0 B17R3.1941 C1=C(CCCC1)c2cc3[nH]ncc3cn2 271570a_100000062251_100009872621 [0,0,0,0,0,0|4,0,0]=4 1 B17R3.1941 C1=C(CCCC1)c2cc3cn[nH]c3cn2 271570a_100000062251_100009820118 [0,0,0,0,0,0|4,0,0]=4 2 B17R3.1941 C1=C(CCCC1)c2ccc3[nH]ccc3c2 271570a_100000062251_100000211741 [0,0,0,0,0,0|4,0,0]=4 3 B17R3.1941 C1=C(CCCC1)c2ccc3[nH]ncc3c2 271570a_100000062251_100000049815 [0,0,0,0,0,0|3,0,0]=3 4 B17R3.1941 C1=C(CCCC1)c2ccc3[nH]ncc3n2 271570a_100000062251_100000082131 [0,0,0,0,0,0|4,0,0]=4 5 B17R3.1941 C1=C(CCCC1)c2ccc3cc[nH]c3c2 271570a_100000062251_100000743809 [0,0,0,0,0,0|4,0,0]=4 6 B17R3.1941 C1=C(CCCC1)c2ccc3ccnn3c2 271570a_100000062251_100009820231 [0,0,0,0,0,0|3,0,0]=3 7 B17R3.1941 C1=C(CCCC1)c2ccc3ccoc3c2 271570a_100000062251_100000759542 [0,0,0,0,0,0|4,0,0]=4 8 B17R3.1941 C1=C(CCCC1)c2ccc3ccsc3c2 271570a_100000062251_100009888917 [0,0,0,0,0,0|4,0,0]=4 9 B17R3.1941 C1=C(CCCC1)c2ccc3cn[nH]c3c2 271570a_100000062251_100000049514 [0,0,0,0,0,0|3,0,0]=3 10 B17R3.1941 C1=C(CCCC1)c2ccc3cn[nH]c3n2 271570a_100000062251_100009883947 [0,0,0,0,0,0|4,0,0]=4 11 B17R3.1941 C1=C(CCCC1)c2ccc3cncn3c2 271570a_100000062251_100009887162 [0,0,0,0,0,0|1,0,0]=1 12 B17R3.1941 C1=C(CCCC1)c2ccc3cnoc3c2 271570a_100000062251_100009817722 [0,0,0,0,0,0|3,0,0]=3 13 B17R3.1941 C1=C(CCCC1)c2ccc3cscc3c2 271570a_100000062251_200010760811 [0,0,0,0,0,0|3,0,0]=3 14 B17R3.1941 C1=C(CCCC1)c2ccc3csnc3c2 271570a_100000062251_100010170880 [0,0,0,0,0,0|4,0,0]=4 15 B17R3.1941 C1=C(CCCC1)c2ccc3nccn3c2 271570a_100000062251_100000746083 [0,0,0,0,0,0|3,0,0]=3 16 B17R3.1941 C1=C(CCCC1)c2ccc3nccn3n2 271570a_100000062251_100009883166 [0,0,0,0,0,0|4,0,0]=4 17 B17R3.1941 C1=C(CCCC1)c2ccc3ncnn3c2 271570a_100000062251_100009816971 [0,0,0,0,0,0|4,0,0]=4 18 B17R3.1941 C1=C(CCCC1)c2ccc3nn[nH]c3c2 271570a_100000062251_100009817464 [0,0,0,0,0,0|4,0,0]=4 19 B17R3.1941 C1=C(CCCC1)c2ccc3nncn3c2 271570a_100000062251_100000764363 [0,0,0,0,0,0|2,0,0]=2 20 B17R3.1941 C1=C(CCCC1)c2ccc3nncn3n2 271570a_100000062251_100000185652 [0,0,0,0,0,0|3,0,0]=3 21 B17R3.1941 C1=C(CCCC1)c2ccc3nnnn3c2 271570a_100000062251_100009817084 [0,0,0,0,0,0|3,0,0]=3 22 B17R3.1941 C1=C(CCCC1)c2ccc3occc3c2 271570a_100000062251_100012343831 [0,0,0,0,0,0|4,0,0]=4 23 B17R3.1941 C1=C(CCCC1)c2ccc3oncc3c2 271570a_100000062251_100009817723 [0,0,0,0,0,0|3,0,0]=3 24 B17R3.1941 C1=C(CCCC1)c2ccc3sccc3c2 271570a_100000062251_100009814439 [0,0,0,0,0,0|4,0,0]=4 25 B17R3.1941 C1=C(CCCC1)c2ccn3cnnc3c2 271570a_100000062251_100009819662 [0,0,0,0,0,0|4,0,0]=4 26 B17R3.1941 C1=C(CCCC1)c2ccn3nncc3c2 271570a_100000062251_100009820036 [0,0,0,0,0,0|4,0,0]=4 27 B17R3.1941 C1=C(CCCC1)c2cn3ccnc3cn2 271570a_100000062251_102495339940 [0,0,0,0,0,0|4,0,0]=4 28 B17R3.1941 C1=C(CCCC1)c2cn3cnnc3cn2 271570a_100000062251_100015552654 [0,0,0,0,0,0|3,0,0]=3 29 B17R3.1941 C1=C(CCCC1)c2cnc3[nH]ncc3c2 271570a_100000062251_100009814530 [0,0,0,0,0,0|4,0,0]=4 30 B17R3.1941 C1=C(CCCC1)c2cnc3ccnn3c2 271570a_100000062251_100011349234 [0,0,0,0,0,0|4,0,0]=4 31 B17R3.1941 C1=C(CCCC1)c2cnc3cn[nH]c3c2 271570a_100000062251_100009844038 [0,0,0,0,0,0|4,0,0]=4 32 B17R3.1941 C1=C(CCCC1)c2cnc3nccn3c2 271570a_100000062251_100000764708 [0,0,0,0,0,0|4,0,0]=4 33 B17R3.1941 C1=C(CCCC1)c2cnc3nncn3c2 271570a_100000062251_100009814486 [0,0,0,0,0,0|3,0,0]=3 34 B17R3.1941 C1=C(CCCO1)c2ccc3[nH]ncc3c2 271570a_100010175576_100000049815 [0,0,0,0,0,0|4,0,0]=4 35 B17R3.1941 C1=C(CCCO1)c2ccc3ccnn3c2 271570a_100010175576_100009820231 [0,0,0,0,0,0|4,0,0]=4 36 B17R3.1941 C1=C(CCCO1)c2ccc3cn[nH]c3c2 271570a_100010175576_100000049514 [0,0,0,0,0,0|4,0,0]=4 37 B17R3.1941 C1=C(CCCO1)c2ccc3cncn3c2 271570a_100010175576_100009887162 [0,0,0,0,0,0|2,0,0]=2 38 B17R3.1941 C1=C(CCCO1)c2ccc3cnoc3c2 271570a_100010175576_100009817722 [0,0,0,0,0,0|4,0,0]=4 39 B17R3.1941 C1=C(CCCO1)c2ccc3cscc3c2 271570a_100010175576_200010760811 [0,0,0,0,0,0|4,0,0]=4 40 B17R3.1941 C1=C(CCCO1)c2ccc3nccn3c2 271570a_100010175576_100000746083 [0,0,0,0,0,0|4,0,0]=4 41 B17R3.1941 C1=C(CCCO1)c2ccc3nncn3c2 271570a_100010175576_100000764363 [0,0,0,0,0,0|3,0,0]=3 42 B17R3.1941 C1=C(CCCO1)c2ccc3nncn3n2 271570a_100010175576_100000185652 [0,0,0,0,0,0|4,0,0]=4 43 B17R3.1941 C1=C(CCCO1)c2ccc3nnnn3c2 271570a_100010175576_100009817084 [0,0,0,0,0,0|4,0,0]=4 44 B17R3.1941 C1=C(CCCO1)c2ccc3oncc3c2 271570a_100010175576_100009817723 [0,0,0,0,0,0|4,0,0]=4 45 B17R3.1941 C1=C(CCCO1)c2cn3cnnc3cn2 271570a_100010175576_100015552654 [0,0,0,0,0,0|4,0,0]=4 46 B17R3.1941 C1=C(CCCO1)c2cnc3nncn3c2 271570a_100010175576_100009814486 [0,0,0,0,0,0|4,0,0]=4 47 B17R3.1941 C1=C(CCNC1)c2ccc3[nH]ncc3c2 271570a_100000731432_100000049815 [0,0,0,0,0,0|4,0,0]=4 48 B17R3.1941 C1=C(CCNC1)c2ccc3ccnn3c2 271570a_100000731432_100009820231 [0,0,0,0,0,0|4,0,0]=4 49 B17R3.1941 C1=C(CCNC1)c2ccc3cn[nH]c3c2 271570a_100000731432_100000049514 [0,0,0,0,0,0|4,0,0]=4 50 B17R3.1941 C1=C(CCNC1)c2ccc3cncn3c2 271570a_100000731432_100009887162 [0,0,0,0,0,0|2,0,0]=2 51 B17R3.1941 C1=C(CCNC1)c2ccc3cnoc3c2 271570a_100000731432_100009817722 [0,0,0,0,0,0|4,0,0]=4 52 B17R3.1941 C1=C(CCNC1)c2ccc3cscc3c2 271570a_100000731432_200010760811 [0,0,0,0,0,0|4,0,0]=4 53 B17R3.1941 C1=C(CCNC1)c2ccc3nccn3c2 271570a_100000731432_100000746083 [0,0,0,0,0,0|4,0,0]=4 54 B17R3.1941 C1=C(CCNC1)c2ccc3nncn3c2 271570a_100000731432_100000764363 [0,0,0,0,0,0|3,0,0]=3 55 B17R3.1941 C1=C(CCNC1)c2ccc3nncn3n2 271570a_100000731432_100000185652 [0,0,0,0,0,0|4,0,0]=4 56 B17R3.1941 C1=C(CCNC1)c2ccc3nnnn3c2 271570a_100000731432_100009817084 [0,0,0,0,0,0|4,0,0]=4 57 B17R3.1941 C1=C(CCNC1)c2ccc3oncc3c2 271570a_100000731432_100009817723 [0,0,0,0,0,0|4,0,0]=4 58 B17R3.1941 C1=C(CCNC1)c2cn3cnnc3cn2 271570a_100000731432_100015552654 [0,0,0,0,0,0|4,0,0]=4 59 B17R3.1941 C1=C(CCNC1)c2cnc3nncn3c2 271570a_100000731432_100009814486 [0,0,0,0,0,0|4,0,0]=4 60 B17R3.1941 C1=C(CCOC1)c2ccc3[nH]ncc3c2 271570a_100000070234_100000049815 [0,0,0,0,0,0|4,0,0]=4 61 B17R3.1941 C1=C(CCOC1)c2ccc3ccnn3c2 271570a_100000070234_100009820231 [0,0,0,0,0,0|4,0,0]=4 62 B17R3.1941 C1=C(CCOC1)c2ccc3cn[nH]c3c2 271570a_100000070234_100000049514 [0,0,0,0,0,0|4,0,0]=4 63 B17R3.1941 C1=C(CCOC1)c2ccc3cncn3c2 271570a_100000070234_100009887162 [0,0,0,0,0,0|2,0,0]=2 64 B17R3.1941 C1=C(CCOC1)c2ccc3cnoc3c2 271570a_100000070234_100009817722 [0,0,0,0,0,0|4,0,0]=4 65 B17R3.1941 C1=C(CCOC1)c2ccc3cscc3c2 271570a_100000070234_200010760811 [0,0,0,0,0,0|4,0,0]=4 66 B17R3.1941 C1=C(CCOC1)c2ccc3nccn3c2 271570a_100000070234_100000746083 [0,0,0,0,0,0|4,0,0]=4 67 B17R3.1941 C1=C(CCOC1)c2ccc3nncn3c2 271570a_100000070234_100000764363 [0,0,0,0,0,0|3,0,0]=3 68 B17R3.1941 C1=C(CCOC1)c2ccc3nncn3n2 271570a_100000070234_100000185652 [0,0,0,0,0,0|4,0,0]=4 69 B17R3.1941 C1=C(CCOC1)c2ccc3nnnn3c2 271570a_100000070234_100009817084 [0,0,0,0,0,0|4,0,0]=4 70 B17R3.1941 C1=C(CCOC1)c2ccc3oncc3c2 271570a_100000070234_100009817723 [0,0,0,0,0,0|4,0,0]=4 71 B17R3.1941 C1=C(CCOC1)c2cn3cnnc3cn2 271570a_100000070234_100015552654 [0,0,0,0,0,0|4,0,0]=4 72 B17R3.1941 C1=C(CCOC1)c2cnc3nncn3c2 271570a_100000070234_100009814486 [0,0,0,0,0,0|4,0,0]=4 73 B17R3.1941 C1=C(CCSC1)c2ccc3[nH]ncc3c2 271570a_100010232141_100000049815 [0,0,0,0,0,0|4,0,0]=4 74 B17R3.1941 C1=C(CCSC1)c2ccc3ccnn3c2 271570a_100010232141_100009820231 [0,0,0,0,0,0|4,0,0]=4 75 B17R3.1941 C1=C(CCSC1)c2ccc3cn[nH]c3c2 271570a_100010232141_100000049514 [0,0,0,0,0,0|4,0,0]=4 76 B17R3.1941 C1=C(CCSC1)c2ccc3cncn3c2 271570a_100010232141_100009887162 [0,0,0,0,0,0|2,0,0]=2 77 B17R3.1941 C1=C(CCSC1)c2ccc3cnoc3c2 271570a_100010232141_100009817722 [0,0,0,0,0,0|4,0,0]=4 78 B17R3.1941 C1=C(CCSC1)c2ccc3cscc3c2 271570a_100010232141_200010760811 [0,0,0,0,0,0|4,0,0]=4 79 B17R3.1941 C1=C(CCSC1)c2ccc3nccn3c2 271570a_100010232141_100000746083 [0,0,0,0,0,0|4,0,0]=4 80 B17R3.1941 C1=C(CCSC1)c2ccc3nncn3c2 271570a_100010232141_100000764363 [0,0,0,0,0,0|3,0,0]=3 81 B17R3.1941 C1=C(CCSC1)c2ccc3nncn3n2 271570a_100010232141_100000185652 [0,0,0,0,0,0|4,0,0]=4 82 B17R3.1941 C1=C(CCSC1)c2ccc3nnnn3c2 271570a_100010232141_100009817084 [0,0,0,0,0,0|4,0,0]=4 83 B17R3.1941 C1=C(CCSC1)c2ccc3oncc3c2 271570a_100010232141_100009817723 [0,0,0,0,0,0|4,0,0]=4 84 B17R3.1941 C1=C(CCSC1)c2cn3cnnc3cn2 271570a_100010232141_100015552654 [0,0,0,0,0,0|4,0,0]=4 85 B17R3.1941 C1=C(CCSC1)c2cnc3nncn3c2 271570a_100010232141_100009814486 [0,0,0,0,0,0|4,0,0]=4 86 B17R3.1941 C1=C(OCCC1)c2ccc3[nH]ncc3c2 271570a_100010177797_100000049815 [0,0,0,0,0,0|4,0,0]=4 87 B17R3.1941 C1=C(OCCC1)c2ccc3ccnn3c2 271570a_100010177797_100009820231 [0,0,0,0,0,0|4,0,0]=4 88 B17R3.1941 C1=C(OCCC1)c2ccc3cn[nH]c3c2 271570a_100010177797_100000049514 [0,0,0,0,0,0|4,0,0]=4 89 B17R3.1941 C1=C(OCCC1)c2ccc3cncn3c2 271570a_100010177797_100009887162 [0,0,0,0,0,0|2,0,0]=2 90 B17R3.1941 C1=C(OCCC1)c2ccc3cnoc3c2 271570a_100010177797_100009817722 [0,0,0,0,0,0|4,0,0]=4 91 B17R3.1941 C1=C(OCCC1)c2ccc3cscc3c2 271570a_100010177797_200010760811 [0,0,0,0,0,0|4,0,0]=4 92 B17R3.1941 C1=C(OCCC1)c2ccc3nccn3c2 271570a_100010177797_100000746083 [0,0,0,0,0,0|4,0,0]=4 93 B17R3.1941 C1=C(OCCC1)c2ccc3nncn3c2 271570a_100010177797_100000764363 [0,0,0,0,0,0|3,0,0]=3 94 B17R3.1941 C1=C(OCCC1)c2ccc3nncn3n2 271570a_100010177797_100000185652 [0,0,0,0,0,0|4,0,0]=4 95 B17R3.1941 C1=C(OCCC1)c2ccc3nnnn3c2 271570a_100010177797_100009817084 [0,0,0,0,0,0|4,0,0]=4 96 B17R3.1941 C1=C(OCCC1)c2ccc3oncc3c2 271570a_100010177797_100009817723 [0,0,0,0,0,0|4,0,0]=4 97 B17R3.1941 C1=C(OCCC1)c2cn3cnnc3cn2 271570a_100010177797_100015552654 [0,0,0,0,0,0|4,0,0]=4 98 B17R3.1941 C1=C(OCCC1)c2cnc3nncn3c2 271570a_100010177797_100009814486 [0,0,0,0,0,0|4,0,0]=4 99 B17R3.1941 C1=Cc2cc(ccc2C1)C3=CCCCC3 271570a_100000062251_100009814306 [0,0,0,0,0,0|3,0,1]=4 100 B17R3.1941 C1=Cc2ccc(cc2C1)C3=CCCCC3 271570a_100000062251_200009818231 [0,0,0,0,0,0|3,0,1]=4 101 B17R3.1941 c1cc(ccn1)c2ccc3cncn3c2 271570a_100000752145_100009887162 [0,0,0,0,0,0|2,0,2]=4 102 B17R3.1941 c1ccc(cc1)c2ccc3cncn3c2 271570a_100011218836_100009887162 [0,0,0,0,0,0|1,0,3]=4 103 B17R3.1941 c1ccc(nc1)c2ccc3cncn3c2 271570a_100011264011_100009887162 [0,0,0,0,0,0|2,0,2]=4 104 B17R3.1941 c1cnc(cn1)c2ccc3cncn3c2 271570a_100011962566_100009887162 [0,0,0,0,0,0|3,0,1]=4 105 B17R3.1941 c1cncc(c1)c2ccc3cncn3c2 271570a_100000757648_100009887162 [0,0,0,0,0,0|0,0,4]=4 106 B17R3.1941 c1ncc(cn1)c2ccc3cncn3c2 271570a_100000707473_100009887162 [0,0,0,0,0,0|1,0,3]=4 107 B18R3.151 Cc1cn2cc(ccc2n1)C3=CCCCC3 271570a_100000062251_100000194050 [0,1,0,0,0,0|3,0,0]=4 108 B18R3.171 Cc1cc2[nH]ncc2cc1C3=CCCCC3 271570a_100000062251_100009816927 [0,1,0,0,0,0|3,0,0]=4 109 B18R3.171 Cc1cc2cn[nH]c2cc1C3=CCCCC3 271570a_100000062251_100009816928 [0,1,0,0,0,0|3,0,0]=4 110 B18R3.171 Cc1cc2nccn2cc1C3=CCCCC3 271570a_100000062251_100020606757 [0,1,0,0,0,0|3,0,0]=4 111 B18R3.171 Clc1cc2[nH]ncc2cc1C3=CCCCC3 271570a_100000062251_100102525311 [0,1,0,0,0,0|3,0,0]=4 112 B18R3.171 Fc1cc2[nH]ncc2cc1C3=CCCCC3 271570a_100000062251_100010143413 [0,1,0,0,0,0|3,0,0]=4 113 B18R3.171 Fc1cc2cn[nH]c2cc1C3=CCCCC3 271570a_100000062251_100010131892 [0,1,0,0,0,0|3,0,0]=4 114 B18R3.171 Nc1cc2cn[nH]c2cc1C3=CCCCC3 271570a_100000062251_100011012411 [0,1,0,0,0,0|3,0,0]=4 115 B18R3.171 Oc1cc2[nH]ncc2cc1C3=CCCCC3 271570a_100000062251_100010079831 [0,1,0,0,0,0|3,0,0]=4 116 B18R3.171 Oc1cc2cn[nH]c2cc1C3=CCCCC3 271570a_100000062251_100010080172 [0,1,0,0,0,0|3,0,0]=4 117 B18R3.2972 CC1CC=C(CC1)c2ccc3[nH]ncc3c2 271570a_100010240233_100000049815 [0,1,0,0,0,0|3,0,0]=4 118 B18R3.2972 CC1CC=C(CC1)c2ccc3ccnn3c2 271570a_100010240233_100009820231 [0,1,0,0,0,0|3,0,0]=4 119 B18R3.2972 CC1CC=C(CC1)c2ccc3cn[nH]c3c2 271570a_100010240233_100000049514 [0,1,0,0,0,0|3,0,0]=4 120 B18R3.2972 CC1CC=C(CC1)c2ccc3cncn3c2 271570a_100010240233_100009887162 [0,1,0,0,0,0|1,0,0]=2 121 B18R3.2972 CC1CC=C(CC1)c2ccc3cnoc3c2 271570a_100010240233_100009817722 [0,1,0,0,0,0|3,0,0]=4 122 B18R3.2972 CC1CC=C(CC1)c2ccc3cscc3c2 271570a_100010240233_200010760811 [0,1,0,0,0,0|3,0,0]=4 123 B18R3.2972 CC1CC=C(CC1)c2ccc3nccn3c2 271570a_100010240233_100000746083 [0,1,0,0,0,0|3,0,0]=4 124 B18R3.2972 CC1CC=C(CC1)c2ccc3nncn3c2 271570a_100010240233_100000764363 [0,1,0,0,0,0|2,0,0]=3 125 B18R3.2972 CC1CC=C(CC1)c2ccc3nncn3n2 271570a_100010240233_100000185652 [0,1,0,0,0,0|3,0,0]=4 126 B18R3.2972 CC1CC=C(CC1)c2ccc3nnnn3c2 271570a_100010240233_100009817084 [0,1,0,0,0,0|3,0,0]=4 127 B18R3.2972 CC1CC=C(CC1)c2ccc3oncc3c2 271570a_100010240233_100009817723 [0,1,0,0,0,0|3,0,0]=4 128 B18R3.2972 CC1CC=C(CC1)c2cn3cnnc3cn2 271570a_100010240233_100015552654 [0,1,0,0,0,0|3,0,0]=4 129 B18R3.2972 CC1CC=C(CC1)c2cnc3nncn3c2 271570a_100010240233_100009814486 [0,1,0,0,0,0|3,0,0]=4 130 B18R3.2972 O=c1ncc(c[nH]1)c2ccc3cncn3c2 271570a_100000079150_100009887162 [0,1,0,0,0,0|1,0,2]=4 131 B18R3.2972 OC1CC=C(CC1)c2ccc3[nH]ncc3c2 271570a_100010254553_100000049815 [0,1,0,0,0,0|3,0,0]=4 132 B18R3.2972 OC1CC=C(CC1)c2ccc3ccnn3c2 271570a_100010254553_100009820231 [0,1,0,0,0,0|3,0,0]=4 133 B18R3.2972 OC1CC=C(CC1)c2ccc3cn[nH]c3c2 271570a_100010254553_100000049514 [0,1,0,0,0,0|3,0,0]=4 134 B18R3.2972 OC1CC=C(CC1)c2ccc3cncn3c2 271570a_100010254553_100009887162 [0,1,0,0,0,0|1,0,0]=2 135 B18R3.2972 OC1CC=C(CC1)c2ccc3cnoc3c2 271570a_100010254553_100009817722 [0,1,0,0,0,0|3,0,0]=4 136 B18R3.2972 OC1CC=C(CC1)c2ccc3cscc3c2 271570a_100010254553_200010760811 [0,1,0,0,0,0|3,0,0]=4 137 B18R3.2972 OC1CC=C(CC1)c2ccc3nccn3c2 271570a_100010254553_100000746083 [0,1,0,0,0,0|3,0,0]=4 138 B18R3.2972 OC1CC=C(CC1)c2ccc3nncn3c2 271570a_100010254553_100000764363 [0,1,0,0,0,0|2,0,0]=3 139 B18R3.2972 OC1CC=C(CC1)c2ccc3nncn3n2 271570a_100010254553_100000185652 [0,1,0,0,0,0|3,0,0]=4 140 B18R3.2972 OC1CC=C(CC1)c2ccc3nnnn3c2 271570a_100010254553_100009817084 [0,1,0,0,0,0|3,0,0]=4 141 B18R3.2972 OC1CC=C(CC1)c2ccc3oncc3c2 271570a_100010254553_100009817723 [0,1,0,0,0,0|3,0,0]=4 142 B18R3.2972 OC1CC=C(CC1)c2cn3cnnc3cn2 271570a_100010254553_100015552654 [0,1,0,0,0,0|3,0,0]=4 143 B18R3.2972 OC1CC=C(CC1)c2cnc3nncn3c2 271570a_100010254553_100009814486 [0,1,0,0,0,0|3,0,0]=4 144 B18R3.3026 O=C1C=C(CCC1)c2ccc3cncn3c2 271570a_100000723966_100009887162 [0,1,0,0,0,0|1,0,1]=3 145 B18R3.3026 O=C1C=C(CCC1)c2ccc3nncn3c2 271570a_100000723966_100000764363 [0,1,0,0,0,0|2,0,1]=4 146 B18R3.3958 O=c1[nH]cccc1c2ccc3cncn3c2 271570a_100000099769_100009887162 [0,1,0,0,0,0|0,0,3]=4 147 B18R3.4180 Cc1n[nH]c2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100009816850 [0,1,0,0,0,0|3,0,0]=4 148 B18R3.4180 Cc1ncc2n1ccc(c2)C3=CCCCC3 271570a_100000062251_100000730832 [0,1,0,0,0,0|3,0,0]=4 149 B18R3.4180 Cc1noc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100009815287 [0,1,0,0,0,0|3,0,0]=4 150 B18R3.4180 Cn1ncc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100009817176 [0,1,0,0,0,0|3,0,0]=4 151 B18R3.4180 Nc1n[nH]c2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100011934401 [0,1,0,0,0,0|3,0,0]=4 152 B18R3.4180 Nc1noc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100012356334 [0,1,0,0,0,0|3,0,0]=4 153 B18R3.4180 O=C1C=Cc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100010210589 [0,1,0,0,0,0|3,0,0]=4 154 B18R3.4180 Oc1noc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100000727085 [0,1,0,0,0,0|3,0,0]=4 155 B18R3.4323 Cc1c(ccc2c1cn[nH]2)C3=CCCCC3 271570a_100000062251_100009817094 [0,1,0,0,0,0|3,0,0]=4 156 B18R3.4323 Cc1c(ccc2n1ccn2)C3=CCCCC3 271570a_100000062251_100012569086 [0,1,0,0,0,0|3,0,0]=4 157 B18R3.4323 Cc1c(ccc2n1cnn2)C3=CCCCC3 271570a_100000062251_200010371128 [0,1,0,0,0,0|2,0,0]=3 158 B18R3.4323 Cc1c(ccc2n1cnn2)C3=CCCCO3 271570a_100010177797_200010371128 [0,1,0,0,0,0|3,0,0]=4 159 B18R3.4323 Cc1c(ccc2n1cnn2)C3=CCNCC3 271570a_100000731432_200010371128 [0,1,0,0,0,0|3,0,0]=4 160 B18R3.4323 Cc1c(ccc2n1cnn2)C3=CCOCC3 271570a_100000070234_200010371128 [0,1,0,0,0,0|3,0,0]=4 161 B18R3.4323 Cc1c(ccc2n1cnn2)C3=CCSCC3 271570a_100010232141_200010371128 [0,1,0,0,0,0|3,0,0]=4 162 B18R3.4323 Cc1c(ccc2n1cnn2)C3=COCCC3 271570a_100010175576_200010371128 [0,1,0,0,0,0|3,0,0]=4 163 B18R3.4323 Cc1c(ccc2n1ncc2)C3=CCCCC3 271570a_100000062251_100010767214 [0,1,0,0,0,0|3,0,0]=4 164 B18R3.4323 Fc1c(ccc2c1[nH]nc2)C3=CCCCC3 271570a_100000062251_100102525427 [0,1,0,0,0,0|3,0,0]=4 165 B18R3.4323 Fc1c(ccc2c1cn[nH]2)C3=CCCCC3 271570a_100000062251_100010232219 [0,1,0,0,0,0|3,0,0]=4 166 B18R3.4323 Nc1c(ccc2c1cn[nH]2)C3=CCCCC3 271570a_100000062251_100020965837 [0,1,0,0,0,0|3,0,0]=4 167 B18R3.6550 Brc1cc(cc2c1cn[nH]2)C3=CCCCC3 271570a_100000062251_100009814768 [0,1,0,0,0,0|3,0,0]=4 168 B18R3.6550 Cc1cc(cc2c1[nH]nc2)C3=CCCCC3 271570a_100000062251_100009812868 [0,1,0,0,0,0|3,0,0]=4 169 B18R3.6550 Cc1cc(cc2c1cn[nH]2)C3=CCCCC3 271570a_100000062251_100009816875 [0,1,0,0,0,0|3,0,0]=4 170 B18R3.6550 Cc1cc(cn2c1ncc2)C3=CCCCC3 271570a_100000062251_100000701042 [0,1,0,0,0,0|3,0,0]=4 171 B18R3.6550 Cc1cc(cn2c1nnc2)C3=CCCCC3 271570a_100000062251_100010183136 [0,1,0,0,0,0|2,0,0]=3 172 B18R3.6550 Cc1cc(cn2c1nnc2)C3=CCCCO3 271570a_100010177797_100010183136 [0,1,0,0,0,0|3,0,0]=4 173 B18R3.6550 Cc1cc(cn2c1nnc2)C3=CCNCC3 271570a_100000731432_100010183136 [0,1,0,0,0,0|3,0,0]=4 174 B18R3.6550 Cc1cc(cn2c1nnc2)C3=CCOCC3 271570a_100000070234_100010183136 [0,1,0,0,0,0|3,0,0]=4 175 B18R3.6550 Cc1cc(cn2c1nnc2)C3=CCSCC3 271570a_100010232141_100010183136 [0,1,0,0,0,0|3,0,0]=4 176 B18R3.6550 Cc1cc(cn2c1nnc2)C3=COCCC3 271570a_100010175576_100010183136 [0,1,0,0,0,0|3,0,0]=4 177 B18R3.6550 Clc1cc(cc2c1[nH]nc2)C3=CCCCC3 271570a_100000062251_200010212562 [0,1,0,0,0,0|3,0,0]=4 178 B18R3.6550 Clc1cc(cc2c1cn[nH]2)C3=CCCCC3 271570a_100000062251_100000050090 [0,1,0,0,0,0|3,0,0]=4 179 B18R3.6550 Fc1cc(cc2c1[nH]nc2)C3=CCCCC3 271570a_100000062251_100010143415 [0,1,0,0,0,0|3,0,0]=4 180 B18R3.6550 Fc1cc(cc2c1cn[nH]2)C3=CCCCC3 271570a_100000062251_100010185991 [0,1,0,0,0,0|3,0,0]=4 181 B18R3.6550 Fc1cc(cn2c1ncc2)C3=CCCCC3 271570a_100000062251_100010174814 [0,1,0,0,0,0|3,0,0]=4 182 B18R3.6550 Nc1cc(cc2c1[nH]nc2)C3=CCCCC3 271570a_100000062251_100010171008 [0,1,0,0,0,0|3,0,0]=4 183 B18R3.6550 Nc1cc(cc2c1cn[nH]2)C3=CCCCC3 271570a_100000062251_100010177796 [0,1,0,0,0,0|3,0,0]=4 184 B18R3.6550 Nc1cc(cn2c1ncc2)C3=CCCCC3 271570a_100000062251_100009816852 [0,1,0,0,0,0|3,0,0]=4 185 B18R3.6550 Oc1cc(cc2c1cn[nH]2)C3=CCCCC3 271570a_100000062251_100010185960 [0,1,0,0,0,0|3,0,0]=4 186 B18R3.6550 Oc1cc(cn2c1ncc2)C3=CCCCC3 271570a_100000062251_100010074634 [0,1,0,0,0,0|3,0,0]=4 187 B18R3.53542 Brc1cnc2n1cc(cc2)C3=CCCCC3 271570a_100000062251_100010184845 [0,1,0,0,0,0|3,0,0]=4 188 B18R3.53542 Brc1n[nH]c2c1cc(cc2)C3=CCCCC3 271570a_100000062251_200012353728 [0,1,0,0,0,0|3,0,0]=4 189 B18R3.53542 Cc1cnc2n1cc(cc2)C3=CCCCC3 271570a_100000062251_100012353388 [0,1,0,0,0,0|3,0,0]=4 190 B18R3.53542 Cc1n[nH]c2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100102524909 [0,1,0,0,0,0|3,0,0]=4 191 B18R3.53542 Cc1nnc2n1cc(cc2)C3=CCCCC3 271570a_100000062251_100000764415 [0,1,0,0,0,0|2,0,0]=3 192 B18R3.53542 Cc1nnc2n1cc(cc2)C3=CCCCO3 271570a_100010177797_100000764415 [0,1,0,0,0,0|3,0,0]=4 193 B18R3.53542 Cc1nnc2n1cc(cc2)C3=CCNCC3 271570a_100000731432_100000764415 [0,1,0,0,0,0|3,0,0]=4 194 B18R3.53542 Cc1nnc2n1cc(cc2)C3=CCOCC3 271570a_100000070234_100000764415 [0,1,0,0,0,0|3,0,0]=4 195 B18R3.53542 Cc1nnc2n1cc(cc2)C3=CCSCC3 271570a_100010232141_100000764415 [0,1,0,0,0,0|3,0,0]=4 196 B18R3.53542 Cc1nnc2n1cc(cc2)C3=COCCC3 271570a_100010175576_100000764415 [0,1,0,0,0,0|3,0,0]=4 197 B18R3.53542 Cc1nnc2n1nc(cc2)C3=CCCCC3 271570a_100000062251_100000239878 [0,1,0,0,0,0|3,0,0]=4 198 B18R3.53542 Cc1noc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100010196875 [0,1,0,0,0,0|3,0,0]=4 199 B18R3.53542 Cn1ncc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100009817177 [0,1,0,0,0,0|3,0,0]=4 200 B18R3.53542 Fc1cnc2n1cc(cc2)C3=CCCCC3 271570a_100000062251_100025711191 [0,1,0,0,0,0|3,0,0]=4 201 B18R3.53542 Nc1n[nH]c2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100011934329 [0,1,0,0,0,0|3,0,0]=4 202 B18R3.53542 Nc1noc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100012356444 [0,1,0,0,0,0|3,0,0]=4 203 B18R3.53542 Nc1nsc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100010244976 [0,1,0,0,0,0|3,0,0]=4 204 B18R3.53542 O=c1[nH]nc2n1cc(cc2)C3=CCCCC3 271570a_100000062251_100010235869 [0,1,0,0,0,0|2,0,1]=4 205 B16R2.7 C=C=Cc1ccc(cc1)C2=CCCCC2 271570a_100015277604_100009811967 [0,0,1,0,0,0|3,0,0]=4 206 B16R2.3136 C=CCCCSc1ccc2cncn2c1 62a_100011713584_100009887162 [0,0,1,0,0,0|2,0,1]=4 207 B16R2.3136 CCCCC=Cc1ccc2[nH]ncc2c1 271570a_100016275911_100000049815 [0,0,1,0,0,0|3,0,0]=4 208 B16R2.3136 CCCCC=Cc1ccc2ccnn2c1 271570a_100016275911_100009820231 [0,0,1,0,0,0|3,0,0]=4 209 B16R2.3136 CCCCC=Cc1ccc2cn[nH]c2c1 271570a_100016275911_100000049514 [0,0,1,0,0,0|3,0,0]=4 210 B16R2.3136 CCCCC=Cc1ccc2cncn2c1 271570a_100016275911_100009887162 [0,0,1,0,0,0|1,0,0]=2 211 B16R2.3136 CCCCC=Cc1ccc2cnoc2c1 271570a_100016275911_100009817722 [0,0,1,0,0,0|3,0,0]=4 212 B16R2.3136 CCCCC=Cc1ccc2cscc2c1 271570a_100016275911_200010760811 [0,0,1,0,0,0|3,0,0]=4 213 B16R2.3136 CCCCC=Cc1ccc2nccn2c1 271570a_100016275911_100000746083 [0,0,1,0,0,0|3,0,0]=4 214 B16R2.3136 CCCCC=Cc1ccc2nncn2c1 271570a_100016275911_100000764363 [0,0,1,0,0,0|2,0,0]=3 215 B16R2.3136 CCCCC=Cc1ccc2nncn2n1 271570a_100016275911_100000185652 [0,0,1,0,0,0|3,0,0]=4 216 B16R2.3136 CCCCC=Cc1ccc2nnnn2c1 271570a_100016275911_100009817084 [0,0,1,0,0,0|3,0,0]=4 217 B16R2.3136 CCCCC=Cc1ccc2oncc2c1 271570a_100016275911_100009817723 [0,0,1,0,0,0|3,0,0]=4 218 B16R2.3136 CCCCC=Cc1cn2cnnc2cn1 271570a_100016275911_100015552654 [0,0,1,0,0,0|3,0,0]=4 219 B16R2.3136 CCCCC=Cc1cnc2nncn2c1 271570a_100016275911_100009814486 [0,0,1,0,0,0|3,0,0]=4 220 B16R2.3136 CCCCCSc1ccc2cncn2c1 62a_100000210326_100009887162 [0,0,1,0,0,0|2,0,1]=4 221 B16R2.3136 COCCCSc1ccc2cncn2c1 62a_100000709357_100009887162 [0,0,1,0,0,0|2,0,1]=4 222 B16R2.3136 FCCCCSc1ccc2cncn2c1 62a_100000729493_100009887162 [0,0,1,0,0,0|3,0,0]=4 223 B16R2.3136 OCCCCSc1ccc2cncn2c1 62a_100000210776_100009887162 [0,0,1,0,0,0|3,0,0]=4 224 B16R3.1779 C1=C(CCC1)c2cc3[nH]ncc3cn2 271570a_100000089523_100009872621 [0,0,0,0,1,0|3,0,0]=4 225 B16R3.1779 C1=C(CCC1)c2cc3cn[nH]c3cn2 271570a_100000089523_100009820118 [0,0,0,0,1,0|3,0,0]=4 226 B16R3.1779 C1=C(CCC1)c2ccc3[nH]ccc3c2 271570a_100000089523_100000211741 [0,0,0,0,1,0|3,0,0]=4 227 B16R3.1779 C1=C(CCC1)c2ccc3[nH]ncc3c2 271570a_100000089523_100000049815 [0,0,0,0,1,0|2,0,0]=3 228 B16R3.1779 C1=C(CCC1)c2ccc3[nH]ncc3n2 271570a_100000089523_100000082131 [0,0,0,0,1,0|3,0,0]=4 229 B16R3.1779 C1=C(CCC1)c2ccc3cc[nH]c3c2 271570a_100000089523_100000743809 [0,0,0,0,1,0|3,0,0]=4 230 B16R3.1779 C1=C(CCC1)c2ccc3ccnn3c2 271570a_100000089523_100009820231 [0,0,0,0,1,0|2,0,0]=3 231 B16R3.1779 C1=C(CCC1)c2ccc3ccoc3c2 271570a_100000089523_100000759542 [0,0,0,0,1,0|3,0,0]=4 232 B16R3.1779 C1=C(CCC1)c2ccc3ccsc3c2 271570a_100000089523_100009888917 [0,0,0,0,1,0|3,0,0]=4 233 B16R3.1779 C1=C(CCC1)c2ccc3cn[nH]c3c2 271570a_100000089523_100000049514 [0,0,0,0,1,0|2,0,0]=3 234 B16R3.1779 C1=C(CCC1)c2ccc3cn[nH]c3n2 271570a_100000089523_100009883947 [0,0,0,0,1,0|3,0,0]=4 235 B16R3.1779 C1=C(CCC1)c2ccc3cncn3c2 271570a_100000089523_100009887162 [0,0,0,0,1,0|0,0,0]=1 236 B16R3.1779 C1=C(CCC1)c2ccc3cnoc3c2 271570a_100000089523_100009817722 [0,0,0,0,1,0|2,0,0]=3 237 B16R3.1779 C1=C(CCC1)c2ccc3cscc3c2 271570a_100000089523_200010760811 [0,0,0,0,1,0|2,0,0]=3 238 B16R3.1779 C1=C(CCC1)c2ccc3csnc3c2 271570a_100000089523_100010170880 [0,0,0,0,1,0|3,0,0]=4 239 B16R3.1779 C1=C(CCC1)c2ccc3nccn3c2 271570a_100000089523_100000746083 [0,0,0,0,1,0|2,0,0]=3 240 B16R3.1779 C1=C(CCC1)c2ccc3nccn3n2 271570a_100000089523_100009883166 [0,0,0,0,1,0|3,0,0]=4 241 B16R3.1779 C1=C(CCC1)c2ccc3ncnn3c2 271570a_100000089523_100009816971 [0,0,0,0,1,0|3,0,0]=4 242 B16R3.1779 C1=C(CCC1)c2ccc3nn[nH]c3c2 271570a_100000089523_100009817464 [0,0,0,0,1,0|3,0,0]=4 243 B16R3.1779 C1=C(CCC1)c2ccc3nncn3c2 271570a_100000089523_100000764363 [0,0,0,0,1,0|1,0,0]=2 244 B16R3.1779 C1=C(CCC1)c2ccc3nncn3n2 271570a_100000089523_100000185652 [0,0,0,0,1,0|2,0,0]=3 245 B16R3.1779 C1=C(CCC1)c2ccc3nnnn3c2 271570a_100000089523_100009817084 [0,0,0,0,1,0|2,0,0]=3 246 B16R3.1779 C1=C(CCC1)c2ccc3occc3c2 271570a_100000089523_100012343831 [0,0,0,0,1,0|3,0,0]=4 247 B16R3.1779 C1=C(CCC1)c2ccc3oncc3c2 271570a_100000089523_100009817723 [0,0,0,0,1,0|2,0,0]=3 248 B16R3.1779 C1=C(CCC1)c2ccc3sccc3c2 271570a_100000089523_100009814439 [0,0,0,0,1,0|3,0,0]=4 249 B16R3.1779 C1=C(CCC1)c2ccn3cnnc3c2 271570a_100000089523_100009819662 [0,0,0,0,1,0|3,0,0]=4 250 B16R3.1779 C1=C(CCC1)c2ccn3nncc3c2 271570a_100000089523_100009820036 [0,0,0,0,1,0|3,0,0]=4 251 B16R3.1779 C1=C(CCC1)c2cn3ccnc3cn2 271570a_100000089523_102495339940 [0,0,0,0,1,0|3,0,0]=4 252 B16R3.1779 C1=C(CCC1)c2cn3cnnc3cn2 271570a_100000089523_100015552654 [0,0,0,0,1,0|2,0,0]=3 253 B16R3.1779 C1=C(CCC1)c2cnc3[nH]ncc3c2 271570a_100000089523_100009814530 [0,0,0,0,1,0|3,0,0]=4 254 B16R3.1779 C1=C(CCC1)c2cnc3ccnn3c2 271570a_100000089523_100011349234 [0,0,0,0,1,0|3,0,0]=4 255 B16R3.1779 C1=C(CCC1)c2cnc3cn[nH]c3c2 271570a_100000089523_100009844038 [0,0,0,0,1,0|3,0,0]=4 256 B16R3.1779 C1=C(CCC1)c2cnc3nccn3c2 271570a_100000089523_100000764708 [0,0,0,0,1,0|3,0,0]=4 257 B16R3.1779 C1=C(CCC1)c2cnc3nncn3c2 271570a_100000089523_100009814486 [0,0,0,0,1,0|2,0,0]=3 258 B16R3.1779 C1=C(CCO1)c2ccc3[nH]ncc3c2 271570a_100000118173_100000049815 [0,0,0,0,1,0|3,0,0]=4 259 B16R3.1779 C1=C(CCO1)c2ccc3ccnn3c2 271570a_100000118173_100009820231 [0,0,0,0,1,0|3,0,0]=4 260 B16R3.1779 C1=C(CCO1)c2ccc3cn[nH]c3c2 271570a_100000118173_100000049514 [0,0,0,0,1,0|3,0,0]=4 261 B16R3.1779 C1=C(CCO1)c2ccc3cncn3c2 271570a_100000118173_100009887162 [0,0,0,0,1,0|1,0,0]=2 262 B16R3.1779 C1=C(CCO1)c2ccc3cnoc3c2 271570a_100000118173_100009817722 [0,0,0,0,1,0|3,0,0]=4 263 B16R3.1779 C1=C(CCO1)c2ccc3cscc3c2 271570a_100000118173_200010760811 [0,0,0,0,1,0|3,0,0]=4 264 B16R3.1779 C1=C(CCO1)c2ccc3nccn3c2 271570a_100000118173_100000746083 [0,0,0,0,1,0|3,0,0]=4 265 B16R3.1779 C1=C(CCO1)c2ccc3nncn3c2 271570a_100000118173_100000764363 [0,0,0,0,1,0|2,0,0]=3 266 B16R3.1779 C1=C(CCO1)c2ccc3nncn3n2 271570a_100000118173_100000185652 [0,0,0,0,1,0|3,0,0]=4 267 B16R3.1779 C1=C(CCO1)c2ccc3nnnn3c2 271570a_100000118173_100009817084 [0,0,0,0,1,0|3,0,0]=4 268 B16R3.1779 C1=C(CCO1)c2ccc3oncc3c2 271570a_100000118173_100009817723 [0,0,0,0,1,0|3,0,0]=4 269 B16R3.1779 C1=C(CCO1)c2cn3cnnc3cn2 271570a_100000118173_100015552654 [0,0,0,0,1,0|3,0,0]=4 270 B16R3.1779 C1=C(CCO1)c2cnc3nncn3c2 271570a_100000118173_100009814486 [0,0,0,0,1,0|3,0,0]=4 271 B16R3.1779 C1=C(COC1)c2ccc3[nH]ncc3c2 271570a_100009872500_100000049815 [0,0,0,0,1,0|3,0,0]=4 272 B16R3.1779 C1=C(COC1)c2ccc3ccnn3c2 271570a_100009872500_100009820231 [0,0,0,0,1,0|3,0,0]=4 273 B16R3.1779 C1=C(COC1)c2ccc3cn[nH]c3c2 271570a_100009872500_100000049514 [0,0,0,0,1,0|3,0,0]=4 274 B16R3.1779 C1=C(COC1)c2ccc3cncn3c2 271570a_100009872500_100009887162 [0,0,0,0,1,0|1,0,0]=2 275 B16R3.1779 C1=C(COC1)c2ccc3cnoc3c2 271570a_100009872500_100009817722 [0,0,0,0,1,0|3,0,0]=4 276 B16R3.1779 C1=C(COC1)c2ccc3cscc3c2 271570a_100009872500_200010760811 [0,0,0,0,1,0|3,0,0]=4 277 B16R3.1779 C1=C(COC1)c2ccc3nccn3c2 271570a_100009872500_100000746083 [0,0,0,0,1,0|3,0,0]=4 278 B16R3.1779 C1=C(COC1)c2ccc3nncn3c2 271570a_100009872500_100000764363 [0,0,0,0,1,0|2,0,0]=3 279 B16R3.1779 C1=C(COC1)c2ccc3nncn3n2 271570a_100009872500_100000185652 [0,0,0,0,1,0|3,0,0]=4 280 B16R3.1779 C1=C(COC1)c2ccc3nnnn3c2 271570a_100009872500_100009817084 [0,0,0,0,1,0|3,0,0]=4 281 B16R3.1779 C1=C(COC1)c2ccc3oncc3c2 271570a_100009872500_100009817723 [0,0,0,0,1,0|3,0,0]=4 282 B16R3.1779 C1=C(COC1)c2cn3cnnc3cn2 271570a_100009872500_100015552654 [0,0,0,0,1,0|3,0,0]=4 283 B16R3.1779 C1=C(COC1)c2cnc3nncn3c2 271570a_100009872500_100009814486 [0,0,0,0,1,0|3,0,0]=4 284 B16R3.1779 C1=Cc2cc(ccc2C1)C3=CCCC3 271570a_100000089523_100009814306 [0,0,0,0,1,0|2,0,1]=4 285 B16R3.1779 C1=Cc2ccc(cc2C1)C3=CCCC3 271570a_100000089523_200009818231 [0,0,0,0,1,0|2,0,1]=4 286 B16R3.1779 c1c[nH]c(n1)c2ccc3cncn3c2 271570a_100016988920_100009887162 [0,0,0,0,1,0|1,0,2]=4 287 B16R3.1779 c1cc(c[nH]1)c2ccc3cncn3c2 271570a_100000102155_100009887162 [0,0,0,0,1,0|0,0,2]=3 288 B16R3.1779 c1cc(c[nH]1)c2ccc3nncn3c2 271570a_100000102155_100000764363 [0,0,0,0,1,0|1,0,2]=4 289 B16R3.1779 c1cc(co1)c2ccc3cncn3c2 271570a_100011218838_100009887162 [0,0,0,0,1,0|1,0,2]=4 290 B16R3.1779 c1cc(cs1)c2ccc3cncn3c2 271570a_100011934443_100009887162 [0,0,0,0,1,0|1,0,2]=4 291 B16R3.1779 c1cc(n[nH]1)c2ccc3cncn3c2 271570a_100000062414_100009887162 [0,0,0,0,1,0|1,0,1]=3 292 B16R3.1779 c1cc(n[nH]1)c2ccc3nncn3c2 271570a_100000062414_100000764363 [0,0,0,0,1,0|2,0,1]=4 293 B16R3.1779 c1cc2cncn2cc1c3cn[nH]c3 271570a_100000041997_100009887162 [0,0,0,0,1,0|1,0,1]=3 294 B16R3.1779 c1cc2nncn2cc1c3cn[nH]c3 271570a_100000041997_100000764363 [0,0,0,0,1,0|2,0,1]=4 295 B16R3.1779 c1coc(c1)c2ccc3cncn3c2 271570a_100000750936_100009887162 [0,0,0,0,1,0|1,0,2]=4 296 B16R3.1779 c1csc(c1)c2ccc3cncn3c2 271570a_100000742291_100009887162 [0,0,0,0,1,0|1,0,2]=4 297 B16R3.1779 c1ncc(s1)c2ccc3cncn3c2 271570a_100010231675_100009887162 [0,0,0,0,1,0|2,0,1]=4 298 B18R3.2123 C1=C(CCCC1)c2ccc3ccccc3c2 271570a_100000062251_100000233703 [0,0,0,0,0,1|3,0,0]=4 299 B18R3.2123 C1=C(CCCC1)c2ccc3cccnc3c2 271570a_100000062251_100009816655 [0,0,0,0,0,1|3,0,0]=4 300 B18R3.2123 C1=C(CCCC1)c2ccc3ccncc3c2 271570a_100000062251_100000686496 [0,0,0,0,0,1|2,0,0]=3 301 B18R3.2123 C1=C(CCCC1)c2ccc3ccncc3n2 271570a_100000062251_100000020162 [0,0,0,0,0,1|3,0,0]=4 302 B18R3.2123 C1=C(CCCC1)c2ccc3cnccc3c2 271570a_100000062251_100009816743 [0,0,0,0,0,1|2,0,0]=3 303 B18R3.2123 C1=C(CCCC1)c2ccc3cncnc3c2 271570a_100000062251_100010185614 [0,0,0,0,0,1|2,0,0]=3 304 B18R3.2123 C1=C(CCCC1)c2ccc3cnncc3c2 271570a_100000062251_100010198781 [0,0,0,0,0,1|2,0,0]=3 305 B18R3.2123 C1=C(CCCC1)c2ccc3ncccc3c2 271570a_100000062251_100000754243 [0,0,0,0,0,1|3,0,0]=4 306 B18R3.2123 C1=C(CCCC1)c2ccc3ncncc3c2 271570a_100000062251_100009989443 [0,0,0,0,0,1|2,0,0]=3 307 B18R3.2123 C1=C(CCCC1)c2ccc3nnccc3c2 271570a_100000062251_100010209549 [0,0,0,0,0,1|3,0,0]=4 308 B18R3.2123 C1=C(CCCO1)c2ccc3ccncc3c2 271570a_100010175576_100000686496 [0,0,0,0,0,1|3,0,0]=4 309 B18R3.2123 C1=C(CCCO1)c2ccc3cnccc3c2 271570a_100010175576_100009816743 [0,0,0,0,0,1|3,0,0]=4 310 B18R3.2123 C1=C(CCCO1)c2ccc3cncnc3c2 271570a_100010175576_100010185614 [0,0,0,0,0,1|3,0,0]=4 311 B18R3.2123 C1=C(CCCO1)c2ccc3cnncc3c2 271570a_100010175576_100010198781 [0,0,0,0,0,1|3,0,0]=4 312 B18R3.2123 C1=C(CCCO1)c2ccc3ncncc3c2 271570a_100010175576_100009989443 [0,0,0,0,0,1|3,0,0]=4 313 B18R3.2123 C1=C(CCNC1)c2ccc3ccncc3c2 271570a_100000731432_100000686496 [0,0,0,0,0,1|3,0,0]=4 314 B18R3.2123 C1=C(CCNC1)c2ccc3cnccc3c2 271570a_100000731432_100009816743 [0,0,0,0,0,1|3,0,0]=4 315 B18R3.2123 C1=C(CCNC1)c2ccc3cncnc3c2 271570a_100000731432_100010185614 [0,0,0,0,0,1|3,0,0]=4 316 B18R3.2123 C1=C(CCNC1)c2ccc3cnncc3c2 271570a_100000731432_100010198781 [0,0,0,0,0,1|3,0,0]=4 317 B18R3.2123 C1=C(CCNC1)c2ccc3ncncc3c2 271570a_100000731432_100009989443 [0,0,0,0,0,1|3,0,0]=4 318 B18R3.2123 C1=C(CCOC1)c2ccc3ccncc3c2 271570a_100000070234_100000686496 [0,0,0,0,0,1|3,0,0]=4 319 B18R3.2123 C1=C(CCOC1)c2ccc3cnccc3c2 271570a_100000070234_100009816743 [0,0,0,0,0,1|3,0,0]=4 320 B18R3.2123 C1=C(CCOC1)c2ccc3cncnc3c2 271570a_100000070234_100010185614 [0,0,0,0,0,1|3,0,0]=4 321 B18R3.2123 C1=C(CCOC1)c2ccc3cnncc3c2 271570a_100000070234_100010198781 [0,0,0,0,0,1|3,0,0]=4 322 B18R3.2123 C1=C(CCOC1)c2ccc3ncncc3c2 271570a_100000070234_100009989443 [0,0,0,0,0,1|3,0,0]=4 323 B18R3.2123 C1=C(CCSC1)c2ccc3ccncc3c2 271570a_100010232141_100000686496 [0,0,0,0,0,1|3,0,0]=4 324 B18R3.2123 C1=C(CCSC1)c2ccc3cnccc3c2 271570a_100010232141_100009816743 [0,0,0,0,0,1|3,0,0]=4 325 B18R3.2123 C1=C(CCSC1)c2ccc3cncnc3c2 271570a_100010232141_100010185614 [0,0,0,0,0,1|3,0,0]=4 326 B18R3.2123 C1=C(CCSC1)c2ccc3cnncc3c2 271570a_100010232141_100010198781 [0,0,0,0,0,1|3,0,0]=4 327 B18R3.2123 C1=C(CCSC1)c2ccc3ncncc3c2 271570a_100010232141_100009989443 [0,0,0,0,0,1|3,0,0]=4 328 B18R3.2123 C1=C(OCCC1)c2ccc3ccncc3c2 271570a_100010177797_100000686496 [0,0,0,0,0,1|3,0,0]=4 329 B18R3.2123 C1=C(OCCC1)c2ccc3cnccc3c2 271570a_100010177797_100009816743 [0,0,0,0,0,1|3,0,0]=4 330 B18R3.2123 C1=C(OCCC1)c2ccc3cncnc3c2 271570a_100010177797_100010185614 [0,0,0,0,0,1|3,0,0]=4 331 B18R3.2123 C1=C(OCCC1)c2ccc3cnncc3c2 271570a_100010177797_100010198781 [0,0,0,0,0,1|3,0,0]=4 332 B18R3.2123 C1=C(OCCC1)c2ccc3ncncc3c2 271570a_100010177797_100009989443 [0,0,0,0,0,1|3,0,0]=4 333 B18R3.10316 C1=C(CCCCC1)c2ccc3[nH]ncc3c2 271570a_200009888920_100000049815 [0,0,0,0,0,1|3,0,0]=4 334 B18R3.10316 C1=C(CCCCC1)c2ccc3ccnn3c2 271570a_200009888920_100009820231 [0,0,0,0,0,1|3,0,0]=4 335 B18R3.10316 C1=C(CCCCC1)c2ccc3cn[nH]c3c2 271570a_200009888920_100000049514 [0,0,0,0,0,1|3,0,0]=4 336 B18R3.10316 C1=C(CCCCC1)c2ccc3cncn3c2 271570a_200009888920_100009887162 [0,0,0,0,0,1|1,0,0]=2 337 B18R3.10316 C1=C(CCCCC1)c2ccc3cnoc3c2 271570a_200009888920_100009817722 [0,0,0,0,0,1|3,0,0]=4 338 B18R3.10316 C1=C(CCCCC1)c2ccc3cscc3c2 271570a_200009888920_200010760811 [0,0,0,0,0,1|3,0,0]=4 339 B18R3.10316 C1=C(CCCCC1)c2ccc3nccn3c2 271570a_200009888920_100000746083 [0,0,0,0,0,1|3,0,0]=4 340 B18R3.10316 C1=C(CCCCC1)c2ccc3nncn3c2 271570a_200009888920_100000764363 [0,0,0,0,0,1|2,0,0]=3 341 B18R3.10316 C1=C(CCCCC1)c2ccc3nncn3n2 271570a_200009888920_100000185652 [0,0,0,0,0,1|3,0,0]=4 342 B18R3.10316 C1=C(CCCCC1)c2ccc3nnnn3c2 271570a_200009888920_100009817084 [0,0,0,0,0,1|3,0,0]=4 343 B18R3.10316 C1=C(CCCCC1)c2ccc3oncc3c2 271570a_200009888920_100009817723 [0,0,0,0,0,1|3,0,0]=4 344 B18R3.10316 C1=C(CCCCC1)c2cn3cnnc3cn2 271570a_200009888920_100015552654 [0,0,0,0,0,1|3,0,0]=4 345 B18R3.10316 C1=C(CCCCC1)c2cnc3nncn3c2 271570a_200009888920_100009814486 [0,0,0,0,0,1|3,0,0]=4 346 B18R3.12792 C1=CC(CCC1)Sc2ccc3cncn3c2 62a_100000751183_100009887162 [0,0,0,0,0,1|1,0,2]=4 347 B18R3.12792 c1cc2cncn2cc1SC3CCCCC3 62a_100000210327_100009887162 [0,0,0,0,0,1|1,0,2]=4 348 B15R2.1 C=Cc1ccc(cc1)C2=CCCCC2 271570a_100011290941_100009811967 [1,0,1,0,0,0|2,0,0]=4 349 B15R2.2123 C=CCCSc1ccc2cncn2c1 62a_100000754431_100009887162 [1,0,1,0,0,0|1,0,1]=4 350 B15R2.2123 CCCC=Cc1ccc2[nH]ncc2c1 271570a_100016258520_100000049815 [1,0,1,0,0,0|2,0,0]=4 351 B15R2.2123 CCCC=Cc1ccc2ccnn2c1 271570a_100016258520_100009820231 [1,0,1,0,0,0|2,0,0]=4 352 B15R2.2123 CCCC=Cc1ccc2cn[nH]c2c1 271570a_100016258520_100000049514 [1,0,1,0,0,0|2,0,0]=4 353 B15R2.2123 CCCC=Cc1ccc2cncn2c1 271570a_100016258520_100009887162 [1,0,1,0,0,0|0,0,0]=2 354 B15R2.2123 CCCC=Cc1ccc2cnoc2c1 271570a_100016258520_100009817722 [1,0,1,0,0,0|2,0,0]=4 355 B15R2.2123 CCCC=Cc1ccc2cscc2c1 271570a_100016258520_200010760811 [1,0,1,0,0,0|2,0,0]=4 356 B15R2.2123 CCCC=Cc1ccc2nccn2c1 271570a_100016258520_100000746083 [1,0,1,0,0,0|2,0,0]=4 357 B15R2.2123 CCCC=Cc1ccc2nncn2c1 271570a_100016258520_100000764363 [1,0,1,0,0,0|1,0,0]=3 358 B15R2.2123 CCCC=Cc1ccc2nncn2n1 271570a_100016258520_100000185652 [1,0,1,0,0,0|2,0,0]=4 359 B15R2.2123 CCCC=Cc1ccc2nnnn2c1 271570a_100016258520_100009817084 [1,0,1,0,0,0|2,0,0]=4 360 B15R2.2123 CCCC=Cc1ccc2oncc2c1 271570a_100016258520_100009817723 [1,0,1,0,0,0|2,0,0]=4 361 B15R2.2123 CCCC=Cc1cn2cnnc2cn1 271570a_100016258520_100015552654 [1,0,1,0,0,0|2,0,0]=4 362 B15R2.2123 CCCC=Cc1cnc2nncn2c1 271570a_100016258520_100009814486 [1,0,1,0,0,0|2,0,0]=4 363 B15R2.2123 CCCCSc1ccc2cncn2c1 62a_100000210211_100009887162 [1,0,1,0,0,0|1,0,1]=4 364 B15R2.2123 CCOC=Cc1ccc2cncn2c1 271570a_100016256518_100009887162 [1,0,1,0,0,0|1,0,0]=3 365 B15R2.2123 CCOC=Cc1ccc2nncn2c1 271570a_100016256518_100000764363 [1,0,1,0,0,0|2,0,0]=4 366 B15R2.2123 CCOCSc1ccc2cncn2c1 62a_100000739092_100009887162 [1,0,1,0,0,0|2,0,0]=4 367 B15R2.2123 COCC=Cc1ccc2cncn2c1 271570a_100016286323_100009887162 [1,0,1,0,0,0|1,0,0]=3 368 B15R2.2123 COCC=Cc1ccc2nncn2c1 271570a_100016286323_100000764363 [1,0,1,0,0,0|2,0,0]=4 369 B15R2.2123 COCCSc1ccc2cncn2c1 62a_100000233755_100009887162 [1,0,1,0,0,0|2,0,0]=4 370 B15R2.2123 CSCCSc1ccc2cncn2c1 62a_100000212216_100009887162 [1,0,1,0,0,0|2,0,0]=4 371 B15R2.2123 FCCCSc1ccc2cncn2c1 62a_100011934791_100009887162 [1,0,1,0,0,0|2,0,0]=4 372 B15R2.2123 OCCCSc1ccc2cncn2c1 62a_100011215043_100009887162 [1,0,1,0,0,0|2,0,0]=4 373 B17R2.3769 CCCCC=Cc1ccc2nncn2c1C 271570a_100016275911_200010371128 [0,1,1,0,0,0|2,0,0]=4 374 B17R2.8766 C=CCCCCSc1ccc2cncn2c1 62a_100011215482_100009887162 [0,1,1,0,0,0|2,0,0]=4 375 B17R2.8766 CCCCCC=Cc1ccc2cncn2c1 271570a_100000062253_100009887162 [0,1,1,0,0,0|1,0,0]=3 376 B17R2.8766 CCCCCC=Cc1ccc2nncn2c1 271570a_100000062253_100000764363 [0,1,1,0,0,0|2,0,0]=4 377 B17R2.8766 O=CCCCCSc1ccc2cncn2c1 62a_100000139335_100009887162 [0,1,1,0,0,0|2,0,0]=4 378 B17R2.10085 CCCCC(=Cc1ccc2cncn2c1)Br 271570a_206741709834_100009887162 [0,1,1,0,0,0|1,0,0]=3 379 B17R2.10085 CCCCC(=Cc1ccc2nncn2c1)Br 271570a_206741709834_100000764363 [0,1,1,0,0,0|2,0,0]=4 380 B17R2.19066 CCCCC=Cc1cc(c2nncn2c1)C 271570a_100016275911_100010183136 [0,1,1,0,0,0|2,0,0]=4 381 B17R2.44830 CC(=O)OCC=Cc1ccc2cncn2c1 271570a_200000047263_100009887162 [0,1,1,0,0,0|2,0,0]=4 382 B17R2.59247 CCCCC=Cc1ccc2nnc(n2c1)C 271570a_100016275911_100000764415 [0,1,1,0,0,0|2,0,0]=4 383 B17R3.97 Cc1cn2cc(ccc2n1)C3=CCCC3 271570a_100000089523_100000194050 [0,1,0,0,1,0|2,0,0]=4 384 B17R3.2399 Cc1cc(n[nH]1)c2ccc3cncn3c2 271570a_100009872134_100009887162 [0,1,0,0,1,0|1,0,1]=4 385 B17R3.2399 Cn1cc(cn1)c2ccc3cncn3c2 271570a_100000685319_100009887162 [0,1,0,0,1,0|1,0,1]=4 386 B17R3.2399 Cn1ccc(c1)c2ccc3cncn3c2 271570a_100010172022_100009887162 [0,1,0,0,1,0|0,0,2]=4 387 B17R3.2399 Cn1ccc(n1)c2ccc3cncn3c2 271570a_100012348833_100009887162 [0,1,0,0,1,0|1,0,1]=4 388 B17R3.2399 O=C1C=C(CC1)c2ccc3cncn3c2 271570a_100010737933_100009887162 [0,1,0,0,1,0|0,0,1]=3 389 B17R3.2399 O=C1C=C(CC1)c2ccc3nncn3c2 271570a_100010737933_100000764363 [0,1,0,0,1,0|1,0,1]=4 390 B17R3.2856 Cc1cc2[nH]ncc2cc1C3=CCCC3 271570a_100000089523_100009816927 [0,1,0,0,1,0|2,0,0]=4 391 B17R3.2856 Cc1cc2cn[nH]c2cc1C3=CCCC3 271570a_100000089523_100009816928 [0,1,0,0,1,0|2,0,0]=4 392 B17R3.2856 Cc1cc2nccn2cc1C3=CCCC3 271570a_100000089523_100020606757 [0,1,0,0,1,0|2,0,0]=4 393 B17R3.2856 Clc1cc2[nH]ncc2cc1C3=CCCC3 271570a_100000089523_100102525311 [0,1,0,0,1,0|2,0,0]=4 394 B17R3.2856 Fc1cc2[nH]ncc2cc1C3=CCCC3 271570a_100000089523_100010143413 [0,1,0,0,1,0|2,0,0]=4 395 B17R3.2856 Fc1cc2cn[nH]c2cc1C3=CCCC3 271570a_100000089523_100010131892 [0,1,0,0,1,0|2,0,0]=4 396 B17R3.2856 Nc1cc2cn[nH]c2cc1C3=CCCC3 271570a_100000089523_100011012411 [0,1,0,0,1,0|2,0,0]=4 397 B17R3.2856 Oc1cc2[nH]ncc2cc1C3=CCCC3 271570a_100000089523_100010079831 [0,1,0,0,1,0|2,0,0]=4 398 B17R3.2856 Oc1cc2cn[nH]c2cc1C3=CCCC3 271570a_100000089523_100010080172 [0,1,0,0,1,0|2,0,0]=4 399 B17R3.2958 Cc1c[nH]nc1c2ccc3cncn3c2 271570a_100102527747_100009887162 [0,1,0,0,1,0|1,0,1]=4 400 B17R3.2958 Cc1n[nH]cc1c2ccc3cncn3c2 271570a_100000069033_100009887162 [0,1,0,0,1,0|1,0,1]=4 401 B17R3.2958 Cn1cccc1c2ccc3cncn3c2 271570a_100000068268_100009887162 [0,1,0,0,1,0|0,0,2]=4 402 B17R3.2958 Cn1cncc1c2ccc3cncn3c2 271570a_100009892668_100009887162 [0,1,0,0,1,0|1,0,1]=4 403 B17R3.2958 Cn1nccc1c2ccc3cncn3c2 271570a_100000707534_100009887162 [0,1,0,0,1,0|1,0,1]=4 404 B17R3.3250 Cc1n[nH]c2c1ccc(c2)C3=CCCC3 271570a_100000089523_100009816850 [0,1,0,0,1,0|2,0,0]=4 405 B17R3.3250 Cc1ncc2n1ccc(c2)C3=CCCC3 271570a_100000089523_100000730832 [0,1,0,0,1,0|2,0,0]=4 406 B17R3.3250 Cc1noc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100009815287 [0,1,0,0,1,0|2,0,0]=4 407 B17R3.3250 Cn1ncc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100009817176 [0,1,0,0,1,0|2,0,0]=4 408 B17R3.3250 Nc1n[nH]c2c1ccc(c2)C3=CCCC3 271570a_100000089523_100011934401 [0,1,0,0,1,0|2,0,0]=4 409 B17R3.3250 Nc1noc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100012356334 [0,1,0,0,1,0|2,0,0]=4 410 B17R3.3250 O=C1C=Cc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100010210589 [0,1,0,0,1,0|2,0,0]=4 411 B17R3.3250 Oc1noc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100000727085 [0,1,0,0,1,0|2,0,0]=4 412 B17R3.4919 Brc1cc(cc2c1cn[nH]2)C3=CCCC3 271570a_100000089523_100009814768 [0,1,0,0,1,0|2,0,0]=4 413 B17R3.4919 Cc1cc(cc2c1[nH]nc2)C3=CCCC3 271570a_100000089523_100009812868 [0,1,0,0,1,0|2,0,0]=4 414 B17R3.4919 Cc1cc(cc2c1cn[nH]2)C3=CCCC3 271570a_100000089523_100009816875 [0,1,0,0,1,0|2,0,0]=4 415 B17R3.4919 Cc1cc(cn2c1ncc2)C3=CCCC3 271570a_100000089523_100000701042 [0,1,0,0,1,0|2,0,0]=4 416 B17R3.4919 Cc1cc(cn2c1nnc2)C3=CCCC3 271570a_100000089523_100010183136 [0,1,0,0,1,0|1,0,0]=3 417 B17R3.4919 Cc1cc(cn2c1nnc2)C3=CCOC3 271570a_100009872500_100010183136 [0,1,0,0,1,0|2,0,0]=4 418 B17R3.4919 Cc1cc(cn2c1nnc2)C3=COCC3 271570a_100000118173_100010183136 [0,1,0,0,1,0|2,0,0]=4 419 B17R3.4919 Clc1cc(cc2c1[nH]nc2)C3=CCCC3 271570a_100000089523_200010212562 [0,1,0,0,1,0|2,0,0]=4 420 B17R3.4919 Clc1cc(cc2c1cn[nH]2)C3=CCCC3 271570a_100000089523_100000050090 [0,1,0,0,1,0|2,0,0]=4 421 B17R3.4919 Fc1cc(cc2c1[nH]nc2)C3=CCCC3 271570a_100000089523_100010143415 [0,1,0,0,1,0|2,0,0]=4 422 B17R3.4919 Fc1cc(cc2c1cn[nH]2)C3=CCCC3 271570a_100000089523_100010185991 [0,1,0,0,1,0|2,0,0]=4 423 B17R3.4919 Fc1cc(cn2c1ncc2)C3=CCCC3 271570a_100000089523_100010174814 [0,1,0,0,1,0|2,0,0]=4 424 B17R3.4919 Nc1cc(cc2c1[nH]nc2)C3=CCCC3 271570a_100000089523_100010171008 [0,1,0,0,1,0|2,0,0]=4 425 B17R3.4919 Nc1cc(cc2c1cn[nH]2)C3=CCCC3 271570a_100000089523_100010177796 [0,1,0,0,1,0|2,0,0]=4 426 B17R3.4919 Nc1cc(cn2c1ncc2)C3=CCCC3 271570a_100000089523_100009816852 [0,1,0,0,1,0|2,0,0]=4 427 B17R3.4919 Oc1cc(cc2c1cn[nH]2)C3=CCCC3 271570a_100000089523_100010185960 [0,1,0,0,1,0|2,0,0]=4 428 B17R3.4919 Oc1cc(cn2c1ncc2)C3=CCCC3 271570a_100000089523_100010074634 [0,1,0,0,1,0|2,0,0]=4 429 B17R3.31515 Brc1cnc2n1cc(cc2)C3=CCCC3 271570a_100000089523_100010184845 [0,1,0,0,1,0|2,0,0]=4 430 B17R3.31515 Brc1n[nH]c2c1cc(cc2)C3=CCCC3 271570a_100000089523_200012353728 [0,1,0,0,1,0|2,0,0]=4 431 B17R3.31515 Cc1cnc2n1cc(cc2)C3=CCCC3 271570a_100000089523_100012353388 [0,1,0,0,1,0|2,0,0]=4 432 B17R3.31515 Cc1n[nH]c2c1cc(cc2)C3=CCCC3 271570a_100000089523_100102524909 [0,1,0,0,1,0|2,0,0]=4 433 B17R3.31515 Cc1nnc2n1cc(cc2)C3=CCCC3 271570a_100000089523_100000764415 [0,1,0,0,1,0|1,0,0]=3 434 B17R3.31515 Cc1nnc2n1cc(cc2)C3=CCOC3 271570a_100009872500_100000764415 [0,1,0,0,1,0|2,0,0]=4 435 B17R3.31515 Cc1nnc2n1cc(cc2)C3=COCC3 271570a_100000118173_100000764415 [0,1,0,0,1,0|2,0,0]=4 436 B17R3.31515 Cc1nnc2n1nc(cc2)C3=CCCC3 271570a_100000089523_100000239878 [0,1,0,0,1,0|2,0,0]=4 437 B17R3.31515 Cc1noc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100010196875 [0,1,0,0,1,0|2,0,0]=4 438 B17R3.31515 Cn1ncc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100009817177 [0,1,0,0,1,0|2,0,0]=4 439 B17R3.31515 Fc1cnc2n1cc(cc2)C3=CCCC3 271570a_100000089523_100025711191 [0,1,0,0,1,0|2,0,0]=4 440 B17R3.31515 Nc1n[nH]c2c1cc(cc2)C3=CCCC3 271570a_100000089523_100011934329 [0,1,0,0,1,0|2,0,0]=4 441 B17R3.31515 Nc1noc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100012356444 [0,1,0,0,1,0|2,0,0]=4 442 B17R3.31515 Nc1nsc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100010244976 [0,1,0,0,1,0|2,0,0]=4 443 B17R3.31515 O=c1[nH]nc2n1cc(cc2)C3=CCCC3 271570a_100000089523_100010235869 [0,1,0,0,1,0|1,0,1]=4 444 B17R3.32975 Cc1c(ccc2c1cn[nH]2)C3=CCCC3 271570a_100000089523_100009817094 [0,1,0,0,1,0|2,0,0]=4 445 B17R3.32975 Cc1c(ccc2n1ccn2)C3=CCCC3 271570a_100000089523_100012569086 [0,1,0,0,1,0|2,0,0]=4 446 B17R3.32975 Cc1c(ccc2n1cnn2)C3=CCCC3 271570a_100000089523_200010371128 [0,1,0,0,1,0|1,0,0]=3 447 B17R3.32975 Cc1c(ccc2n1cnn2)C3=CCOC3 271570a_100009872500_200010371128 [0,1,0,0,1,0|2,0,0]=4 448 B17R3.32975 Cc1c(ccc2n1cnn2)C3=COCC3 271570a_100000118173_200010371128 [0,1,0,0,1,0|2,0,0]=4 449 B17R3.32975 Cc1c(ccc2n1ncc2)C3=CCCC3 271570a_100000089523_100010767214 [0,1,0,0,1,0|2,0,0]=4 450 B17R3.32975 Fc1c(ccc2c1[nH]nc2)C3=CCCC3 271570a_100000089523_100102525427 [0,1,0,0,1,0|2,0,0]=4 451 B17R3.32975 Fc1c(ccc2c1cn[nH]2)C3=CCCC3 271570a_100000089523_100010232219 [0,1,0,0,1,0|2,0,0]=4 452 B17R3.32975 Nc1c(ccc2c1cn[nH]2)C3=CCCC3 271570a_100000089523_100020965837 [0,1,0,0,1,0|2,0,0]=4 453 B19R3.291 Fc1cc2ccncc2cc1C3=CCCCC3 271570a_100000062251_100010244713 [0,1,0,0,0,1|2,0,0]=4 454 B19R3.291 Fc1cc2cnccc2cc1C3=CCCCC3 271570a_100000062251_100011105921 [0,1,0,0,0,1|2,0,0]=4 455 B19R3.3862 CC1CC=C(CC1)c2ccc3ccncc3c2 271570a_100010240233_100000686496 [0,1,0,0,0,1|2,0,0]=4 456 B19R3.3862 CC1CC=C(CC1)c2ccc3cnccc3c2 271570a_100010240233_100009816743 [0,1,0,0,0,1|2,0,0]=4 457 B19R3.3862 CC1CC=C(CC1)c2ccc3cncnc3c2 271570a_100010240233_100010185614 [0,1,0,0,0,1|2,0,0]=4 458 B19R3.3862 CC1CC=C(CC1)c2ccc3cnncc3c2 271570a_100010240233_100010198781 [0,1,0,0,0,1|2,0,0]=4 459 B19R3.3862 CC1CC=C(CC1)c2ccc3ncncc3c2 271570a_100010240233_100009989443 [0,1,0,0,0,1|2,0,0]=4 460 B19R3.3862 OC1CC=C(CC1)c2ccc3ccncc3c2 271570a_100010254553_100000686496 [0,1,0,0,0,1|2,0,0]=4 461 B19R3.3862 OC1CC=C(CC1)c2ccc3cnccc3c2 271570a_100010254553_100009816743 [0,1,0,0,0,1|2,0,0]=4 462 B19R3.3862 OC1CC=C(CC1)c2ccc3cncnc3c2 271570a_100010254553_100010185614 [0,1,0,0,0,1|2,0,0]=4 463 B19R3.3862 OC1CC=C(CC1)c2ccc3cnncc3c2 271570a_100010254553_100010198781 [0,1,0,0,0,1|2,0,0]=4 464 B19R3.3862 OC1CC=C(CC1)c2ccc3ncncc3c2 271570a_100010254553_100009989443 [0,1,0,0,0,1|2,0,0]=4 465 B19R3.4010 Cc1ncc2ccc(cc2n1)C3=CCCCC3 271570a_100000062251_100010233817 [0,1,0,0,0,1|2,0,0]=4 466 B19R3.4010 Fc1cc2cc(ccc2cn1)C3=CCCCC3 271570a_100000062251_100010291885 [0,1,0,0,0,1|2,0,0]=4 467 B19R3.4010 Nc1cc2cc(ccc2cn1)C3=CCCCC3 271570a_100000062251_100009817123 [0,1,0,0,0,1|2,0,0]=4 468 B19R3.4010 Nc1ncc2ccc(cc2n1)C3=CCCCC3 271570a_100000062251_100010199760 [0,1,0,0,0,1|2,0,0]=4 469 B19R3.4010 Oc1cc2cc(ccc2cn1)C3=CCCCC3 271570a_100000062251_100009817130 [0,1,0,0,0,1|2,0,0]=4 470 B19R3.6048 Nc1c(ccc2c1ccnc2)C3=CCCCC3 271570a_100000062251_100010191621 [0,1,0,0,0,1|2,0,0]=4 471 B19R3.8275 Nc1nccc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100000732483 [0,1,0,0,0,1|2,0,0]=4 472 B19R3.8275 Nc1ncnc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100010199758 [0,1,0,0,0,1|2,0,0]=4 473 B19R3.8275 Oc1nccc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100000760485 [0,1,0,0,0,1|2,0,0]=4 474 B19R3.8275 Oc1nncc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100000724280 [0,1,0,0,0,1|2,0,0]=4 475 B19R3.9171 Fc1cc(cc2c1cncc2)C3=CCCCC3 271570a_100000062251_100011068762 [0,1,0,0,0,1|2,0,0]=4 476 B19R3.55010 Nc1cc2ccc(cc2cn1)C3=CCCCC3 271570a_100000062251_100010232990 [0,1,0,0,0,1|2,0,0]=4 477 B19R3.55010 Nc1ncc2cc(ccc2n1)C3=CCCCC3 271570a_100000062251_100010138702 [0,1,0,0,0,1|2,0,0]=4 478 B19R3.152686 Cc1nccc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_200010739692 [0,1,0,0,0,1|2,0,0]=4 479 B19R3.152686 Cc1ncnc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100000700471 [0,1,0,0,0,1|2,0,0]=4 480 B19R3.152686 Clc1ncnc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100000757566 [0,1,0,0,0,1|2,0,0]=4 481 B19R3.152686 Nc1nccc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100012352255 [0,1,0,0,0,1|2,0,0]=4 482 B19R3.152686 Nc1ncnc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100011390335 [0,1,0,0,0,1|2,0,0]=4 483 B19R3.152686 O=c1[nH]ncc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100015864262 [0,1,0,0,0,1|2,0,0]=4 484 B19R3.152686 O=c1ccnc2n1cc(cc2)C3=CCCCC3 271570a_100000062251_100010178973 [0,1,0,0,0,1|2,0,0]=4 485 B19R3.152686 Oc1cncc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100010136424 [0,1,0,0,0,1|2,0,0]=4 486 B19R3.152686 Oc1nccc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100000010956 [0,1,0,0,0,1|2,0,0]=4 487 B19R3.461683 Cc1cc(cn2c1nnc2)C3=CCCCCC3 271570a_200009888920_100010183136 [0,1,0,0,0,1|2,0,0]=4 488 B19R3.2508503 Cc1c(ccc2n1cnn2)C3=CCCCCC3 271570a_200009888920_200010371128 [0,1,0,0,0,1|2,0,0]=4 489 B19R3.7779911 Cc1nnc2n1cc(cc2)C3=CCCCCC3 271570a_200009888920_100000764415 [0,1,0,0,0,1|2,0,0]=4 490 B19R3.9162 O=C1CCCCC1Sc2ccc3cncn3c2 62a_100000204591_100009887162 [0,1,0,0,0,1|1,0,1]=4 491 B19R3.9162 O=C1CCOCC1Sc2ccc3cncn3c2 62a_100012180262_100009887162 [0,1,0,0,0,1|1,0,1]=4 492 B19R3.145 CCC1CC=C(CC1)c2ccc3cncn3c2 271570a_200010144120_100009887162 [0,2,0,0,0,0|1,0,0]=3 493 B19R3.145 CCC1CC=C(CC1)c2ccc3nncn3c2 271570a_200010144120_100000764363 [0,2,0,0,0,0|2,0,0]=4 494 B19R3.145 COC1CC=C(CC1)c2ccc3cncn3c2 271570a_100010144119_100009887162 [0,2,0,0,0,0|1,0,0]=3 495 B19R3.145 COC1CC=C(CC1)c2ccc3nncn3c2 271570a_100010144119_100000764363 [0,2,0,0,0,0|2,0,0]=4 496 B19R3.145 N#CC1CC=C(CC1)c2ccc3cncn3c2 271570a_100010254552_100009887162 [0,2,0,0,0,0|1,0,0]=3 497 B19R3.145 N#CC1CC=C(CC1)c2ccc3nncn3c2 271570a_100010254552_100000764363 [0,2,0,0,0,0|2,0,0]=4 498 B19R3.12741 Cc1cc(cn2c1nnc2)C3=CCC(CC3)C 271570a_100010240233_100010183136 [0,2,0,0,0,0|2,0,0]=4 499 B19R3.12741 Cc1cc(cn2c1nnc2)C3=CCC(CC3)O 271570a_100010254553_100010183136 [0,2,0,0,0,0|2,0,0]=4 500 B19R3.52152 Cc1c(ccc2n1cnn2)C3=CCC(CC3)C 271570a_100010240233_200010371128 [0,2,0,0,0,0|2,0,0]=4 501 B19R3.52152 Cc1c(ccc2n1cnn2)C3=CCC(CC3)O 271570a_100010254553_200010371128 [0,2,0,0,0,0|2,0,0]=4 502 B19R3.52153 Cc1nnc2n1cc(cc2)C3=CCC(CC3)C 271570a_100010240233_100000764415 [0,2,0,0,0,0|2,0,0]=4 503 B19R3.52153 Cc1nnc2n1cc(cc2)C3=CCC(CC3)O 271570a_100010254553_100000764415 [0,2,0,0,0,0|2,0,0]=4 504 B19R3.2285135 CC1(CC=C(CC1)c2ccc3cncn3c2)C 271570a_100000069032_100009887162 [0,2,0,0,0,0|1,0,0]=3 505 B19R3.2285135 CC1(CC=C(CC1)c2ccc3nncn3c2)C 271570a_100000069032_100000764363 [0,2,0,0,0,0|2,0,0]=4 506 B19R3.2285135 FC1(CC=C(CC1)c2ccc3cncn3c2)F 271570a_100010243660_100009887162 [0,2,0,0,0,0|1,0,0]=3 507 B19R3.2285135 FC1(CC=C(CC1)c2ccc3nncn3c2)F 271570a_100010243660_100000764363 [0,2,0,0,0,0|2,0,0]=4 508 B19R3.308512 CCc1nnc2n1cc(cc2)C3=CCCCC3 271570a_100000062251_200009892593 [0,2,0,0,0,0|2,0,0]=4 509 B19R3.308512 CSc1nnc2n1cc(cc2)C3=CCCCC3 271570a_100000062251_200009817042 [0,2,0,0,0,0|2,0,0]=4 510 B17R3.8707 C1=C(CCCC1)c2cccn3c2cnc3 271570a_100000062251_100009857155 [0,0,1,1,0,0|1,0,0]=3 511 B17R3.8707 C1=C(CCCC1)c2cccn3c2nnc3 271570a_100000062251_100000764285 [0,0,1,1,0,0|2,0,0]=4 512 B17R3.8707 C1=C(CCCC1)c2nccn3c2cnc3 271570a_100000062251_100009989554 [0,0,1,1,0,0|2,0,0]=4 513 B17R3.8707 C1=C(CCCO1)c2cccn3c2cnc3 271570a_100010175576_100009857155 [0,0,1,1,0,0|2,0,0]=4 514 B17R3.8707 C1=C(CCNC1)c2cccn3c2cnc3 271570a_100000731432_100009857155 [0,0,1,1,0,0|2,0,0]=4 515 B17R3.8707 C1=C(CCOC1)c2cccn3c2cnc3 271570a_100000070234_100009857155 [0,0,1,1,0,0|2,0,0]=4 516 B17R3.8707 C1=C(CCSC1)c2cccn3c2cnc3 271570a_100010232141_100009857155 [0,0,1,1,0,0|2,0,0]=4 517 B17R3.8707 C1=C(OCCC1)c2cccn3c2cnc3 271570a_100010177797_100009857155 [0,0,1,1,0,0|2,0,0]=4 518 B17R3.8 C1=C(CCCC1)c2c[nH]c3c2cccn3 271570a_100000062251_100011934613 [0,0,1,1,0,0|1,0,0]=3 519 B17R3.8 C1=C(CCCC1)c2c[nH]c3c2cncn3 271570a_100000062251_100009817560 [0,0,1,1,0,0|2,0,0]=4 520 B17R3.8 C1=C(CCCC1)c2csc3c2cccn3 271570a_100000062251_100009830249 [0,0,1,1,0,0|2,0,0]=4 521 B17R3.8 C1=C(CCCC1)c2n[nH]c3c2cccn3 271570a_100000062251_100009888962 [0,0,1,1,0,0|2,0,0]=4 522 B17R3.8 C1=C(CCCO1)c2c[nH]c3c2cccn3 271570a_100010175576_100011934613 [0,0,1,1,0,0|2,0,0]=4 523 B17R3.8 C1=C(CCNC1)c2c[nH]c3c2cccn3 271570a_100000731432_100011934613 [0,0,1,1,0,0|2,0,0]=4 524 B17R3.8 C1=C(CCOC1)c2c[nH]c3c2cccn3 271570a_100000070234_100011934613 [0,0,1,1,0,0|2,0,0]=4 525 B17R3.8 C1=C(CCSC1)c2c[nH]c3c2cccn3 271570a_100010232141_100011934613 [0,0,1,1,0,0|2,0,0]=4 526 B17R3.8 C1=C(OCCC1)c2c[nH]c3c2cccn3 271570a_100010177797_100011934613 [0,0,1,1,0,0|2,0,0]=4 527 B17R3.21035 C(=C1CCCC1)c2ccc3cncn3c2 271570a_100010378317_100009887162 [0,0,1,1,0,0|1,0,0]=3 528 B17R3.21035 C(=C1CCCC1)c2ccc3nncn3c2 271570a_100010378317_100000764363 [0,0,1,1,0,0|2,0,0]=4 529 B15R2.7 C=C=Cc1ccc(cc1)C2=CCCC2 271570a_100015277604_200010223205 [0,0,1,0,1,0|2,0,0]=4 530 B15R2.68 C=C=Cc1cccc(c1)C2=CCCC2 271570a_100015277604_200010203063 [0,0,1,0,1,0|2,0,0]=4 531 B17R2.5879 CCCCC=Cc1ccc2ccncc2c1 271570a_100016275911_100000686496 [0,0,1,0,0,1|2,0,0]=4 532 B17R2.5879 CCCCC=Cc1ccc2cnccc2c1 271570a_100016275911_100009816743 [0,0,1,0,0,1|2,0,0]=4 533 B17R2.5879 CCCCC=Cc1ccc2cncnc2c1 271570a_100016275911_100010185614 [0,0,1,0,0,1|2,0,0]=4 534 B17R2.5879 CCCCC=Cc1ccc2cnncc2c1 271570a_100016275911_100010198781 [0,0,1,0,0,1|2,0,0]=4 535 B17R2.5879 CCCCC=Cc1ccc2ncncc2c1 271570a_100016275911_100009989443 [0,0,1,0,0,1|2,0,0]=4 536 B17R3.1917 C1=C(CCC1)c2ccc3ccccc3c2 271570a_100000089523_100000233703 [0,0,0,0,1,1|2,0,0]=4 537 B17R3.1917 C1=C(CCC1)c2ccc3cccnc3c2 271570a_100000089523_100009816655 [0,0,0,0,1,1|2,0,0]=4 538 B17R3.1917 C1=C(CCC1)c2ccc3ccncc3c2 271570a_100000089523_100000686496 [0,0,0,0,1,1|1,0,0]=3 539 B17R3.1917 C1=C(CCC1)c2ccc3ccncc3n2 271570a_100000089523_100000020162 [0,0,0,0,1,1|2,0,0]=4 540 B17R3.1917 C1=C(CCC1)c2ccc3cnccc3c2 271570a_100000089523_100009816743 [0,0,0,0,1,1|1,0,0]=3 541 B17R3.1917 C1=C(CCC1)c2ccc3cncnc3c2 271570a_100000089523_100010185614 [0,0,0,0,1,1|1,0,0]=3 542 B17R3.1917 C1=C(CCC1)c2ccc3cnncc3c2 271570a_100000089523_100010198781 [0,0,0,0,1,1|1,0,0]=3 543 B17R3.1917 C1=C(CCC1)c2ccc3ncccc3c2 271570a_100000089523_100000754243 [0,0,0,0,1,1|2,0,0]=4 544 B17R3.1917 C1=C(CCC1)c2ccc3ncncc3c2 271570a_100000089523_100009989443 [0,0,0,0,1,1|1,0,0]=3 545 B17R3.1917 C1=C(CCC1)c2ccc3nnccc3c2 271570a_100000089523_100010209549 [0,0,0,0,1,1|2,0,0]=4 546 B17R3.1917 C1=C(CCO1)c2ccc3ccncc3c2 271570a_100000118173_100000686496 [0,0,0,0,1,1|2,0,0]=4 547 B17R3.1917 C1=C(CCO1)c2ccc3cnccc3c2 271570a_100000118173_100009816743 [0,0,0,0,1,1|2,0,0]=4 548 B17R3.1917 C1=C(CCO1)c2ccc3cncnc3c2 271570a_100000118173_100010185614 [0,0,0,0,1,1|2,0,0]=4 549 B17R3.1917 C1=C(CCO1)c2ccc3cnncc3c2 271570a_100000118173_100010198781 [0,0,0,0,1,1|2,0,0]=4 550 B17R3.1917 C1=C(CCO1)c2ccc3ncncc3c2 271570a_100000118173_100009989443 [0,0,0,0,1,1|2,0,0]=4 551 B17R3.1917 C1=C(COC1)c2ccc3ccncc3c2 271570a_100009872500_100000686496 [0,0,0,0,1,1|2,0,0]=4 552 B17R3.1917 C1=C(COC1)c2ccc3cnccc3c2 271570a_100009872500_100009816743 [0,0,0,0,1,1|2,0,0]=4 553 B17R3.1917 C1=C(COC1)c2ccc3cncnc3c2 271570a_100009872500_100010185614 [0,0,0,0,1,1|2,0,0]=4 554 B17R3.1917 C1=C(COC1)c2ccc3cnncc3c2 271570a_100009872500_100010198781 [0,0,0,0,1,1|2,0,0]=4 555 B17R3.1917 C1=C(COC1)c2ccc3ncncc3c2 271570a_100009872500_100009989443 [0,0,0,0,1,1|2,0,0]=4 556 B19R3.324605 C1=C(CCCCC1)c2ccc3ccncc3c2 271570a_200009888920_100000686496 [0,0,0,0,0,2|2,0,0]=4 557 B19R3.324605 C1=C(CCCCC1)c2ccc3cnccc3c2 271570a_200009888920_100009816743 [0,0,0,0,0,2|2,0,0]=4 558 B19R3.324605 C1=C(CCCCC1)c2ccc3cncnc3c2 271570a_200009888920_100010185614 [0,0,0,0,0,2|2,0,0]=4 559 B19R3.324605 C1=C(CCCCC1)c2ccc3cnncc3c2 271570a_200009888920_100010198781 [0,0,0,0,0,2|2,0,0]=4 560 B19R3.324605 C1=C(CCCCC1)c2ccc3ncncc3c2 271570a_200009888920_100009989443 [0,0,0,0,0,2|2,0,0]=4 561 B19R3.19268 C(=Cc1ccc2cncn2c1)C3=CCCCC3 271570a_100000069214_100009887162 [0,0,0,0,0,2|1,0,0]=3 562 B19R3.19268 C(=Cc1ccc2nncn2c1)C3=CCCCC3 271570a_100000069214_100000764363 [0,0,0,0,0,2|2,0,0]=4