0 B14R2.101 c1ccc(cc1)C=Cc2[nH]ccn2 TS45146 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.101 c1ccc(cc1)C=Cc2n[nH]nn2 TS13163 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.101 c1ccc(cc1)CNc2ncco2 TS62412 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.101 c1ccc(cc1)NCC2=NCCN2 TS13721 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.101 c1ccc(cc1)NCc2ccco2 TS13347 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.101 c1ccnc(c1)SCc2ccco2 TS51323 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.100 Cc1ccc(cc1)NCc2ccco2 TS15809 [0,1,0,0,0,0|2,0,0]=3 7 B15R2.100 c1cc(sc1)CNc2ccc(cc2)O TS20016 [0,1,0,0,0,0|2,0,0]=3 8 B15R3.1739 c1ccc-2c(c1)CCc3c2n[nH]c3 TS45140 [0,0,0,1,0,0|3,0,0]=4 9 B15R3.1739 c1ccc2c(c1)ccc3c2[nH]cn3 TS12549 [0,0,0,1,0,0|1,0,1]=3 10 B13R2.64 c1ccc(cc1)CC2=NCCN2 TS11292 [0,0,0,0,1,0|2,0,1]=4 11 B13R2.64 c1ccc(cc1)CC2=NCCN2 TS53778 [0,0,0,0,1,0|2,0,1]=4 12 B13R2.64 c1ccc(cc1)C[n+]2ccsc2 TS28877 [0,0,0,0,1,0|3,0,0]=4 13 B13R2.64 c1ccc(cc1)Cc2[nH]nnn2 TS42164 [0,0,0,0,1,0|2,0,1]=4 14 B13R2.64 c1ccc(cc1)Cn2cccc2 TS41805 [0,0,0,0,1,0|3,0,0]=4 15 B13R2.64 c1ccc(cc1)Cn2cccn2 TS41918 [0,0,0,0,1,0|2,0,0]=3 16 B13R2.64 c1ccc(cc1)Cn2ccnc2 TS41925 [0,0,0,0,1,0|2,0,1]=4 17 B13R2.64 c1ccc(cc1)Cn2cncn2 TS42062 [0,0,0,0,1,0|1,0,1]=3 18 B13R2.64 c1ccc(cc1)Nc2nnns2 TS14206 [0,0,0,0,1,0|2,0,1]=4 19 B13R2.64 c1ccc(cc1)Oc2ccsc2 TS13884 [0,0,0,0,1,0|3,0,0]=4 20 B13R2.64 c1ccnc(c1)Cc2ccco2 TS11126 [0,0,0,0,1,0|3,0,0]=4 21 B15R2.2195 c1ccc(cc1)C=Cc2ccccn2 TS14821 [0,0,0,0,0,1|2,0,1]=4 22 B15R2.2195 c1ccc(cc1)CCc2ccccc2 TS15019 [0,0,0,0,0,1|3,0,0]=4 23 B15R2.2195 c1ccc(cc1)CNc2ccccc2 TS01616 [0,0,0,0,0,1|2,0,0]=3 24 B15R2.2195 c1ccc(cc1)CNc2ccccn2 TS55056 [0,0,0,0,0,1|3,0,0]=4 25 B15R2.2195 c1ccc(cc1)CNc2ccccn2 TS67971 [0,0,0,0,0,1|3,0,0]=4 26 B15R2.2195 c1ccc(cc1)CNc2cccnc2 TS15297 [0,0,0,0,0,1|3,0,0]=4 27 B15R2.2195 c1ccc(cc1)CNc2ccncc2 TS60375 [0,0,0,0,0,1|3,0,0]=4 28 B15R2.2195 c1ccc(cc1)CNc2ccncc2 TS67972 [0,0,0,0,0,1|3,0,0]=4 29 B15R2.2195 c1ccc(cc1)CNc2cnccn2 TS15472 [0,0,0,0,0,1|2,0,1]=4 30 B15R2.2195 c1ccc(cc1)COc2ccccc2 TS48575 [0,0,0,0,0,1|3,0,0]=4 31 B15R2.2195 c1ccc(cc1)CSc2ccccc2 TS19062 [0,0,0,0,0,1|3,0,0]=4 32 B15R2.2195 c1ccc(cc1)NCc2ccccn2 TS08604 [0,0,0,0,0,1|1,0,0]=2 33 B15R2.2195 c1ccc(cc1)NCc2ccccn2 TS49886 [0,0,0,0,0,1|1,0,0]=2 34 B15R2.2195 c1ccc(cc1)NNc2ccccc2 TS46966 [0,0,0,0,0,1|3,0,0]=4 35 B15R2.2196 c1cc(oc1)CNCc2ccncc2 TS50752 [0,0,0,0,0,1|3,0,0]=4 36 B15R2.2196 c1ccc(cc1)CNCc2ccco2 TS15810 [0,0,0,0,0,1|2,0,0]=3 37 B15R2.2196 c1ccc(cc1)CNCc2cccs2 TS38494 [0,0,0,0,0,1|2,0,0]=3 38 B12R1.27 c1ccc(cc1)OCC(=NO)N TS43060 [1,0,1,0,0,0|2,0,0]=4 39 B14R2.19 c1ccc(cc1)CC2=NC(=S)SC2 TS20426 [0,1,0,0,1,0|1,0,1]=4 40 B14R2.19 c1ccc(cc1)Cn2cc(cn2)I TS64990 [0,1,0,0,1,0|2,0,0]=4 41 B14R2.19 c1ccc(cc1)NC2=NC(=O)CS2 TS17497 [0,1,0,0,1,0|2,0,0]=4 42 B14R2.19 c1ccc(cc1)Nc2nc(ns2)N TS51486 [0,1,0,0,1,0|1,0,1]=4 43 B14R2.30 c1ccc(cc1)Cn2c(ccn2)N TS13371 [0,1,0,0,1,0|2,0,0]=4 44 B14R2.50 c1ccc(c(c1)Cc2n[nH]nn2)Br TS26314 [0,1,0,0,1,0|2,0,0]=4 45 B14R2.50 c1ccc(c(c1)Cc2n[nH]nn2)Cl TS51934 [0,1,0,0,1,0|2,0,0]=4 46 B14R2.72 c1cc(ccc1Cc2n[nH]nn2)Br TS26312 [0,1,0,0,1,0|2,0,0]=4 47 B14R2.72 c1cc(ccc1Cc2n[nH]nn2)Cl TS51936 [0,1,0,0,1,0|2,0,0]=4 48 B14R2.72 c1cc(ccc1Cn2cncn2)N TS21035 [0,1,0,0,1,0|1,0,1]=4 49 B14R2.72 c1cc(ccc1Cn2cncn2)N TS70850 [0,1,0,0,1,0|1,0,1]=4 50 B14R2.72 c1cc(ccc1Cn2cncn2)O TS45961 [0,1,0,0,1,0|1,0,1]=4 51 B14R2.72 c1cnn(c1)Cc2ccc(cc2)N TS45651 [0,1,0,0,1,0|2,0,0]=4 52 B14R2.114 c1ccc(cc1)C(c2[nH]ccn2)O TS13511 [0,1,0,0,1,0|2,0,0]=4 53 B14R2.114 c1ccc(cc1)C(c2ccco2)N TS20817 [0,1,0,0,1,0|2,0,0]=4 54 B14R2.114 c1ccc(cc1)C(c2ccco2)O TS13491 [0,1,0,0,1,0|2,0,0]=4 55 B14R2.114 c1ccc(cc1)C(c2cccs2)N TS52244 [0,1,0,0,1,0|2,0,0]=4 56 B14R2.114 c1ccc(cc1)C(c2cccs2)O TS17127 [0,1,0,0,1,0|2,0,0]=4 57 B14R2.716 c1cc(cc(c1)Br)Cc2n[nH]nn2 TS26313 [0,1,0,0,1,0|2,0,0]=4 58 B14R2.716 c1cc(cc(c1)N)Cn2cccn2 TS45659 [0,1,0,0,1,0|2,0,0]=4 59 B14R2.716 c1cc(cc(c1)N)Cn2cncn2 TS13524 [0,1,0,0,1,0|1,0,1]=4 60 B16R2.88 CN(Cc1ccccc1)c2ccccc2 TS53890 [0,1,0,0,0,1|2,0,0]=4 61 B16R2.88 c1ccc(cc1)C(=O)Cc2ccncn2 TS18628 [0,1,0,0,0,1|1,0,1]=4 62 B16R2.88 c1ccc(cc1)C(=O)Cc2ncccn2 TS59913 [0,1,0,0,0,1|2,0,0]=4 63 B16R2.88 c1ccc(cc1)CN(c2ccccc2)N TS54060 [0,1,0,0,0,1|2,0,0]=4 64 B16R2.88 c1ccc(cc1)CN(c2ccccc2)N TS56580 [0,1,0,0,0,1|2,0,0]=4 65 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 TS18629 [0,1,0,0,0,1|1,0,1]=4 66 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 TS25653 [0,1,0,0,0,1|1,0,1]=4 67 B16R2.132 Cc1ccc(cc1)NCc2ccccc2 TS53892 [0,1,0,0,0,1|2,0,0]=4 68 B16R2.132 c1cc(cnc1)CNc2ccc(cc2)Br TS29892 [0,1,0,0,0,1|1,0,0]=3 69 B16R2.252 Cc1cccc(c1)NCc2ccccc2 TS53883 [0,1,0,0,0,1|2,0,0]=4 70 B16R2.135 Cc1ccc(cc1)CNCc2ccco2 TS19246 [0,1,0,0,0,1|2,0,0]=4 71 B16R2.2959 Cc1ccccc1CNCc2ccco2 TS19236 [0,1,0,0,0,1|2,0,0]=4 72 B16R2.2959 c1ccc(c(c1)CNCc2ccco2)Cl TS23369 [0,1,0,0,0,1|2,0,0]=4 73 B16R2.101 c1ccc(cc1)NC(C#N)c2cccs2 TS21721 [0,2,0,0,0,0|2,0,0]=4 74 B16R2.42 COc1ccc(cc1)NCc2ccco2 TS38461 [0,2,0,0,0,0|2,0,0]=4 75 B16R2.25778 Cc1cccc(c1CCc2c[nH]cn2)C TS19053 [0,2,0,0,0,0|1,0,0]=3 76 B14R2.6 c1ccc(cc1)Nc2ccccn2 TS45144 [0,0,1,1,0,0|1,0,1]=4 77 B14R2.6 c1ccc(cc1)Nc2cccnc2 TS45149 [0,0,1,1,0,0|1,0,1]=4 78 B16R3.5925 c1ccc2c(c1)[nH]c(n2)c3cscn3 TS19228 [0,1,0,1,0,0|1,0,1]=4 79 B12R2.2 c1cc(cnc1)c2c[nH]cn2 TS07098 [0,0,0,0,2,0|1,0,0]=3 80 B12R2.2 c1ccc(cc1)c2[nH]ccn2 TS06961 [0,0,0,0,2,0|2,0,0]=4 81 B12R2.2 c1ccc(cc1)c2c[nH]cn2 TS40184 [0,0,0,0,2,0|0,0,0]=2 82 B12R2.2 c1ccc(cc1)c2c[nH]nn2 TS09763 [0,0,0,0,2,0|1,0,0]=3 83 B12R2.2 c1ccc(cc1)c2cc[nH]n2 TS32943 [0,0,0,0,2,0|2,0,0]=4 84 B12R2.2 c1ccc(cc1)c2ccc[nH]2 TS06875 [0,0,0,0,2,0|1,0,1]=4 85 B12R2.2 c1ccc(cc1)c2ccco2 TS06959 [0,0,0,0,2,0|2,0,0]=4 86 B12R2.2 c1ccc(cc1)c2cccs2 TS11300 [0,0,0,0,2,0|2,0,0]=4 87 B12R2.2 c1ccc(cc1)c2ccon2 TS07088 [0,0,0,0,2,0|2,0,0]=4 88 B12R2.2 c1ccc(cc1)c2ccsc2 TS11297 [0,0,0,0,2,0|2,0,0]=4 89 B12R2.2 c1ccc(cc1)c2cncs2 TS11439 [0,0,0,0,2,0|1,0,1]=4 90 B12R2.2 c1ccc(cc1)c2cscn2 TS42332 [0,0,0,0,2,0|1,0,0]=3 91 B12R2.2 c1ccc(cc1)c2csnn2 TS42479 [0,0,0,0,2,0|2,0,0]=4 92 B12R2.2 c1ccc(cc1)c2nccs2 TS11436 [0,0,0,0,2,0|2,0,0]=4 93 B12R2.2 c1ccc(cc1)n2cccn2 TS40183 [0,0,0,0,2,0|2,0,0]=4 94 B16R2.2256 c1cc(cnc1)CNCc2cccnc2 TS37761 [0,0,0,0,0,2|2,0,0]=4 95 B16R2.2256 c1ccc(cc1)CCCc2ccccn2 TS53881 [0,0,0,0,0,2|2,0,0]=4 96 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 TS53537 [0,0,0,0,0,2|2,0,0]=4 97 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 TS54058 [0,0,0,0,0,2|1,0,0]=3 98 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 TS54057 [0,0,0,0,0,2|1,0,0]=3 99 B16R2.2256 c1ccc(cc1)CNCc2ccncc2 TS54062 [0,0,0,0,0,2|1,0,1]=4