cc1nnc(o1)CN TS04379 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.1 Cc1nnc(o1)CN TS40797 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.1 Cn1cc(cn1)C=O TS00477 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.1 Cn1cc(nc1)C=O TS31819 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.1 Cn1ccc(n1)C#N TS31756 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.1 Cn1ccc(n1)C=O TS00048 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.1 Cn1ccc(n1)CBr TS13618 [0,0,0,0,0,0|3,0,1]=4 41 B8R1.1 Cn1ccc(n1)CN TS90297 [0,0,0,0,0,0|3,0,1]=4 42 B8R1.1 Cn1ccc(n1)CO TS88082 [0,0,0,0,0,0|2,0,2]=4 43 B8R1.1 c1c(c[nH]c1C=O)Cl TS89893 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 c1c(coc1C=O)Br TS39327 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.1 c1c(csc1Br)C=O TS90833 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.1 c1c(csc1C=O)Br TS70971 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.1 c1c(csc1C=O)Cl TS88146 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.1 c1c(csc1Cl)C=O TS87564 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.1 c1c(nc(s1)Br)C=O TS55176 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.1 c1c(nc(s1)C=O)Br TS51392 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.1 c1c(sc(n1)Br)C=O TS08343 [0,0,0,0,0,0|2,1,0]=3 52 B8R1.1 c1c(sc(n1)C=O)Br TS88563 [0,0,0,0,0,0|2,1,0]=3 53 B8R1.1 c1c(sc(n1)C=O)Cl TS88531 [0,0,0,0,0,0|2,1,0]=3 54 B8R1.1 c1c(sc(n1)Cl)C=O TS07944 [0,0,0,0,0,0|2,1,0]=3 55 B8R1.1 c1c(sc(n1)N)C=O TS00789 [0,0,0,0,0,0|2,1,0]=3 56 B8R1.1 c1cc(oc1C=O)Br TS71428 [0,0,0,0,0,0|1,0,0]=1 57 B8R1.1 c1cc(oc1C=O)I TS50041 [0,0,0,0,0,0|1,0,0]=1 58 B8R1.1 c1cc(sc1C#N)Br TS71470 [0,0,0,0,0,0|2,1,1]=4 59 B8R1.1 c1cc(sc1C#N)Cl TS87402 [0,0,0,0,0,0|2,1,1]=4 60 B8R1.1 c1cc(sc1C#N)F TS88137 [0,0,0,0,0,0|2,1,1]=4 61 B8R1.1 c1cc(sc1C=O)Br TS71469 [0,0,0,0,0,0|1,1,0]=2 62 B8R1.1 c1cc(sc1C=O)Cl TS60086 [0,0,0,0,0,0|1,1,0]=2 63 B8R1.1 c1cc(sc1C=O)Cl TS77528 [0,0,0,0,0,0|1,1,0]=2 64 B8R1.1 c1cc(sc1CCl)Cl TS12342 [0,0,0,0,0,0|2,1,1]=4 65 B8R1.1 c1cc(sc1CN)Br TS16792 [0,0,0,0,0,0|2,1,1]=4 66 B8R1.1 c1cc(sc1CN)Cl TS07393 [0,0,0,0,0,0|2,1,1]=4 67 B8R1.1 c1cc(sc1CN)F TS91365 [0,0,0,0,0,0|2,1,1]=4 68 B8R1.1 c1cc(sc1CO)Br TS51585 [0,0,0,0,0,0|1,1,2]=4 69 B8R1.1 c1cc(sc1CO)Cl TS40709 [0,0,0,0,0,0|1,1,2]=4 70 B8R1.1 c1cc(sc1CO)F TS90950 [0,0,0,0,0,0|1,1,2]=4 71 B7R1.1 C#Cc1cccs1 TS59968 [1,0,0,0,0,0|1,1,1]=4 72 B7R1.1 C1C=C(CS1)C=O TS04454 [1,0,0,0,0,0|2,0,1]=4 73 B7R1.1 CCc1ccc[nH]1 TS03700 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.1 CCc1ccco1 TS31365 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.1 CCc1cccs1 TS04335 [1,0,0,0,0,0|1,1,1]=4 76 B7R1.1 CNc1cnco1 TS01626 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 CNc1ncco1 TS05943 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 COc1ccco1 TS03757 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.1 COc1cccs1 TS39279 [1,0,0,0,0,0|2,1,0]=4 80 B7R1.1 CSc1cccs1 TS05614 [1,0,0,0,0,0|2,1,0]=4 81 B7R1.1 c1c(cn[nH]1)C=O TS00454 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 c1c(con1)C=O TS03745 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 c1c(nc[nH]1)C=O TS01483 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 c1c(nco1)C=O TS71269 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 c1c(ncs1)C=O TS01721 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.1 c1c(nn[nH]1)C=O TS00445 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 c1c(nns1)C=O TS32058 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 c1c(ocn1)C#N TS03664 [1,0,0,0,0,0|2,0,1]=4 89 B7R1.1 c1c(ocn1)C=O TS01172 [1,0,0,0,0,0|1,0,0]=2 90 B7R1.1 c1c(ocn1)CBr TS42378 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.1 c1c(ocn1)CCl TS32309 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.1 c1c(ocn1)CO TS91185 [1,0,0,0,0,0|1,0,2]=4 93 B7R1.1 c1c(scn1)C=O TS55509 [1,0,0,0,0,0|1,1,0]=3 94 B7R1.1 c1c[nH]cc1C=O TS00457 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.1 c1c[nH]nc1C=O TS59363 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.1 c1cc([nH]c1)C#N TS01671 [1,0,0,0,0,0|2,0,1]=4 97 B7R1.1 c1cc([nH]c1)C=O TS01672 [1,0,0,0,0,0|1,0,0]=2 98 B7R1.1 c1cc([nH]c1)CN TS31377 [1,0,0,0,0,0|2,0,1]=4 99 B7R1.1 c1cc(oc1)C#N TS71874 [1,0,0,0,0,0|1,0,1]=3 100 B7R1.1 c1cc(oc1)C=O TS03712 [1,0,0,0,0,0|0,0,0]=1 101 B7R1.1 c1cc(oc1)CN TS03749 [1,0,0,0,0,0|1,0,1]=3 102 B7R1.1 c1cc(oc1)CO TS03766 [1,0,0,0,0,0|0,0,2]=3 103 B7R1.1 c1cc(oc1)CS TS32087 [1,0,0,0,0,0|0,1,1]=3 104 B7R1.1 c1cc(sc1)C#N TS65659 [1,0,0,0,0,0|1,1,1]=4 105 B7R1.1 c1cc(sc1)C=O TS65660 [1,0,0,0,0,0|0,1,0]=2 106 B7R1.1 c1cc(sc1)CCl TS01778 [1,0,0,0,0,0|1,1,1]=4 107 B7R1.1 c1cc(sc1)CN TS65663 [1,0,0,0,0,0|1,1,1]=4 108 B7R1.1 c1cc(sc1)CO TS32088 [1,0,0,0,0,0|0,1,2]=4 109 B7R1.1 c1cc(sc1)CS TS05613 [1,0,0,0,0,0|0,2,1]=4 110 B7R1.1 c1cc[c-](c1)C=O TS21602 [1,0,0,0,0,0|1,0,1]=3 111 B7R1.1 c1cn(cn1)C=O TS03714 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.1 c1cn[nH]c1C=O TS85315 [1,0,0,0,0,0|2,0,0]=3 113 B7R1.1 c1cnc([nH]1)C=O TS77140 [1,0,0,0,0,0|2,0,0]=3 114 B7R1.1 c1cnoc1C=O TS03746 [1,0,0,0,0,0|1,0,0]=2 115 B7R1.1 c1cnoc1CN TS01391 [1,0,0,0,0,0|2,0,1]=4 116 B7R1.1 c1cnoc1CN TS56201 [1,0,0,0,0,0|2,0,1]=4 117 B7R1.1 c1cnoc1CO TS31470 [1,0,0,0,0,0|1,0,2]=4 118 B7R1.1 c1cnsc1C=O TS04385 [1,0,0,0,0,0|1,1,0]=3 119 B7R1.1 c1coc(n1)C=O TS09404 [1,0,0,0,0,0|1,0,0]=2 120 B7R1.1 c1coc(n1)CCl TS55279 [1,0,0,0,0,0|2,0,1]=4 121 B7R1.1 c1coc(n1)CO TS89980 [1,0,0,0,0,0|1,0,2]=4 122 B7R1.1 c1cocc1C=O TS02781 [1,0,0,0,0,0|2,0,0]=3 123 B7R1.1 c1conc1C=O TS56203 [1,0,0,0,0,0|2,0,0]=3 124 B7R1.1 c1csc(n1)C=O TS19605 [1,0,0,0,0,0|1,1,0]=3 125 B7R1.1 c1csc(n1)C=O TS65653 [1,0,0,0,0,0|1,1,0]=3 126 B7R1.1 c1cscc1C=O TS70719 [1,0,0,0,0,0|2,0,0]=3 127 B7R1.1 c1nnc(o1)C=O TS03752 [1,0,0,0,0,0|2,0,0]=3 128 B7R1.2 C1=CC(=O)NC1=O TS56220 [1,0,0,0,0,0|2,0,0]=3 129 B7R1.2 C1=CC(=O)OC1=O TS03751 [1,0,0,0,0,0|1,0,0]=2 130 B7R1.2 C1C(=O)OC(=O)N1 TS03898 [1,0,0,0,0,0|2,0,1]=4 131 B7R1.2 C1CC(=O)OC1=O TS31489 [1,0,0,0,0,0|1,0,2]=4 132 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [1,0,0,0,0,0|2,0,1]=4 133 B7R1.2 C=C1CCC(=O)O1 TS03758 [1,0,0,0,0,0|0,0,3]=4 134 B7R1.2 CC1=CC(=O)CC1 TS60019 [1,0,0,0,0,0|1,0,2]=4 135 B7R1.2 CC1=CC(=O)OC1 TS03763 [1,0,0,0,0,0|2,0,1]=4 136 B7R1.2 CC1=CCC(=O)O1 TS03764 [1,0,0,0,0,0|0,0,1]=2 137 B7R1.2 CC1=NNC(=O)C1 TS93059 [1,0,0,0,0,0|3,0,0]=4 138 B7R1.2 CC1=NOC(=O)C1 TS15601 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.2 CC1COC(=O)O1 TS08062 [1,0,0,0,0,0|1,0,2]=4 140 B7R1.2 CC1COC(=O)O1 TS93060 [1,0,0,0,0,0|1,0,2]=4 141 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,0,0,0,0,0|0,0,3]=4 142 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [1,0,0,0,0,0|1,0,2]=4 143 B7R1.2 Cc1[nH]cc(n1)Br TS70962 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.2 Cc1[nH]cc(n1)I TS08883 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [1,0,0,0,0,0|2,0,0]=3 146 B7R1.2 Cc1c[nH]c(n1)C TS00643 [1,0,0,0,0,0|2,0,1]=4 147 B7R1.2 Cc1cc([nH]c1)C TS00646 [1,0,0,0,0,0|2,0,1]=4 148 B7R1.2 Cc1cc(cs1)Br TS70964 [1,0,0,0,0,0|3,0,0]=4 149 B7R1.2 Cc1cc(sc1)C TS04334 [1,0,0,0,0,0|2,0,1]=4 150 B7R1.2 Cc1ccc([nH]1)C TS59928 [1,0,0,0,0,0|1,0,1]=3 151 B7R1.2 Cc1ccc(o1)C TS31370 [1,0,0,0,0,0|0,0,1]=2 152 B7R1.2 Cc1ccc(s1)Br TS55129 [1,0,0,0,0,0|1,1,0]=3 153 B7R1.2 Cc1ccc(s1)C TS04332 [1,0,0,0,0,0|0,1,1]=3 154 B7R1.2 Cc1ccc(s1)Cl TS00916 [1,0,0,0,0,0|1,1,0]=3 155 B7R1.2 Cc1ccc(s1)I TS23773 [1,0,0,0,0,0|1,1,0]=3 156 B7R1.2 Cc1ccn(n1)C TS39993 [1,0,0,0,0,0|2,0,1]=4 157 B7R1.2 Cc1cnc([nH]1)N TS31400 [1,0,0,0,0,0|3,0,0]=4 158 B7R1.2 Cc1cnc([nH]1)N TS36796 [1,0,0,0,0,0|3,0,0]=4 159 B7R1.2 Cc1cnc(s1)Br TS55128 [1,0,0,0,0,0|2,1,0]=4 160 B7R1.2 Cc1cnc(s1)C TS32026 [1,0,0,0,0,0|1,1,1]=4 161 B7R1.2 Cc1cnc(s1)Cl TS60279 [1,0,0,0,0,0|2,1,0]=4 162 B7R1.2 Cc1coc(n1)C TS31396 [1,0,0,0,0,0|2,0,1]=4 163 B7R1.2 Cc1coc(n1)N TS71223 [1,0,0,0,0,0|3,0,0]=4 164 B7R1.2 Cc1csc(n1)Br TS08335 [1,0,0,0,0,0|3,0,0]=4 165 B7R1.2 Cc1csc(n1)C TS00648 [1,0,0,0,0,0|2,0,1]=4 166 B7R1.2 Cc1csc(n1)Cl TS00890 [1,0,0,0,0,0|3,0,0]=4 167 B7R1.2 Cc1csc(n1)N TS47415 [1,0,0,0,0,0|3,0,0]=4 168 B7R1.2 Cc1csc(n1)N TS47417 [1,0,0,0,0,0|3,0,0]=4 169 B7R1.2 Cc1csc(n1)S TS36626 [1,0,0,0,0,0|2,1,0]=4 170 B7R1.2 Cc1n[nH]c(=O)o1 TS31491 [1,0,0,0,0,0|2,0,0]=3 171 B7R1.2 Cc1nc(cs1)Br TS46374 [1,0,0,0,0,0|3,0,0]=4 172 B7R1.2 Cc1nnc(o1)N TS09106 [1,0,0,0,0,0|3,0,0]=4 173 B7R1.2 Cn1ccc(n1)Br TS16852 [1,0,0,0,0,0|3,0,0]=4 174 B7R1.2 Cn1ccc(n1)I TS89582 [1,0,0,0,0,0|3,0,0]=4 175 B7R1.2 Cn1ccc(n1)N TS00475 [1,0,0,0,0,0|3,0,0]=4 176 B7R1.2 Cn1ccc(n1)N TS72253 [1,0,0,0,0,0|3,0,0]=4 177 B7R1.2 c1cc(oc1Br)Br TS52248 [1,0,0,0,0,0|2,0,0]=3 178 B7R1.2 c1cc(sc1Br)Br TS39628 [1,0,0,0,0,0|2,1,0]=4 179 B7R1.2 c1cc(sc1Cl)Br TS18509 [1,0,0,0,0,0|2,1,0]=4 180 B7R1.2 c1cc(sc1Cl)Cl TS10273 [1,0,0,0,0,0|2,1,0]=4 181 B7R1.2 c1cc(sc1Cl)[Zn+] TS68672 [1,0,0,0,0,0|2,1,0]=4 182 B7R1.2 c1cc(sc1I)I TS63999 [1,0,0,0,0,0|2,1,0]=4 183 B9R1.7 Cc1cc(sc1)N=C=O TS02012 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.7 Cc1ccc(o1)C=NO TS05082 [0,1,0,0,0,0|0,0,1]=2 185 B9R1.7 c1cc(sc1C=NO)Br TS20091 [0,1,0,0,0,0|1,1,1]=4 186 B9R1.21 CCc1[nH]cc(n1)C=O TS05022 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.21 CCc1ccc(o1)C=O TS32598 [0,1,0,0,0,0|0,0,0]=1 188 B9R1.21 CCc1ccc(s1)C=O TS06487 [0,1,0,0,0,0|0,1,0]=2 189 B9R1.21 CCc1ccc(s1)CC TS37431 [0,1,0,0,0,0|1,1,1]=4 190 B9R1.21 CCc1csc(n1)C=O TS71101 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.21 CCn1cc(cn1)C=O TS77176 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.21 CSc1ccc([nH]1)C=O TS37496 [0,1,0,0,0,0|1,0,0]=2 193 B9R1.21 CSc1ccc(s1)C#N TS41534 [0,1,0,0,0,0|1,1,1]=4 194 B9R1.21 CSc1ccc(s1)C=O TS11041 [0,1,0,0,0,0|0,1,0]=2 195 B9R1.21 c1c(nc(s1)CO)C=O TS71142 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.21 c1cc(oc1C=O)C=O TS47261 [0,1,0,0,0,0|0,0,1]=2 197 B9R1.21 c1cc(oc1CCl)C=O TS40262 [0,1,0,0,0,0|0,0,0]=1 198 B9R1.21 c1cc(oc1CN)C#N TS11089 [0,1,0,0,0,0|1,0,1]=3 199 B9R1.21 c1cc(oc1CN)C#N TS32494 [0,1,0,0,0,0|1,0,1]=3 200 B9R1.21 c1cc(oc1CO)C=O TS71320 [0,1,0,0,0,0|0,0,0]=1 201 B9R1.21 c1cc(oc1CO)CO TS36272 [0,1,0,0,0,0|0,0,2]=3 202 B9R1.21 c1cc(sc1C=O)C=O TS37379 [0,1,0,0,0,0|0,1,1]=3 203 B9R1.21 c1cc(sc1CN)C#N TS06296 [0,1,0,0,0,0|1,1,1]=4 204 B9R1.21 c1cc(sc1CN)C#N TS45881 [0,1,0,0,0,0|1,1,1]=4 205 B9R1.22 C(=O)c1c(nc(s1)Cl)Cl TS47201 [0,1,0,0,0,0|2,1,0]=4 206 B9R1.22 C(=O)c1c(nc(s1)N)Cl TS00749 [0,1,0,0,0,0|2,1,0]=4 207 B9R1.22 Cc1c(nc(o1)C)C=O TS05078 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.22 Cc1c(oc(n1)C)C=O TS05081 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.22 Cc1c(sc(n1)C)C=O TS37504 [0,1,0,0,0,0|1,1,0]=3 210 B9R1.22 Cc1cc([nH]c1C#N)C TS04811 [0,1,0,0,0,0|2,0,1]=4 211 B9R1.22 Cc1cc([nH]c1C=O)C TS02202 [0,1,0,0,0,0|1,0,0]=2 212 B9R1.22 Cc1cc(c(s1)C#N)N TS06291 [0,1,0,0,0,0|1,1,1]=4 213 B9R1.22 Cc1cc(c(s1)C)C=O TS37390 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.22 Cc1cc(c(s1)C=O)Br TS38754 [0,1,0,0,0,0|0,1,0]=2 215 B9R1.22 Cc1cc(n(n1)C)C=O TS02105 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.22 Cn1cc(c(n1)C=O)Br TS16115 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.22 Cn1cc(c(n1)C=O)Cl TS40267 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.22 Cn1cc(c(n1)N)C=O TS36051 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.23 CCc1nc(c(o1)C)C TS36061 [0,1,0,0,0,0|2,0,1]=4 220 B9R1.23 Cc1c(cc(s1)C=O)Br TS38752 [0,1,0,0,0,0|0,1,0]=2 221 B9R1.23 Cc1cc(oc1C)C=O TS32597 [0,1,0,0,0,0|0,0,0]=1 222 B9R1.23 Cc1cc(sc1Br)C=O TS89210 [0,1,0,0,0,0|1,1,0]=3 223 B9R1.23 c1c(oc(c1Br)Br)C=O TS16347 [0,1,0,0,0,0|1,0,0]=2 224 B9R1.23 c1c(sc(c1Br)Br)C=O TS30734 [0,1,0,0,0,0|1,1,0]=3 225 B9R1.35 B(c1ccc(o1)C)(O)O TS01154 [0,1,0,0,0,0|1,0,1]=3 226 B9R1.35 B(c1ccc(s1)C)(O)O TS01146 [0,1,0,0,0,0|1,1,1]=4 227 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [0,1,0,0,0,0|1,0,0]=2 232 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [0,1,0,0,0,0|1,1,0]=3 233 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [0,1,0,0,0,0|1,1,0]=3 234 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [0,1,0,0,0,0|1,1,0]=3 235 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,1,0,0,0,0|2,0,0]=3 236 B9R1.35 CC(=O)c1cnn(c1)C TS46696 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.35 CC(=O)c1csc(n1)N TS37585 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.35 CC(=O)c1ncc(s1)Br TS87763 [0,1,0,0,0,0|2,1,0]=4 239 B9R1.35 CC(=O)c1ncc(s1)Cl TS91945 [0,1,0,0,0,0|2,1,0]=4 240 B9R1.35 Cc1[nH]c(cn1)[N+](=O)[O-] TS55457 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.35 Cc1[nH]cc(n1)C(=O)C TS05016 [0,1,0,0,0,0|2,0,0]=3 242 B9R1.35 Cc1[nH]cc(n1)C(=S)N TS37506 [0,1,0,0,0,0|2,1,0]=4 243 B9R1.35 Cc1[nH]cc(n1)[N+](=O)[O-] TS94753 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.35 Cc1cc(no1)C(=O)Cl TS07136 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.35 Cc1cc(on1)C(=O)C TS05075 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,1,0,0,0,0|0,0,0]=1 257 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [0,1,0,0,0,0|0,0,0]=1 258 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [0,1,0,0,0,0|0,0,0]=1 259 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,1,0,0,0,0|0,1,0]=2 260 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [0,1,0,0,0,0|0,1,0]=2 261 B9R1.35 Cc1ccn(n1)C(=O)N TS70674 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [0,1,0,0,0,0|1,1,0]=3 263 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.35 Cc1nc(cs1)C(=N)N TS14117 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.35 Cc1nc(cs1)C(=O)N TS02166 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [0,1,0,0,0,0|2,0,0]=3 268 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [0,1,0,0,0,0|1,1,0]=3 269 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [0,1,0,0,0,0|1,1,0]=3 270 B9R1.35 Cc1nnc(o1)C(=O)O TS29444 [0,1,0,0,0,0|2,0,0]=3 271 B9R1.35 Cn1cc(cn1)C(=O)O TS00049 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.35 Cn1cc(nc1)C(=O)N TS77120 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.35 Cn1ccc(n1)C(=O)Cl TS40272 [0,1,0,0,0,0|2,0,0]=3 275 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [0,1,0,0,0,0|2,0,0]=3 277 B9R1.35 Cn1ccc(n1)[N+](=O)[O-] TS05245 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O TS05309 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.35 c1c(csc1C(=O)Cl)Br TS24055 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.35 c1c(csc1C(=O)O)F TS09710 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.35 c1c(csc1C(=O)O)N TS14480 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.35 c1c(csc1F)C(=O)O TS87661 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.35 c1c(nc([nH]1)C(=O)O)N TS05239 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.35 c1c(nc(o1)Br)C(=O)O TS86742 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.35 c1c(nc(o1)Cl)C(=O)O TS07386 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.35 c1c(nc(s1)Br)C(=O)O TS55110 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.35 c1c(nc(s1)C(=O)O)Br TS91199 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.35 c1c(nc(s1)N)C(=O)N TS40075 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.35 c1c(nc(s1)N)C(=O)O TS08270 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.35 c1c(nc(s1)N)C(=O)O TS55048 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.35 c1c(sc(n1)Br)C(=O)O TS55178 [0,1,0,0,0,0|2,1,0]=4 297 B9R1.35 c1c(sc(n1)C(=O)O)Br TS90897 [0,1,0,0,0,0|2,1,0]=4 298 B9R1.35 c1c(sc(n1)C(=O)O)Cl TS89631 [0,1,0,0,0,0|2,1,0]=4 299 B9R1.35 c1c(sc(n1)C(=O)O)N TS91372 [0,1,0,0,0,0|2,1,0]=4 300 B9R1.35 c1c(sc(n1)C(=O)O)N TS92537 [0,1,0,0,0,0|2,1,0]=4 301 B9R1.35 c1c(sc(n1)N)C(=O)O TS55050 [0,1,0,0,0,0|2,1,0]=4 302 B9R1.35 c1cc([nH]c1C(=O)N)Br TS91618 [0,1,0,0,0,0|2,0,0]=3 303 B9R1.35 c1cc(oc1C(=O)Cl)Br TS20789 [0,1,0,0,0,0|1,0,0]=2 304 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [0,1,0,0,0,0|1,0,0]=2 305 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [0,1,0,0,0,0|1,0,0]=2 306 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [0,1,0,0,0,0|1,0,0]=2 307 B9R1.35 c1cc(oc1[N+](=O)[O-])Br TS17400 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.35 c1cc(sc1C(=O)Cl)Cl TS48026 [0,1,0,0,0,0|1,1,0]=3 309 B9R1.35 c1cc(sc1C(=O)N)Cl TS42360 [0,1,0,0,0,0|1,1,0]=3 310 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [0,1,0,0,0,0|1,1,0]=3 311 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [0,1,0,0,0,0|1,1,0]=3 312 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [0,1,0,0,0,0|1,1,0]=3 313 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [0,1,0,0,0,0|1,1,0]=3 314 B9R1.35 c1cc(sc1[N+](=O)[O-])Br TS07708 [0,1,0,0,0,0|2,1,0]=4 315 B9R1.132 Cc1c(cnn1C)C=O TS01993 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.132 Cc1c(ncn1C)C=O TS08686 [0,1,0,0,0,0|3,0,0]=4 317 B9R1.132 Cc1c[nH]c(c1C)C=O TS88398 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.132 Cc1ccc(n1C)C#N TS04814 [0,1,0,0,0,0|2,0,1]=4 319 B9R1.132 Cc1ncc(n1C)C=O TS08680 [0,1,0,0,0,0|2,0,0]=3 320 B7R0.2 CC(=O)OC(=C)C#N TS04238 [0,0,1,0,0,0|2,0,1]=4 321 B7R0.3 C=CCOC(=O)C=C TS31905 [0,0,1,0,0,0|2,0,1]=4 322 B7R0.3 CC=CCC(C)C=C TS31844 [0,0,1,0,0,0|2,0,1]=4 323 B7R0.3 CCOC=C(C)C=O TS04427 [0,0,1,0,0,0|2,0,1]=4 324 B7R0.4 CC(=CCOC=O)C TS04439 [0,0,1,0,0,0|2,0,1]=4 325 B7R0.4 CC(=O)OC=CC=C TS31913 [0,0,1,0,0,0|2,0,1]=4 326 B7R0.4 CC=CC=CC(=O)C TS31841 [0,0,1,0,0,0|1,0,1]=3 327 B7R0.4 CC=CC=CC(=O)O TS31914 [0,0,1,0,0,0|2,0,0]=3 328 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [0,0,1,0,0,0|2,0,1]=4 329 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [0,0,1,0,0,0|2,0,1]=4 330 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.1 C=Cc1ccc(cc1)F TS32505 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.1 C=Cc1ccc(cc1)N TS04791 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.1 C=Cc1ccc(cc1)O TS71308 [0,0,0,0,0,1|3,0,0]=4 335 B9R1.1 CCc1ccc(nc1)C TS32477 [0,0,0,0,0,1|2,0,1]=4 336 B9R1.1 Cc1ccc(cc1)C#C TS32874 [0,0,0,0,0,1|2,0,1]=4 337 B9R1.1 Cc1ccc(cc1)C#N TS04679 [0,0,0,0,0,1|2,0,1]=4 338 B9R1.1 Cc1ccc(cc1)C=C TS71237 [0,0,0,0,0,1|2,0,0]=3 339 B9R1.1 Cc1ccc(cc1)C=O TS09079 [0,0,0,0,0,1|1,0,0]=2 340 B9R1.1 Cc1ccc(cc1)CBr TS03170 [0,0,0,0,0,1|2,0,1]=4 341 B9R1.1 Cc1ccc(cc1)CCl TS37455 [0,0,0,0,0,1|2,0,1]=4 342 B9R1.1 Cc1ccc(cc1)CN TS32473 [0,0,0,0,0,1|2,0,1]=4 343 B9R1.1 Cc1ccc(cc1)CO TS04902 [0,0,0,0,0,1|1,0,2]=4 344 B9R1.1 Cc1ccc(cc1)CS TS06300 [0,0,0,0,0,1|1,1,1]=4 345 B9R1.1 Cc1ccc(cc1)NC TS32470 [0,0,0,0,0,1|3,0,0]=4 346 B9R1.1 Cc1ccc(cc1)NN TS01655 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.1 Cc1ccc(cc1)NN TS23082 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.1 Cc1ccc(cc1)OC TS04894 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.1 Cc1ccc(cc1)SC TS71244 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [0,0,0,0,0,1|3,0,0]=4 351 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.1 Cc1ccc(cn1)C#N TS03281 [0,0,0,0,0,1|2,0,1]=4 353 B9R1.1 Cc1ccc(cn1)C=C TS55464 [0,0,0,0,0,1|2,0,0]=3 354 B9R1.1 Cc1ccc(cn1)C=O TS01266 [0,0,0,0,0,1|1,0,0]=2 355 B9R1.1 Cc1ccc(cn1)CN TS88042 [0,0,0,0,0,1|2,0,1]=4 356 B9R1.1 Cc1ccc(cn1)NN TS32994 [0,0,0,0,0,1|3,0,0]=4 357 B9R1.1 Cc1ccc(cn1)NN TS94799 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.1 Cc1ccc(cn1)OC TS04979 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.1 Cc1ccc(nc1)C#N TS55297 [0,0,0,0,0,1|2,0,1]=4 360 B9R1.1 Cc1ccc(nc1)C=O TS01160 [0,0,0,0,0,1|1,0,0]=2 361 B9R1.1 Cc1ccc(nc1)CN TS08057 [0,0,0,0,0,1|2,0,1]=4 362 B9R1.1 Cc1ccc(nn1)C#N TS88312 [0,0,0,0,0,1|2,0,1]=4 363 B9R1.1 Cc1ccc(nn1)CN TS87880 [0,0,0,0,0,1|2,0,1]=4 364 B9R1.1 Cc1cnc(cn1)C=C TS04818 [0,0,0,0,0,1|3,0,0]=4 365 B9R1.1 Cc1cnc(cn1)C=O TS88939 [0,0,0,0,0,1|2,0,0]=3 366 B9R1.1 Cc1cnc(nc1)C=O TS90871 [0,0,0,0,0,1|2,0,0]=3 367 B9R1.1 Cc1ncc(cn1)C=O TS08763 [0,0,0,0,0,1|2,0,0]=3 368 B9R1.1 c1c(cnc(n1)C=O)Cl TS88591 [0,0,0,0,0,1|3,0,0]=4 369 B9R1.1 c1c(cnc(n1)C=O)F TS89712 [0,0,0,0,0,1|3,0,0]=4 370 B9R1.1 c1c(cnc(n1)Cl)C=O TS90869 [0,0,0,0,0,1|3,0,0]=4 371 B9R1.1 c1c(cnc(n1)N)C=O TS47453 [0,0,0,0,0,1|3,0,0]=4 372 B9R1.1 c1c(ncc(n1)Cl)C=O TS88126 [0,0,0,0,0,1|3,0,0]=4 373 B9R1.1 c1cc(ccc1C=O)Br TS09589 [0,0,0,0,0,1|2,0,0]=3 374 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [0,0,0,0,0,1|2,0,0]=3 375 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [0,0,0,0,0,1|2,0,0]=3 376 B9R1.1 c1cc(ccc1C=O)F TS03079 [0,0,0,0,0,1|2,0,0]=3 377 B9R1.1 c1cc(ccc1C=O)I TS71194 [0,0,0,0,0,1|2,0,0]=3 378 B9R1.1 c1cc(ccc1C=O)N TS08868 [0,0,0,0,0,1|2,0,0]=3 379 B9R1.1 c1cc(ccc1C=O)O TS01630 [0,0,0,0,0,1|2,0,0]=3 380 B9R1.1 c1cc(ccc1C=O)O TS42180 [0,0,0,0,0,1|2,0,0]=3 381 B9R1.1 c1cc(ccc1N=O)O TS32551 [0,0,0,0,0,1|3,0,0]=4 382 B9R1.1 c1cc(ncc1Br)C=O TS71427 [0,0,0,0,0,1|2,0,0]=3 383 B9R1.1 c1cc(ncc1C=O)Br TS16478 [0,0,0,0,0,1|2,0,0]=3 384 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [0,0,0,0,0,1|2,0,0]=3 385 B9R1.1 c1cc(ncc1C=O)F TS01040 [0,0,0,0,0,1|2,0,0]=3 386 B9R1.1 c1cc(ncc1C=O)N TS87752 [0,0,0,0,0,1|2,0,0]=3 387 B9R1.1 c1cc(ncc1C=O)O TS55611 [0,0,0,0,0,1|2,0,0]=3 388 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [0,0,0,0,0,1|2,0,0]=3 389 B9R1.1 c1cc(ncc1F)C=O TS60090 [0,0,0,0,0,1|2,0,0]=3 390 B9R1.1 c1cc(ncc1O)C=O TS03343 [0,0,0,0,0,1|2,0,0]=3 391 B9R1.1 c1cc(nnc1C=O)Cl TS86321 [0,0,0,0,0,1|2,0,0]=3 392 B9R1.1 c1cn(=O)ccc1C=O TS32549 [0,0,0,0,0,1|3,0,0]=4 393 B9R1.2 C=Cc1cc(cnc1)Br TS48517 [0,0,0,0,0,1|3,0,0]=4 394 B9R1.2 C=Cc1cccc(c1)Br TS48377 [0,0,0,0,0,1|3,0,0]=4 395 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [0,0,0,0,0,1|3,0,0]=4 396 B9R1.2 C=Cc1cccc(c1)F TS32503 [0,0,0,0,0,1|3,0,0]=4 397 B9R1.2 C=Cc1cccc(c1)N TS04792 [0,0,0,0,0,1|3,0,0]=4 398 B9R1.2 CCc1cccc(c1)C TS04835 [0,0,0,0,0,1|2,0,1]=4 399 B9R1.2 CCc1cccc(n1)C TS32466 [0,0,0,0,0,1|2,0,1]=4 400 B9R1.2 CCc1ccnc(c1)C TS32469 [0,0,0,0,0,1|2,0,1]=4 401 B9R1.2 Cc1cc(ccn1)C#N TS04726 [0,0,0,0,0,1|2,0,1]=4 402 B9R1.2 Cc1cc(ccn1)C=O TS02448 [0,0,0,0,0,1|1,0,0]=2 403 B9R1.2 Cc1cc(cnc1)C#N TS46458 [0,0,0,0,0,1|2,0,1]=4 404 B9R1.2 Cc1cc(cnc1)C=O TS01158 [0,0,0,0,0,1|1,0,0]=2 405 B9R1.2 Cc1cc(cnc1)CCl TS46377 [0,0,0,0,0,1|2,0,1]=4 406 B9R1.2 Cc1cc(cnc1)CO TS04972 [0,0,0,0,0,1|1,0,2]=4 407 B9R1.2 Cc1cc(cnc1)OC TS04960 [0,0,0,0,0,1|3,0,0]=4 408 B9R1.2 Cc1cccc(c1)C#C TS32229 [0,0,0,0,0,1|2,0,1]=4 409 B9R1.2 Cc1cccc(c1)C#N TS02843 [0,0,0,0,0,1|2,0,1]=4 410 B9R1.2 Cc1cccc(c1)C=C TS70680 [0,0,0,0,0,1|2,0,0]=3 411 B9R1.2 Cc1cccc(c1)CBr TS00037 [0,0,0,0,0,1|2,0,1]=4 412 B9R1.2 Cc1cccc(c1)CCl TS37460 [0,0,0,0,0,1|2,0,1]=4 413 B9R1.2 Cc1cccc(c1)CN TS04866 [0,0,0,0,0,1|2,0,1]=4 414 B9R1.2 Cc1cccc(c1)CO TS04903 [0,0,0,0,0,1|1,0,2]=4 415 B9R1.2 Cc1cccc(c1)CS TS06306 [0,0,0,0,0,1|1,1,1]=4 416 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [0,0,0,0,0,1|2,0,1]=4 417 B9R1.2 Cc1cccc(c1)NC TS32467 [0,0,0,0,0,1|3,0,0]=4 418 B9R1.2 Cc1cccc(c1)NN TS04918 [0,0,0,0,0,1|3,0,0]=4 419 B9R1.2 Cc1cccc(c1)NN TS41997 [0,0,0,0,0,1|3,0,0]=4 420 B9R1.2 Cc1cccc(c1)OC TS32509 [0,0,0,0,0,1|3,0,0]=4 421 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [0,0,0,0,0,1|3,0,0]=4 422 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [0,0,0,0,0,1|3,0,0]=4 423 B9R1.2 Cc1cccc(n1)C#N TS55295 [0,0,0,0,0,1|2,0,1]=4 424 B9R1.2 Cc1cccc(n1)C=C TS04794 [0,0,0,0,0,1|2,0,0]=3 425 B9R1.2 Cc1cccc(n1)C=O TS85261 [0,0,0,0,0,1|1,0,0]=2 426 B9R1.2 Cc1cccc(n1)CBr TS30360 [0,0,0,0,0,1|2,0,1]=4 427 B9R1.2 Cc1cccc(n1)CBr TS48832 [0,0,0,0,0,1|2,0,1]=4 428 B9R1.2 Cc1cccc(n1)CCl TS46378 [0,0,0,0,0,1|2,0,1]=4 429 B9R1.2 Cc1cccc(n1)CN TS01962 [0,0,0,0,0,1|2,0,1]=4 430 B9R1.2 Cc1cccc(n1)CO TS04961 [0,0,0,0,0,1|1,0,2]=4 431 B9R1.2 Cc1cccc(n1)OC TS00087 [0,0,0,0,0,1|3,0,0]=4 432 B9R1.2 Cc1ccnc(c1)C#N TS55293 [0,0,0,0,0,1|2,0,1]=4 433 B9R1.2 Cc1ccnc(c1)C=O TS03178 [0,0,0,0,0,1|1,0,0]=2 434 B9R1.2 Cc1ccnc(c1)CN TS04912 [0,0,0,0,0,1|2,0,1]=4 435 B9R1.2 Cc1ccnc(c1)OC TS04955 [0,0,0,0,0,1|3,0,0]=4 436 B9R1.2 Cc1ccnc(n1)C#N TS91306 [0,0,0,0,0,1|2,0,1]=4 437 B9R1.2 Cc1ccnc(n1)C=O TS90032 [0,0,0,0,0,1|1,0,0]=2 438 B9R1.2 Cc1ccnc(n1)CCl TS89308 [0,0,0,0,0,1|2,0,1]=4 439 B9R1.2 Cc1ccnc(n1)CN TS87070 [0,0,0,0,0,1|2,0,1]=4 440 B9R1.2 Cc1ccnc(n1)CO TS89016 [0,0,0,0,0,1|1,0,2]=4 441 B9R1.2 Cc1ccnc(n1)SC TS85152 [0,0,0,0,0,1|3,0,0]=4 442 B9R1.2 Cc1nccc(n1)C=O TS02450 [0,0,0,0,0,1|1,0,0]=2 443 B9R1.2 c1c(cncc1Br)C=O TS16988 [0,0,0,0,0,1|2,0,0]=3 444 B9R1.2 c1c(cncc1Cl)C=O TS37528 [0,0,0,0,0,1|2,0,0]=3 445 B9R1.2 c1c(cncc1F)C=O TS03322 [0,0,0,0,0,1|2,0,0]=3 446 B9R1.2 c1c(cncc1I)C=O TS25323 [0,0,0,0,0,1|2,0,0]=3 447 B9R1.2 c1c(nc(cn1)Cl)C=O TS87072 [0,0,0,0,0,1|2,0,0]=3 448 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [0,0,0,0,0,1|2,0,0]=3 449 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [0,0,0,0,0,1|2,0,0]=3 450 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [0,0,0,0,0,1|2,0,0]=3 451 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [0,0,0,0,0,1|2,0,0]=3 452 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [0,0,0,0,0,1|2,0,0]=3 453 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [0,0,0,0,0,1|2,0,0]=3 454 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [0,0,0,0,0,1|2,0,0]=3 455 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [0,0,0,0,0,1|2,0,0]=3 456 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [0,0,0,0,0,1|2,0,0]=3 457 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [0,0,0,0,0,1|2,0,0]=3 458 B9R1.2 c1cnc(cc1Br)C=O TS71011 [0,0,0,0,0,1|2,0,0]=3 459 B9R1.2 c1cnc(cc1C=O)Br TS00862 [0,0,0,0,0,1|2,0,0]=3 460 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [0,0,0,0,0,1|2,0,0]=3 461 B9R1.2 c1cnc(cc1C=O)F TS01027 [0,0,0,0,0,1|2,0,0]=3 462 B9R1.2 c1cnc(cc1C=O)N TS32497 [0,0,0,0,0,1|2,0,0]=3 463 B9R1.2 c1cnc(cc1C=O)O TS55404 [0,0,0,0,0,1|2,0,0]=3 464 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [0,0,0,0,0,1|2,0,0]=3 465 B9R1.2 c1cnc(nc1C=O)Cl TS87068 [0,0,0,0,0,1|2,0,0]=3 466 B6R0.1 C=CC(=O)OC=C TS03768 [1,0,1,0,0,0|0,0,1]=3 467 B6R0.1 CC(CC=C)C=C TS31383 [1,0,1,0,0,0|1,0,1]=4 468 B6R0.1 CC=C(C)CC=C TS03736 [1,0,1,0,0,0|1,0,1]=4 469 B6R0.1 CC=CC(=CC)C TS31385 [1,0,1,0,0,0|1,0,1]=4 470 B6R0.1 CCC=C(C)C=O TS03779 [1,0,1,0,0,0|1,0,1]=4 471 B6R0.1 CCCC(=C)C=O TS31425 [1,0,1,0,0,0|1,0,1]=4 472 B6R0.1 CCNC(=O)C=C TS03826 [1,0,1,0,0,0|1,0,1]=4 473 B6R0.1 CCOC(=O)C=C TS33216 [1,0,1,0,0,0|0,0,1]=3 474 B6R0.1 CCOC(=O)C=O TS56148 [1,0,1,0,0,0|1,0,1]=4 475 B6R0.2 CC(=C)OC(=O)C TS03841 [1,0,1,0,0,0|0,0,1]=3 476 B6R0.2 CC(=O)OC(=O)C TS31583 [1,0,1,0,0,0|1,0,1]=4 477 B6R0.4 C(C=CC(=O)O)Br TS42842 [1,0,1,0,0,0|1,0,1]=4 478 B6R0.4 C(C=CC(=O)O)O TS31577 [1,0,1,0,0,0|1,0,1]=4 479 B6R0.4 C=CC=CC(=O)O TS03760 [1,0,1,0,0,0|0,0,1]=3 480 B6R0.4 CC(=CCC=C)C TS03719 [1,0,1,0,0,0|1,0,1]=4 481 B6R0.4 CC(=O)C=COC TS03850 [1,0,1,0,0,0|2,0,0]=4 482 B6R0.4 CC(=O)OCC=O TS31580 [1,0,1,0,0,0|1,0,1]=4 483 B6R0.4 CC(C)C=CC=C TS31391 [1,0,1,0,0,0|1,0,1]=4 484 B6R0.4 CC(C)C=CC=O TS31437 [1,0,1,0,0,0|1,0,1]=4 485 B6R0.4 CCC=CC(=O)C TS31424 [1,0,1,0,0,0|1,0,1]=4 486 B6R0.4 CCC=CC(=O)O TS03448 [1,0,1,0,0,0|0,0,1]=3 487 B6R0.4 CCC=CC(=O)O TS31503 [1,0,1,0,0,0|0,0,1]=3 488 B6R0.4 CN(C)C=CC=O TS02738 [1,0,1,0,0,0|2,0,0]=4 489 B6R0.6 C(=CC=O)C=CBr TS11348 [1,0,1,0,0,0|1,0,0]=3 490 B6R0.6 CC=CC=CC#N TS71880 [1,0,1,0,0,0|1,0,1]=4 491 B6R0.6 CC=CC=CC=O TS31368 [1,0,1,0,0,0|0,0,0]=2 492 B6R0.6 CC=CC=CCO TS31427 [1,0,1,0,0,0|0,0,2]=4 493 B6R0.6 CCC=CCC=O TS31443 [1,0,1,0,0,0|0,0,2]=4 494 B6R0.6 CCCC=CC=O TS31421 [1,0,1,0,0,0|0,0,2]=4 495 B6R0.6 CCCC=CC=O TS31438 [1,0,1,0,0,0|0,0,2]=4 496 B6R0.6 CCCC=CC=O TS31444 [1,0,1,0,0,0|0,0,2]=4 497 B6R0.9 CCC(=CC)C=O TS31448 [1,0,1,0,0,0|0,0,2]=4 498 B6R1.2 C1=CN=NC1=O TS03479 [2,0,0,0,0,0|2,0,0]=4 499 B6R1.2 C1C=CC(=O)N1 TS71697 [2,0,0,0,0,0|1,0,1]=4 500 B6R1.2 C1C=CC(=O)O1 TS03476 [2,0,0,0,0,0|0,0,1]=3 501 B6R1.2 C1C=CCC1=O TS03462 [2,0,0,0,0,0|1,0,1]=4 502 B6R1.2 C1CC(=O)C=C1 TS00977 [2,0,0,0,0,0|1,0,1]=4 503 B6R1.2 CC1=CCCO1 TS03492 [2,0,0,0,0,0|0,0,2]=4 504 B6R1.2 Cc1[nH]ccn1 TS59974 [2,0,0,0,0,0|2,0,0]=4 505 B6R1.2 Cc1c[nH]cn1 TS03464 [2,0,0,0,0,0|2,0,0]=4 506 B6R1.2 Cc1cc[nH]c1 TS70679 [2,0,0,0,0,0|2,0,0]=4 507 B6R1.2 Cc1cc[nH]n1 TS70653 [2,0,0,0,0,0|2,0,0]=4 508 B6R1.2 Cc1ccco1 TS03463 [2,0,0,0,0,0|0,0,0]=2 509 B6R1.2 Cc1cccs1 TS65607 [2,0,0,0,0,0|0,1,0]=3 510 B6R1.2 Cc1ccno1 TS71696 [2,0,0,0,0,0|1,0,0]=3 511 B6R1.2 Cc1ccoc1 TS02846 [2,0,0,0,0,0|2,0,0]=4 512 B6R1.2 Cc1ccsc1 TS70682 [2,0,0,0,0,0|2,0,0]=4 513 B6R1.2 Cc1ccsn1 TS39717 [2,0,0,0,0,0|2,0,0]=4 514 B6R1.2 Cc1cncs1 TS33187 [2,0,0,0,0,0|1,1,0]=4 515 B6R1.2 Cc1cscn1 TS71246 [2,0,0,0,0,0|2,0,0]=4 516 B6R1.2 Cn1cccc1 TS03445 [2,0,0,0,0,0|2,0,0]=4 517 B6R1.2 Cn1cccn1 TS47002 [2,0,0,0,0,0|2,0,0]=4 518 B6R1.2 c1c[nH]c(=O)[nH]1 TS03478 [2,0,0,0,0,0|2,0,0]=4 519 B6R1.2 c1cc(oc1)Br TS55169 [2,0,0,0,0,0|1,0,0]=3 520 B6R1.2 c1cc(sc1)Br TS55181 [2,0,0,0,0,0|1,1,0]=4 521 B6R1.2 c1cc(sc1)Cl TS04771 [2,0,0,0,0,0|1,1,0]=4 522 B6R1.2 c1cc(sc1)F TS01041 [2,0,0,0,0,0|1,1,0]=4 523 B6R1.2 c1cc(sc1)I TS07727 [2,0,0,0,0,0|1,1,0]=4 524 B6R1.2 c1cc(sc1)S TS39686 [2,0,0,0,0,0|0,2,0]=4 525 B6R1.2 c1cc(sc1)[Zn+] TS24604 [2,0,0,0,0,0|1,1,0]=4 526 B6R1.2 c1cnoc1N TS85224 [2,0,0,0,0,0|2,0,0]=4 527 B6R1.2 c1coc(=O)o1 TS16828 [2,0,0,0,0,0|1,0,0]=3 528 B6R1.2 c1coc(n1)I TS86803 [2,0,0,0,0,0|2,0,0]=4 529 B6R1.2 c1coc(n1)N TS00816 [2,0,0,0,0,0|2,0,0]=4 530 B8R0.23 CC(=O)NC(=C)C(=O)O TS05433 [0,1,1,0,0,0|2,0,0]=4 531 B8R0.28 C(C=CC(=O)O)C(=O)O TS36453 [0,1,1,0,0,0|1,0,1]=4 532 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [0,1,1,0,0,0|1,0,0]=3 533 B8R0.28 CC(=O)CC=CC(=O)O TS36269 [0,1,1,0,0,0|0,0,2]=4 534 B8R1.7 B(c1ccco1)(O)O TS94317 [1,1,0,0,0,0|1,0,1]=4 535 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [1,1,0,0,0,0|0,0,2]=4 536 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [1,1,0,0,0,0|1,0,1]=4 537 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [1,1,0,0,0,0|2,0,0]=4 538 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [1,1,0,0,0,0|2,0,0]=4 539 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [1,1,0,0,0,0|2,0,0]=4 540 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [1,1,0,0,0,0|1,0,0]=3 541 B8R1.7 CC(=O)c1ccco1 TS04188 [1,1,0,0,0,0|0,0,0]=2 542 B8R1.7 CC(=O)c1cccs1 TS08262 [1,1,0,0,0,0|0,1,0]=3 543 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [1,1,0,0,0,0|2,0,0]=4 544 B8R1.7 CC(=O)c1ccns1 TS05261 [1,1,0,0,0,0|1,1,0]=4 545 B8R1.7 CC(=O)c1ccsc1 TS65833 [1,1,0,0,0,0|2,0,0]=4 546 B8R1.7 CC(=O)c1cncs1 TS46736 [1,1,0,0,0,0|1,1,0]=4 547 B8R1.7 CC(=O)c1nccs1 TS08261 [1,1,0,0,0,0|1,1,0]=4 548 B8R1.7 CC(=O)n1cccn1 TS04194 [1,1,0,0,0,0|2,0,0]=4 549 B8R1.7 CC(c1ccco1)N TS04253 [1,1,0,0,0,0|1,0,1]=4 550 B8R1.7 CC(c1ccco1)O TS31898 [1,1,0,0,0,0|0,0,2]=4 551 B8R1.7 C[C@H](c1ccco1)O TS31904 [1,1,0,0,0,0|0,0,2]=4 552 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [1,1,0,0,0,0|2,0,0]=4 553 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [1,1,0,0,0,0|2,0,0]=4 554 B8R1.7 c1c(nco1)C(=O)O TS00378 [1,1,0,0,0,0|2,0,0]=4 555 B8R1.7 c1c(ncs1)C(=O)N TS01722 [1,1,0,0,0,0|2,0,0]=4 556 B8R1.7 c1c(ocn1)C(=O)N TS04275 [1,1,0,0,0,0|1,0,0]=3 557 B8R1.7 c1c(ocn1)C(=O)O TS01173 [1,1,0,0,0,0|1,0,0]=3 558 B8R1.7 c1c(ocn1)C(=S)N TS05325 [1,1,0,0,0,0|1,1,0]=4 559 B8R1.7 c1c[nH]nc1C(=O)N TS00453 [1,1,0,0,0,0|2,0,0]=4 560 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [1,1,0,0,0,0|2,0,0]=4 561 B8R1.7 c1cc([nH]c1)C(=N)N TS31801 [1,1,0,0,0,0|2,0,0]=4 562 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [1,1,0,0,0,0|1,0,0]=3 563 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [1,1,0,0,0,0|1,0,0]=3 564 B8R1.7 c1cc(oc1)C(=N)N TS31821 [1,1,0,0,0,0|1,0,0]=3 565 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [1,1,0,0,0,0|0,0,0]=2 566 B8R1.7 c1cc(oc1)C(=O)N TS04237 [1,1,0,0,0,0|0,0,0]=2 567 B8R1.7 c1cc(oc1)C(=O)O TS04269 [1,1,0,0,0,0|0,0,0]=2 568 B8R1.7 c1cc(oc1)C(=S)N TS05264 [1,1,0,0,0,0|0,1,0]=3 569 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [1,1,0,0,0,0|1,0,0]=3 570 B8R1.7 c1cc(sc1)C(=N)N TS08265 [1,1,0,0,0,0|1,1,0]=4 571 B8R1.7 c1cc(sc1)C(=N)N TS36145 [1,1,0,0,0,0|1,1,0]=4 572 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [1,1,0,0,0,0|0,1,0]=3 573 B8R1.7 c1cc(sc1)C(=O)N TS05268 [1,1,0,0,0,0|0,1,0]=3 574 B8R1.7 c1cc(sc1)C(=O)O TS59443 [1,1,0,0,0,0|0,1,0]=3 575 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [1,1,0,0,0,0|0,1,0]=3 576 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [1,1,0,0,0,0|0,1,0]=3 577 B8R1.7 c1cc(sc1)[N+](=O)[O-] TS09400 [1,1,0,0,0,0|1,1,0]=4 578 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [1,1,0,0,0,0|1,0,1]=4 579 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [1,1,0,0,0,0|2,0,0]=4 580 B8R1.7 c1cnoc1C(=O)Cl TS56205 [1,1,0,0,0,0|1,0,0]=3 581 B8R1.7 c1cnoc1C(=O)N TS04271 [1,1,0,0,0,0|1,0,0]=3 582 B8R1.7 c1cnoc1C(=S)N TS05329 [1,1,0,0,0,0|1,1,0]=4 583 B8R1.7 c1cnsc1C(=O)O TS05447 [1,1,0,0,0,0|1,1,0]=4 584 B8R1.7 c1coc(n1)C(=O)N TS04277 [1,1,0,0,0,0|1,0,0]=3 585 B8R1.7 c1coc(n1)C(=O)O TS39923 [1,1,0,0,0,0|1,0,0]=3 586 B8R1.7 c1coc(n1)C(=S)N TS05328 [1,1,0,0,0,0|1,1,0]=4 587 B8R1.7 c1cocc1C(=O)Cl TS36565 [1,1,0,0,0,0|2,0,0]=4 588 B8R1.7 c1cocc1C(=O)O TS02783 [1,1,0,0,0,0|2,0,0]=4 589 B8R1.7 c1cocc1C(=O)O TS13775 [1,1,0,0,0,0|2,0,0]=4 590 B8R1.7 c1conc1C(=O)O TS00353 [1,1,0,0,0,0|2,0,0]=4 591 B8R1.7 c1csc(n1)C(=O)O TS05448 [1,1,0,0,0,0|1,1,0]=4 592 B8R1.7 c1csc(n1)C(=O)O TS85376 [1,1,0,0,0,0|1,1,0]=4 593 B8R1.7 c1cscc1C(=O)Cl TS22828 [1,1,0,0,0,0|2,0,0]=4 594 B8R1.7 c1cscc1C(=O)O TS59444 [1,1,0,0,0,0|2,0,0]=4 595 B8R1.7 c1csnc1C(=O)O TS91622 [1,1,0,0,0,0|2,0,0]=4 596 B8R1.8 CCCc1ccco1 TS31836 [1,1,0,0,0,0|1,0,1]=4 597 B8R1.8 CNCc1ccco1 TS04251 [1,1,0,0,0,0|1,0,1]=4 598 B8R1.8 CNCc1ccco1 TS07391 [1,1,0,0,0,0|1,0,1]=4 599 B8R1.8 COCc1ccco1 TS31900 [1,1,0,0,0,0|0,0,2]=4 600 B8R1.8 CSCc1ccco1 TS05367 [1,1,0,0,0,0|0,1,1]=4 601 B8R1.8 c1cc([nH]c1)C=NO TS04195 [1,1,0,0,0,0|1,0,1]=4 602 B8R1.8 c1cc(oc1)C=NO TS04241 [1,1,0,0,0,0|0,0,1]=3 603 B8R1.8 c1cc(oc1)CCO TS31915 [1,1,0,0,0,0|0,0,2]=4 604 B8R1.8 c1cc(sc1)C=NO TS05263 [1,1,0,0,0,0|0,1,1]=4 605 B8R1.8 c1cc(sc1)N=C=O TS02013 [1,1,0,0,0,0|0,1,1]=4 606 B8R1.11 Cc1c(nc[nH]1)C=O TS31818 [1,1,0,0,0,0|2,0,0]=4 607 B8R1.11 Cc1c(scn1)C=O TS08697 [1,1,0,0,0,0|1,1,0]=4 608 B8R1.11 Cc1cc[nH]c1C=O TS31796 [1,1,0,0,0,0|1,0,0]=3 609 B8R1.11 Cc1ccsc1C=O TS70683 [1,1,0,0,0,0|0,1,0]=3 610 B8R1.11 Cn1c(ccn1)C=O TS16650 [1,1,0,0,0,0|2,0,0]=4 611 B8R1.11 Cn1cccc1C=O TS31795 [1,1,0,0,0,0|1,0,0]=3 612 B8R1.11 Cn1ccnc1C=O TS00052 [1,1,0,0,0,0|2,0,0]=4 613 B8R1.11 Cn1cncc1C=O TS00469 [1,1,0,0,0,0|2,0,0]=4 614 B8R1.11 c1c(c(cs1)Br)C=O TS09451 [1,1,0,0,0,0|2,0,0]=4 615 B8R1.11 c1c(c(n[nH]1)C=O)Cl TS36567 [1,1,0,0,0,0|2,0,0]=4 616 B8R1.11 c1c[nH]c(c1Br)C=O TS90463 [1,1,0,0,0,0|1,0,0]=3 617 B8R1.11 c1c[nH]c(c1Cl)C=O TS88935 [1,1,0,0,0,0|1,0,0]=3 618 B8R1.11 c1coc(c1Br)C=O TS45892 [1,1,0,0,0,0|0,0,0]=2 619 B8R1.11 c1csc(c1Br)C=O TS60011 [1,1,0,0,0,0|0,1,0]=3 620 B8R1.11 c1csc(c1Cl)C=O TS02034 [1,1,0,0,0,0|0,1,0]=3 621 B8R1.11 c1nc(c(s1)C=O)Cl TS85466 [1,1,0,0,0,0|1,1,0]=4 622 B8R1.18 C1=C(C(=O)OC1=O)Br TS46214 [1,1,0,0,0,0|1,0,0]=3 623 B8R1.18 C1=C(C(=O)OC1=O)Cl TS36728 [1,1,0,0,0,0|1,0,0]=3 624 B8R1.18 C=C1CC(=O)OC1=O TS04270 [1,1,0,0,0,0|1,0,1]=4 625 B8R1.18 CC1=CC(=O)OC1=O TS22789 [1,1,0,0,0,0|1,0,0]=3 626 B8R1.18 CC1=CC(=O)OC1O TS32042 [1,1,0,0,0,0|1,0,1]=4 627 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [1,1,0,0,0,0|0,0,2]=4 628 B8R1.18 CC1CC(=C)C(=O)O1 TS31903 [1,1,0,0,0,0|0,0,2]=4 629 B8R1.18 Cc1c([nH]c(=O)[nH]1)C TS04294 [1,1,0,0,0,0|2,0,0]=4 630 B8R1.18 Cc1c(cc(s1)Br)Br TS67792 [1,1,0,0,0,0|1,1,0]=4 631 B8R1.18 Cc1c(oc(=O)o1)C TS60038 [1,1,0,0,0,0|1,0,0]=3 632 B8R1.18 Cc1c(oc(n1)C)C TS00589 [1,1,0,0,0,0|1,0,1]=4 633 B8R1.18 Cc1cc(c(o1)C)S TS36314 [1,1,0,0,0,0|0,0,1]=3 634 B8R1.18 Cc1cc(sc1C)C TS36170 [1,1,0,0,0,0|0,1,1]=4 635 B8R1.50 C1=CC(=O)N(C1=O)O TS31997 [1,1,0,0,0,0|2,0,0]=4 636 B8R1.50 CN1C(=O)C=CC1=O TS04240 [1,1,0,0,0,0|2,0,0]=4 637 B8R1.50 Cc1ccc(n1C)C TS31807 [1,1,0,0,0,0|1,0,1]=4 638 B8R1.51 CC1(CC(=O)C=C1)C TS31840 [1,1,0,0,0,0|1,0,1]=4 639 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [0,1,0,0,0,1|1,0,1]=4 640 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [0,1,0,0,0,1|1,0,0]=3 642 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [0,1,0,0,0,1|1,0,1]=4 643 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [0,1,0,0,0,1|1,0,0]=3 644 B10R1.1 Cc1ccc(cn1)N=C=O TS36819 [0,1,0,0,0,1|1,0,1]=4 645 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.1 c1cc(ccc1CC=O)F TS47060 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.1 c1cc(ccc1CC=O)N TS36921 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.1 c1cc(ccc1CC=O)O TS36982 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.1 c1cc(ccc1NC=O)F TS37270 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.1 c1cc(ccc1NC=O)O TS37097 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [0,1,0,0,0,1|1,0,1]=4 654 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [0,1,0,0,0,1|1,0,1]=4 655 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [0,1,0,0,0,1|2,0,0]=4 656 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [0,1,0,0,0,1|2,0,0]=4 657 B10R1.3 CCc1ccc(cc1)C=C TS36711 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.3 CCc1ccc(cc1)C=O TS36835 [0,1,0,0,0,1|1,0,0]=3 659 B10R1.3 CCc1ccc(nc1)C=C TS65158 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.3 CCc1ncc(cn1)C=O TS55317 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.3 COc1ccc(cc1)C=C TS36841 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.3 COc1ccc(cc1)C=O TS36981 [0,1,0,0,0,1|1,0,0]=3 663 B10R1.3 COc1ccc(cn1)C=O TS55618 [0,1,0,0,0,1|1,0,0]=3 664 B10R1.3 COc1ccc(nc1)C=O TS87371 [0,1,0,0,0,1|1,0,0]=3 665 B10R1.3 COc1ncc(cn1)C=O TS55436 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.3 CSc1ccc(cc1)C=O TS71245 [0,1,0,0,0,1|1,0,0]=3 667 B10R1.3 CSc1ncc(cn1)C=O TS00520 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [0,1,0,0,0,1|1,0,1]=4 669 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [0,1,0,0,0,1|1,0,1]=4 670 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [0,1,0,0,0,1|1,0,0]=3 671 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,1,0,0,0,1|2,0,0]=4 677 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,1,0,0,0,1|2,0,0]=4 679 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,1,0,0,0,1|2,0,0]=4 680 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,1,0,0,0,1|2,0,0]=4 682 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,1,0,0,0,1|1,0,0]=3 685 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,1,0,0,0,1|1,0,0]=3 686 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,1,0,0,0,1|1,0,0]=3 687 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,1,0,0,0,1|1,0,0]=3 688 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,1,0,0,0,1|1,1,0]=4 689 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,1,0,0,0,1|2,0,0]=4 690 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,1,0,0,0,1|1,0,0]=3 699 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,1,0,0,0,1|1,0,0]=3 700 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,1,0,0,0,1|1,0,0]=3 701 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,1,0,0,0,1|1,1,0]=4 702 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,1,0,0,0,1|1,0,0]=3 704 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,1,0,0,0,1|1,0,0]=3 705 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,1,0,0,0,1|1,0,0]=3 711 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,1,0,0,0,1|2,0,0]=4 723 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,1,0,0,0,1|2,0,0]=4 733 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,1,0,0,0,1|2,0,0]=4 751 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.13 c1cc(nnc1C(=O)N)Cl TS41834 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [0,1,0,0,0,1|2,0,0]=4 755 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [0,1,0,0,0,1|2,0,0]=4 756 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [0,1,0,0,0,1|2,0,0]=4 757 B10R1.25 Cc1c(ccc(n1)Cl)C=O TS10618 [0,1,0,0,0,1|2,0,0]=4 758 B10R1.25 Cc1c(ccc(n1)F)C=O TS85125 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [0,1,0,0,0,1|2,0,0]=4 761 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [0,1,0,0,0,1|2,0,0]=4 762 B10R1.25 Cc1cc(cnc1C=O)Br TS16993 [0,1,0,0,0,1|2,0,0]=4 763 B10R1.25 Cc1cc(ncc1C=O)Cl TS10623 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [0,1,0,0,0,1|1,0,0]=3 765 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [0,1,0,0,0,1|1,0,0]=3 767 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [0,1,0,0,0,1|1,0,0]=3 768 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [0,1,0,0,0,1|1,0,0]=3 769 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [0,1,0,0,0,1|1,0,0]=3 770 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [0,1,0,0,0,1|1,0,0]=3 771 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [0,1,0,0,0,1|1,0,0]=3 772 B10R1.25 c1c(c(cnc1Cl)C=O)Cl TS86372 [0,1,0,0,0,1|2,0,0]=4 773 B10R1.25 c1c(cnc(c1F)C=O)Br TS85779 [0,1,0,0,0,1|2,0,0]=4 774 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [0,1,0,0,0,1|2,0,0]=4 775 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [0,1,0,0,0,1|2,0,0]=4 776 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [0,1,0,0,0,1|2,0,0]=4 777 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [0,1,0,0,0,1|2,0,0]=4 778 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [0,1,0,0,0,1|2,0,0]=4 779 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [0,1,0,0,0,1|2,0,0]=4 780 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [0,1,0,0,0,1|2,0,0]=4 781 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [0,1,0,0,0,1|2,0,0]=4 782 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [0,1,0,0,0,1|2,0,0]=4 783 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [0,1,0,0,0,1|2,0,0]=4 784 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [0,1,0,0,0,1|2,0,0]=4 785 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [0,1,0,0,0,1|2,0,0]=4 786 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [0,1,0,0,0,1|2,0,0]=4 787 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [0,1,0,0,0,1|2,0,0]=4 788 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [0,1,0,0,0,1|2,0,0]=4 789 B10R1.25 c1cc(nc(c1C=O)Br)Br TS88121 [0,1,0,0,0,1|2,0,0]=4 790 B10R1.25 c1cc(nc(c1C=O)Cl)Cl TS47285 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.25 c1cc(nc(c1C=O)F)F TS40047 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.176 Cc1c(ccc(n1)C=O)F TS32659 [0,1,0,0,0,1|2,0,0]=4 793 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [0,1,0,0,0,1|2,0,0]=4 794 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [0,1,0,0,0,1|2,0,0]=4 795 B10R1.176 Cc1cc(cnc1Br)C=O TS18938 [0,1,0,0,0,1|2,0,0]=4 796 B10R1.176 Cc1cc(cnc1F)C=O TS00997 [0,1,0,0,0,1|2,0,0]=4 797 B10R1.176 Cc1cc(ncc1Cl)C=O TS10620 [0,1,0,0,0,1|2,0,0]=4 798 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [0,1,0,0,0,1|1,0,0]=3 799 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [0,1,0,0,0,1|1,0,0]=3 800 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [0,1,0,0,0,1|1,0,0]=3 801 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [0,1,0,0,0,1|2,0,0]=4 802 B10R1.176 c1c(cnc(c1Cl)Cl)C=O TS47146 [0,1,0,0,0,1|2,0,0]=4 803 B10R1.176 c1c(cnc(c1Cl)O)C=O TS85209 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [0,1,0,0,0,1|2,0,0]=4 805 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [0,1,0,0,0,1|2,0,0]=4 808 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [0,1,0,0,0,1|2,0,0]=4 809 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [0,1,0,0,0,1|2,0,0]=4 810 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [0,1,0,0,0,1|2,0,0]=4 811 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [0,1,0,0,0,1|2,0,0]=4 812 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [0,1,0,0,0,1|2,0,0]=4 813 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [0,1,0,0,0,1|2,0,0]=4 814 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [0,1,0,0,0,1|2,0,0]=4 815 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [0,1,0,0,0,1|2,0,0]=4 816 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [0,1,0,0,0,1|2,0,0]=4 817 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [0,1,0,0,0,1|2,0,0]=4 818 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [0,1,0,0,0,1|2,0,0]=4 819 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [0,1,0,0,0,1|2,0,0]=4 820 B10R1.2 Cc1c(c(ccn1)C=O)O TS37087 [0,1,0,0,0,1|1,0,0]=3 821 B10R1.2 Cc1c(cccc1F)C=O TS08977 [0,1,0,0,0,1|2,0,0]=4 822 B10R1.2 Cc1cccc(c1C)C=O TS59680 [0,1,0,0,0,1|1,0,0]=3 823 B10R1.2 Cc1cccc(c1F)C=O TS37170 [0,1,0,0,0,1|1,0,0]=3 824 B10R1.2 Cc1cccc(c1O)C=O TS36989 [0,1,0,0,0,1|1,0,0]=3 825 B10R1.2 Cc1ccnc(c1Cl)C=O TS10624 [0,1,0,0,0,1|1,0,0]=3 826 B10R1.2 Cc1ccnc(c1F)C=O TS02040 [0,1,0,0,0,1|1,0,0]=3 827 B10R1.2 c1cc(c(c(c1)Br)Br)C=O TS29979 [0,1,0,0,0,1|2,0,0]=4 828 B10R1.2 c1cc(c(c(c1)Br)O)C=O TS65902 [0,1,0,0,0,1|2,0,0]=4 829 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O TS47149 [0,1,0,0,0,1|2,0,0]=4 830 B10R1.2 c1cc(c(c(c1)Cl)F)C=O TS65968 [0,1,0,0,0,1|2,0,0]=4 831 B10R1.2 c1cc(c(c(c1)Cl)O)C=O TS10793 [0,1,0,0,0,1|2,0,0]=4 832 B10R1.2 c1cc(c(c(c1)F)Br)C=O TS38367 [0,1,0,0,0,1|2,0,0]=4 833 B10R1.2 c1cc(c(c(c1)F)Cl)C=O TS08398 [0,1,0,0,0,1|2,0,0]=4 834 B10R1.2 c1cc(c(c(c1)F)F)C=O TS00555 [0,1,0,0,0,1|2,0,0]=4 835 B10R1.2 c1cc(c(c(c1)F)I)C=O TS09366 [0,1,0,0,0,1|2,0,0]=4 836 B10R1.2 c1cc(c(c(c1)F)O)C=O TS02771 [0,1,0,0,0,1|2,0,0]=4 837 B10R1.2 c1cc(c(c(c1)I)O)C=O TS27692 [0,1,0,0,0,1|2,0,0]=4 838 B10R1.2 c1cc(c(c(c1)O)Br)C=O TS94632 [0,1,0,0,0,1|2,0,0]=4 839 B10R1.2 c1cc(c(c(c1)O)O)C=O TS06231 [0,1,0,0,0,1|2,0,0]=4 840 B10R1.2 c1cnc(c(c1C=O)Cl)Cl TS46032 [0,1,0,0,0,1|2,0,0]=4 841 B10R1.2 c1cnc(c(c1C=O)F)Cl TS08399 [0,1,0,0,0,1|2,0,0]=4 842 B10R1.8 Cc1cc(cc(c1)C=O)C TS08854 [0,1,0,0,0,1|1,0,0]=3 843 B10R1.8 Cc1cc(cc(c1)F)C=O TS09382 [0,1,0,0,0,1|1,0,0]=3 844 B10R1.8 Cc1cc(cc(n1)C)C=O TS36916 [0,1,0,0,0,1|1,0,0]=3 845 B10R1.8 Cc1cc(cc(n1)C=O)Br TS18941 [0,1,0,0,0,1|1,0,0]=3 846 B10R1.8 Cc1cc(cc(n1)Cl)C=O TS10619 [0,1,0,0,0,1|1,0,0]=3 847 B10R1.8 c1c([nH]c(=O)[nH]c1=O)C=O TS01619 [0,1,0,0,0,1|2,0,0]=4 848 B10R1.8 c1c(cc(cc1Br)Br)C=O TS02574 [0,1,0,0,0,1|2,0,0]=4 849 B10R1.8 c1c(cc(cc1Br)I)C=O TS76458 [0,1,0,0,0,1|2,0,0]=4 850 B10R1.8 c1c(cc(cc1Cl)Br)C=O TS49660 [0,1,0,0,0,1|2,0,0]=4 851 B10R1.8 c1c(cc(cc1Cl)Cl)C=O TS65784 [0,1,0,0,0,1|2,0,0]=4 852 B10R1.8 c1c(cc(cc1F)Br)C=O TS65927 [0,1,0,0,0,1|2,0,0]=4 853 B10R1.8 c1c(cc(cc1F)Cl)C=O TS09352 [0,1,0,0,0,1|2,0,0]=4 854 B10R1.8 c1c(cc(cc1F)F)C=O TS65799 [0,1,0,0,0,1|2,0,0]=4 855 B10R1.8 c1c(cc(cc1I)I)C=O TS66267 [0,1,0,0,0,1|2,0,0]=4 856 B10R1.8 c1c(cc(cc1O)Cl)C=O TS10790 [0,1,0,0,0,1|2,0,0]=4 857 B10R1.8 c1c(cc(cc1O)O)C=O TS02591 [0,1,0,0,0,1|2,0,0]=4 858 B10R1.8 c1c(cc(nc1Br)Br)C=O TS00695 [0,1,0,0,0,1|2,0,0]=4 859 B10R1.8 c1c(cc(nc1Cl)Cl)C=O TS47302 [0,1,0,0,0,1|2,0,0]=4 860 B10R1.10 Cc1cccc(c1)N=C=O TS36748 [0,1,0,0,0,1|1,0,1]=4 861 B10R1.10 Cc1cccc(c1)NC=O TS36924 [0,1,0,0,0,1|1,0,0]=3 862 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [0,1,0,0,0,1|2,0,0]=4 863 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [0,1,0,0,0,1|2,0,0]=4 864 B10R1.30 Cc1cc(c(nc1)Cl)C=O TS41555 [0,1,0,0,0,1|1,0,0]=3 865 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [0,1,0,0,0,1|2,0,0]=4 866 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [0,1,0,0,0,1|1,0,0]=3 867 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [0,1,0,0,0,1|1,0,0]=3 868 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [0,1,0,0,0,1|1,0,0]=3 869 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [0,1,0,0,0,1|1,0,0]=3 870 B10R1.30 Cc1ccc(c(n1)C=O)F TS37267 [0,1,0,0,0,1|1,0,0]=3 871 B10R1.30 Cc1ccc(cc1C=O)Br TS09794 [0,1,0,0,0,1|2,0,0]=4 872 B10R1.30 Cc1ccc(cc1C=O)F TS71547 [0,1,0,0,0,1|2,0,0]=4 873 B10R1.30 c1c(c(cnc1Cl)Br)C=O TS86358 [0,1,0,0,0,1|2,0,0]=4 874 B10R1.30 c1c(c(cnc1Cl)Cl)C=O TS00660 [0,1,0,0,0,1|2,0,0]=4 875 B10R1.30 c1c(c(cnc1Cl)F)C=O TS07718 [0,1,0,0,0,1|2,0,0]=4 876 B10R1.30 c1c(c(cnc1O)F)C=O TS32991 [0,1,0,0,0,1|2,0,0]=4 877 B10R1.30 c1c(cnc(c1C=O)Br)Br TS68902 [0,1,0,0,0,1|2,0,0]=4 878 B10R1.30 c1c(cnc(c1C=O)Cl)Br TS59716 [0,1,0,0,0,1|2,0,0]=4 879 B10R1.30 c1c(cnc(c1C=O)Cl)F TS59954 [0,1,0,0,0,1|2,0,0]=4 880 B10R1.30 c1c(cnc(c1C=O)F)Br TS90413 [0,1,0,0,0,1|2,0,0]=4 881 B10R1.30 c1c(cnc(c1C=O)F)Cl TS85206 [0,1,0,0,0,1|2,0,0]=4 882 B10R1.30 c1cc(c(cc1Br)C=O)Br TS47247 [0,1,0,0,0,1|2,0,0]=4 883 B10R1.30 c1cc(c(cc1Br)C=O)Cl TS16982 [0,1,0,0,0,1|2,0,0]=4 884 B10R1.30 c1cc(c(cc1Br)C=O)F TS71419 [0,1,0,0,0,1|2,0,0]=4 885 B10R1.30 c1cc(c(cc1Br)C=O)I TS09783 [0,1,0,0,0,1|2,0,0]=4 886 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [0,1,0,0,0,1|2,0,0]=4 887 B10R1.30 c1cc(c(cc1Cl)C=O)Br TS09831 [0,1,0,0,0,1|2,0,0]=4 888 B10R1.30 c1cc(c(cc1Cl)C=O)Cl TS47258 [0,1,0,0,0,1|2,0,0]=4 889 B10R1.30 c1cc(c(cc1Cl)C=O)F TS09839 [0,1,0,0,0,1|2,0,0]=4 890 B10R1.30 c1cc(c(cc1Cl)C=O)N TS00774 [0,1,0,0,0,1|2,0,0]=4 891 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [0,1,0,0,0,1|2,0,0]=4 892 B10R1.30 c1cc(c(cc1F)C=O)Br TS08340 [0,1,0,0,0,1|2,0,0]=4 893 B10R1.30 c1cc(c(cc1F)C=O)Cl TS55244 [0,1,0,0,0,1|2,0,0]=4 894 B10R1.30 c1cc(c(cc1F)C=O)F TS00673 [0,1,0,0,0,1|2,0,0]=4 895 B10R1.30 c1cc(c(cc1F)C=O)I TS01072 [0,1,0,0,0,1|2,0,0]=4 896 B10R1.30 c1cc(c(cc1F)C=O)O TS71536 [0,1,0,0,0,1|2,0,0]=4 897 B10R1.30 c1cc(c(cc1I)C=O)F TS62782 [0,1,0,0,0,1|2,0,0]=4 898 B10R1.30 c1cc(c(cc1I)C=O)O TS01049 [0,1,0,0,0,1|2,0,0]=4 899 B10R1.30 c1cc(c(cc1O)C=O)Br TS08344 [0,1,0,0,0,1|2,0,0]=4 900 B10R1.30 c1cc(c(cc1O)C=O)F TS00999 [0,1,0,0,0,1|2,0,0]=4 901 B10R1.30 c1cc(c(cc1O)C=O)O TS47262 [0,1,0,0,0,1|2,0,0]=4 902 B10R1.30 c1cc(nc(c1F)C=O)Br TS88872 [0,1,0,0,0,1|2,0,0]=4 903 B10R1.30 c1cc(nc(c1F)C=O)Cl TS39360 [0,1,0,0,0,1|2,0,0]=4 904 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,1,0,0,0,1|2,0,0]=4 905 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,1,0,0,0,1|2,0,0]=4 906 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [0,1,0,0,0,1|2,0,0]=4 907 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [0,1,0,0,0,1|2,0,0]=4 908 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [0,1,0,0,0,1|2,0,0]=4 909 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [0,1,0,0,0,1|2,0,0]=4 910 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [0,1,0,0,0,1|2,0,0]=4 911 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,1,0,0,0,1|2,0,0]=4 912 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [0,1,0,0,0,1|2,0,0]=4 913 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [0,1,0,0,0,1|2,0,0]=4 914 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [0,1,0,0,0,1|2,0,0]=4 915 B10R1.113 CC(=O)c1ccnc(n1)N TS06171 [0,1,0,0,0,1|2,0,0]=4 916 B10R1.113 CN1CC(=CC=C1)C(=O)N TS68775 [0,1,0,0,0,1|2,0,0]=4 917 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [0,1,0,0,0,1|2,0,0]=4 918 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,1,0,0,0,1|1,0,0]=3 919 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [0,1,0,0,0,1|1,0,0]=3 920 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] TS55417 [0,1,0,0,0,1|2,0,0]=4 921 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [0,1,0,0,0,1|1,0,0]=3 922 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [0,1,0,0,0,1|1,0,0]=3 923 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [0,1,0,0,0,1|1,0,0]=3 924 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] TS02835 [0,1,0,0,0,1|2,0,0]=4 925 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [0,1,0,0,0,1|2,0,0]=4 926 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [0,1,0,0,0,1|2,0,0]=4 927 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,1,0,0,0,1|1,0,0]=3 928 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [0,1,0,0,0,1|1,0,0]=3 929 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [0,1,0,0,0,1|1,0,0]=3 930 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [0,1,0,0,0,1|1,0,0]=3 931 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [0,1,0,0,0,1|1,1,0]=4 932 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [0,1,0,0,0,1|2,0,0]=4 933 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,1,0,0,0,1|1,0,0]=3 934 B10R1.113 Cc1cccc(n1)[N+](=O)[O-] TS55467 [0,1,0,0,0,1|2,0,0]=4 935 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,1,0,0,0,1|1,0,0]=3 936 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [0,1,0,0,0,1|1,0,0]=3 937 B10R1.113 Cc1ccnc(c1)[N+](=O)[O-] TS71230 [0,1,0,0,0,1|2,0,0]=4 938 B10R1.113 Cc1ccnc(n1)C(=N)N TS86869 [0,1,0,0,0,1|2,0,0]=4 939 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [0,1,0,0,0,1|1,0,0]=3 940 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [0,1,0,0,0,1|1,0,0]=3 941 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [0,1,0,0,0,1|2,0,0]=4 942 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [0,1,0,0,0,1|2,0,0]=4 943 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [0,1,0,0,0,1|2,0,0]=4 944 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [0,1,0,0,0,1|2,0,0]=4 945 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [0,1,0,0,0,1|2,0,0]=4 946 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [0,1,0,0,0,1|2,0,0]=4 947 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [0,1,0,0,0,1|2,0,0]=4 948 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [0,1,0,0,0,1|2,0,0]=4 949 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [0,1,0,0,0,1|2,0,0]=4 950 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [0,1,0,0,0,1|2,0,0]=4 951 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [0,1,0,0,0,1|2,0,0]=4 952 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [0,1,0,0,0,1|2,0,0]=4 953 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [0,1,0,0,0,1|2,0,0]=4 954 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [0,1,0,0,0,1|2,0,0]=4 955 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [0,1,0,0,0,1|2,0,0]=4 956 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [0,1,0,0,0,1|2,0,0]=4 957 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [0,1,0,0,0,1|2,0,0]=4 958 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [0,1,0,0,0,1|2,0,0]=4 959 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [0,1,0,0,0,1|2,0,0]=4 960 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [0,1,0,0,0,1|2,0,0]=4 961 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [0,1,0,0,0,1|2,0,0]=4 962 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [0,1,0,0,0,1|2,0,0]=4 963 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [0,1,0,0,0,1|2,0,0]=4 964 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [0,1,0,0,0,1|2,0,0]=4 965 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [0,1,0,0,0,1|2,0,0]=4 966 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [0,1,0,0,0,1|2,0,0]=4 967 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [0,1,0,0,0,1|2,0,0]=4 968 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [0,1,0,0,0,1|2,0,0]=4 969 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [0,1,0,0,0,1|2,0,0]=4 970 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [0,1,0,0,0,1|2,0,0]=4 971 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [0,1,0,0,0,1|2,0,0]=4 972 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [0,1,0,0,0,1|2,0,0]=4 973 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [0,1,0,0,0,1|2,0,0]=4 974 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [0,1,0,0,0,1|2,0,0]=4 975 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [0,1,0,0,0,1|2,0,0]=4 976 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [0,1,0,0,0,1|2,0,0]=4 977 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [0,1,0,0,0,1|2,0,0]=4 978 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [0,1,0,0,0,1|2,0,0]=4 979 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [0,1,0,0,0,1|2,0,0]=4 980 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [0,1,0,0,0,1|1,0,0]=3 981 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [0,1,0,0,0,1|2,0,0]=4 982 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [0,1,0,0,0,1|2,0,0]=4 983 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [0,1,0,0,0,1|2,0,0]=4 984 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [0,1,0,0,0,1|2,0,0]=4 985 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [0,1,0,0,0,1|2,0,0]=4 986 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [0,1,0,0,0,1|2,0,0]=4 987 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [0,1,0,0,0,1|2,0,0]=4 988 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [0,1,0,0,0,1|2,0,0]=4 989 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,1,0,0,0,1|2,0,0]=4 990 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [0,1,0,0,0,1|2,0,0]=4 991 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [0,1,0,0,0,1|2,0,0]=4 992 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [0,1,0,0,0,1|2,0,0]=4 993 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [0,1,0,0,0,1|2,0,0]=4 994 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [0,1,0,0,0,1|2,0,0]=4 995 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [0,1,0,0,0,1|2,0,0]=4 996 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [0,1,0,0,0,1|2,0,0]=4 997 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [0,1,0,0,0,1|2,0,0]=4 998 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [0,1,0,0,0,1|2,0,0]=4 999 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [0,1,0,0,0,1|2,0,0]=4 1000 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [0,1,0,0,0,1|2,0,0]=4 1001 B10R1.113 c1cnc(nc1C(=O)N)Cl TS88415 [0,1,0,0,0,1|2,0,0]=4 1002 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [0,1,0,0,0,1|2,0,0]=4 1003 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [0,1,0,0,0,1|2,0,0]=4 1004 B10R1.172 C=Cc1cccc(c1)C=O TS05736 [0,1,0,0,0,1|1,0,1]=4 1005 B10R1.172 CCc1cccc(c1)C=O TS36830 [0,1,0,0,0,1|1,0,0]=3 1006 B10R1.172 COc1cc(ccn1)C=O TS55432 [0,1,0,0,0,1|1,0,0]=3 1007 B10R1.172 COc1cc(cnc1)C=O TS37089 [0,1,0,0,0,1|1,0,0]=3 1008 B10R1.172 COc1cccc(c1)C=O TS02819 [0,1,0,0,0,1|1,0,0]=3 1009 B10R1.172 COc1cccc(n1)C=O TS01259 [0,1,0,0,0,1|1,0,0]=3 1010 B10R1.172 CSc1nccc(n1)C=O TS02454 [0,1,0,0,0,1|1,0,0]=3 1011 B10R1.172 c1c(cncc1C#N)C=O TS39352 [0,1,0,0,0,1|1,0,1]=4 1012 B10R1.172 c1c(cncc1C=O)C=O TS05971 [0,1,0,0,0,1|1,0,1]=4 1013 B10R1.172 c1c(cncc1C=O)CN TS06067 [0,1,0,0,0,1|1,0,0]=3 1014 B10R1.172 c1cc(cc(c1)C#N)C=O TS66017 [0,1,0,0,0,1|1,0,1]=4 1015 B10R1.172 c1cc(cc(c1)C=O)C=O TS59648 [0,1,0,0,0,1|1,0,1]=4 1016 B10R1.172 c1cc(cc(c1)C=O)CBr TS65062 [0,1,0,0,0,1|1,0,0]=3 1017 B10R1.172 c1cc(nc(c1)C=O)C=O TS05969 [0,1,0,0,0,1|1,0,1]=4 1018 B10R1.172 c1cc(nc(c1)C=O)CF TS37266 [0,1,0,0,0,1|1,0,0]=3 1019 B10R1.172 c1cnc(cc1C=O)C#N TS00974 [0,1,0,0,0,1|1,0,1]=4 1020 B10R1.172 c1cnc(cc1C=O)CN TS06057 [0,1,0,0,0,1|1,0,0]=3 1021 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [0,2,0,0,0,0|0,0,0]=2 1022 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [0,2,0,0,0,0|1,0,0]=3 1023 B10R1.14 COC(=O)c1ccc(s1)Br TS89180 [0,2,0,0,0,0|1,1,0]=4 1024 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [0,2,0,0,0,0|2,0,0]=4 1025 B10R1.14 Cc1cc(co1)C(=O)OC TS01149 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,2,0,0,0,0|0,0,0]=2 1028 B10R1.14 Cc1ccc(s1)C(=N)NO TS10701 [0,2,0,0,0,0|0,1,1]=4 1029 B10R1.14 Cc1ccc(s1)C(=O)NN TS10710 [0,2,0,0,0,0|0,1,0]=3 1030 B10R1.14 Cc1nc(co1)C(=O)OC TS06566 [0,2,0,0,0,0|2,0,0]=4 1031 B10R1.14 Cc1nc(co1)C(=O)OC TS41497 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.14 Cc1nc(cs1)C(=O)NN TS10856 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [0,2,0,0,0,0|1,0,0]=3 1034 B10R1.14 c1cc(oc1C(=O)NN)Br TS19887 [0,2,0,0,0,0|1,0,0]=3 1035 B10R1.14 c1cc(sc1C(=O)CBr)Br TS00842 [0,2,0,0,0,0|1,1,0]=4 1036 B10R1.14 c1cc(sc1C(=O)CBr)Cl TS59946 [0,2,0,0,0,0|1,1,0]=4 1037 B10R1.14 c1cc(sc1C(=O)CCl)Br TS26406 [0,2,0,0,0,0|1,1,0]=4 1038 B10R1.14 c1cc(sc1C(=O)NN)Br TS49903 [0,2,0,0,0,0|1,1,0]=4 1039 B10R1.14 c1cc(sc1C(=O)NN)Cl TS46192 [0,2,0,0,0,0|1,1,0]=4 1040 B10R1.16 Cc1ccc(o1)CCC=O TS37180 [0,2,0,0,0,0|0,0,0]=2 1041 B10R1.16 Cc1ccc(o1)CSSC TS13563 [0,2,0,0,0,0|0,1,1]=4 1042 B10R1.54 CC(=O)Nc1ccc(s1)Br TS22694 [0,2,0,0,0,0|1,1,0]=4 1043 B10R1.54 CC(=O)Nc1ccc(s1)Cl TS13763 [0,2,0,0,0,0|1,1,0]=4 1044 B10R1.54 Cc1ccc(o1)CN(C)C TS37308 [0,2,0,0,0,0|1,0,1]=4 1045 B10R1.54 Cc1ccn(n1)CC(=O)O TS37360 [0,2,0,0,0,0|2,0,0]=4 1046 B10R1.54 Cc1csc(n1)NC(=O)C TS10706 [0,2,0,0,0,0|2,0,0]=4 1047 B10R1.54 Cc1nc(cs1)CC(=O)N TS10707 [0,2,0,0,0,0|2,0,0]=4 1048 B10R1.54 Cc1nc(cs1)CC(=O)O TS41777 [0,2,0,0,0,0|2,0,0]=4 1049 B10R1.96 COCc1ccc(o1)C=O TS37343 [0,2,0,0,0,0|0,0,0]=2 1050 B10R1.130 Cc1cc([nH]c1C=NO)C TS06272 [0,2,0,0,0,0|1,0,1]=4 1051 B10R1.31 B(c1ccc(o1)C=O)(O)O TS71558 [0,2,0,0,0,0|1,0,0]=3 1052 B10R1.31 B(c1ccc(o1)C=O)(O)O TS93624 [0,2,0,0,0,0|1,0,0]=3 1053 B10R1.31 B(c1ccc(s1)C=O)(O)O TS93794 [0,2,0,0,0,0|1,1,0]=4 1054 B10R1.31 CC(=O)c1ccc(s1)C#N TS10062 [0,2,0,0,0,0|0,1,1]=4 1055 B10R1.31 CC(=O)c1ccc(s1)C=O TS41389 [0,2,0,0,0,0|0,1,0]=3 1056 B10R1.31 CC(C)c1nc(cs1)C=O TS10590 [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.31 CCc1[nH]cc(n1)C(=O)O TS37354 [0,2,0,0,0,0|2,0,0]=4 1058 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [0,2,0,0,0,0|0,0,0]=2 1059 B10R1.31 CCc1ccc(s1)C(=O)C TS41403 [0,2,0,0,0,0|0,1,0]=3 1060 B10R1.31 CCc1ccc(s1)C(=O)O TS41629 [0,2,0,0,0,0|0,1,0]=3 1061 B10R1.31 CN(C)c1ccc(o1)C=O TS06369 [0,2,0,0,0,0|0,0,0]=2 1062 B10R1.31 CN(C)c1ccc(s1)C=O TS10594 [0,2,0,0,0,0|0,1,0]=3 1063 B10R1.31 CN(C)c1ncc(s1)C=O TS10703 [0,2,0,0,0,0|1,1,0]=4 1064 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [0,2,0,0,0,0|0,1,0]=3 1065 B10R1.31 c1c(nc(s1)CO)C(=O)O TS32883 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.31 c1cc([nH]c1C=O)C(=O)O TS06350 [0,2,0,0,0,0|1,0,1]=4 1067 B10R1.31 c1cc(oc1C#N)[N+](=O)[O-] TS06214 [0,2,0,0,0,0|1,0,1]=4 1068 B10R1.31 c1cc(oc1C=O)C(=O)O TS39776 [0,2,0,0,0,0|0,0,1]=3 1069 B10R1.31 c1cc(oc1C=O)[N+](=O)[O-] TS55492 [0,2,0,0,0,0|1,0,0]=3 1070 B10R1.31 c1cc(oc1C=O)[N+](=O)[O-] TS57835 [0,2,0,0,0,0|1,0,0]=3 1071 B10R1.31 c1cc(oc1CN)C(=O)O TS06569 [0,2,0,0,0,0|0,0,0]=2 1072 B10R1.31 c1cc(oc1CO)C(=O)O TS03337 [0,2,0,0,0,0|0,0,0]=2 1073 B10R1.31 c1cc(oc1CO)[N+](=O)[O-] TS40048 [0,2,0,0,0,0|1,0,0]=3 1074 B10R1.31 c1cc(sc1C=O)C(=O)O TS71557 [0,2,0,0,0,0|0,1,1]=4 1075 B10R1.31 c1cc(sc1C=O)[N+](=O)[O-] TS41752 [0,2,0,0,0,0|1,1,0]=4 1076 B10R1.31 c1cc(sc1CN)[N+](=O)[O-] TS10962 [0,2,0,0,0,0|1,1,0]=4 1077 B10R1.35 CCc1[nH]c(c(n1)C)C=O TS06276 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.34 Cc1c([nH]c(c1Br)C)C=O TS19317 [0,2,0,0,0,0|1,0,0]=3 1079 B10R1.34 Cc1c(n(c(n1)C=O)C)C TS08683 [0,2,0,0,0,0|2,0,0]=4 1080 B10R1.59 CC1=CC(=O)N(C1)C(=O)C TS06361 [0,2,0,0,0,0|2,0,0]=4 1081 B10R1.59 Cc1[nH]c(c(n1)C(=O)N)N TS06449 [0,2,0,0,0,0|2,0,0]=4 1082 B10R1.59 Cc1c(nc(o1)C)C(=O)C TS08136 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.59 Cc1c(nc(o1)C)C(=O)Cl TS11181 [0,2,0,0,0,0|2,0,0]=4 1084 B10R1.59 Cc1c(nc(o1)C)C(=O)O TS06568 [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.59 Cc1c(oc(n1)C)C(=O)C TS06376 [0,2,0,0,0,0|1,0,0]=3 1086 B10R1.59 Cc1c(oc(n1)C)C(=O)O TS06572 [0,2,0,0,0,0|1,0,0]=3 1087 B10R1.59 Cc1c(sc(n1)C)C(=O)C TS10596 [0,2,0,0,0,0|1,1,0]=4 1088 B10R1.59 Cc1c(sc(n1)C)C(=O)N TS10709 [0,2,0,0,0,0|1,1,0]=4 1089 B10R1.59 Cc1c(sc(n1)C)C(=O)O TS00649 [0,2,0,0,0,0|1,1,0]=4 1090 B10R1.59 Cc1cc([nH]c1C(=O)C)C TS37113 [0,2,0,0,0,0|1,0,0]=3 1091 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [0,2,0,0,0,0|1,0,0]=3 1092 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O TS07701 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.59 Cc1cc(c(o1)C)C(=O)C TS06252 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.59 Cc1cc(c(o1)C)C(=O)Cl TS11083 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.59 Cc1cc(c(o1)C)C(=O)O TS47273 [0,2,0,0,0,0|2,0,0]=4 1096 B10R1.59 Cc1cc(c(s1)C)C(=O)C TS10466 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.59 Cc1cc(c(s1)C)C(=O)O TS41628 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.59 Cc1cc(c(s1)Cl)C(=O)O TS13944 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.59 Cc1cc(c(s1)N)C(=O)N TS10700 [0,2,0,0,0,0|2,0,0]=4 1100 B10R1.59 Cc1cc(n(n1)C(=O)N)C TS37284 [0,2,0,0,0,0|2,0,0]=4 1101 B10R1.59 Cn1cc(c(n1)C(=O)Cl)Br TS50364 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.59 Cn1cc(c(n1)C(=O)O)Br TS38735 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.59 Cn1cc(c(n1)C(=O)O)Cl TS11332 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.256 Cc1c(sc(c1C=O)C)C TS41404 [0,2,0,0,0,0|2,0,0]=4 1105 B10R1.58 CC(=O)c1cc(c(s1)Cl)Cl TS51957 [0,2,0,0,0,0|1,1,0]=4 1106 B10R1.58 Cc1cc(nn1C)C(=O)Cl TS11088 [0,2,0,0,0,0|2,0,0]=4 1107 B10R1.58 Cc1cc(nn1C)C(=O)O TS06436 [0,2,0,0,0,0|2,0,0]=4 1108 B10R1.58 Cc1cc(oc1C)C(=O)C TS06264 [0,2,0,0,0,0|0,0,0]=2 1109 B10R1.58 Cc1cc(oc1C)C(=O)O TS65110 [0,2,0,0,0,0|0,0,0]=2 1110 B10R1.58 Cc1cc(sc1C)C(=O)O TS10697 [0,2,0,0,0,0|0,1,0]=3 1111 B10R1.58 Cn1c(cc(n1)C(=O)O)N TS87775 [0,2,0,0,0,0|2,0,0]=4 1112 B10R1.58 c1c(c(oc1C(=O)O)Br)Br TS73940 [0,2,0,0,0,0|1,0,0]=3 1113 B10R1.58 c1c(c(sc1C(=O)O)Br)Br TS54880 [0,2,0,0,0,0|1,1,0]=4 1114 B10R1.58 c1c(c(sc1C(=O)O)Br)N TS23388 [0,2,0,0,0,0|1,1,0]=4 1115 B10R1.58 c1c(c(sc1C(=O)O)Cl)Cl TS18406 [0,2,0,0,0,0|1,1,0]=4 1116 B10R1.55 Cc1ccc(o1)C(F)(F)F TS59972 [0,2,0,0,0,0|1,0,1]=4 1117 B10R1.55 Cc1ccc(s1)S(=O)(=O)N TS46322 [0,2,0,0,0,0|1,1,0]=4 1118 B10R1.55 [B-](c1ccc(o1)C)(F)(F)F TS94639 [0,2,0,0,0,0|2,0,0]=4 1119 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [0,2,0,0,0,0|2,0,0]=4 1120 B10R1.194 Cc1ccc(n1C)C(=N)N TS06197 [0,2,0,0,0,0|2,0,0]=4 1121 B10R1.194 Cc1csc(c1Cl)C(=O)Cl TS51955 [0,2,0,0,0,0|2,0,0]=4 1122 B8R1.2 c1cc(nnc1)C=O TS59366 [0,0,1,1,0,0|2,0,0]=4 1123 B8R1.2 c1ccc(cc1)C=O TS43757 [0,0,1,1,0,0|1,0,1]=4 1124 B8R1.2 c1ccnc(c1)C=O TS02469 [0,0,1,1,0,0|1,0,1]=4 1125 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [0,0,1,1,0,0|2,0,0]=4 1126 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [0,0,1,1,0,0|2,0,0]=4 1127 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [0,0,1,1,0,0|2,0,0]=4 1128 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [0,0,1,1,0,0|2,0,0]=4 1129 B8R1.3 Cc1ccc(cc1)Br TS09620 [0,0,1,1,0,0|2,0,0]=4 1130 B8R1.3 Cc1ccc(cc1)C TS04096 [0,0,1,1,0,0|2,0,0]=4 1131 B8R1.3 Cc1ccc(cc1)C TS77016 [0,0,1,1,0,0|2,0,0]=4 1132 B8R1.3 Cc1ccc(cc1)Cl TS39593 [0,0,1,1,0,0|2,0,0]=4 1133 B8R1.3 Cc1ccc(cc1)F TS31829 [0,0,1,1,0,0|2,0,0]=4 1134 B8R1.3 Cc1ccc(cc1)I TS07804 [0,0,1,1,0,0|2,0,0]=4 1135 B8R1.3 Cc1ccc(cc1)I TS67797 [0,0,1,1,0,0|2,0,0]=4 1136 B8R1.3 Cc1ccc(cc1)N TS04112 [0,0,1,1,0,0|2,0,0]=4 1137 B8R1.3 Cc1ccc(cc1)N TS40127 [0,0,1,1,0,0|2,0,0]=4 1138 B8R1.3 Cc1ccc(cc1)O TS05157 [0,0,1,1,0,0|1,0,0]=3 1139 B8R1.3 Cc1ccc(cc1)O TS94395 [0,0,1,1,0,0|1,0,0]=3 1140 B8R1.3 Cc1ccc(cc1)P TS32593 [0,0,1,1,0,0|2,0,0]=4 1141 B8R1.3 Cc1ccc(cc1)S TS39763 [0,0,1,1,0,0|1,1,0]=4 1142 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [0,0,1,1,0,0|2,0,0]=4 1143 B8R1.3 Cc1ccc(cn1)Br TS09799 [0,0,1,1,0,0|2,0,0]=4 1144 B8R1.3 Cc1ccc(cn1)Cl TS71507 [0,0,1,1,0,0|2,0,0]=4 1145 B8R1.3 Cc1ccc(cn1)F TS03302 [0,0,1,1,0,0|2,0,0]=4 1146 B8R1.3 Cc1ccc(cn1)I TS71574 [0,0,1,1,0,0|2,0,0]=4 1147 B8R1.3 Cc1ccc(cn1)N TS65872 [0,0,1,1,0,0|2,0,0]=4 1148 B8R1.3 Cc1ccc(cn1)O TS71569 [0,0,1,1,0,0|1,0,0]=3 1149 B8R1.3 Cc1ccc(nc1)C TS47280 [0,0,1,1,0,0|2,0,0]=4 1150 B8R1.3 Cc1ccc(nc1)O TS01053 [0,0,1,1,0,0|2,0,0]=4 1151 B8R1.3 Cc1ccn(=O)cc1 TS09774 [0,0,1,1,0,0|2,0,0]=4 1152 B8R1.3 Cc1ncc(cn1)O TS02449 [0,0,1,1,0,0|2,0,0]=4 1153 B8R1.3 c1cc(ccc1N)O TS07145 [0,0,1,1,0,0|2,0,0]=4 1154 B8R1.3 c1cc(ccc1N)O TS59709 [0,0,1,1,0,0|2,0,0]=4 1155 B8R1.3 c1cc(ccc1O)Cl TS36377 [0,0,1,1,0,0|2,0,0]=4 1156 B8R1.3 c1cc(ccc1O)Cl TS40947 [0,0,1,1,0,0|2,0,0]=4 1157 B8R1.3 c1cc(ccc1O)F TS33165 [0,0,1,1,0,0|2,0,0]=4 1158 B8R1.3 c1cc(ccc1O)I TS59518 [0,0,1,1,0,0|2,0,0]=4 1159 B8R1.3 c1cc(ccc1O)O TS01676 [0,0,1,1,0,0|2,0,0]=4 1160 B8R1.3 c1cc(ccc1O)O TS02292 [0,0,1,1,0,0|2,0,0]=4 1161 B8R1.3 c1cc(ccc1O)O TS24537 [0,0,1,1,0,0|2,0,0]=4 1162 B8R1.3 c1cc(ccc1O)S TS36138 [0,0,1,1,0,0|2,0,0]=4 1163 B8R1.3 c1cc(ncc1O)Br TS08346 [0,0,1,1,0,0|2,0,0]=4 1164 B8R1.3 c1cc(ncc1O)Cl TS55249 [0,0,1,1,0,0|2,0,0]=4 1165 B8R1.3 c1cc(ncc1O)F TS01000 [0,0,1,1,0,0|2,0,0]=4 1166 B8R1.3 c1cc(ncc1O)I TS23214 [0,0,1,1,0,0|2,0,0]=4 1167 B8R1.3 c1cc(ncc1O)N TS00790 [0,0,1,1,0,0|2,0,0]=4 1168 B8R1.3 c1cc(ncc1O)O TS47263 [0,0,1,1,0,0|2,0,0]=4 1169 B8R1.5 Cc1c(cccn1)O TS87617 [0,0,1,1,0,0|2,0,0]=4 1170 B8R1.5 Cc1ccc[nH]c1=O TS55401 [0,0,1,1,0,0|2,0,0]=4 1171 B8R1.5 Cc1ccccc1O TS31768 [0,0,1,1,0,0|1,0,1]=4 1172 B8R1.5 c1c(c(=O)nc[nH]1)O TS03331 [0,0,1,1,0,0|2,0,0]=4 1173 B8R1.5 c1cc(c(=O)oc1)O TS00155 [0,0,1,1,0,0|1,0,0]=3 1174 B8R1.5 c1cc(c(nc1)Br)O TS08304 [0,0,1,1,0,0|2,0,0]=4 1175 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [0,0,1,1,0,0|2,0,0]=4 1176 B8R1.5 c1cc(c(nc1)F)O TS55326 [0,0,1,1,0,0|2,0,0]=4 1177 B8R1.5 c1cc(c(nc1)I)O TS01068 [0,0,1,1,0,0|2,0,0]=4 1178 B8R1.5 c1cc(c(nc1)N)O TS07282 [0,0,1,1,0,0|2,0,0]=4 1179 B8R1.5 c1cc(c(nc1)N)O TS47366 [0,0,1,1,0,0|2,0,0]=4 1180 B8R1.5 c1cc(c(nc1)O)O TS04242 [0,0,1,1,0,0|1,0,1]=4 1181 B8R1.5 c1cc(c(nc1)S)O TS05265 [0,0,1,1,0,0|1,1,0]=4 1182 B8R1.5 c1ccc(c(c1)N)O TS00817 [0,0,1,1,0,0|1,0,1]=4 1183 B8R1.5 c1ccc(c(c1)N)O TS07143 [0,0,1,1,0,0|1,0,1]=4 1184 B8R1.5 c1ccc(c(c1)N)O TS76832 [0,0,1,1,0,0|1,0,1]=4 1185 B8R1.5 c1ccc(c(c1)O)Br TS00855 [0,0,1,1,0,0|1,0,1]=4 1186 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [0,0,1,1,0,0|1,0,1]=4 1187 B8R1.5 c1ccc(c(c1)O)F TS04282 [0,0,1,1,0,0|1,0,1]=4 1188 B8R1.5 c1ccc(c(c1)O)I TS49691 [0,0,1,1,0,0|1,0,1]=4 1189 B8R1.5 c1ccc(c(c1)O)O TS01670 [0,0,1,1,0,0|0,0,2]=4 1190 B8R1.5 c1ccc(c(c1)O)S TS36136 [0,0,1,1,0,0|0,1,1]=4 1191 B8R1.5 c1ccn(=O)c(c1)O TS04239 [0,0,1,1,0,0|1,0,1]=4 1192 B6R1.5 C=C1CC(=O)O1 TS55716 [1,0,0,0,1,0|0,0,2]=4