0 B8R1.1 C1=CC(=O)O[C@@H]1CO TS32034 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 C1=CC(=O)O[C@H]1CO TS32043 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 CCC1=CCC(=C1)C TS04143 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.1 CC[n+]1ccn(c1)C TS13318 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CC[n+]1ccn(c1)C TS26127 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CC[n+]1ccn(c1)C TS50146 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 CC[n+]1ccn(c1)C TS53944 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CC[n+]1ccn(c1)C TS68355 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CC[n+]1ccn(c1)C TS93305 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 CC[n+]1ccn(c1)C TS93371 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 CC[n+]1ccn(c1)C TS93984 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 CC[n+]1ccn(c1)C TS93985 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CCc1[nH]cc(n1)C TS04212 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 CCc1[nH]cc(n1)C TS45131 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.1 CCc1ccc(s1)C TS36173 [0,0,0,0,0,0|1,1,0]=2 15 B8R1.1 CCc1cnc(s1)N TS36320 [0,0,0,0,0,0|3,1,0]=4 16 B8R1.1 CCc1nc(cs1)C TS36248 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.1 CCc1nnc(o1)N TS04382 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 COc1nc(cs1)Br TS17762 [0,0,0,0,0,0|3,1,0]=4 19 B8R1.1 COc1ncc(s1)Br TS09792 [0,0,0,0,0,0|2,2,0]=4 20 B8R1.1 CSc1[nH]nc(n1)N TS36490 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CSc1nc(cs1)Br TS43733 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.1 CSc1nc(ns1)Br TS43955 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 CSc1nc(ns1)N TS40576 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.1 CSc1nc(ns1)O TS07484 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CSc1nc(on1)N TS36585 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 CSc1nc(sn1)N TS40575 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CSc1nc(sn1)S TS42812 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 CSc1nnc(s1)N TS40574 [0,0,0,0,0,0|3,1,0]=4 29 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 Cc1c[nH]c(n1)CN TS46548 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 Cc1cc(oc1)CN TS89029 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 Cc1cc(sc1)C=O TS36137 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 Cc1cc(sc1)CN TS36247 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.1 Cc1cc(sc1)CO TS05369 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 Cc1ccc(o1)C=O TS29447 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.1 Cc1ccc(o1)CBr TS13614 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.1 Cc1ccc(o1)CN TS31873 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.1 Cc1ccc(o1)CO TS39784 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.1 Cc1ccc(s1)C#N TS86062 [0,0,0,0,0,0|2,1,0]=3 41 B8R1.1 Cc1ccc(s1)C=O TS01147 [0,0,0,0,0,0|2,1,0]=3 42 B8R1.1 Cc1ccc(s1)CN TS36252 [0,0,0,0,0,0|2,1,0]=3 43 B8R1.1 Cc1coc(n1)C=O TS90033 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.1 Cc1csc(n1)C#N TS85639 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.1 Cc1csc(n1)C=O TS86523 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.1 Cc1nc(cs1)C#N TS39286 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.1 Cc1nc(cs1)C=O TS55442 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.1 Cc1nc(cs1)CCl TS15219 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.1 Cc1nc(cs1)CCl TS46478 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.1 Cc1nc(cs1)CN TS36319 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 Cc1ncc(o1)C=O TS02441 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.1 Cc1ncc(s1)OC TS05467 [0,0,0,0,0,0|1,2,0]=3 53 B8R1.1 Cc1nnc(o1)CCl TS47085 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 Cc1nnc(o1)CN TS04379 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.1 Cc1nnc(o1)CN TS40797 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.1 Cn1ccc(n1)C#N TS31756 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.1 Cn1ccc(n1)C=O TS00048 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.1 Cn1ccc(n1)CBr TS13618 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.1 Cn1ccc(n1)CN TS90297 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.1 Cn1ccc(n1)CO TS88082 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.1 c1cc(oc1C=O)Br TS71428 [0,0,0,0,0,0|3,0,0]=3 62 B8R1.1 c1cc(oc1C=O)I TS50041 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.1 c1cc(sc1C#N)Br TS71470 [0,0,0,0,0,0|3,1,0]=4 64 B8R1.1 c1cc(sc1C#N)Cl TS87402 [0,0,0,0,0,0|3,1,0]=4 65 B8R1.1 c1cc(sc1C#N)F TS88137 [0,0,0,0,0,0|3,1,0]=4 66 B8R1.1 c1cc(sc1C=O)Br TS71469 [0,0,0,0,0,0|3,1,0]=4 67 B8R1.1 c1cc(sc1C=O)Cl TS60086 [0,0,0,0,0,0|3,1,0]=4 68 B8R1.1 c1cc(sc1C=O)Cl TS77528 [0,0,0,0,0,0|3,1,0]=4 69 B8R1.1 c1cc(sc1CCl)Cl TS12342 [0,0,0,0,0,0|3,1,0]=4 70 B8R1.1 c1cc(sc1CN)Br TS16792 [0,0,0,0,0,0|3,1,0]=4 71 B8R1.1 c1cc(sc1CN)Cl TS07393 [0,0,0,0,0,0|3,1,0]=4 72 B8R1.1 c1cc(sc1CN)F TS91365 [0,0,0,0,0,0|3,1,0]=4 73 B8R1.1 c1cc(sc1CO)Br TS51585 [0,0,0,0,0,0|3,1,0]=4 74 B8R1.1 c1cc(sc1CO)Cl TS40709 [0,0,0,0,0,0|3,1,0]=4 75 B8R1.1 c1cc(sc1CO)F TS90950 [0,0,0,0,0,0|3,1,0]=4 76 B7R1.1 C#Cc1cccs1 TS59968 [1,0,0,0,0,0|1,1,1]=4 77 B7R1.1 CCc1[nH]ccn1 TS31379 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 CCc1cc[nH]c1 TS03698 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 CCc1ccc[nH]1 TS03700 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 CCc1ccco1 TS31365 [1,0,0,0,0,0|1,0,0]=2 81 B7R1.1 CCc1cccs1 TS04335 [1,0,0,0,0,0|1,1,0]=3 82 B7R1.1 CCc1ccsc1 TS04333 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 CCc1nccs1 TS32027 [1,0,0,0,0,0|2,1,0]=4 84 B7R1.1 CCn1cccc1 TS03701 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.1 CCn1cccn1 TS77180 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 CNc1ccn[nH]1 TS91536 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 CNc1cnco1 TS01626 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.1 CNc1cncs1 TS91086 [1,0,0,0,0,0|2,1,0]=4 89 B7R1.1 CNc1cocn1 TS01625 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 CNc1cocn1 TS71270 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 CNc1ncco1 TS05943 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.1 COc1ccco1 TS03757 [1,0,0,0,0,0|0,1,0]=2 93 B7R1.1 COc1cccs1 TS39279 [1,0,0,0,0,0|0,2,0]=3 94 B7R1.1 COc1ccsc1 TS70649 [1,0,0,0,0,0|2,1,0]=4 95 B7R1.1 CSc1c[nH]cn1 TS04457 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.1 CSc1cccs1 TS05614 [1,0,0,0,0,0|0,1,0]=2 97 B7R1.1 CSc1ccsc1 TS05615 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.1 CSc1nccs1 TS36627 [1,0,0,0,0,0|1,1,0]=3 99 B7R1.1 c1c(ocn1)C#N TS03664 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.1 c1c(ocn1)C=O TS01172 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.1 c1c(ocn1)CBr TS42378 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.1 c1c(ocn1)CCl TS32309 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.1 c1c(ocn1)CO TS91185 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.1 c1cc([nH]c1)C#N TS01671 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.1 c1cc([nH]c1)C=O TS01672 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.1 c1cc([nH]c1)CN TS31377 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.1 c1cc(oc1)C#N TS71874 [1,0,0,0,0,0|2,0,0]=3 108 B7R1.1 c1cc(oc1)C=O TS03712 [1,0,0,0,0,0|2,0,0]=3 109 B7R1.1 c1cc(oc1)CN TS03749 [1,0,0,0,0,0|2,0,0]=3 110 B7R1.1 c1cc(oc1)CO TS03766 [1,0,0,0,0,0|2,0,0]=3 111 B7R1.1 c1cc(oc1)CS TS32087 [1,0,0,0,0,0|2,0,0]=3 112 B7R1.1 c1cc(sc1)C#N TS65659 [1,0,0,0,0,0|2,1,0]=4 113 B7R1.1 c1cc(sc1)C=O TS65660 [1,0,0,0,0,0|2,1,0]=4 114 B7R1.1 c1cc(sc1)CCl TS01778 [1,0,0,0,0,0|2,1,0]=4 115 B7R1.1 c1cc(sc1)CN TS65663 [1,0,0,0,0,0|2,1,0]=4 116 B7R1.1 c1cc(sc1)CO TS32088 [1,0,0,0,0,0|2,1,0]=4 117 B7R1.1 c1cc(sc1)CS TS05613 [1,0,0,0,0,0|2,1,0]=4 118 B7R1.1 c1cnoc1C=O TS03746 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.1 c1cnoc1CN TS01391 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.1 c1cnoc1CN TS56201 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.1 c1cnoc1CO TS31470 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.1 c1coc(n1)C=O TS09404 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.1 c1coc(n1)CCl TS55279 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.1 c1coc(n1)CO TS89980 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.2 C1=CC(=O)NC1=O TS56220 [1,0,0,0,0,0|2,1,0]=4 126 B7R1.2 C1=CC(=O)OC1=O TS03751 [1,0,0,0,0,0|1,1,0]=3 127 B7R1.2 CC1=CCC(=O)O1 TS03764 [1,0,0,0,0,0|0,1,1]=3 128 B7R1.2 Cc1[nH]c(nn1)C TS31398 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.2 Cc1[nH]cc(n1)Br TS70962 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.2 Cc1[nH]cc(n1)I TS08883 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [1,0,0,0,0,0|2,1,0]=4 132 B7R1.2 Cc1c[nH]c(n1)C TS00643 [1,0,0,0,0,0|2,0,0]=3 133 B7R1.2 Cc1cc([nH]c1)C TS00646 [1,0,0,0,0,0|2,0,0]=3 134 B7R1.2 Cc1cc(cs1)Br TS70964 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.2 Cc1cc(n[nH]1)C TS65819 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.2 Cc1cc(on1)C TS08855 [1,0,0,0,0,0|3,0,0]=4 137 B7R1.2 Cc1cc(sc1)C TS04334 [1,0,0,0,0,0|2,0,0]=3 138 B7R1.2 Cc1ccc([nH]1)C TS59928 [1,0,0,0,0,0|1,0,0]=2 139 B7R1.2 Cc1ccc(o1)C TS31370 [1,0,0,0,0,0|0,0,0]=1 140 B7R1.2 Cc1ccc(s1)Br TS55129 [1,0,0,0,0,0|1,1,0]=3 141 B7R1.2 Cc1ccc(s1)C TS04332 [1,0,0,0,0,0|0,1,0]=2 142 B7R1.2 Cc1ccc(s1)Cl TS00916 [1,0,0,0,0,0|1,1,0]=3 143 B7R1.2 Cc1ccc(s1)I TS23773 [1,0,0,0,0,0|1,1,0]=3 144 B7R1.2 Cc1ccn(n1)C TS39993 [1,0,0,0,0,0|2,0,0]=3 145 B7R1.2 Cc1cnc([nH]1)N TS31400 [1,0,0,0,0,0|3,0,0]=4 146 B7R1.2 Cc1cnc([nH]1)N TS36796 [1,0,0,0,0,0|3,0,0]=4 147 B7R1.2 Cc1cnc(s1)Br TS55128 [1,0,0,0,0,0|2,1,0]=4 148 B7R1.2 Cc1cnc(s1)C TS32026 [1,0,0,0,0,0|1,1,0]=3 149 B7R1.2 Cc1cnc(s1)Cl TS60279 [1,0,0,0,0,0|2,1,0]=4 150 B7R1.2 Cc1cnn(c1)C TS31378 [1,0,0,0,0,0|3,0,0]=4 151 B7R1.2 Cc1coc(n1)C TS31396 [1,0,0,0,0,0|2,0,0]=3 152 B7R1.2 Cc1coc(n1)N TS71223 [1,0,0,0,0,0|3,0,0]=4 153 B7R1.2 Cc1csc(n1)Br TS08335 [1,0,0,0,0,0|3,0,0]=4 154 B7R1.2 Cc1csc(n1)C TS00648 [1,0,0,0,0,0|2,0,0]=3 155 B7R1.2 Cc1csc(n1)Cl TS00890 [1,0,0,0,0,0|3,0,0]=4 156 B7R1.2 Cc1csc(n1)N TS47415 [1,0,0,0,0,0|3,0,0]=4 157 B7R1.2 Cc1csc(n1)N TS47417 [1,0,0,0,0,0|3,0,0]=4 158 B7R1.2 Cc1csc(n1)S TS36626 [1,0,0,0,0,0|2,0,0]=3 159 B7R1.2 Cc1n[nH]c(=O)o1 TS31491 [1,0,0,0,0,0|2,1,0]=4 160 B7R1.2 Cc1nc(cs1)Br TS46374 [1,0,0,0,0,0|3,0,0]=4 161 B7R1.2 Cc1nnc(o1)N TS09106 [1,0,0,0,0,0|3,0,0]=4 162 B7R1.2 Cc1nnc(s1)C TS04456 [1,0,0,0,0,0|2,1,0]=4 163 B7R1.2 Cc1nnc(s1)S TS05770 [1,0,0,0,0,0|2,1,0]=4 164 B7R1.2 Cn1cc[n+](c1)C TS07882 [1,0,0,0,0,0|3,0,0]=4 165 B7R1.2 Cn1cc[n+](c1)C TS94116 [1,0,0,0,0,0|3,0,0]=4 166 B7R1.2 Cn1ccc(n1)Br TS16852 [1,0,0,0,0,0|3,0,0]=4 167 B7R1.2 Cn1ccc(n1)I TS89582 [1,0,0,0,0,0|3,0,0]=4 168 B7R1.2 Cn1ccc(n1)N TS00475 [1,0,0,0,0,0|3,0,0]=4 169 B7R1.2 Cn1ccc(n1)N TS72253 [1,0,0,0,0,0|3,0,0]=4 170 B7R1.2 c1c(sc(n1)S)N TS05769 [1,0,0,0,0,0|2,1,0]=4 171 B7R1.2 c1cc(oc1Br)Br TS52248 [1,0,0,0,0,0|2,0,0]=3 172 B7R1.2 c1cc(sc1Br)Br TS39628 [1,0,0,0,0,0|2,1,0]=4 173 B7R1.2 c1cc(sc1Cl)Br TS18509 [1,0,0,0,0,0|2,1,0]=4 174 B7R1.2 c1cc(sc1Cl)Cl TS10273 [1,0,0,0,0,0|2,1,0]=4 175 B7R1.2 c1cc(sc1Cl)[Zn+] TS68672 [1,0,0,0,0,0|2,1,0]=4 176 B7R1.2 c1cc(sc1I)I TS63999 [1,0,0,0,0,0|2,1,0]=4 177 B9R1.7 CCOC1C=CC(=O)O1 TS36280 [0,1,0,0,0,0|1,1,1]=4 178 B9R1.7 Cc1c[nH]c(n1)CCN TS85318 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.7 Cc1ccc(o1)C=NO TS05082 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.7 Cc1nc(cs1)CCN TS37628 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.7 Cc1nc(cs1)CNC TS37629 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.7 c1cc(sc1CCN)Br TS26924 [0,1,0,0,0,0|2,1,0]=4 183 B9R1.7 c1cc(sc1CCN)Cl TS53962 [0,1,0,0,0,0|2,1,0]=4 184 B9R1.21 CCc1ccc(o1)C=O TS32598 [0,1,0,0,0,0|1,0,1]=3 185 B9R1.21 CCc1ccc(s1)C=O TS06487 [0,1,0,0,0,0|1,1,1]=4 186 B9R1.21 CCc1ccc(s1)CC TS37431 [0,1,0,0,0,0|1,1,0]=3 187 B9R1.21 CCc1cnc(s1)CC TS06618 [0,1,0,0,0,0|2,1,0]=4 188 B9R1.21 COC1C=CC(O1)OC TS05529 [0,1,0,0,0,0|0,1,2]=4 189 B9R1.21 CSc1ccc([nH]1)C=O TS37496 [0,1,0,0,0,0|1,0,1]=3 190 B9R1.21 CSc1ccc(s1)C#N TS41534 [0,1,0,0,0,0|0,1,1]=3 191 B9R1.21 CSc1ccc(s1)C=O TS11041 [0,1,0,0,0,0|0,1,1]=3 192 B9R1.21 CSc1nnc(s1)SC TS14282 [0,1,0,0,0,0|2,1,0]=4 193 B9R1.21 c1cc(oc1C=O)C=O TS47261 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.21 c1cc(oc1CCl)C=O TS40262 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.21 c1cc(oc1CN)C#N TS11089 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.21 c1cc(oc1CN)C#N TS32494 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.21 c1cc(oc1CO)C=O TS71320 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.21 c1cc(oc1CO)CO TS36272 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.21 c1cc(sc1CN)C#N TS06296 [0,1,0,0,0,0|2,1,0]=4 200 B9R1.21 c1cc(sc1CN)C#N TS45881 [0,1,0,0,0,0|2,1,0]=4 201 B9R1.22 CCn1c(cc(n1)C)C TS77178 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.22 CCn1c(cc(n1)C)N TS36072 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.22 Cc1c(oc(n1)C)C=O TS05081 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.22 Cc1cc([nH]c1C#N)C TS04811 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.22 Cc1cc([nH]c1C=O)C TS02202 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.22 Cc1cc(c(s1)C#N)N TS06291 [0,1,0,0,0,0|2,1,0]=4 207 B9R1.22 Cc1cc(c(s1)C=O)Br TS38754 [0,1,0,0,0,0|2,1,0]=4 208 B9R1.23 CCc1nc(c(o1)C)C TS36061 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.23 CCn1cc(c(n1)C)N TS90681 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.23 Cc1c(cc(s1)C=O)Br TS38752 [0,1,0,0,0,0|2,1,0]=4 211 B9R1.23 Cc1cc(nn1C)NC TS05098 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.23 Cc1cc(oc1C)C=O TS32597 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.23 Cn1c(nc(n1)SC)N TS06966 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.23 c1c(oc(c1Br)Br)C=O TS16347 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.35 B(c1ccc(o1)C)(O)O TS01154 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.35 B(c1ccc(s1)C)(O)O TS01146 [0,1,0,0,0,0|2,1,0]=4 217 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [0,1,0,0,0,0|2,1,0]=4 219 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [0,1,0,0,0,0|2,1,0]=4 220 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [0,1,0,0,0,0|2,1,0]=4 221 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.35 Cc1[nH]cc(n1)C(=O)C TS05016 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,1,0,0,0,0|1,0,0]=2 226 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,1,0,0,0,0|1,1,0]=3 229 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [0,1,0,0,0,0|2,1,0]=4 230 B9R1.35 Cc1csc(n1)C(C)C TS06617 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.35 Cc1nc(cs1)C(C)N TS37630 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.35 c1cc(oc1C(=O)Cl)Br TS20789 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.35 c1cc(oc1[N+](=O)[O-])Br TS17400 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.132 Cc1ccc(n1C)C#N TS04814 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.2 CC(=O)OC(=C)C#N TS04238 [0,0,1,0,0,0|3,0,0]=4 239 B7R0.3 CC=CCC(C)C=C TS31844 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.3 CCC(C=CC=O)O TS04431 [0,0,1,0,0,0|2,0,1]=4 241 B7R0.3 CCC=CC(=O)OC TS56262 [0,0,1,0,0,0|0,1,2]=4 242 B7R0.3 CCCOC(=O)C=C TS04429 [0,0,1,0,0,0|2,0,1]=4 243 B7R0.3 COC(=O)C=CC=C TS31908 [0,0,1,0,0,0|0,1,2]=4 244 B7R0.3 COC(=O)C=CC=O TS04424 [0,0,1,0,0,0|1,1,1]=4 245 B7R0.3 COC=CC(=O)OC TS32188 [0,0,1,0,0,0|1,1,1]=4 246 B7R0.4 CC=CC=CC(=O)C TS31841 [0,0,1,0,0,0|1,0,1]=3 247 B7R0.4 CC=CC=CC(=O)O TS31914 [0,0,1,0,0,0|2,0,0]=3 248 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [0,0,1,0,0,0|2,0,1]=4 249 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [0,0,1,0,0,0|2,0,1]=4 250 B7R0.4 CCC=CCC(=O)O TS04425 [0,0,1,0,0,0|2,0,1]=4 251 B7R0.4 CCCC=CC(=O)C TS31936 [0,0,1,0,0,0|1,0,2]=4 252 B7R0.4 CCCC=CC(=O)O TS59547 [0,0,1,0,0,0|2,0,1]=4 253 B7R0.4 CCOC=CC(=O)O TS32181 [0,0,1,0,0,0|3,0,0]=4 254 B9R1.1 CCc1ccc(cc1)Br TS01944 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.1 CCc1ccc(cc1)Cl TS37449 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.1 CCc1ccc(cc1)F TS05030 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.1 CCc1ccc(cc1)I TS25158 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.1 CCc1ccc(cc1)N TS04870 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.1 CCc1ccc(cc1)O TS04905 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.1 CCc1ccc(cc1)S TS06298 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [0,0,0,0,0,1|3,0,0]=4 262 B9R1.1 CCc1ccc(nc1)C TS32477 [0,0,0,0,0,1|2,0,0]=3 263 B9R1.1 CCc1ccc(nc1)O TS04959 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.1 CNc1ccc(cc1)Br TS48830 [0,0,0,0,0,1|3,0,0]=4 265 B9R1.1 CNc1ccc(cc1)Cl TS37534 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.1 CNc1ccc(cc1)F TS36055 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.1 CNc1ccc(cc1)I TS32640 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.1 CNc1ccc(cc1)N TS04921 [0,0,0,0,0,1|3,0,0]=4 269 B9R1.1 CNc1ccc(cc1)N TS17998 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.1 CNc1ccc(cc1)O TS04963 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.1 CNc1ccc(cc1)O TS78698 [0,0,0,0,0,1|3,0,0]=4 272 B9R1.1 CNc1ccc(nc1)Br TS49023 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.1 COc1ccc(cc1)Cl TS37682 [0,0,0,0,0,1|2,1,0]=4 274 B9R1.1 COc1ccc(cc1)F TS32969 [0,0,0,0,0,1|2,1,0]=4 275 B9R1.1 COc1ccc(cc1)I TS59516 [0,0,0,0,0,1|2,1,0]=4 276 B9R1.1 COc1ccc(cc1)N TS01634 [0,0,0,0,0,1|2,1,0]=4 277 B9R1.1 COc1ccc(cc1)N TS11193 [0,0,0,0,0,1|2,1,0]=4 278 B9R1.1 COc1ccc(cc1)N TS93025 [0,0,0,0,0,1|2,1,0]=4 279 B9R1.1 COc1ccc(cc1)O TS02083 [0,0,0,0,0,1|2,1,0]=4 280 B9R1.1 COc1ccc(cc1)S TS06486 [0,0,0,0,0,1|2,1,0]=4 281 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [0,0,0,0,0,1|2,1,0]=4 282 B9R1.1 COc1ccc(cn1)Br TS09790 [0,0,0,0,0,1|2,1,0]=4 283 B9R1.1 COc1ccc(cn1)Cl TS71503 [0,0,0,0,0,1|2,1,0]=4 284 B9R1.1 COc1ccc(cn1)F TS71544 [0,0,0,0,0,1|2,1,0]=4 285 B9R1.1 COc1ccc(cn1)I TS01075 [0,0,0,0,0,1|2,1,0]=4 286 B9R1.1 COc1ccc(cn1)N TS05017 [0,0,0,0,0,1|2,1,0]=4 287 B9R1.1 COc1ccc(cn1)O TS71568 [0,0,0,0,0,1|2,1,0]=4 288 B9R1.1 COc1ccc(nc1)Br TS08354 [0,0,0,0,0,1|2,1,0]=4 289 B9R1.1 COc1ccc(nc1)Cl TS00910 [0,0,0,0,0,1|2,1,0]=4 290 B9R1.1 COc1ccc(nc1)N TS47440 [0,0,0,0,0,1|2,1,0]=4 291 B9R1.1 COc1ccc(nn1)Cl TS02707 [0,0,0,0,0,1|2,1,0]=4 292 B9R1.1 COc1ccc(nn1)N TS65871 [0,0,0,0,0,1|2,1,0]=4 293 B9R1.1 CSc1ccc(cc1)Br TS09618 [0,0,0,0,0,1|2,0,0]=3 294 B9R1.1 CSc1ccc(cc1)Cl TS42001 [0,0,0,0,0,1|2,0,0]=3 295 B9R1.1 CSc1ccc(cc1)F TS06687 [0,0,0,0,0,1|2,0,0]=3 296 B9R1.1 CSc1ccc(cc1)I TS27986 [0,0,0,0,0,1|2,0,0]=3 297 B9R1.1 CSc1ccc(cc1)N TS06394 [0,0,0,0,0,1|2,0,0]=3 298 B9R1.1 CSc1ccc(cc1)O TS37396 [0,0,0,0,0,1|2,0,0]=3 299 B9R1.1 CSc1ccc(cc1)S TS41710 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [0,0,0,0,0,1|2,0,0]=3 301 B9R1.1 CSc1ccc(cn1)Br TS71433 [0,0,0,0,0,1|2,0,0]=3 302 B9R1.1 CSc1ccc(nc1)N TS37399 [0,0,0,0,0,1|2,0,0]=3 303 B9R1.1 CSc1ncc(cn1)Br TS38756 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.1 Cc1ccc(cc1)C#C TS32874 [0,0,0,0,0,1|2,0,1]=4 305 B9R1.1 Cc1ccc(cc1)C#N TS04679 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.1 Cc1ccc(cc1)C=C TS71237 [0,0,0,0,0,1|2,0,1]=4 307 B9R1.1 Cc1ccc(cc1)C=O TS09079 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.1 Cc1ccc(cc1)CBr TS03170 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.1 Cc1ccc(cc1)CCl TS37455 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.1 Cc1ccc(cc1)CN TS32473 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.1 Cc1ccc(cc1)CO TS04902 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.1 Cc1ccc(cc1)CS TS06300 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.1 Cc1ccc(cc1)NC TS32470 [0,0,0,0,0,1|2,0,0]=3 314 B9R1.1 Cc1ccc(cc1)NN TS01655 [0,0,0,0,0,1|3,0,0]=4 315 B9R1.1 Cc1ccc(cc1)NN TS23082 [0,0,0,0,0,1|3,0,0]=4 316 B9R1.1 Cc1ccc(cc1)OC TS04894 [0,0,0,0,0,1|1,1,0]=3 317 B9R1.1 Cc1ccc(cc1)SC TS71244 [0,0,0,0,0,1|1,0,0]=2 318 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [0,0,0,0,0,1|3,0,0]=4 320 B9R1.1 Cc1ccc(cn1)C#N TS03281 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.1 Cc1ccc(cn1)C=C TS55464 [0,0,0,0,0,1|2,0,1]=4 322 B9R1.1 Cc1ccc(cn1)C=O TS01266 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.1 Cc1ccc(cn1)CN TS88042 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.1 Cc1ccc(cn1)NN TS32994 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.1 Cc1ccc(cn1)NN TS94799 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.1 Cc1ccc(cn1)OC TS04979 [0,0,0,0,0,1|1,1,0]=3 327 B9R1.1 Cc1ccc(nc1)C#N TS55297 [0,0,0,0,0,1|3,0,0]=4 328 B9R1.1 Cc1ccc(nc1)C=O TS01160 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.1 Cc1ccc(nc1)CN TS08057 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.1 Cc1ccc(nn1)C#N TS88312 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.1 Cc1ccc(nn1)CN TS87880 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.2 CCc1cc(cnc1)Br TS91617 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.2 CCc1cccc(c1)Br TS32764 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.2 CCc1cccc(c1)C TS04835 [0,0,0,0,0,1|2,0,0]=3 335 B9R1.2 CCc1cccc(c1)N TS32463 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.2 CCc1cccc(c1)O TS04895 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.2 CCc1cccc(n1)C TS32466 [0,0,0,0,0,1|2,0,0]=3 338 B9R1.2 CCc1cccc(n1)N TS60098 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.2 CCc1ccnc(c1)Br TS48833 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.2 CCc1ccnc(c1)C TS32469 [0,0,0,0,0,1|2,0,0]=3 341 B9R1.2 CCc1ccnc(c1)N TS71108 [0,0,0,0,0,1|3,0,0]=4 342 B9R1.2 CNc1cc(ccn1)Cl TS37689 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.2 CNc1cccc(c1)Br TS48829 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.2 CNc1cccc(c1)Cl TS37535 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.2 CNc1cccc(c1)F TS70598 [0,0,0,0,0,1|3,0,0]=4 346 B9R1.2 CNc1cccc(n1)Cl TS94212 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.2 CNc1ccnc(n1)Cl TS40122 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.2 CNc1ccnc(n1)N TS05024 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.2 CNc1nccc(n1)Cl TS59613 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.2 COc1cc(ccn1)Cl TS03053 [0,0,0,0,0,1|2,1,0]=4 351 B9R1.2 COc1cc(ccn1)F TS05258 [0,0,0,0,0,1|2,1,0]=4 352 B9R1.2 COc1cc(ccn1)I TS71184 [0,0,0,0,0,1|2,1,0]=4 353 B9R1.2 COc1cc(ccn1)N TS02966 [0,0,0,0,0,1|2,1,0]=4 354 B9R1.2 COc1cc(cnc1)Br TS65932 [0,0,0,0,0,1|2,1,0]=4 355 B9R1.2 COc1cc(cnc1)Cl TS06905 [0,0,0,0,0,1|2,1,0]=4 356 B9R1.2 COc1cc(cnc1)I TS25666 [0,0,0,0,0,1|2,1,0]=4 357 B9R1.2 COc1cc(cnc1)N TS55470 [0,0,0,0,0,1|2,1,0]=4 358 B9R1.2 COc1cc(cnc1)N TS89352 [0,0,0,0,0,1|2,1,0]=4 359 B9R1.2 COc1cc(cnc1)O TS55469 [0,0,0,0,0,1|2,1,0]=4 360 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [0,0,0,0,0,1|2,1,0]=4 361 B9R1.2 COc1cccc(c1)Br TS00028 [0,0,0,0,0,1|2,1,0]=4 362 B9R1.2 COc1cccc(c1)Cl TS37686 [0,0,0,0,0,1|2,1,0]=4 363 B9R1.2 COc1cccc(c1)F TS70591 [0,0,0,0,0,1|2,1,0]=4 364 B9R1.2 COc1cccc(c1)I TS39445 [0,0,0,0,0,1|2,1,0]=4 365 B9R1.2 COc1cccc(c1)N TS02081 [0,0,0,0,0,1|2,1,0]=4 366 B9R1.2 COc1cccc(c1)N TS11191 [0,0,0,0,0,1|2,1,0]=4 367 B9R1.2 COc1cccc(c1)O TS39714 [0,0,0,0,0,1|2,1,0]=4 368 B9R1.2 COc1cccc(c1)S TS70650 [0,0,0,0,0,1|2,1,0]=4 369 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [0,0,0,0,0,1|2,1,0]=4 370 B9R1.2 COc1cccc(n1)Br TS08366 [0,0,0,0,0,1|2,1,0]=4 371 B9R1.2 COc1cccc(n1)Cl TS55270 [0,0,0,0,0,1|2,1,0]=4 372 B9R1.2 COc1cccc(n1)I TS56597 [0,0,0,0,0,1|2,1,0]=4 373 B9R1.2 COc1cccc(n1)O TS05074 [0,0,0,0,0,1|2,1,0]=4 374 B9R1.2 COc1ccnc(c1)Br TS08328 [0,0,0,0,0,1|2,1,0]=4 375 B9R1.2 COc1ccnc(c1)Cl TS55226 [0,0,0,0,0,1|2,1,0]=4 376 B9R1.2 COc1ccnc(c1)N TS47406 [0,0,0,0,0,1|2,1,0]=4 377 B9R1.2 COc1ccnc(n1)Cl TS55227 [0,0,0,0,0,1|2,1,0]=4 378 B9R1.2 COc1ccnc(n1)I TS01070 [0,0,0,0,0,1|2,1,0]=4 379 B9R1.2 COc1ccnc(n1)N TS47407 [0,0,0,0,0,1|2,1,0]=4 380 B9R1.2 COc1cncc(n1)Cl TS90325 [0,0,0,0,0,1|2,1,0]=4 381 B9R1.2 COc1nccc(n1)Cl TS40269 [0,0,0,0,0,1|2,1,0]=4 382 B9R1.2 COc1nccc(n1)N TS90234 [0,0,0,0,0,1|2,1,0]=4 383 B9R1.2 CSc1[nH]c(=O)ccn1 TS89161 [0,0,0,0,0,1|2,0,0]=3 384 B9R1.2 CSc1cc(ncn1)Cl TS09667 [0,0,0,0,0,1|3,0,0]=4 385 B9R1.2 CSc1cccc(c1)Br TS60340 [0,0,0,0,0,1|2,0,0]=3 386 B9R1.2 CSc1cccc(c1)Cl TS42003 [0,0,0,0,0,1|2,0,0]=3 387 B9R1.2 CSc1cccc(c1)F TS60012 [0,0,0,0,0,1|2,0,0]=3 388 B9R1.2 CSc1cccc(c1)I TS27987 [0,0,0,0,0,1|2,0,0]=3 389 B9R1.2 CSc1cccc(c1)N TS02674 [0,0,0,0,0,1|2,0,0]=3 390 B9R1.2 CSc1ccnc(c1)Cl TS11198 [0,0,0,0,0,1|2,0,0]=3 391 B9R1.2 CSc1ccnc(n1)Cl TS11338 [0,0,0,0,0,1|2,0,0]=3 392 B9R1.2 CSc1nccc(n1)Cl TS71017 [0,0,0,0,0,1|2,0,0]=3 393 B9R1.2 CSc1nccc(n1)I TS71187 [0,0,0,0,0,1|2,0,0]=3 394 B9R1.2 CSc1nccc(n1)N TS37508 [0,0,0,0,0,1|2,0,0]=3 395 B9R1.2 CSc1nccc(n1)O TS65608 [0,0,0,0,0,1|2,0,0]=3 396 B9R1.2 Cc1cc(ccn1)C#N TS04726 [0,0,0,0,0,1|3,0,0]=4 397 B9R1.2 Cc1cc(ccn1)C=O TS02448 [0,0,0,0,0,1|3,0,0]=4 398 B9R1.2 Cc1cc(cnc1)C#N TS46458 [0,0,0,0,0,1|3,0,0]=4 399 B9R1.2 Cc1cc(cnc1)C=O TS01158 [0,0,0,0,0,1|3,0,0]=4 400 B9R1.2 Cc1cc(cnc1)CCl TS46377 [0,0,0,0,0,1|3,0,0]=4 401 B9R1.2 Cc1cc(cnc1)CO TS04972 [0,0,0,0,0,1|3,0,0]=4 402 B9R1.2 Cc1cc(cnc1)OC TS04960 [0,0,0,0,0,1|1,1,0]=3 403 B9R1.2 Cc1cccc(c1)C#C TS32229 [0,0,0,0,0,1|2,0,1]=4 404 B9R1.2 Cc1cccc(c1)C#N TS02843 [0,0,0,0,0,1|3,0,0]=4 405 B9R1.2 Cc1cccc(c1)C=C TS70680 [0,0,0,0,0,1|2,0,1]=4 406 B9R1.2 Cc1cccc(c1)CBr TS00037 [0,0,0,0,0,1|3,0,0]=4 407 B9R1.2 Cc1cccc(c1)CCl TS37460 [0,0,0,0,0,1|3,0,0]=4 408 B9R1.2 Cc1cccc(c1)CN TS04866 [0,0,0,0,0,1|3,0,0]=4 409 B9R1.2 Cc1cccc(c1)CO TS04903 [0,0,0,0,0,1|3,0,0]=4 410 B9R1.2 Cc1cccc(c1)CS TS06306 [0,0,0,0,0,1|3,0,0]=4 411 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [0,0,0,0,0,1|3,0,0]=4 412 B9R1.2 Cc1cccc(c1)NC TS32467 [0,0,0,0,0,1|2,0,0]=3 413 B9R1.2 Cc1cccc(c1)NN TS04918 [0,0,0,0,0,1|3,0,0]=4 414 B9R1.2 Cc1cccc(c1)NN TS41997 [0,0,0,0,0,1|3,0,0]=4 415 B9R1.2 Cc1cccc(c1)OC TS32509 [0,0,0,0,0,1|1,1,0]=3 416 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [0,0,0,0,0,1|3,0,0]=4 417 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [0,0,0,0,0,1|3,0,0]=4 418 B9R1.2 Cc1cccc(n1)C#N TS55295 [0,0,0,0,0,1|3,0,0]=4 419 B9R1.2 Cc1cccc(n1)C=C TS04794 [0,0,0,0,0,1|2,0,1]=4 420 B9R1.2 Cc1cccc(n1)C=O TS85261 [0,0,0,0,0,1|3,0,0]=4 421 B9R1.2 Cc1cccc(n1)CBr TS30360 [0,0,0,0,0,1|3,0,0]=4 422 B9R1.2 Cc1cccc(n1)CBr TS48832 [0,0,0,0,0,1|3,0,0]=4 423 B9R1.2 Cc1cccc(n1)CCl TS46378 [0,0,0,0,0,1|3,0,0]=4 424 B9R1.2 Cc1cccc(n1)CN TS01962 [0,0,0,0,0,1|3,0,0]=4 425 B9R1.2 Cc1cccc(n1)CO TS04961 [0,0,0,0,0,1|3,0,0]=4 426 B9R1.2 Cc1cccc(n1)OC TS00087 [0,0,0,0,0,1|1,1,0]=3 427 B9R1.2 Cc1ccnc(c1)C#N TS55293 [0,0,0,0,0,1|3,0,0]=4 428 B9R1.2 Cc1ccnc(c1)C=O TS03178 [0,0,0,0,0,1|3,0,0]=4 429 B9R1.2 Cc1ccnc(c1)CN TS04912 [0,0,0,0,0,1|3,0,0]=4 430 B9R1.2 Cc1ccnc(c1)OC TS04955 [0,0,0,0,0,1|1,1,0]=3 431 B9R1.2 Cc1ccnc(n1)C#N TS91306 [0,0,0,0,0,1|3,0,0]=4 432 B9R1.2 Cc1ccnc(n1)C=O TS90032 [0,0,0,0,0,1|3,0,0]=4 433 B9R1.2 Cc1ccnc(n1)CCl TS89308 [0,0,0,0,0,1|3,0,0]=4 434 B9R1.2 Cc1ccnc(n1)CN TS87070 [0,0,0,0,0,1|3,0,0]=4 435 B9R1.2 Cc1ccnc(n1)CO TS89016 [0,0,0,0,0,1|3,0,0]=4 436 B9R1.2 Cc1ccnc(n1)SC TS85152 [0,0,0,0,0,1|1,0,0]=2 437 B9R1.2 Cc1nccc(n1)C=O TS02450 [0,0,0,0,0,1|3,0,0]=4 438 B6R0.1 C=CC(=O)OC=C TS03768 [1,0,1,0,0,0|0,1,1]=4 439 B6R0.1 CC=CC(=CC)C TS31385 [1,0,1,0,0,0|1,0,1]=4 440 B6R0.1 CC=CC(=O)OC TS56315 [1,0,1,0,0,0|0,1,1]=4 441 B6R0.1 CCC(=O)C=CC TS31436 [1,0,1,0,0,0|1,0,1]=4 442 B6R0.1 CCC(=O)OC=C TS31498 [1,0,1,0,0,0|2,0,0]=4 443 B6R0.1 CCC(C=CC)O TS03868 [1,0,1,0,0,0|1,0,1]=4 444 B6R0.1 CCC=C(C)C=O TS03779 [1,0,1,0,0,0|2,0,0]=4 445 B6R0.1 CCOC(=O)C=C TS33216 [1,0,1,0,0,0|0,1,1]=4 446 B6R0.2 CC(=C)OC(=O)C TS03841 [1,0,1,0,0,0|1,0,0]=3 447 B6R0.2 CC(=CC(=C)C)C TS03733 [1,0,1,0,0,0|1,0,1]=4 448 B6R0.2 CC(=O)OC(=O)C TS31583 [1,0,1,0,0,0|2,0,0]=4 449 B6R0.4 C=CC=CC(=O)O TS03760 [1,0,1,0,0,0|0,1,1]=4 450 B6R0.4 CC(=O)C=COC TS03850 [1,0,1,0,0,0|0,1,1]=4 451 B6R0.4 CCC=CC(=O)C TS31424 [1,0,1,0,0,0|0,0,2]=4 452 B6R0.4 CCC=CC(=O)O TS03448 [1,0,1,0,0,0|0,1,1]=4 453 B6R0.4 CCC=CC(=O)O TS31503 [1,0,1,0,0,0|0,1,1]=4 454 B6R0.6 CC=CC=CC#N TS71880 [1,0,1,0,0,0|2,0,0]=4 455 B6R0.6 CC=CC=CC=O TS31368 [1,0,1,0,0,0|1,0,1]=4 456 B6R0.6 CC=CC=CCO TS31427 [1,0,1,0,0,0|1,0,1]=4 457 B6R0.9 CCC(=CC)C=O TS31448 [1,0,1,0,0,0|2,0,0]=4 458 B6R0.9 COC(C=C)OC TS31593 [1,0,1,0,0,0|0,1,1]=4 459 B6R1.2 C1C=CC(=O)O1 TS03476 [2,0,0,0,0,0|0,1,1]=4 460 B6R1.2 CC1=CCCO1 TS03492 [2,0,0,0,0,0|0,0,2]=4 461 B6R1.2 Cc1[nH]ccn1 TS59974 [2,0,0,0,0,0|2,0,0]=4 462 B6R1.2 Cc1c[nH]cn1 TS03464 [2,0,0,0,0,0|2,0,0]=4 463 B6R1.2 Cc1cc[nH]c1 TS70679 [2,0,0,0,0,0|2,0,0]=4 464 B6R1.2 Cc1cc[nH]n1 TS70653 [2,0,0,0,0,0|2,0,0]=4 465 B6R1.2 Cc1ccco1 TS03463 [2,0,0,0,0,0|0,0,0]=2 466 B6R1.2 Cc1cccs1 TS65607 [2,0,0,0,0,0|0,1,0]=3 467 B6R1.2 Cc1ccno1 TS71696 [2,0,0,0,0,0|1,0,0]=3 468 B6R1.2 Cc1ccoc1 TS02846 [2,0,0,0,0,0|2,0,0]=4 469 B6R1.2 Cc1ccsc1 TS70682 [2,0,0,0,0,0|2,0,0]=4 470 B6R1.2 Cc1ccsn1 TS39717 [2,0,0,0,0,0|2,0,0]=4 471 B6R1.2 Cc1cncs1 TS33187 [2,0,0,0,0,0|1,1,0]=4 472 B6R1.2 Cc1cscn1 TS71246 [2,0,0,0,0,0|2,0,0]=4 473 B6R1.2 Cn1cccc1 TS03445 [2,0,0,0,0,0|2,0,0]=4 474 B6R1.2 Cn1cccn1 TS47002 [2,0,0,0,0,0|2,0,0]=4 475 B6R1.2 c1cc(oc1)Br TS55169 [2,0,0,0,0,0|1,0,0]=3 476 B6R1.2 c1cc(sc1)Br TS55181 [2,0,0,0,0,0|1,1,0]=4 477 B6R1.2 c1cc(sc1)Cl TS04771 [2,0,0,0,0,0|1,1,0]=4 478 B6R1.2 c1cc(sc1)F TS01041 [2,0,0,0,0,0|1,1,0]=4 479 B6R1.2 c1cc(sc1)I TS07727 [2,0,0,0,0,0|1,1,0]=4 480 B6R1.2 c1cc(sc1)S TS39686 [2,0,0,0,0,0|0,1,0]=3 481 B6R1.2 c1cc(sc1)[Zn+] TS24604 [2,0,0,0,0,0|1,1,0]=4 482 B6R1.2 c1cnc([nH]1)S TS03856 [2,0,0,0,0,0|2,0,0]=4 483 B6R1.2 c1cnoc1N TS85224 [2,0,0,0,0,0|2,0,0]=4 484 B6R1.2 c1coc(=O)o1 TS16828 [2,0,0,0,0,0|1,1,0]=4 485 B6R1.2 c1coc(n1)I TS86803 [2,0,0,0,0,0|2,0,0]=4 486 B6R1.2 c1coc(n1)N TS00816 [2,0,0,0,0,0|2,0,0]=4 487 B6R1.2 c1csc(n1)S TS32304 [2,0,0,0,0,0|1,1,0]=4 488 B6R1.2 c1cscc1S TS60165 [2,0,0,0,0,0|2,0,0]=4 489 B8R0.6 CC=CC=CC(=O)OC TS05163 [0,1,1,0,0,0|0,1,1]=4 490 B8R0.9 CC(=O)C=CC(=O)OC TS36270 [0,1,1,0,0,0|0,1,1]=4 491 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [0,1,1,0,0,0|1,0,1]=4 492 B8R1.7 B(c1ccco1)(O)O TS94317 [1,1,0,0,0,0|2,0,0]=4 493 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [1,1,0,0,0,0|2,0,0]=4 494 B8R1.7 CC(=O)c1ccco1 TS04188 [1,1,0,0,0,0|1,0,0]=3 495 B8R1.7 CC(=O)c1cccs1 TS08262 [1,1,0,0,0,0|1,1,0]=4 496 B8R1.7 CC(C)C1=CC=CC1 TS04141 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.7 CC(c1ccco1)N TS04253 [1,1,0,0,0,0|1,0,0]=3 498 B8R1.7 CC(c1ccco1)O TS31898 [1,1,0,0,0,0|1,0,0]=3 499 B8R1.7 CN(C)c1cccs1 TS36249 [1,1,0,0,0,0|1,1,0]=4 500 B8R1.7 C[C@@H](c1cccs1)O TS05368 [1,1,0,0,0,0|1,1,0]=4 501 B8R1.7 C[C@H](c1ccco1)O TS31904 [1,1,0,0,0,0|1,0,0]=3 502 B8R1.7 C[C@H](c1cccs1)O TS08060 [1,1,0,0,0,0|1,1,0]=4 503 B8R1.7 c1cc(oc1)C(=N)N TS31821 [1,1,0,0,0,0|2,0,0]=4 504 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [1,1,0,0,0,0|2,0,0]=4 505 B8R1.7 c1cc(oc1)C(=O)N TS04237 [1,1,0,0,0,0|2,0,0]=4 506 B8R1.7 c1cc(oc1)C(=O)O TS04269 [1,1,0,0,0,0|2,0,0]=4 507 B8R1.7 c1cc(oc1)C(=S)N TS05264 [1,1,0,0,0,0|2,0,0]=4 508 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [1,1,0,0,0,0|2,0,0]=4 509 B8R1.8 CCCc1ccco1 TS31836 [1,1,0,0,0,0|1,0,0]=3 510 B8R1.8 CCCc1cccs1 TS36171 [1,1,0,0,0,0|1,1,0]=4 511 B8R1.8 CCNc1cccs1 TS36245 [1,1,0,0,0,0|1,1,0]=4 512 B8R1.8 CNCc1ccco1 TS04251 [1,1,0,0,0,0|1,0,0]=3 513 B8R1.8 CNCc1ccco1 TS07391 [1,1,0,0,0,0|1,0,0]=3 514 B8R1.8 CNCc1cccs1 TS01562 [1,1,0,0,0,0|1,1,0]=4 515 B8R1.8 CNCc1cccs1 TS11775 [1,1,0,0,0,0|1,1,0]=4 516 B8R1.8 CNCc1ccno1 TS04292 [1,1,0,0,0,0|2,0,0]=4 517 B8R1.8 COCc1ccco1 TS31900 [1,1,0,0,0,0|0,1,0]=3 518 B8R1.8 CSCc1ccco1 TS05367 [1,1,0,0,0,0|0,0,0]=2 519 B8R1.8 c1cc(oc1)C=NO TS04241 [1,1,0,0,0,0|2,0,0]=4 520 B8R1.8 c1cc(oc1)CCO TS31915 [1,1,0,0,0,0|1,0,0]=3 521 B8R1.8 c1cc(sc1)CCBr TS51245 [1,1,0,0,0,0|1,1,0]=4 522 B8R1.8 c1cc(sc1)CCN TS46632 [1,1,0,0,0,0|1,1,0]=4 523 B8R1.8 c1cc(sc1)CCN TS65662 [1,1,0,0,0,0|1,1,0]=4 524 B8R1.8 c1cc(sc1)CCN TS93665 [1,1,0,0,0,0|1,1,0]=4 525 B8R1.8 c1cc(sc1)CCO TS65661 [1,1,0,0,0,0|1,1,0]=4 526 B8R1.8 c1coc(n1)CCN TS00111 [1,1,0,0,0,0|2,0,0]=4 527 B8R1.11 Cc1c(cco1)SC TS36315 [1,1,0,0,0,0|2,0,0]=4 528 B8R1.11 c1coc(c1Br)C=O TS45892 [1,1,0,0,0,0|2,0,0]=4 529 B8R1.18 C1=C(C(=O)OC1=O)Br TS46214 [1,1,0,0,0,0|1,1,0]=4 530 B8R1.18 C1=C(C(=O)OC1=O)Cl TS36728 [1,1,0,0,0,0|1,1,0]=4 531 B8R1.18 CC1=CC(=O)OC1=O TS22789 [1,1,0,0,0,0|1,1,0]=4 532 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [1,1,0,0,0,0|0,0,1]=3 533 B8R1.18 Cc1c(cc(s1)Br)Br TS67792 [1,1,0,0,0,0|1,1,0]=4 534 B8R1.18 Cc1c(cn(n1)C)Br TS88783 [1,1,0,0,0,0|2,0,0]=4 535 B8R1.18 Cc1c(cn(n1)C)Cl TS36572 [1,1,0,0,0,0|2,0,0]=4 536 B8R1.18 Cc1c(cn(n1)C)N TS91570 [1,1,0,0,0,0|2,0,0]=4 537 B8R1.18 Cc1c(nc([nH]1)S)C TS36322 [1,1,0,0,0,0|2,0,0]=4 538 B8R1.18 Cc1c(oc(=O)o1)C TS60038 [1,1,0,0,0,0|1,1,0]=4 539 B8R1.18 Cc1c(oc(n1)C)C TS00589 [1,1,0,0,0,0|1,0,0]=3 540 B8R1.18 Cc1c(sc(n1)C)Br TS16973 [1,1,0,0,0,0|2,0,0]=4 541 B8R1.18 Cc1c(sc(n1)C)C TS36251 [1,1,0,0,0,0|1,1,0]=4 542 B8R1.18 Cc1c(sc(n1)S)C TS40347 [1,1,0,0,0,0|1,1,0]=4 543 B8R1.18 Cc1cc(c(o1)C)S TS36314 [1,1,0,0,0,0|0,0,0]=2 544 B8R1.18 Cc1cc(n(n1)C)Br TS13619 [1,1,0,0,0,0|2,0,0]=4 545 B8R1.18 Cc1cc(n(n1)C)C TS00358 [1,1,0,0,0,0|2,0,0]=4 546 B8R1.18 Cc1cc(n(n1)C)Cl TS36569 [1,1,0,0,0,0|2,0,0]=4 547 B8R1.18 Cc1cc(n(n1)C)N TS07392 [1,1,0,0,0,0|2,0,0]=4 548 B8R1.18 Cc1cc(n(n1)C)N TS31880 [1,1,0,0,0,0|2,0,0]=4 549 B8R1.18 Cc1cc(sc1C)C TS36170 [1,1,0,0,0,0|0,1,0]=3 550 B8R1.50 Cc1ccc(n1C)C TS31807 [1,1,0,0,0,0|1,0,0]=3 551 B8R1.50 Cc1csc([n+]1C)C TS28734 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.1 CCCc1ccc(cc1)C TS05929 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.1 CCNc1ccc(cc1)C TS36952 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.1 CCOc1ccc(cc1)C TS06082 [0,1,0,0,0,1|1,1,0]=4 555 B10R1.1 CCSc1ccc(cc1)Br TS49222 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [0,1,0,0,0,1|2,0,0]=4 559 B10R1.1 Cc1ccc(cc1)CCN TS36945 [0,1,0,0,0,1|2,0,0]=4 560 B10R1.1 Cc1ccc(cc1)CCO TS06073 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.1 Cc1ccc(cc1)CNC TS01603 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [0,1,0,0,0,1|1,0,0]=3 563 B10R1.1 Cc1ccc(cn1)CCO TS06184 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.3 CCc1ccc(cc1)CC TS05932 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.3 CCc1ccc(cc1)CCl TS07791 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.3 CCc1ccc(cc1)CN TS36956 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.3 CCc1ccc(cc1)CO TS06078 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.3 CCc1ccc(cc1)OC TS06096 [0,1,0,0,0,1|1,1,0]=4 569 B10R1.3 CNc1ccc(cc1)OC TS01939 [0,1,0,0,0,1|1,1,0]=4 570 B10R1.3 COc1ccc(cc1)CBr TS03143 [0,1,0,0,0,1|1,1,0]=4 571 B10R1.3 COc1ccc(cc1)CCl TS60060 [0,1,0,0,0,1|1,1,0]=4 572 B10R1.3 COc1ccc(cc1)CN TS03142 [0,1,0,0,0,1|1,1,0]=4 573 B10R1.3 COc1ccc(cc1)CS TS03144 [0,1,0,0,0,1|1,1,0]=4 574 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [0,1,0,0,0,1|1,1,0]=4 575 B10R1.3 COc1ccc(cc1)OC TS07887 [0,1,0,0,0,1|1,1,0]=4 576 B10R1.3 COc1ccc(cc1)SC TS41410 [0,1,0,0,0,1|1,0,0]=3 577 B10R1.3 COc1ccc(cn1)CN TS91541 [0,1,0,0,0,1|1,1,0]=4 578 B10R1.3 COc1ccc(cn1)CO TS87332 [0,1,0,0,0,1|1,1,0]=4 579 B10R1.3 COc1ccc(nc1)CCl TS90886 [0,1,0,0,0,1|1,1,0]=4 580 B10R1.3 COc1ccc(nc1)CO TS91157 [0,1,0,0,0,1|1,1,0]=4 581 B10R1.3 COc1ccc(nc1)OC TS94185 [0,1,0,0,0,1|1,1,0]=4 582 B10R1.3 CSc1ccc(cc1)C#N TS40765 [0,1,0,0,0,1|1,0,1]=4 583 B10R1.3 CSc1ccc(cc1)C=O TS71245 [0,1,0,0,0,1|1,0,1]=4 584 B10R1.3 CSc1ccc(cc1)CCl TS13280 [0,1,0,0,0,1|1,0,0]=3 585 B10R1.3 CSc1ccc(cc1)CO TS41407 [0,1,0,0,0,1|1,0,0]=3 586 B10R1.3 CSc1ccc(cc1)NN TS46693 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,1,0,0,0,1|1,0,1]=4 597 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,1,0,0,0,1|1,0,1]=4 598 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,1,0,0,0,1|2,0,0]=4 602 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [0,1,0,0,0,1|2,0,0]=4 604 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.25 CCc1ccc(cc1C)C TS36871 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.25 CCc1ccc(nc1N)C TS06103 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.25 CCc1cnc(cc1N)C TS03292 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.25 Cc1cc(ccc1SC)O TS41411 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [0,1,0,0,0,1|1,1,0]=4 611 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [0,1,0,0,0,1|1,1,0]=4 612 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [0,1,0,0,0,1|1,1,0]=4 613 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [0,1,0,0,0,1|1,1,0]=4 614 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [0,1,0,0,0,1|1,1,0]=4 615 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [0,1,0,0,0,1|1,1,0]=4 616 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [0,1,0,0,0,1|1,1,0]=4 617 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [0,1,0,0,0,1|1,1,0]=4 618 B10R1.25 Cc1cnc(c(n1)C)SC TS41413 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.176 CSc1ccc(c(c1)Cl)Cl TS51593 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.176 Cc1ccc(cc1C)OC TS06079 [0,1,0,0,0,1|1,1,0]=4 622 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [0,1,0,0,0,1|1,1,0]=4 623 B10R1.176 Cc1ccc(cc1F)OC TS65516 [0,1,0,0,0,1|1,1,0]=4 624 B10R1.176 Cc1ccc(cc1N)OC TS39535 [0,1,0,0,0,1|1,1,0]=4 625 B10R1.2 CCc1cccc(c1C)C TS36862 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.2 CCc1cccc(c1O)C TS06085 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.2 Cc1cccc(c1C)OC TS02345 [0,1,0,0,0,1|1,1,0]=4 629 B10R1.2 Cc1cccc(c1N)OC TS01100 [0,1,0,0,0,1|1,1,0]=4 630 B10R1.2 Cc1cccc(c1O)OC TS55384 [0,1,0,0,0,1|1,1,0]=4 631 B10R1.2 Cc1ccnc(c1Br)OC TS89231 [0,1,0,0,0,1|1,1,0]=4 632 B10R1.2 Cc1ccnc(c1N)OC TS06277 [0,1,0,0,0,1|1,1,0]=4 633 B10R1.8 CCc1cc(cc(c1)C)C TS36869 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.8 CCc1cc(cc(c1)O)C TS06074 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.8 CCc1cc(nc(n1)C)Cl TS41732 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.8 CCc1cc(nc(n1)C)O TS71105 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.8 CSc1cc(cc(c1)Cl)Cl TS51590 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.8 CSc1nc(cc(n1)Cl)N TS39321 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.8 CSc1nc(cc(n1)N)N TS10712 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.8 CSc1nc(cc(n1)O)O TS10963 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.8 Cc1cc(=O)nc([nH]1)OC TS06442 [0,1,0,0,0,1|1,1,0]=4 642 B10R1.8 Cc1cc(cc(=O)o1)OC TS37345 [0,1,0,0,0,1|1,1,0]=4 643 B10R1.8 Cc1cc(cc(c1)Br)OC TS46928 [0,1,0,0,0,1|1,1,0]=4 644 B10R1.8 Cc1cc(cc(c1)Cl)OC TS41723 [0,1,0,0,0,1|1,1,0]=4 645 B10R1.8 Cc1cc(cc(c1)OC)C TS06080 [0,1,0,0,0,1|1,1,0]=4 646 B10R1.8 Cc1cc(cc(c1)OC)O TS06245 [0,1,0,0,0,1|1,1,0]=4 647 B10R1.8 Cc1cc(nc(n1)Cl)SC TS55231 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.8 Cc1cc(nc(n1)OC)C TS01090 [0,1,0,0,0,1|1,1,0]=4 649 B10R1.8 Cc1cc(nc(n1)SC)C TS02933 [0,1,0,0,0,1|1,0,0]=3 650 B10R1.8 Cc1cc(nc(n1)SC)Cl TS70831 [0,1,0,0,0,1|1,0,0]=3 651 B10R1.8 Cc1nc(cc(n1)Cl)SC TS87876 [0,1,0,0,0,1|1,0,0]=3 652 B10R1.10 CCCc1cccc(c1)C TS36863 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.10 CCNc1cccc(c1)C TS06008 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.10 CCOc1cccc(c1)C TS06098 [0,1,0,0,0,1|1,1,0]=4 655 B10R1.10 CCOc1cncc(n1)C TS37188 [0,1,0,0,0,1|1,1,0]=4 656 B10R1.10 Cc1cccc(c1)CCBr TS54163 [0,1,0,0,0,1|2,0,0]=4 657 B10R1.10 Cc1cccc(c1)CCN TS45399 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.10 Cc1cccc(c1)CCN TS70669 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.10 Cc1cccc(c1)CCO TS37008 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.10 Cc1cccc(c1)CNC TS36964 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.10 Cc1cccc(n1)CCO TS37109 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.10 Cc1cccc(n1)CNC TS65175 [0,1,0,0,0,1|2,0,0]=4 663 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.30 CCc1cc(ccc1C)C TS05930 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.30 CSc1c(cnc(n1)Cl)Br TS26408 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [0,1,0,0,0,1|1,1,0]=4 667 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [0,1,0,0,0,1|1,1,0]=4 668 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [0,1,0,0,0,1|1,1,0]=4 669 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [0,1,0,0,0,1|1,1,0]=4 670 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [0,1,0,0,0,1|1,1,0]=4 671 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [0,1,0,0,0,1|1,1,0]=4 672 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [0,1,0,0,0,1|1,1,0]=4 673 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [0,1,0,0,0,1|1,1,0]=4 674 B10R1.30 Cc1ncc(c(n1)OC)N TS71203 [0,1,0,0,0,1|1,1,0]=4 675 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,1,0,0,0,1|2,0,0]=4 677 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [0,1,0,0,0,1|2,0,0]=4 679 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [0,1,0,0,0,1|2,0,0]=4 680 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [0,1,0,0,0,1|2,0,0]=4 682 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.113 Cc1cccc(n1)C(C)N TS06109 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,1,0,0,0,1|2,0,0]=4 685 B10R1.113 Cc1ccnc(c1)C(C)N TS37022 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.172 CCc1cc(cnc1)CC TS36963 [0,1,0,0,0,1|2,0,0]=4 687 B10R1.172 CCc1cccc(n1)CO TS46566 [0,1,0,0,0,1|2,0,0]=4 688 B10R1.172 CNc1cccc(c1)OC TS37104 [0,1,0,0,0,1|1,1,0]=4 689 B10R1.172 CNc1cccc(n1)OC TS37198 [0,1,0,0,0,1|1,1,0]=4 690 B10R1.172 COC1=CCC=C(C1)OC TS06471 [0,1,0,0,0,1|1,1,0]=4 691 B10R1.172 COc1cc(ccn1)CN TS86154 [0,1,0,0,0,1|1,1,0]=4 692 B10R1.172 COc1cc(ccn1)CO TS86056 [0,1,0,0,0,1|1,1,0]=4 693 B10R1.172 COc1cc(cnc1)CN TS92215 [0,1,0,0,0,1|1,1,0]=4 694 B10R1.172 COc1cc(cnc1)CO TS86006 [0,1,0,0,0,1|1,1,0]=4 695 B10R1.172 COc1cc(cnc1)OC TS02599 [0,1,0,0,0,1|1,1,0]=4 696 B10R1.172 COc1cccc(c1)CBr TS38037 [0,1,0,0,0,1|1,1,0]=4 697 B10R1.172 COc1cccc(c1)CCl TS39449 [0,1,0,0,0,1|1,1,0]=4 698 B10R1.172 COc1cccc(c1)CN TS60017 [0,1,0,0,0,1|1,1,0]=4 699 B10R1.172 COc1cccc(c1)CO TS39311 [0,1,0,0,0,1|1,1,0]=4 700 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [0,1,0,0,0,1|1,1,0]=4 701 B10R1.172 COc1cccc(c1)OC TS46804 [0,1,0,0,0,1|1,1,0]=4 702 B10R1.172 COc1cccc(c1)SC TS41406 [0,1,0,0,0,1|1,0,0]=3 703 B10R1.172 COc1cccc(n1)CN TS46568 [0,1,0,0,0,1|1,1,0]=4 704 B10R1.172 COc1cccc(n1)CO TS06371 [0,1,0,0,0,1|1,1,0]=4 705 B10R1.172 COc1cccc(n1)OC TS65016 [0,1,0,0,0,1|1,1,0]=4 706 B10R1.172 COc1ccnc(c1)CO TS46547 [0,1,0,0,0,1|1,1,0]=4 707 B10R1.172 COc1ccnc(c1)OC TS06363 [0,1,0,0,0,1|1,1,0]=4 708 B10R1.172 COc1ccnc(n1)OC TS47234 [0,1,0,0,0,1|1,1,0]=4 709 B10R1.172 COc1cncc(n1)OC TS37359 [0,1,0,0,0,1|1,1,0]=4 710 B10R1.172 COc1nccc(n1)CN TS87069 [0,1,0,0,0,1|1,1,0]=4 711 B10R1.172 COc1nccc(n1)CO TS89082 [0,1,0,0,0,1|1,1,0]=4 712 B10R1.172 CSc1ccnc(c1)SC TS45357 [0,1,0,0,0,1|1,0,0]=3 713 B10R1.172 CSc1nccc(n1)C=O TS02454 [0,1,0,0,0,1|1,0,1]=4 714 B10R1.172 CSc1nccc(n1)CBr TS49561 [0,1,0,0,0,1|1,0,0]=3 715 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [0,2,0,0,0,0|1,0,0]=3 716 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [0,2,0,0,0,0|1,1,0]=4 717 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,2,0,0,0,0|0,1,0]=3 718 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [0,2,0,0,0,0|1,1,0]=4 719 B10R1.16 CCCCc1ccc(s1)C TS10505 [0,2,0,0,0,0|1,1,0]=4 720 B10R1.16 Cc1ccc(o1)CCC=O TS37180 [0,2,0,0,0,0|1,0,0]=3 721 B10R1.16 Cc1ccc(o1)CSSC TS13563 [0,2,0,0,0,0|0,0,0]=2 722 B10R1.54 Cc1ccc(o1)CN(C)C TS37308 [0,2,0,0,0,0|1,0,0]=3 723 B10R1.96 COCc1ccc(o1)C=O TS37343 [0,2,0,0,0,0|0,1,1]=4 724 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [0,2,0,0,0,0|1,0,1]=4 725 B10R1.31 CCc1ccc(s1)C(=O)C TS41403 [0,2,0,0,0,0|1,1,0]=4 726 B10R1.31 CN(C)c1ccc(o1)C=O TS06369 [0,2,0,0,0,0|1,0,1]=4 727 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [0,2,0,0,0,0|0,1,1]=4 728 B10R1.31 c1cc(oc1CN)C(=O)O TS06569 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.31 c1cc(oc1CO)C(=O)O TS03337 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.31 c1cc(oc1CO)[N+](=O)[O-] TS40048 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.34 CCC1=C(C(=O)C(O1)C)O TS37555 [0,2,0,0,0,0|1,0,1]=4 732 B10R1.34 CCC1C(=O)C(=C(O1)C)O TS06659 [0,2,0,0,0,0|1,0,1]=4 733 B10R1.59 Cc1c(oc(n1)C)C(=O)C TS06376 [0,2,0,0,0,0|2,0,0]=4 734 B10R1.59 Cc1cc([nH]c1C(=O)C)C TS37113 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.58 Cc1cc(oc1C)C(=O)C TS06264 [0,2,0,0,0,0|1,0,0]=3 736 B10R1.58 Cc1cc(oc1C)C(=O)O TS65110 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.55 Cc1cc[n+](o1)C(C)(C)C TS26422 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.55 Cc1ccc(o1)C(F)(F)F TS59972 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.55 Cc1ccc(s1)[Si](C)(C)C TS45215 [0,2,0,0,0,0|1,1,0]=4 740 B10R1.55 [B-](c1ccc(o1)C)(F)(F)F TS94639 [0,2,0,0,0,0|2,0,0]=4 741 B8R1.4 CC1=CCCC(=O)O1 TS31918 [0,0,1,1,0,0|2,0,0]=4 742 B8R1.2 CSc1ccccc1 TS36022 [0,0,1,1,0,0|1,0,1]=4 743 B8R1.2 CSc1ccccn1 TS05101 [0,0,1,1,0,0|1,0,1]=4 744 B8R1.2 CSc1cccnc1 TS05108 [0,0,1,1,0,0|2,0,0]=4 745 B8R1.3 Cc1cc[n+](cc1)C TS25680 [0,0,1,1,0,0|2,0,0]=4 746 B8R1.3 Cc1ccc(cc1)C TS04096 [0,0,1,1,0,0|2,0,0]=4 747 B8R1.3 Cc1ccc(cc1)C TS77016 [0,0,1,1,0,0|2,0,0]=4 748 B8R1.3 Cc1ccc(cc1)O TS05157 [0,0,1,1,0,0|1,0,1]=4 749 B8R1.3 Cc1ccc(cc1)O TS94395 [0,0,1,1,0,0|1,0,1]=4 750 B8R1.3 Cc1ccc(cn1)O TS71569 [0,0,1,1,0,0|2,0,0]=4 751 B8R1.3 Cc1ccc(nc1)C TS47280 [0,0,1,1,0,0|2,0,0]=4 752 B8R1.3 Cc1ccc(nc1)O TS01053 [0,0,1,1,0,0|1,0,1]=4 753 B8R1.5 Cc1c(cccn1)O TS87617 [0,0,1,1,0,0|2,0,0]=4 754 B8R1.5 Cc1ccccc1O TS31768 [0,0,1,1,0,0|1,0,1]=4 755 B10R2.2 Cc1nc2c(o1)CNC2 TS32611 [0,1,0,1,0,0|2,0,0]=4 756 B6R0.3 CC(=C)C(=O)NC TS03820 [0,0,1,0,1,0|2,0,0]=4 757 B6R0.3 CC(=C)C(=O)OC TS31500 [0,0,1,0,1,0|1,1,0]=4