0 B11R2.106 Cc1c2c(nc[nH]2)ncn1 TS01268 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.106 Cc1c2cc[nH]c2ncn1 TS86397 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.106 Cc1cccc2c1cc[nH]2 TS03171 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.106 Cc1cccc2c1cn[nH]2 TS71225 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.106 Cc1ccnc2c1cc[nH]2 TS36680 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.106 Cc1ccnc2c1nc[nH]2 TS90699 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.106 c1[nH]c(=O)c2c(n1)nn[nH]2 TS59693 [0,0,0,0,0,0|1,0,3]=4 7 B11R2.106 c1[nH]c2c(n1)ncnc2Br TS18763 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.106 c1[nH]c2c(n1)ncnc2Cl TS55582 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.106 c1[nH]c2c(n1)ncnc2I TS62233 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.106 c1[nH]c2c(n1)ncnc2S TS50838 [0,0,0,0,0,0|2,1,1]=4 11 B11R2.106 c1[nH]c2c(ncnc2n1)N TS66732 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.106 c1c2c([nH]n1)nc[nH]c2=O TS55728 [0,0,0,0,0,0|0,0,2]=2 13 B11R2.106 c1c2c([nH]n1)ncnc2Br TS88135 [0,0,0,0,0,0|1,0,0]=1 14 B11R2.106 c1c2c([nH]n1)ncnc2Cl TS71013 [0,0,0,0,0,0|1,0,0]=1 15 B11R2.106 c1c2c([nH]n1)ncnc2S TS10175 [0,0,0,0,0,0|0,1,0]=1 16 B11R2.106 c1c2c(c(ncn2)Cl)[nH]n1 TS87533 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.106 c1c2c(cncc2Br)[nH]n1 TS87457 [0,0,0,0,0,0|4,0,0]=4 18 B11R2.106 c1c2c(ncnc2[nH]n1)N TS70919 [0,0,0,0,0,0|1,0,0]=1 19 B11R2.106 c1c2c(ncnc2[nH]n1)N TS93586 [0,0,0,0,0,0|1,0,0]=1 20 B11R2.106 c1c2c(ncnn2cn1)Cl TS90748 [0,0,0,0,0,0|3,0,0]=3 21 B11R2.106 c1c[nH]c2c1c(=O)nc[nH]2 TS90273 [0,0,0,0,0,0|1,0,2]=3 22 B11R2.106 c1c[nH]c2c1c(ccn2)Br TS70986 [0,0,0,0,0,0|3,0,0]=3 23 B11R2.106 c1c[nH]c2c1c(ccn2)Cl TS09669 [0,0,0,0,0,0|3,0,0]=3 24 B11R2.106 c1c[nH]c2c1c(ccn2)F TS87003 [0,0,0,0,0,0|3,0,0]=3 25 B11R2.106 c1c[nH]c2c1c(ccn2)N TS70904 [0,0,0,0,0,0|3,0,0]=3 26 B11R2.106 c1c[nH]c2c1c(ccn2)O TS71163 [0,0,0,0,0,0|2,0,0]=2 27 B11R2.106 c1c[nH]c2c1c(ncc2)Br TS18396 [0,0,0,0,0,0|3,0,0]=3 28 B11R2.106 c1c[nH]c2c1c(ncc2)Cl TS71014 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.106 c1c[nH]c2c1c(ncc2)N TS46962 [0,0,0,0,0,0|3,0,0]=3 30 B11R2.106 c1c[nH]c2c1c(ncn2)Br TS18537 [0,0,0,0,0,0|2,0,0]=2 31 B11R2.106 c1c[nH]c2c1c(ncn2)Cl TS10361 [0,0,0,0,0,0|2,0,0]=2 32 B11R2.106 c1c[nH]c2c1c(ncn2)I TS91355 [0,0,0,0,0,0|2,0,0]=2 33 B11R2.106 c1c[nH]c2c1c(ncn2)N TS25192 [0,0,0,0,0,0|2,0,0]=2 34 B11R2.106 c1c[nH]c2c1c(ncn2)N TS70906 [0,0,0,0,0,0|2,0,0]=2 35 B11R2.106 c1c[nH]c2c1ncnc2Cl TS71040 [0,0,0,0,0,0|4,0,0]=4 36 B11R2.106 c1c[nH]c2c1ncnc2N TS88154 [0,0,0,0,0,0|4,0,0]=4 37 B11R2.106 c1cc(c2c(c1)[nH]nn2)N TS05882 [0,0,0,0,0,0|4,0,0]=4 38 B11R2.106 c1cc(c2cc[nH]c2c1)N TS02994 [0,0,0,0,0,0|4,0,0]=4 39 B11R2.106 c1cc(c2cn[nH]c2c1)N TS88817 [0,0,0,0,0,0|3,0,0]=3 40 B11R2.106 c1cc2c(c(c1)O)nc[nH]2 TS36807 [0,0,0,0,0,0|4,0,0]=4 41 B11R2.106 c1cc2c(c(c1)O)nn[nH]2 TS05980 [0,0,0,0,0,0|3,0,0]=3 42 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br TS09604 [0,0,0,0,0,0|4,0,0]=4 43 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl TS71069 [0,0,0,0,0,0|4,0,0]=4 44 B11R2.106 c1cc2c(cc[nH]2)c(c1)F TS03092 [0,0,0,0,0,0|4,0,0]=4 45 B11R2.106 c1cc2c(cc[nH]2)c(c1)O TS71173 [0,0,0,0,0,0|3,0,0]=3 46 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br TS09603 [0,0,0,0,0,0|3,0,0]=3 47 B11R2.106 c1cc2c(cn[nH]2)c(c1)Cl TS09633 [0,0,0,0,0,0|3,0,0]=3 48 B11R2.106 c1cc2c(cn[nH]2)c(c1)F TS36973 [0,0,0,0,0,0|3,0,0]=3 49 B11R2.106 c1cc2c(cn[nH]2)c(c1)I TS71179 [0,0,0,0,0,0|3,0,0]=3 50 B11R2.106 c1cc2c(cn[nH]2)c(c1)O TS88492 [0,0,0,0,0,0|2,0,0]=2 51 B11R2.106 c1cc2c(ncnn2c1)Cl TS87792 [0,0,0,0,0,0|4,0,0]=4 52 B11R2.106 c1cc2c(ncnn2c1)N TS05883 [0,0,0,0,0,0|4,0,0]=4 53 B11R2.106 c1cc2cn[nH]c2c(c1)O TS05880 [0,0,0,0,0,0|4,0,0]=4 54 B11R2.106 c1cc2cnoc2c(c1)O TS05967 [0,0,0,0,0,0|4,0,0]=4 55 B11R2.106 c1cnc(c2c1NCC2)Cl TS90893 [0,0,0,0,0,0|3,0,1]=4 56 B11R2.106 c1cnc(c2c1[nH]cn2)Br TS89331 [0,0,0,0,0,0|4,0,0]=4 57 B11R2.106 c1cnc(c2c1[nH]cn2)Cl TS09632 [0,0,0,0,0,0|4,0,0]=4 58 B11R2.106 c1cnc(c2c1[nH]cn2)N TS90510 [0,0,0,0,0,0|4,0,0]=4 59 B11R2.106 c1cnc(c2c1[nH]nc2)Br TS90089 [0,0,0,0,0,0|2,0,0]=2 60 B11R2.106 c1cnc(c2c1[nH]nc2)Cl TS86364 [0,0,0,0,0,0|2,0,0]=2 61 B11R2.106 c1cnc(c2c1cn[nH]2)Br TS89269 [0,0,0,0,0,0|4,0,0]=4 62 B11R2.106 c1cnc(c2c1cn[nH]2)Cl TS32809 [0,0,0,0,0,0|4,0,0]=4 63 B11R2.106 c1cnc(c2c1occ2)Cl TS71068 [0,0,0,0,0,0|4,0,0]=4 64 B11R2.106 c1cnc(c2c1scc2)Cl TS71082 [0,0,0,0,0,0|4,0,0]=4 65 B11R2.106 c1cnc(c2c1scc2)I TS68449 [0,0,0,0,0,0|4,0,0]=4 66 B11R2.106 c1cnc(c2c1scc2)O TS10063 [0,0,0,0,0,0|3,0,0]=3 67 B11R2.106 c1cnc-2[nH]cnc(c12)Br TS94464 [0,0,0,0,0,0|2,0,2]=4 68 B11R2.106 c1cnc2c(c1Br)cn[nH]2 TS86712 [0,0,0,0,0,0|2,0,0]=2 69 B11R2.106 c1cnc2c(c1Br)nc[nH]2 TS87102 [0,0,0,0,0,0|4,0,0]=4 70 B11R2.106 c1cnc2c(c1Cl)cco2 TS88728 [0,0,0,0,0,0|4,0,0]=4 71 B11R2.106 c1cnc2c(c1Cl)ccs2 TS12738 [0,0,0,0,0,0|4,0,0]=4 72 B11R2.106 c1cnc2c(c1Cl)cn[nH]2 TS86744 [0,0,0,0,0,0|2,0,0]=2 73 B11R2.106 c1cnc2c(c1Cl)nc[nH]2 TS92069 [0,0,0,0,0,0|4,0,0]=4 74 B11R2.106 c1cnc2c(c1I)cn[nH]2 TS88960 [0,0,0,0,0,0|2,0,0]=2 75 B11R2.106 c1cnc2c(c1I)nc[nH]2 TS89008 [0,0,0,0,0,0|4,0,0]=4 76 B11R2.106 c1cnc2c(c1O)cn[nH]2 TS86156 [0,0,0,0,0,0|1,0,0]=1 77 B11R2.106 c1cnc2ccsc2c1O TS01723 [0,0,0,0,0,0|4,0,0]=4 78 B11R2.106 c1cnc2ccsc2c1O TS91079 [0,0,0,0,0,0|4,0,0]=4 79 B11R2.106 c1cnc2cn[nH]c2c1Cl TS87801 [0,0,0,0,0,0|4,0,0]=4 80 B11R2.106 c1coc2c1c(ncn2)Cl TS10523 [0,0,0,0,0,0|3,0,0]=3 81 B11R2.106 c1coc2c1c(ncn2)N TS88109 [0,0,0,0,0,0|3,0,0]=3 82 B11R2.106 c1coc2c1ncnc2Cl TS87417 [0,0,0,0,0,0|4,0,0]=4 83 B11R2.106 c1csc2c1c(ncn2)Cl TS71081 [0,0,0,0,0,0|3,0,0]=3 84 B11R2.106 c1csc2c1c(ncn2)N TS10065 [0,0,0,0,0,0|3,0,0]=3 85 B11R2.106 c1csc2c1ncnc2Cl TS71083 [0,0,0,0,0,0|4,0,0]=4 86 B11R2.106 c1csc2c1ncnc2Cl TS74624 [0,0,0,0,0,0|4,0,0]=4 87 B11R2.106 c1csc2c1ncnc2S TS12577 [0,0,0,0,0,0|3,1,0]=4 88 B11R2.106 c1nc2c(c(n1)Cl)CCC2 TS41462 [0,0,0,0,0,0|3,0,1]=4 89 B10R2.7 c1c2c(nc[nH]2)ncn1 TS32419 [1,0,0,0,0,0|2,0,1]=4 90 B10R2.7 c1c2c(ncn1)CN=C2 TS04783 [1,0,0,0,0,0|1,0,0]=2 91 B10R2.7 c1c2c(ncn1)CNC2 TS01201 [1,0,0,0,0,0|1,0,2]=4 92 B10R2.7 c1c2cn[nH]c2ncn1 TS32418 [1,0,0,0,0,0|0,0,0]=1 93 B10R2.7 c1c[nH]c2c1ccnn2 TS87458 [1,0,0,0,0,0|3,0,0]=4 94 B10R2.7 c1c[nH]c2c1cncc2 TS71394 [1,0,0,0,0,0|2,0,0]=3 95 B10R2.7 c1c[nH]c2c1cncn2 TS16522 [1,0,0,0,0,0|1,0,0]=2 96 B10R2.7 c1c[nH]c2c1nccn2 TS70840 [1,0,0,0,0,0|3,0,0]=4 97 B10R2.7 c1c[nH]c2c1ncnc2 TS71563 [1,0,0,0,0,0|3,0,0]=4 98 B10R2.7 c1cc2c(cn[nH]2)nc1 TS39228 [1,0,0,0,0,0|3,0,0]=4 99 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [1,0,0,0,0,0|2,0,1]=4 100 B10R2.7 c1cc2c(nc1)nn[nH]2 TS32417 [1,0,0,0,0,0|2,0,1]=4 101 B10R2.7 c1cc2cc[nH]c2nc1 TS01299 [1,0,0,0,0,0|2,0,0]=3 102 B10R2.7 c1cc2cn[nH]c2nc1 TS04782 [1,0,0,0,0,0|1,0,0]=2 103 B10R2.7 c1ccc2c(c1)[nH]nn2 TS04780 [1,0,0,0,0,0|3,0,0]=4 104 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,0,0,0|3,0,0]=4 105 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [1,0,0,0,0,0|2,0,0]=3 106 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [1,0,0,0,0,0|2,0,0]=3 107 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,0,0,0|3,0,0]=4 108 B10R2.7 c1ccc2c(c1)cns2 TS06001 [1,0,0,0,0,0|3,0,0]=4 109 B10R2.7 c1cnc-2nc[nH]cc12 TS04778 [1,0,0,0,0,0|1,0,2]=4 110 B10R2.7 c1cncc2c1[nH]nc2 TS88164 [1,0,0,0,0,0|1,0,0]=2 111 B10R2.7 c1cncc2c1cn[nH]2 TS00456 [1,0,0,0,0,0|3,0,0]=4 112 B12R2.82 Cc1c(ccc2c1cn[nH]2)Br TS87074 [0,1,0,0,0,0|3,0,0]=4 113 B12R2.82 Cc1c2cc[nH]c2ncc1Br TS21076 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.82 c1c[nH]c2c1c(c(cn2)Br)Cl TS17000 [0,1,0,0,0,0|3,0,0]=4 115 B12R2.82 c1c[nH]c2c1c(c(cn2)Br)F TS87114 [0,1,0,0,0,0|3,0,0]=4 116 B12R2.82 c1c[nH]c2c1c(c(cn2)Cl)F TS88192 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.82 c1c[nH]c2c1c(c(cn2)Cl)I TS91640 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.82 c1c[nH]c2c1c(c(cn2)F)Cl TS90101 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.82 c1c[nH]c2c1c(c(cn2)F)I TS87059 [0,1,0,0,0,0|3,0,0]=4 120 B12R2.82 c1c[nH]c2c1c(c(cn2)I)Cl TS85699 [0,1,0,0,0,0|3,0,0]=4 121 B12R2.82 c1c[nH]c2c1c(c(cn2)N)F TS88957 [0,1,0,0,0,0|3,0,0]=4 122 B12R2.82 c1c[nH]c2c1c(c(cn2)O)F TS86356 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.196 Cn1c2c(cn1)c(ncn2)Cl TS08998 [0,1,0,0,0,0|1,0,0]=2 124 B12R2.196 Cn1c2cccc(c2cn1)Br TS88914 [0,1,0,0,0,0|3,0,0]=4 125 B12R2.196 Cn1c2cccc(c2cn1)I TS91687 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.196 Cn1c2cccc(c2cn1)N TS88564 [0,1,0,0,0,0|3,0,0]=4 127 B12R2.196 Cn1ccc2c1ccnc2Cl TS71015 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.196 Cn1ccc2c1ccnc2N TS40551 [0,1,0,0,0,0|3,0,0]=4 129 B12R2.196 Cn1ccc2c1nccc2Br TS86782 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.196 Cn1ccc2c1nccc2Cl TS88148 [0,1,0,0,0,0|3,0,0]=4 131 B12R2.196 Cn1ccc2c1ncnc2Cl TS71055 [0,1,0,0,0,0|2,0,0]=3 132 B12R2.196 Cn1cnc2c1ncnc2Cl TS85123 [0,1,0,0,0,0|3,0,0]=4 133 B12R2.196 Cn1cnc2c1ncnc2N TS07556 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.196 c1c2c(c(s1)Br)ncnc2N TS92688 [0,1,0,0,0,0|3,0,0]=4 135 B12R2.202 Cc1cc2c([nH]1)cccc2O TS39281 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.202 Cc1cc2c([nH]1)ncnc2Cl TS85982 [0,1,0,0,0,0|2,0,0]=3 137 B12R2.202 Cc1cc2c(ccnc2[nH]1)Br TS89739 [0,1,0,0,0,0|3,0,0]=4 138 B12R2.202 Cc1cc2c(ccnc2[nH]1)Cl TS86779 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.202 Cc1cc2c(ccnc2[nH]1)O TS87126 [0,1,0,0,0,0|2,0,0]=3 140 B12R2.202 Cc1cc2c(ncnc2s1)N TS42933 [0,1,0,0,0,0|3,0,0]=4 141 B12R2.202 Cc1cc2c(s1)ncnc2Cl TS89897 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.202 Cn1cc2c(n1)ncnc2Cl TS86811 [0,1,0,0,0,0|1,0,2]=4 143 B12R2.202 c1c2c([nH]c1Br)ncnc2Cl TS89968 [0,1,0,0,0,0|2,0,0]=3 144 B12R2.202 c1c2c([nH]c1Cl)ncnc2Cl TS94355 [0,1,0,0,0,0|2,0,0]=3 145 B12R2.202 c1c2c([nH]c1I)ncnc2Cl TS87466 [0,1,0,0,0,0|2,0,0]=3 146 B12R2.202 c1c2c(ncnc2Cl)sc1Br TS90838 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.202 c1cnc2c(c1Cl)cc([nH]2)I TS89317 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.202 c1nc2c(c(n1)Cl)CC(=O)N2 TS88555 [0,1,0,0,0,0|2,0,1]=4 149 B12R2.203 Cc1c2c(cccc2Br)[nH]n1 TS88903 [0,1,0,0,0,0|3,0,0]=4 150 B12R2.203 Cc1c2c(ncnn2cn1)Cl TS86133 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.203 Cc1c[nH]c2c1c(=O)[nH]cn2 TS07554 [0,1,0,0,0,0|1,0,2]=4 152 B12R2.203 Cc1c[nH]c2c1c(ccn2)Br TS92546 [0,1,0,0,0,0|3,0,0]=4 153 B12R2.203 Cc1c[nH]c2c1c(ccn2)Cl TS89030 [0,1,0,0,0,0|3,0,0]=4 154 B12R2.203 Cc1c[nH]c2c1c(ccn2)N TS91918 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.203 Cc1c[nH]c2c1c(ncn2)Cl TS71044 [0,1,0,0,0,0|2,0,0]=3 156 B12R2.203 Cc1cccc2c1c(n[nH]2)O TS40614 [0,1,0,0,0,0|3,0,0]=4 157 B12R2.203 Cc1ccn2c1c(ncn2)O TS86497 [0,1,0,0,0,0|3,0,0]=4 158 B12R2.203 Cc1csc2c1c(ncn2)Cl TS48681 [0,1,0,0,0,0|3,0,0]=4 159 B12R2.203 Cn1c2c(cn1)ncnc2Cl TS55672 [0,1,0,0,0,0|3,0,0]=4 160 B12R2.203 Cn1cnc2c1c(ncn2)O TS40827 [0,1,0,0,0,0|2,0,1]=4 161 B12R2.203 c1[nH]c2c(n1=O)c(ncn2)N TS10005 [0,1,0,0,0,0|3,0,0]=4 162 B12R2.203 c1c(c2c([nH]1)ncnc2Cl)Br TS17001 [0,1,0,0,0,0|2,0,0]=3 163 B12R2.203 c1c(c2c([nH]1)ncnc2Cl)Cl TS91644 [0,1,0,0,0,0|2,0,0]=3 164 B12R2.203 c1c(c2c([nH]1)ncnc2Cl)F TS90098 [0,1,0,0,0,0|2,0,0]=3 165 B12R2.203 c1c(c2c([nH]1)ncnc2Cl)I TS71041 [0,1,0,0,0,0|2,0,0]=3 166 B12R2.203 c1c(c2c(ncnc2o1)N)Br TS90558 [0,1,0,0,0,0|3,0,0]=4 167 B12R2.203 c1c(c2c(ncnc2s1)N)Br TS85871 [0,1,0,0,0,0|3,0,0]=4 168 B12R2.203 c1c(c2c(s1)ncnc2Cl)Br TS91659 [0,1,0,0,0,0|3,0,0]=4 169 B12R2.203 c1cc(c2c(c1)[nH]nc2Cl)N TS88543 [0,1,0,0,0,0|3,0,0]=4 170 B12R2.203 c1cc(c2c(c1)[nH]nc2I)N TS87709 [0,1,0,0,0,0|3,0,0]=4 171 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)Cl TS90377 [0,1,0,0,0,0|3,0,0]=4 172 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)I TS61743 [0,1,0,0,0,0|3,0,0]=4 173 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)N TS86276 [0,1,0,0,0,0|3,0,0]=4 174 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)I TS34052 [0,1,0,0,0,0|3,0,0]=4 175 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N TS32629 [0,1,0,0,0,0|3,0,0]=4 176 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)I TS29734 [0,1,0,0,0,0|3,0,0]=4 177 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)O TS41095 [0,1,0,0,0,0|3,0,0]=4 178 B12R2.203 c1cc2c(c(c1)I)c(n[nH]2)N TS87323 [0,1,0,0,0,0|3,0,0]=4 179 B12R2.203 c1cnc(c2c1[nH]cc2Br)Cl TS94372 [0,1,0,0,0,0|3,0,0]=4 180 B12R2.203 c1cnc(c2c1[nH]cc2Br)N TS90162 [0,1,0,0,0,0|3,0,0]=4 181 B12R2.203 c1cnc(c2c1[nH]nc2I)Cl TS86814 [0,1,0,0,0,0|2,0,0]=3 182 B12R2.203 c1cnc(c2c1[nH]nc2I)N TS93351 [0,1,0,0,0,0|2,0,0]=3 183 B12R2.203 c1cnc2c(c1Cl)c(c[nH]2)Br TS91634 [0,1,0,0,0,0|3,0,0]=4 184 B12R2.203 c1cnc2c(c1Cl)c(c[nH]2)I TS88096 [0,1,0,0,0,0|3,0,0]=4 185 B12R2.203 c1cnc2c(c1Cl)c(n[nH]2)I TS91743 [0,1,0,0,0,0|2,0,0]=3 186 B12R2.203 c1nc(c2c(n1)[nH]nc2Br)N TS88179 [0,1,0,0,0,0|1,0,0]=2 187 B12R2.203 c1nc(c2c(n1)[nH]nc2I)N TS29613 [0,1,0,0,0,0|1,0,0]=2 188 B12R2.203 c1nc2c(c(n1)Cl)c(n[nH]2)Br TS65913 [0,1,0,0,0,0|1,0,0]=2 189 B12R2.221 c1cc(c2cn[nH]c2c1N)Br TS90497 [0,1,0,0,0,0|3,0,0]=4 190 B12R2.221 c1cc(c2cn[nH]c2c1N)F TS40988 [0,1,0,0,0,0|3,0,0]=4 191 B12R2.246 Cc1[nH]c(=O)c2cc[nH]c2n1 TS07550 [0,1,0,0,0,0|1,0,2]=4 192 B12R2.246 Cc1cc(c2cn[nH]c2c1)C TS40431 [0,1,0,0,0,0|3,0,0]=4 193 B12R2.246 Cc1cc(c2cn[nH]c2c1)N TS40543 [0,1,0,0,0,0|3,0,0]=4 194 B12R2.246 Cc1cc(cc2c1cn[nH]2)F TS09851 [0,1,0,0,0,0|3,0,0]=4 195 B12R2.246 Cc1cc2c(cc[nH]2)c(c1)O TS07345 [0,1,0,0,0,0|3,0,0]=4 196 B12R2.246 Cc1cc2c(cn[nH]2)c(c1)O TS40627 [0,1,0,0,0,0|2,0,0]=3 197 B12R2.246 Cc1nc2c(cc[nH]2)c(n1)Cl TS03055 [0,1,0,0,0,0|2,0,0]=3 198 B12R2.246 Cc1nc2c(ccs2)c(n1)Cl TS71023 [0,1,0,0,0,0|3,0,0]=4 199 B12R2.246 c12c(nc(nc1nn[nH]2)N)N TS69261 [0,1,0,0,0,0|2,0,1]=4 200 B12R2.246 c1[nH]c2c(n1)c(nc(n2)Br)N TS21588 [0,1,0,0,0,0|3,0,0]=4 201 B12R2.246 c1c(cc(c2c1[nH]nc2)Br)Br TS33755 [0,1,0,0,0,0|3,0,0]=4 202 B12R2.246 c1c(cc(c2c1[nH]nc2)Br)N TS86126 [0,1,0,0,0,0|3,0,0]=4 203 B12R2.246 c1c(cc(c2c1[nH]nc2)Br)O TS85613 [0,1,0,0,0,0|3,0,0]=4 204 B12R2.246 c1c(cc(c2c1[nH]nc2)Cl)Br TS88507 [0,1,0,0,0,0|3,0,0]=4 205 B12R2.246 c1c(cc(c2c1[nH]nc2)Cl)N TS12436 [0,1,0,0,0,0|3,0,0]=4 206 B12R2.246 c1c(cc(c2c1[nH]nc2)F)N TS91145 [0,1,0,0,0,0|3,0,0]=4 207 B12R2.246 c1c(cc(c2c1[nH]nc2)I)N TS85614 [0,1,0,0,0,0|3,0,0]=4 208 B12R2.246 c1c(cc(c2c1[nH]nc2)O)Br TS86127 [0,1,0,0,0,0|2,0,0]=3 209 B12R2.246 c1c(cc2c(c1N)cn[nH]2)Br TS89939 [0,1,0,0,0,0|3,0,0]=4 210 B12R2.246 c1c(cc2c(c1N)cn[nH]2)I TS86627 [0,1,0,0,0,0|3,0,0]=4 211 B12R2.246 c1c(cc2c(c1O)cno2)O TS10000 [0,1,0,0,0,0|3,0,0]=4 212 B12R2.246 c1c2c([nH]n1)nc(nc2Cl)Cl TS70824 [0,1,0,0,0,0|1,0,0]=2 213 B12R2.246 c1c2c([nH]n1)nc(nc2Cl)N TS71012 [0,1,0,0,0,0|1,0,0]=2 214 B12R2.246 c1c2c([nH]n1)nc(nc2O)O TS02922 [0,1,0,0,0,0|0,0,0]=1 215 B12R2.246 c1c2c([nH]n1)nc(nc2O)S TS12516 [0,1,0,0,0,0|0,0,0]=1 216 B12R2.246 c1c2c(cs1)nc(nc2Cl)Cl TS85702 [0,1,0,0,0,0|3,0,0]=4 217 B12R2.246 c1c2c(nc(nc2[nH]n1)O)N TS10007 [0,1,0,0,0,0|1,0,0]=2 218 B12R2.246 c1c2c(nc(nc2[nH]n1)S)N TS12385 [0,1,0,0,0,0|1,0,0]=2 219 B12R2.246 c1c[nH]c2c1c(=O)[nH]c(n2)N TS08275 [0,1,0,0,0,0|1,0,2]=4 220 B12R2.246 c1c[nH]c2c1c(cc(n2)Br)Cl TS90008 [0,1,0,0,0,0|3,0,0]=4 221 B12R2.246 c1c[nH]c2c1c(cc(n2)Br)N TS85691 [0,1,0,0,0,0|3,0,0]=4 222 B12R2.246 c1c[nH]c2c1c(cc(n2)Cl)Br TS85692 [0,1,0,0,0,0|3,0,0]=4 223 B12R2.246 c1c[nH]c2c1c(cc(n2)Cl)Cl TS90009 [0,1,0,0,0,0|3,0,0]=4 224 B12R2.246 c1c[nH]c2c1c(cc(n2)Cl)N TS91218 [0,1,0,0,0,0|3,0,0]=4 225 B12R2.246 c1c[nH]c2c1c(nc(c2)Cl)Cl TS94462 [0,1,0,0,0,0|3,0,0]=4 226 B12R2.246 c1c[nH]c2c1c(nc(n2)Cl)Cl TS90740 [0,1,0,0,0,0|2,0,0]=3 227 B12R2.246 c1c[nH]c2c1c(nc(n2)N)Cl TS91135 [0,1,0,0,0,0|2,0,0]=3 228 B12R2.246 c1csc2c1c(nc(n2)Cl)Cl TS00623 [0,1,0,0,0,0|3,0,0]=4 229 B12R2.315 C#Cc1cccc2c1cn[nH]2 TS90588 [0,1,0,0,0,0|3,0,0]=4 230 B12R2.315 CNc1c2cc[nH]c2ncn1 TS07447 [0,1,0,0,0,0|2,0,0]=3 231 B12R2.315 COc1c2cc[nH]c2ccn1 TS40619 [0,1,0,0,0,0|2,0,0]=3 232 B12R2.315 COc1c2cc[nH]c2ncn1 TS86031 [0,1,0,0,0,0|1,0,0]=2 233 B12R2.315 COc1cccc2c1cc[nH]2 TS03147 [0,1,0,0,0,0|3,0,0]=4 234 B12R2.315 COc1ccnc2c1cc[nH]2 TS71198 [0,1,0,0,0,0|2,0,0]=3 235 B12R2.315 c1[nH]c2c(n1)c(ncn2)NO TS10009 [0,1,0,0,0,0|2,0,0]=3 236 B12R2.315 c1c[nH]c2c1c(ccn2)C#N TS71093 [0,1,0,0,0,0|3,0,0]=4 237 B12R2.315 c1c[nH]c2c1c(ccn2)C=O TS87004 [0,1,0,0,0,0|2,0,1]=4 238 B12R2.315 c1c[nH]c2c1c(ccn2)CN TS88075 [0,1,0,0,0,0|3,0,0]=4 239 B12R2.315 c1c[nH]c2c1c(ccn2)CO TS87746 [0,1,0,0,0,0|2,0,0]=3 240 B12R2.315 c1c[nH]c2c1c(ncc2)C#N TS06848 [0,1,0,0,0,0|3,0,0]=4 241 B12R2.315 c1c[nH]c2c1c(ncn2)C#N TS89757 [0,1,0,0,0,0|2,0,0]=3 242 B12R2.315 c1cc(c2cc[nH]c2c1)CO TS40521 [0,1,0,0,0,0|3,0,0]=4 243 B12R2.315 c1cc(c2cn[nH]c2c1)C#N TS90388 [0,1,0,0,0,0|3,0,0]=4 244 B12R2.315 c1cc(c2cn[nH]c2c1)C=O TS46956 [0,1,0,0,0,0|2,0,1]=4 245 B12R2.315 c1cc(c2cn[nH]c2c1)CN TS90429 [0,1,0,0,0,0|3,0,0]=4 246 B12R2.315 c1cc(c2cn[nH]c2c1)CO TS87080 [0,1,0,0,0,0|2,0,0]=3 247 B12R2.315 c1csc2c1c(ncn2)NN TS12241 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.2 CCc1c(c(ncn1)O)Cl TS32988 [0,0,1,0,0,0|3,0,0]=4 249 B10R1.2 CCc1c(c(ncn1)O)F TS71103 [0,0,1,0,0,0|3,0,0]=4 250 B10R1.4 c1cc(c(nc1)N)C=NO TS13415 [0,0,1,0,0,0|3,0,0]=4 251 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [0,0,1,0,0,0|2,0,0]=3 252 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [0,0,1,0,0,0|3,0,0]=4 253 B10R1.10 CCNc1cc(ncn1)Cl TS10922 [0,0,1,0,0,0|2,0,1]=4 254 B10R1.245 COc1c(ncnc1Cl)N TS11183 [0,0,1,0,0,0|3,0,0]=4 255 B10R1.245 COc1c(ncnc1O)O TS02926 [0,0,1,0,0,0|3,0,0]=4 256 B10R1.245 c1cnc(c(c1Cl)C=O)N TS88701 [0,0,1,0,0,0|3,0,0]=4 257 B10R1.245 c1cnc(c(c1N)C=O)Cl TS32794 [0,0,1,0,0,0|3,0,0]=4 258 B10R1.245 c1nc(c(c(n1)Cl)C#N)N TS86625 [0,0,1,0,0,0|1,0,2]=4 259 B10R1.245 c1nc(c(c(n1)Cl)C=O)Cl TS02917 [0,0,1,0,0,0|3,0,0]=4 260 B10R1.245 c1nc(c(c(n1)Cl)C=O)N TS60371 [0,0,1,0,0,0|2,0,0]=3 261 B10R1.245 c1nc(c(c(n1)O)C=O)O TS02925 [0,0,1,0,0,0|2,0,0]=3 262 B12R2.1081 c1c2c(ncnc2ncn1)N TS07307 [0,0,0,0,0,1|1,0,1]=3 263 B12R2.1081 c1cc2c(c(ncn2)Cl)nc1 TS71075 [0,0,0,0,0,1|3,0,0]=4 264 B12R2.1081 c1cc2c(nc1)ncnc2Cl TS71074 [0,0,0,0,0,1|2,0,1]=4 265 B12R2.1081 c1cc2ccncc2c(c1)O TS07090 [0,0,0,0,0,1|3,0,0]=4 266 B12R2.1081 c1cc2cnccc2c(c1)O TS07091 [0,0,0,0,0,1|3,0,0]=4 267 B12R2.1081 c1ccc2c(c1)c(ccn2)O TS93944 [0,0,0,0,0,1|3,0,0]=4 268 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl TS71078 [0,0,0,0,0,1|3,0,0]=4 269 B12R2.1081 c1ccc2c(c1)c(ncn2)N TS40307 [0,0,0,0,0,1|3,0,0]=4 270 B12R2.1081 c1cnc2c(n1)c(ncn2)O TS40605 [0,0,0,0,0,1|1,0,1]=3 271 B12R2.1081 c1cnc2ccncc2c1N TS40304 [0,0,0,0,0,1|3,0,0]=4 272 B12R2.1081 c1cncc2c1c(ccn2)Cl TS89403 [0,0,0,0,0,1|3,0,0]=4 273 B12R2.1081 c1cncc2c1c(ncn2)Cl TS71076 [0,0,0,0,0,1|2,0,0]=3 274 B12R2.1081 c1cncc2c1ccnc2Cl TS90648 [0,0,0,0,0,1|3,0,0]=4 275 B12R2.1081 c1cncc2c1nc[nH]c2=O TS88320 [0,0,0,0,0,1|1,0,2]=4 276 B12R2.1081 c1cncc2c1nccc2Cl TS90010 [0,0,0,0,0,1|3,0,0]=4 277 B12R2.1081 c1cncc2c1nccc2O TS07192 [0,0,0,0,0,1|2,0,0]=3 278 B12R2.1081 c1cncc2c1ncnc2Cl TS42968 [0,0,0,0,0,1|2,0,0]=3 279 B12R2.1081 c1cnnc2c1c(=O)[nH]cn2 TS01669 [0,0,0,0,0,1|0,0,3]=4 280 B9R1.2 CNc1cc(ncn1)Cl TS55580 [1,0,1,0,0,0|1,0,1]=4 281 B9R1.2 c1c(ncnc1Cl)NN TS09660 [1,0,1,0,0,0|1,0,1]=4 282 B9R1.3 Cc1c(c(ncn1)N)Cl TS03276 [1,0,1,0,0,0|2,0,0]=4 283 B9R1.3 Cc1c(c(ncn1)N)I TS25673 [1,0,1,0,0,0|2,0,0]=4 284 B9R1.3 Cc1c(c(ncn1)O)F TS94915 [1,0,1,0,0,0|2,0,0]=4 285 B9R1.3 Cc1c(ncnc1Cl)N TS08428 [1,0,1,0,0,0|1,0,1]=4 286 B9R1.3 Cc1c(ncnc1F)N TS70902 [1,0,1,0,0,0|1,0,1]=4 287 B9R1.3 Cc1c(ncnc1O)C TS32615 [1,0,1,0,0,0|1,0,1]=4 288 B9R1.3 Cc1c(ncnc1O)O TS05142 [1,0,1,0,0,0|1,0,1]=4 289 B9R1.3 c1cnc(c(c1N)Br)O TS16114 [1,0,1,0,0,0|2,0,0]=4 290 B9R1.3 c1cnc(c(c1N)Cl)O TS70878 [1,0,1,0,0,0|2,0,0]=4 291 B9R1.3 c1cnc(c(c1N)N)O TS02527 [1,0,1,0,0,0|1,0,1]=4 292 B9R1.3 c1nc(c(c(n1)Cl)Cl)N TS02979 [1,0,1,0,0,0|2,0,0]=4 293 B9R1.3 c1nc(c(c(n1)Cl)N)N TS55577 [1,0,1,0,0,0|1,0,1]=4 294 B9R1.3 c1nc(c(c(n1)N)N)N TS01665 [1,0,1,0,0,0|1,0,1]=4 295 B9R1.3 c1nc(c(c(n1)O)Br)O TS16998 [1,0,1,0,0,0|2,0,0]=4 296 B9R1.3 c1nc(c(c(n1)O)F)O TS89258 [1,0,1,0,0,0|2,0,0]=4 297 B9R1.3 c1nc(c(c(n1)O)N)N TS50439 [1,0,1,0,0,0|0,0,1]=3 298 B9R1.3 c1nc(c(c(n1)O)N)N TS70821 [1,0,1,0,0,0|0,0,1]=3 299 B9R1.3 c1nc(c(c(n1)O)N)O TS05246 [1,0,1,0,0,0|1,0,1]=4 300 B9R1.3 c1nc(c(c(n1)S)N)N TS06682 [1,0,1,0,0,0|0,1,1]=4 301 B9R1.15 CCc1cncnc1O TS05018 [1,0,1,0,0,0|1,0,1]=4 302 B9R1.15 c1c(c(ncn1)N)C#N TS39735 [1,0,1,0,0,0|0,0,2]=4 303 B9R1.15 c1c(c(ncn1)O)C#N TS03138 [1,0,1,0,0,0|0,0,2]=4 304 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,0,1,0,0,0|2,0,0]=4 305 B9R1.15 c1cc(c(nc1)O)CN TS42244 [1,0,1,0,0,0|1,0,1]=4 306 B9R1.15 c1cncc(c1N)C=O TS70883 [1,0,1,0,0,0|2,0,0]=4 307 B9R1.8 c1c(cncn1)CNN TS87915 [1,0,1,0,0,0|0,0,2]=4 308 B9R1.8 c1cc(cnc1)C=NO TS32495 [1,0,1,0,0,0|2,0,0]=4 309 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,0,1,0,0,0|2,0,0]=4 310 B11R1.464 Cc1nc(c(c(n1)O)N=O)N TS41338 [0,1,1,0,0,0|2,0,0]=4 311 B11R1.464 c1(c(nc(nc1O)N)N)N=O TS41486 [0,1,1,0,0,0|2,0,0]=4 312 B11R1.464 c1(c(nc(nc1O)O)N)N=O TS41582 [0,1,1,0,0,0|2,0,0]=4 313 B11R1.464 c1(c(nc(nc1O)S)N)N=O TS13130 [0,1,1,0,0,0|2,0,0]=4 314 B11R2.1 Cc1c2c([nH]n1)nccn2 TS89715 [1,1,0,0,0,0|2,0,0]=4 315 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [1,1,0,0,0,0|2,0,0]=4 316 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [1,1,0,0,0,0|2,0,0]=4 317 B11R2.1 Cc1c2cccnc2[nH]n1 TS88546 [1,1,0,0,0,0|1,0,0]=3 318 B11R2.1 Cc1c2cnccc2[nH]n1 TS88623 [1,1,0,0,0,0|1,0,0]=3 319 B11R2.1 Cc1c[nH]c2c1cccn2 TS05738 [1,1,0,0,0,0|2,0,0]=4 320 B11R2.1 Cn1c2ccccc2cn1 TS36679 [1,1,0,0,0,0|2,0,0]=4 321 B11R2.1 c1c(c2cncnc2[nH]1)Br TS90274 [1,1,0,0,0,0|1,0,0]=3 322 B11R2.1 c1c(c2cncnc2[nH]1)Cl TS09672 [1,1,0,0,0,0|1,0,0]=3 323 B11R2.1 c1c(c2cncnc2[nH]1)I TS88198 [1,1,0,0,0,0|1,0,0]=3 324 B11R2.1 c1cc2c([nH]nc2Br)nc1 TS91175 [1,1,0,0,0,0|1,0,0]=3 325 B11R2.1 c1cc2c([nH]nc2I)nc1 TS89610 [1,1,0,0,0,0|1,0,0]=3 326 B11R2.1 c1cc2c(c[nH]c2nc1)Br TS09471 [1,1,0,0,0,0|2,0,0]=4 327 B11R2.1 c1cc2c(c[nH]c2nc1)Cl TS41209 [1,1,0,0,0,0|2,0,0]=4 328 B11R2.1 c1cc2c(c[nH]c2nc1)I TS02807 [1,1,0,0,0,0|2,0,0]=4 329 B11R2.1 c1cc2c(c[nH]c2nc1)I TS85593 [1,1,0,0,0,0|2,0,0]=4 330 B11R2.1 c1cc2c(c[nH]c2nc1)N TS59907 [1,1,0,0,0,0|2,0,0]=4 331 B11R2.1 c1cc2c(c[nH]c2nc1)N TS65873 [1,1,0,0,0,0|2,0,0]=4 332 B11R2.1 c1cc2c(n[nH]c2nc1)N TS85316 [1,1,0,0,0,0|1,0,0]=3 333 B11R2.1 c1cc2c(nc1)n(nn2)O TS60133 [1,1,0,0,0,0|2,0,0]=4 334 B11R2.1 c1cc2c(noc2nc1)N TS05975 [1,1,0,0,0,0|2,0,0]=4 335 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [1,1,0,0,0,0|2,0,0]=4 336 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [1,1,0,0,0,0|2,0,0]=4 337 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [1,1,0,0,0,0|2,0,0]=4 338 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [1,1,0,0,0,0|2,0,0]=4 339 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [1,1,0,0,0,0|2,0,0]=4 340 B11R2.1 c1cncc2c1[nH]cc2Br TS18397 [1,1,0,0,0,0|2,0,0]=4 341 B11R2.1 c1cncc2c1[nH]cc2I TS61938 [1,1,0,0,0,0|2,0,0]=4 342 B11R2.1 c1cncc2c1[nH]cc2N TS36758 [1,1,0,0,0,0|2,0,0]=4 343 B11R2.1 c1cncc2c1[nH]nc2Br TS88152 [1,1,0,0,0,0|1,0,0]=3 344 B11R2.1 c1cncc2c1[nH]nc2I TS92944 [1,1,0,0,0,0|1,0,0]=3 345 B11R2.10 Cc1cc2cccnc2[nH]1 TS01126 [1,1,0,0,0,0|2,0,0]=4 346 B11R2.10 Cc1cc2cnccc2[nH]1 TS36678 [1,1,0,0,0,0|2,0,0]=4 347 B11R2.10 c1c2c(ncn1)NC(=O)C2 TS86291 [1,1,0,0,0,0|1,0,1]=4 348 B11R2.10 c1cc2cc([nH]c2nc1)Br TS18392 [1,1,0,0,0,0|2,0,0]=4 349 B11R2.10 c1cc2cc([nH]c2nc1)I TS87877 [1,1,0,0,0,0|2,0,0]=4 350 B11R2.36 Cc1cc2c(cc[nH]2)cn1 TS05742 [1,1,0,0,0,0|2,0,0]=4 351 B11R2.36 Cc1cc2cc[nH]c2nc1 TS36683 [1,1,0,0,0,0|2,0,0]=4 352 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [1,1,0,0,0,0|2,0,0]=4 353 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [1,1,0,0,0,0|2,0,0]=4 354 B11R2.36 Cc1ccc2cn[nH]c2n1 TS36760 [1,1,0,0,0,0|1,0,0]=3 355 B11R2.36 c1c2c(cnc1Br)cn[nH]2 TS91732 [1,1,0,0,0,0|1,0,0]=3 356 B11R2.36 c1c2c(cnc1Cl)cn[nH]2 TS89380 [1,1,0,0,0,0|1,0,0]=3 357 B11R2.36 c1c2cn[nH]c2nc(n1)Cl TS88125 [1,1,0,0,0,0|0,0,0]=2 358 B11R2.36 c1c2cn[nH]c2ncc1Br TS03254 [1,1,0,0,0,0|1,0,0]=3 359 B11R2.36 c1c2cn[nH]c2ncc1F TS85924 [1,1,0,0,0,0|1,0,0]=3 360 B11R2.36 c1c2cn[nH]c2ncc1N TS88131 [1,1,0,0,0,0|1,0,0]=3 361 B11R2.36 c1c[nH]c2c1cc(cn2)Br TS71451 [1,1,0,0,0,0|2,0,0]=4 362 B11R2.36 c1c[nH]c2c1cc(cn2)Cl TS71484 [1,1,0,0,0,0|2,0,0]=4 363 B11R2.36 c1c[nH]c2c1cc(cn2)F TS03300 [1,1,0,0,0,0|2,0,0]=4 364 B11R2.36 c1c[nH]c2c1cc(cn2)I TS61941 [1,1,0,0,0,0|2,0,0]=4 365 B11R2.36 c1c[nH]c2c1cc(cn2)N TS03239 [1,1,0,0,0,0|2,0,0]=4 366 B11R2.36 c1c[nH]c2c1cc(cn2)N TS91549 [1,1,0,0,0,0|2,0,0]=4 367 B11R2.36 c1c[nH]c2c1cc(cn2)O TS00458 [1,1,0,0,0,0|2,0,0]=4 368 B11R2.36 c1c[nH]c2c1cnc(=O)[nH]2 TS05977 [1,1,0,0,0,0|1,0,1]=4 369 B11R2.36 c1c[nH]c2c1cnc(c2)Br TS85649 [1,1,0,0,0,0|2,0,0]=4 370 B11R2.36 c1c[nH]c2c1cnc(c2)Cl TS08425 [1,1,0,0,0,0|2,0,0]=4 371 B11R2.36 c1c[nH]c2c1cnc(c2)F TS36972 [1,1,0,0,0,0|2,0,0]=4 372 B11R2.36 c1c[nH]c2c1cnc(c2)N TS36763 [1,1,0,0,0,0|2,0,0]=4 373 B11R2.36 c1c[nH]c2c1cnc(n2)N TS87508 [1,1,0,0,0,0|1,0,0]=3 374 B11R2.36 c1cc(nc2c1cc[nH]2)Br TS55553 [1,1,0,0,0,0|2,0,0]=4 375 B11R2.36 c1cc(nc2c1cc[nH]2)Cl TS08430 [1,1,0,0,0,0|2,0,0]=4 376 B11R2.36 c1cc(nc2c1cc[nH]2)F TS36971 [1,1,0,0,0,0|2,0,0]=4 377 B11R2.36 c1cc(nc2c1cc[nH]2)I TS61939 [1,1,0,0,0,0|2,0,0]=4 378 B11R2.36 c1cc(nc2c1cc[nH]2)N TS00459 [1,1,0,0,0,0|2,0,0]=4 379 B11R2.36 c1cc(nc2c1cn[nH]2)Cl TS90848 [1,1,0,0,0,0|1,0,0]=3 380 B11R2.36 c1cc2c(cc1Br)cn[nH]2 TS71464 [1,1,0,0,0,0|2,0,0]=4 381 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 TS89463 [1,1,0,0,0,0|2,0,0]=4 382 B11R2.36 c1cc2c(cc1F)cn[nH]2 TS03297 [1,1,0,0,0,0|2,0,0]=4 383 B11R2.36 c1cc2c(cc1I)cn[nH]2 TS03347 [1,1,0,0,0,0|2,0,0]=4 384 B11R2.36 c1cc2c(cc1N)cn[nH]2 TS71375 [1,1,0,0,0,0|2,0,0]=4 385 B11R2.36 c1cc2c(cc1O)cn[nH]2 TS46952 [1,1,0,0,0,0|2,0,0]=4 386 B11R2.36 c1cc2cn[nH]c2cc1Br TS55538 [1,1,0,0,0,0|2,0,0]=4 387 B11R2.36 c1cc2cn[nH]c2cc1Cl TS10256 [1,1,0,0,0,0|2,0,0]=4 388 B11R2.36 c1cc2cn[nH]c2cc1F TS01222 [1,1,0,0,0,0|2,0,0]=4 389 B11R2.36 c1cc2cn[nH]c2cc1I TS01243 [1,1,0,0,0,0|2,0,0]=4 390 B11R2.36 c1cc2cn[nH]c2cc1N TS46953 [1,1,0,0,0,0|2,0,0]=4 391 B11R2.36 c1cc2cn[nH]c2cc1O TS36823 [1,1,0,0,0,0|2,0,0]=4 392 B11R2.36 c1csc2c1cnc(n2)Cl TS85775 [1,1,0,0,0,0|2,0,0]=4 393 B13R2.162 Cc1ccc2c(c1)c(ncn2)O TS11250 [0,1,0,0,0,1|2,0,0]=4 394 B13R2.162 c1c2c(c(ncn2)Cl)nc(n1)Cl TS19136 [0,1,0,0,0,1|2,0,0]=4 395 B13R2.162 c1c2c(cnc1F)ncnc2Cl TS15181 [0,1,0,0,0,1|2,0,0]=4 396 B13R2.162 c1c2c(cnc1F)ncnc2O TS01236 [0,1,0,0,0,1|1,0,0]=3 397 B13R2.328 c1cc2c(nc1)nc(nc2O)O TS42550 [0,1,0,0,0,1|1,0,1]=4 398 B13R2.328 c1cnc2c(n1)c(nc(n2)N)O TS11662 [0,1,0,0,0,1|1,0,1]=4 399 B13R2.328 c1cnc2c(n1)c(nc(n2)S)O TS47880 [0,1,0,0,0,1|1,0,1]=4 400 B13R2.328 c1cncc2c1c(nc(n2)Cl)Cl TS87073 [0,1,0,0,0,1|2,0,0]=4 401 B13R2.4818 c1cc2c(c(c1)F)c(ncn2)O TS11812 [0,1,0,0,0,1|2,0,0]=4 402 B13R2.121 COc1c(ccc2c1cn[nH]2)Br TS24315 [0,2,0,0,0,0|2,0,0]=4 403 B13R2.573 Cn1c2cccc(c2cn1)CO TS90043 [0,2,0,0,0,0|2,0,0]=4 404 B13R2.3742 Cn1c2c(cn1)c(nc(n2)Cl)Cl TS88905 [0,2,0,0,0,0|1,0,0]=3 405 B13R2.3742 Cn1cnc2c1nc(nc2O)N TS42868 [0,2,0,0,0,0|2,0,0]=4 406 B13R2.4825 Cn1c(cc2c1ncnc2Cl)Br TS89050 [0,2,0,0,0,0|2,0,0]=4 407 B13R2.4825 Cn1c(cc2c1ncnc2Cl)I TS90795 [0,2,0,0,0,0|2,0,0]=4 408 B13R2.4857 Cn1c2c(c(ncn2)N)c(n1)I TS89829 [0,2,0,0,0,0|1,0,0]=3 409 B13R2.4857 Cn1cc(c2c1ncnc2Cl)I TS35640 [0,2,0,0,0,0|2,0,0]=4 410 B13R2.5397 Cc1cc2c([nH]1)nc(nc2Cl)Cl TS89014 [0,2,0,0,0,0|2,0,0]=4 411 B13R2.5397 Cc1cc2c([nH]1)nc(nc2Cl)N TS90590 [0,2,0,0,0,0|2,0,0]=4 412 B13R2.582 COc1ccnc2c1c(c[nH]2)Br TS88130 [0,2,0,0,0,0|2,0,0]=4 413 B13R2.582 COc1ccnc2c1c(c[nH]2)I TS74411 [0,2,0,0,0,0|2,0,0]=4 414 B13R2.2091 CSc1c[nH]c2c1c(ncn2)Cl TS88310 [0,2,0,0,0,0|2,0,0]=4 415 B13R2.2091 c1c(c2c([nH]1)ncnc2Cl)C#N TS91285 [0,2,0,0,0,0|2,0,0]=4 416 B13R2.2091 c1c(c2c([nH]1)ncnc2Cl)C=O TS85757 [0,2,0,0,0,0|2,0,0]=4 417 B13R2.2091 c1c(c2c([nH]1)ncnc2Cl)CO TS86484 [0,2,0,0,0,0|2,0,0]=4 418 B13R2.11642 Cc1c[nH]c2c1c(nc(n2)Cl)Cl TS85984 [0,2,0,0,0,0|2,0,0]=4 419 B13R2.11642 Cc1cc(nc2c1c(n[nH]2)N)C TS42463 [0,2,0,0,0,0|2,0,0]=4 420 B13R2.11642 c1c(c2c([nH]1)nc(nc2Cl)Cl)Br TS88316 [0,2,0,0,0,0|2,0,0]=4 421 B13R2.623 COc1cc(cc2c1cn[nH]2)Br TS88508 [0,2,0,0,0,0|2,0,0]=4 422 B13R2.654 CSc1nc2c(cc[nH]2)c(n1)Cl TS90375 [0,2,0,0,0,0|2,0,0]=4 423 B13R2.654 Cc1c2cn[nH]c2nc(n1)SC TS92572 [0,2,0,0,0,0|1,0,0]=3 424 B13R2.5569 B(c1cccc2c1cn[nH]2)(O)O TS88117 [0,2,0,0,0,0|2,0,0]=4 425 B13R2.5569 c1c2c(ncnc2[nH]n1)C(=O)O TS90954 [0,2,0,0,0,0|0,0,0]=2 426 B13R2.5569 c1c[nH]c2c1c(ccn2)C(=O)O TS00461 [0,2,0,0,0,0|2,0,0]=4 427 B13R2.5569 c1c[nH]c2c1c(ncn2)C(=O)O TS87848 [0,2,0,0,0,0|1,0,0]=3 428 B13R2.5569 c1cc(c2cn[nH]c2c1)C(=O)O TS46957 [0,2,0,0,0,0|2,0,0]=4 429 B13R2.5569 c1cnc(c2c1[nH]nc2)C(=O)O TS89675 [0,2,0,0,0,0|1,0,0]=3 430 B13R2.5569 c1cnc2c(c1[N+](=O)[O-])cn[nH]2 TS89390 [0,2,0,0,0,0|1,0,1]=4