0 B11R2.106 Cc1cccc2c1cn[nH]2 H37039 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.106 c1[nH]c2c(n1)ncnc2Cl A11202 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.106 c1[nH]c2c(n1)ncnc2O A11481 [0,0,0,0,0,0|2,0,1]=3 3 B11R2.106 c1[nH]c2c(n1)ncnc2S A12197 [0,0,0,0,0,0|2,1,1]=4 4 B11R2.106 c1[nH]c2c(ncnc2n1)N A14906 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.106 c1[nH]c2c(ncnc2n1)N A16964 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.106 c1[nH]c2c(ncnc2n1)N A17622 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.106 c1c2c([nH]n1)ncnc2O A16974 [0,0,0,0,0,0|0,0,0]=0 8 B11R2.106 c1c2c([nH]n1)ncnc2S B22919 [0,0,0,0,0,0|0,1,0]=1 9 B11R2.106 c1c2c(ncnc2[nH]n1)N L03519 [0,0,0,0,0,0|1,0,0]=1 10 B11R2.106 c1c[nH]c2c1c(ccn2)Br H66114 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.106 c1c[nH]c2c1c(ccn2)Cl H56734 [0,0,0,0,0,0|3,0,0]=3 12 B11R2.106 c1c[nH]c2c1c(ncn2)Cl B25713 [0,0,0,0,0,0|2,0,0]=2 13 B11R2.106 c1c[nH]c2c1c(ncn2)N H64602 [0,0,0,0,0,0|2,0,0]=2 14 B11R2.106 c1c[nH]c2c1c(ncn2)N H66987 [0,0,0,0,0,0|2,0,0]=2 15 B11R2.106 c1cc(c2cc[nH]c2c1)N L17792 [0,0,0,0,0,0|4,0,0]=4 16 B11R2.106 c1cc2c(c(c1)O)nn[nH]2 H25843 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br L19417 [0,0,0,0,0,0|4,0,0]=4 18 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl H66153 [0,0,0,0,0,0|4,0,0]=4 19 B11R2.106 c1cc2c(cc[nH]2)c(c1)F H56011 [0,0,0,0,0,0|4,0,0]=4 20 B11R2.106 c1cc2c(cc[nH]2)c(c1)O L14352 [0,0,0,0,0,0|3,0,0]=3 21 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br H64527 [0,0,0,0,0,0|3,0,0]=3 22 B11R2.106 c1cc2c(cn[nH]2)c(c1)Cl H37416 [0,0,0,0,0,0|3,0,0]=3 23 B11R2.106 c1cnc(c2c1scc2)Cl H29157 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.106 c1cnc-2[nH]cnc(c12)O H64537 [0,0,0,0,0,0|1,0,2]=3 25 B11R2.106 c1cnc2c(c1Cl)cn[nH]2 H66767 [0,0,0,0,0,0|2,0,0]=2 26 B11R2.106 c1cnc2ccsc2c1O H50172 [0,0,0,0,0,0|4,0,0]=4 27 B10R2.7 c1c[nH]c2c1cncc2 H64272 [1,0,0,0,0,0|2,0,0]=3 28 B10R2.7 c1cc2c(nc1)NCC2 H64551 [1,0,0,0,0,0|2,0,1]=4 29 B10R2.7 c1cc2cc[nH]c2nc1 L07983 [1,0,0,0,0,0|2,0,0]=3 30 B10R2.7 c1cc2cn[nH]c2nc1 H61710 [1,0,0,0,0,0|1,0,0]=2 31 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [1,0,0,0,0,0|3,0,0]=4 32 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,0,0,0|3,0,0]=4 33 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,0,0,0|2,0,0]=3 34 B10R2.7 c1ccc2c(c1)cno2 B23400 [1,0,0,0,0,0|3,0,0]=4 35 B10R2.7 c1cncc2c1[nH]cn2 L06930 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.202 Cc1cc2c([nH]1)cccc2O H54770 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.203 c1c(c2c([nH]1)ncnc2Cl)Br H59833 [0,1,0,0,0,0|2,0,0]=3 38 B12R2.203 c1c(c2c([nH]1)ncnc2Cl)I H51128 [0,1,0,0,0,0|2,0,0]=3 39 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)N H33460 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)I H36741 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N H34143 [0,1,0,0,0,0|3,0,0]=4 42 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)N H64990 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.203 c1nc(c2c(n1)[nH]nc2I)N H52572 [0,1,0,0,0,0|1,0,0]=2 44 B12R2.246 c1c2c([nH]n1)nc(nc2O)O L07160 [0,1,0,0,0,0|0,0,0]=1 45 B12R2.246 c1c2c([nH]n1)nc(nc2O)S L06836 [0,1,0,0,0,0|0,0,0]=1 46 B12R2.246 c1c2c(nc(nc2[nH]n1)O)N L03691 [0,1,0,0,0,0|1,0,0]=2 47 B12R2.246 c1c2c(nc(nc2[nH]n1)S)N L06934 [0,1,0,0,0,0|1,0,0]=2 48 B12R2.246 c1c[nH]c2c1c(nc(n2)Cl)Cl H64227 [0,1,0,0,0,0|2,0,0]=3 49 B12R2.246 c1c[nH]c2c1c(nc(n2)N)Cl H66806 [0,1,0,0,0,0|2,0,0]=3 50 B12R2.246 c1cnc-2[nH]c(nc(c12)O)N H54595 [0,1,0,0,0,0|1,0,2]=4 51 B12R2.315 COc1cccc2c1cc[nH]2 L19069 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [0,0,1,0,0,0|2,0,0]=3 53 B10R1.4 c1ccc(c(c1)\C=N\O)O A11080 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.245 c1nc(c(c(n1)Cl)C=O)Cl H54449 [0,0,1,0,0,0|3,0,0]=4 55 B10R1.245 c1nc(c(c(n1)Cl)C=O)N H33968 [0,0,1,0,0,0|2,0,0]=3 56 B12R2.1081 c1cc2cnccc2c(c1)O B25052 [0,0,0,0,0,1|3,0,0]=4 57 B12R2.1081 c1ccc2c(c1)c(ccn2)O A15859 [0,0,0,0,0,1|3,0,0]=4 58 B12R2.1081 c1ccc2c(c1)c(ncn2)N H66948 [0,0,0,0,0,1|3,0,0]=4 59 B12R2.1081 c1ccc2c(c1)c(ncn2)O A17129 [0,0,0,0,0,1|2,0,0]=3 60 B12R2.1081 c1ccc2c(c1)ccnc2O H29124 [0,0,0,0,0,1|3,0,0]=4 61 B9R1.3 Cc1c(ncnc1Cl)O H32440 [1,0,1,0,0,0|1,0,1]=4 62 B9R1.3 c1nc(c(c(n1)Cl)Br)N H64369 [1,0,1,0,0,0|2,0,0]=4 63 B9R1.3 c1nc(c(c(n1)Cl)Cl)N H64691 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.3 c1nc(c(c(n1)N)N)N B21369 [1,0,1,0,0,0|1,0,1]=4 65 B9R1.15 c1c(c(ncn1)N)C#N 43627 [1,0,1,0,0,0|0,0,2]=4 66 B9R1.15 c1c(c(ncn1)N)C=O H35706 [1,0,1,0,0,0|1,0,0]=3 67 B9R1.15 c1cc(c(nc1)N)C=O L19620 [1,0,1,0,0,0|2,0,0]=4 68 B9R1.15 c1cncc(c1N)C=O H50028 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.8 c1cc(cnc1)\C=N\O B25679 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.464 c1(c(nc(nc1O)N)N)N=O A10147 [0,1,1,0,0,0|2,0,0]=4 71 B11R2.1 Cc1c2cccnc2[nH]n1 H61397 [1,1,0,0,0,0|1,0,0]=3 72 B11R2.1 c1cc2c(c[nH]c2nc1)Br H66137 [1,1,0,0,0,0|2,0,0]=4 73 B11R2.1 c1cc2c(c[nH]c2nc1)I H59457 [1,1,0,0,0,0|2,0,0]=4 74 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [1,1,0,0,0,0|2,0,0]=4 75 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [1,1,0,0,0,0|2,0,0]=4 76 B11R2.36 Cc1ccc2c(c1)cn[nH]2 H31828 [1,1,0,0,0,0|2,0,0]=4 77 B11R2.36 c1c2cn[nH]c2ncc1Br H66411 [1,1,0,0,0,0|1,0,0]=3 78 B11R2.36 c1c[nH]c2c1cc(cn2)Br H50040 [1,1,0,0,0,0|2,0,0]=4 79 B11R2.36 c1c[nH]c2c1cc(cn2)Cl H66268 [1,1,0,0,0,0|2,0,0]=4 80 B11R2.36 c1c[nH]c2c1cc(cn2)N H35382 [1,1,0,0,0,0|2,0,0]=4 81 B11R2.36 c1cc(nc2c1cc[nH]2)Br H66863 [1,1,0,0,0,0|2,0,0]=4 82 B11R2.36 c1cc(nc2c1cc[nH]2)Cl H66655 [1,1,0,0,0,0|2,0,0]=4 83 B11R2.36 c1cc2c(cc1Br)cn[nH]2 H54673 [1,1,0,0,0,0|2,0,0]=4 84 B11R2.36 c1cc2c(cc1F)cn[nH]2 H26033 [1,1,0,0,0,0|2,0,0]=4 85 B11R2.36 c1cc2c(cc1N)cn[nH]2 L06705 [1,1,0,0,0,0|2,0,0]=4 86 B11R2.36 c1cc2cn[nH]c2cc1Br H32623 [1,1,0,0,0,0|2,0,0]=4 87 B11R2.36 c1cc2cn[nH]c2cc1Cl H37529 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.328 c1cnc2c(n1)c(nc(n2)O)O L06732 [0,1,0,0,0,1|1,0,1]=4 89 B13R2.4857 Cn1cc(c2c1ncnc2Cl)Br H59364 [0,2,0,0,0,0|2,0,0]=4 90 B13R2.4857 Cn1cc(c2c1ncnc2N)Br H59897 [0,2,0,0,0,0|2,0,0]=4 91 B13R2.582 COc1cccc2c1c(n[nH]2)N H33750 [0,2,0,0,0,0|2,0,0]=4 92 B13R2.5569 c1c[nH]c2c1c(ccn2)C(=O)O H33139 [0,2,0,0,0,0|2,0,0]=4 93 B13R2.5569 c1cc(c2cn[nH]c2c1)C(=O)O H34115 [0,2,0,0,0,0|2,0,0]=4