0 B17R3.8707 C1=C(CCCC1)c2ccnc3c2nc[nH]3 271570a_100000062251_100009820729 [0,0,0,0,0,0|3,0,1]=4 1 B17R3.8707 C1=C(CCCC1)c2nccc3c2nc[nH]3 271570a_100000062251_100009820035 [0,0,0,0,0,0|3,0,1]=4 2 B17R3.8707 C1=C(CCCC1)c2ncnc3c2ncs3 271570a_100000062251_100009860286 [0,0,0,0,0,0|3,0,1]=4 3 B17R3.8707 C1=C(CCNC1)c2ccnc3c2nc[nH]3 271570a_100000731432_100009820729 [0,0,0,0,0,0|3,0,1]=4 4 B17R3.8707 C1=C(CCNC1)c2nccc3c2nc[nH]3 271570a_100000731432_100009820035 [0,0,0,0,0,0|3,0,1]=4 5 B17R3.8707 C1=C(CCNC1)c2ncnc3c2ncs3 271570a_100000731432_100009860286 [0,0,0,0,0,0|3,0,1]=4 6 B17R3.8707 C1=C(CCOC1)c2cccc3c2nc[nH]3 271570a_100000070234_100011935113 [0,0,0,0,0,0|3,0,1]=4 7 B17R3.8707 C1=C(CCOC1)c2ccnc3c2cc[nH]3 271570a_100000070234_100000049914 [0,0,0,0,0,0|3,0,1]=4 8 B17R3.8707 C1=C(CCOC1)c2ccnc3c2nc[nH]3 271570a_100000070234_100009820729 [0,0,0,0,0,0|2,0,1]=3 9 B17R3.8707 C1=C(CCOC1)c2ccnc3c2nn[nH]3 271570a_100000070234_100009853804 [0,0,0,0,0,0|3,0,1]=4 10 B17R3.8707 C1=C(CCOC1)c2nccc3c2cc[nH]3 271570a_100000070234_100000086534 [0,0,0,0,0,0|3,0,1]=4 11 B17R3.8707 C1=C(CCOC1)c2nccc3c2nc[nH]3 271570a_100000070234_100009820035 [0,0,0,0,0,0|2,0,1]=3 12 B17R3.8707 C1=C(CCOC1)c2ncnc3c2CCN3 271570a_100000070234_200000104052 [0,0,0,0,0,0|2,0,2]=4 13 B17R3.8707 C1=C(CCOC1)c2ncnc3c2[nH]cc3 271570a_100000070234_100000084117 [0,0,0,0,0,0|2,0,2]=4 14 B17R3.8707 C1=C(CCOC1)c2ncnc3c2cco3 271570a_100000070234_100000094286 [0,0,0,0,0,0|3,0,1]=4 15 B17R3.8707 C1=C(CCOC1)c2ncnc3c2ccs3 271570a_100000070234_100000183654 [0,0,0,0,0,0|3,0,1]=4 16 B17R3.8707 C1=C(CCOC1)c2ncnc3c2cn[nH]3 271570a_100000070234_100000735611 [0,0,0,0,0,0|3,0,1]=4 17 B17R3.8707 C1=C(CCOC1)c2ncnc3c2ncs3 271570a_100000070234_100009860286 [0,0,0,0,0,0|2,0,1]=3 18 B17R3.8707 C1=C(CCOC1)c2ncnc3c2scc3 271570a_100000070234_100000234879 [0,0,0,0,0,0|3,0,1]=4 19 B17R3.8707 C1=C(CCSC1)c2ccnc3c2nc[nH]3 271570a_100010232141_100009820729 [0,0,0,0,0,0|2,1,1]=4 20 B17R3.8707 C1=C(CCSC1)c2nccc3c2nc[nH]3 271570a_100010232141_100009820035 [0,0,0,0,0,0|2,1,1]=4 21 B17R3.8707 C1=C(CCSC1)c2ncnc3c2ncs3 271570a_100010232141_100009860286 [0,0,0,0,0,0|2,1,1]=4 22 B17R3.8707 C1=CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000698166_100009820729 [0,0,0,0,0,0|2,0,1]=3 23 B17R3.8707 C1=CCN(CC1)c2ccnc3c2nn[nH]3 27a_100000698166_100009853804 [0,0,0,0,0,0|3,0,1]=4 24 B17R3.8707 C1=CCN(CC1)c2ncnc3c2CCN3 27a_100000698166_200000104052 [0,0,0,0,0,0|2,0,2]=4 25 B17R3.8707 C1=CCN(CC1)c2ncnc3c2[nH]cc3 27a_100000698166_100000084117 [0,0,0,0,0,0|2,0,2]=4 26 B17R3.8707 C1=CCN(CC1)c2ncnc3c2[nH]cn3 27a_100000698166_100011215200 [0,0,0,0,0,0|1,0,3]=4 27 B17R3.8707 C1=CCN(CC1)c2ncnc3c2cco3 27a_100000698166_100000094286 [0,0,0,0,0,0|3,0,1]=4 28 B17R3.8707 C1=CCN(CC1)c2ncnc3c2ccs3 27a_100000698166_100000183654 [0,0,0,0,0,0|3,0,1]=4 29 B17R3.8707 C1=CCN(CC1)c2ncnc3c2cn[nH]3 27a_100000698166_100000735611 [0,0,0,0,0,0|3,0,1]=4 30 B17R3.8707 C1=CCN(CC1)c2ncnc3c2ncs3 27a_100000698166_100009860286 [0,0,0,0,0,0|2,0,1]=3 31 B17R3.8707 C1=CCN(CC1)c2ncnc3c2scc3 27a_100000698166_100000234879 [0,0,0,0,0,0|3,0,1]=4 32 B17R3.8707 c1cc(c2[nH]ncc2n1)N3CCOCC3 27a_100015191051_100000112858 [0,0,0,0,0,0|3,0,1]=4 33 B17R3.8707 c1cc(c2c(n1)CCC2)N3CCOCC3 27a_100015191051_100000102697 [0,0,0,0,0,0|3,0,1]=4 34 B17R3.8707 c1cc(c2ccsc2n1)N3CCOCC3 27a_100015191051_100009861243 [0,0,0,0,0,0|3,0,0]=3 35 B17R3.8707 c1cc(c2ccsc2n1)N3CCSCC3 27a_100000737611_100009861243 [0,0,0,0,0,0|3,1,0]=4 36 B17R3.8707 c1cc(c2nc[nH]c2n1)N3CCOCC3 27a_100015191051_100009820729 [0,0,0,0,0,0|1,0,0]=1 37 B17R3.8707 c1cc(c2nc[nH]c2n1)N3CCSCC3 27a_100000737611_100009820729 [0,0,0,0,0,0|1,1,0]=2 38 B17R3.8707 c1cc(c2ncnn2c1)N3CCOCC3 27a_100015191051_100009819722 [0,0,0,0,0,0|3,0,1]=4 39 B17R3.8707 c1cc(c2nn[nH]c2n1)N3CCOCC3 27a_100015191051_100009853804 [0,0,0,0,0,0|2,0,0]=2 40 B17R3.8707 c1cc(c2nn[nH]c2n1)N3CCSCC3 27a_100000737611_100009853804 [0,0,0,0,0,0|2,1,0]=3 41 B17R3.8707 c1cc(c2nonc2c1)N3CCOCC3 27a_100015191051_100009820244 [0,0,0,0,0,0|3,0,1]=4 42 B17R3.8707 c1cc(c2nsnc2c1)N3CCOCC3 27a_100015191051_100000742359 [0,0,0,0,0,0|3,0,1]=4 43 B17R3.8707 c1cc(c2sccc2n1)N3CCOCC3 27a_100015191051_100000764135 [0,0,0,0,0,0|3,0,0]=3 44 B17R3.8707 c1cc(c2sccc2n1)N3CCSCC3 27a_100000737611_100000764135 [0,0,0,0,0,0|3,1,0]=4 45 B17R3.8707 c1cc(n2nccc2n1)N3CCOCC3 27a_100015191051_100000080991 [0,0,0,0,0,0|3,0,0]=3 46 B17R3.8707 c1cc(n2nccc2n1)N3CCSCC3 27a_100000737611_100000080991 [0,0,0,0,0,0|3,1,0]=4 47 B17R3.8707 c1cc(n2ncnc2c1)N3CCOCC3 27a_100015191051_100009819724 [0,0,0,0,0,0|3,0,1]=4 48 B17R3.8707 c1cc-2c(nc[nH]c2n1)N3CCOCC3 27a_100015191051_100015350423 [0,0,0,0,0,0|1,0,2]=3 49 B17R3.8707 c1cc-2c(nc[nH]c2n1)N3CCSCC3 27a_100000737611_100015350423 [0,0,0,0,0,0|1,1,2]=4 50 B17R3.8707 c1cc2c(nccn2c1)N3CCOCC3 27a_100015191051_100000094558 [0,0,0,0,0,0|4,0,0]=4 51 B17R3.8707 c1cc2c(ncnn2c1)N3CCOCC3 27a_100015191051_100000104113 [0,0,0,0,0,0|3,0,0]=3 52 B17R3.8707 c1cc2c(ncnn2c1)N3CCSCC3 27a_100000737611_100000104113 [0,0,0,0,0,0|3,1,0]=4 53 B17R3.8707 c1cc2ccsc2c(n1)N3CCOCC3 27a_100015191051_100000117209 [0,0,0,0,0,0|3,0,0]=3 54 B17R3.8707 c1cc2ccsc2c(n1)N3CCSCC3 27a_100000737611_100000117209 [0,0,0,0,0,0|3,1,0]=4 55 B17R3.8707 c1cc2cn[nH]c2c(n1)N3CCOCC3 27a_100015191051_100009852419 [0,0,0,0,0,0|3,0,1]=4 56 B17R3.8707 c1cc2n[nH]cc2c(n1)N3CCOCC3 27a_100015191051_100020876377 [0,0,0,0,0,0|3,0,1]=4 57 B17R3.8707 c1cc2occc2c(n1)N3CCOCC3 27a_100015191051_100000041166 [0,0,0,0,0,0|3,0,0]=3 58 B17R3.8707 c1cc2occc2c(n1)N3CCSCC3 27a_100000737611_100000041166 [0,0,0,0,0,0|3,1,0]=4 59 B17R3.8707 c1cc2sccc2c(n1)N3CCOCC3 27a_100015191051_100000047778 [0,0,0,0,0,0|3,0,0]=3 60 B17R3.8707 c1cc2sccc2c(n1)N3CCSCC3 27a_100000737611_100000047778 [0,0,0,0,0,0|3,1,0]=4 61 B17R3.8707 c1cn2ccnc2c(n1)N3CCOCC3 27a_100015191051_102495338505 [0,0,0,0,0,0|3,0,0]=3 62 B17R3.8707 c1cn2ccnc2c(n1)N3CCSCC3 27a_100000737611_102495338505 [0,0,0,0,0,0|3,1,0]=4 63 B17R3.8707 c1cn2cnnc2c(n1)N3CCOCC3 27a_100015191051_100000757256 [0,0,0,0,0,0|4,0,0]=4 64 B17R3.8707 c1cn2nccc2c(n1)N3CCOCC3 27a_100015191051_100009846796 [0,0,0,0,0,0|3,0,1]=4 65 B17R3.8707 c1cn2ncnc2c(n1)N3CCOCC3 27a_100015191051_100000094309 [0,0,0,0,0,0|2,0,1]=3 66 B17R3.8707 c1cn2ncnc2c(n1)N3CCSCC3 27a_100000737611_100000094309 [0,0,0,0,0,0|2,1,1]=4 67 B17R3.8707 c1nc(c2[nH]ccc2n1)N3CCOCC3 27a_100015191051_100000084117 [0,0,0,0,0,0|1,0,1]=2 68 B17R3.8707 c1nc(c2[nH]ccc2n1)N3CCSCC3 27a_100000737611_100000084117 [0,0,0,0,0,0|1,1,1]=3 69 B17R3.8707 c1nc(c2[nH]cnc2n1)N3CCOCC3 27a_100015191051_100011215200 [0,0,0,0,0,0|0,0,2]=2 70 B17R3.8707 c1nc(c2[nH]cnc2n1)N3CCSCC3 27a_100000737611_100011215200 [0,0,0,0,0,0|0,1,2]=3 71 B17R3.8707 c1nc(c2ccoc2n1)N3CCOCC3 27a_100015191051_100000094286 [0,0,0,0,0,0|2,0,0]=2 72 B17R3.8707 c1nc(c2ccoc2n1)N3CCSCC3 27a_100000737611_100000094286 [0,0,0,0,0,0|2,1,0]=3 73 B17R3.8707 c1nc(c2ccsc2n1)N3CCOCC3 27a_100015191051_100000183654 [0,0,0,0,0,0|2,0,0]=2 74 B17R3.8707 c1nc(c2ccsc2n1)N3CCSCC3 27a_100000737611_100000183654 [0,0,0,0,0,0|2,1,0]=3 75 B17R3.8707 c1nc(c2cn[nH]c2n1)N3CCOCC3 27a_100015191051_100000735611 [0,0,0,0,0,0|2,0,0]=2 76 B17R3.8707 c1nc(c2cn[nH]c2n1)N3CCSCC3 27a_100000737611_100000735611 [0,0,0,0,0,0|2,1,0]=3 77 B17R3.8707 c1nc(c2ncsc2n1)N3CCOCC3 27a_100015191051_100009860286 [0,0,0,0,0,0|1,0,0]=1 78 B17R3.8707 c1nc(c2ncsc2n1)N3CCSCC3 27a_100000737611_100009860286 [0,0,0,0,0,0|1,1,0]=2 79 B17R3.8707 c1nc(c2sccc2n1)N3CCOCC3 27a_100015191051_100000234879 [0,0,0,0,0,0|2,0,0]=2 80 B17R3.8707 c1nc(c2sccc2n1)N3CCSCC3 27a_100000737611_100000234879 [0,0,0,0,0,0|2,1,0]=3 81 B17R3.8707 c1nc2c(c(n1)N3CCOCC3)CCC2 27a_100015191051_100000750143 [0,0,0,0,0,0|2,0,1]=3 82 B17R3.8707 c1nc2c(c(n1)N3CCOCC3)CCN2 27a_100015191051_200000104052 [0,0,0,0,0,0|1,0,1]=2 83 B17R3.8707 c1nc2c(c(n1)N3CCSCC3)CCC2 27a_100000737611_100000750143 [0,0,0,0,0,0|2,1,1]=4 84 B17R3.8707 c1nc2c(c(n1)N3CCSCC3)CCN2 27a_100000737611_200000104052 [0,0,0,0,0,0|1,1,1]=3 85 B18R3.1 Cc1csc2c1ncnc2N3CCOCC3 27a_100015191051_100000041020 [0,1,0,0,0,0|2,0,0]=3 86 B18R3.1 Cc1csc2c1ncnc2N3CCSCC3 27a_100000737611_100000041020 [0,1,0,0,0,0|2,1,0]=4 87 B18R3.1 Cn1ccc2c1ccnc2N3CCOCC3 27a_100015191051_100000048735 [0,1,0,0,0,0|2,0,0]=3 88 B18R3.1 Cn1ccc2c1ccnc2N3CCSCC3 27a_100000737611_100000048735 [0,1,0,0,0,0|2,1,0]=4 89 B18R3.1 Cn1ccc2c1nccc2N3CCOCC3 27a_100015191051_100010168893 [0,1,0,0,0,0|2,0,0]=3 90 B18R3.1 Cn1ccc2c1nccc2N3CCSCC3 27a_100000737611_100010168893 [0,1,0,0,0,0|2,1,0]=4 91 B18R3.1 Cn1ccc2c1ncnc2C3=CCOCC3 271570a_100000070234_100000076352 [0,1,0,0,0,0|2,0,1]=4 92 B18R3.1 Cn1ccc2c1ncnc2N3CC=CCC3 27a_100000698166_100000076352 [0,1,0,0,0,0|2,0,1]=4 93 B18R3.1 Cn1ccc2c1ncnc2N3CCOCC3 27a_100015191051_100000076352 [0,1,0,0,0,0|1,0,0]=2 94 B18R3.1 Cn1ccc2c1ncnc2N3CCSCC3 27a_100000737611_100000076352 [0,1,0,0,0,0|1,1,0]=3 95 B18R3.1 Cn1cnc2c1ccnc2C3=CCOCC3 271570a_100000070234_100000075535 [0,1,0,0,0,0|2,0,1]=4 96 B18R3.1 Cn1cnc2c1ccnc2N3CC=CCC3 27a_100000698166_100000075535 [0,1,0,0,0,0|2,0,1]=4 97 B18R3.1 Cn1cnc2c1ccnc2N3CCOCC3 27a_100015191051_100000075535 [0,1,0,0,0,0|1,0,0]=2 98 B18R3.1 Cn1cnc2c1ccnc2N3CCSCC3 27a_100000737611_100000075535 [0,1,0,0,0,0|1,1,0]=3 99 B18R3.1 Cn1cnc2c1ncnc2C3=CCCCC3 271570a_100000062251_100000058137 [0,1,0,0,0,0|2,0,1]=4 100 B18R3.1 Cn1cnc2c1ncnc2C3=CCNCC3 271570a_100000731432_100000058137 [0,1,0,0,0,0|2,0,1]=4 101 B18R3.1 Cn1cnc2c1ncnc2C3=CCOCC3 271570a_100000070234_100000058137 [0,1,0,0,0,0|1,0,1]=3 102 B18R3.1 Cn1cnc2c1ncnc2C3=CCSCC3 271570a_100010232141_100000058137 [0,1,0,0,0,0|1,1,1]=4 103 B18R3.1 Cn1cnc2c1ncnc2N3CC=CCC3 27a_100000698166_100000058137 [0,1,0,0,0,0|1,0,1]=3 104 B18R3.1 Cn1cnc2c1ncnc2N3CCOCC3 27a_100015191051_100000058137 [0,1,0,0,0,0|0,0,0]=1 105 B18R3.1 Cn1cnc2c1ncnc2N3CCSCC3 27a_100000737611_100000058137 [0,1,0,0,0,0|0,1,0]=2 106 B18R3.1 Cn1ncc2c1ccnc2N3CCOCC3 27a_100015191051_100015332818 [0,1,0,0,0,0|3,0,0]=4 107 B18R3.1 Cn1ncc2c1nccc2N3CCOCC3 27a_100015191051_100013479686 [0,1,0,0,0,0|3,0,0]=4 108 B18R3.1 Cn1ncc2c1ncnc2N3CCOCC3 27a_100015191051_100000242733 [0,1,0,0,0,0|2,0,0]=3 109 B18R3.1 Cn1ncc2c1ncnc2N3CCSCC3 27a_100000737611_100000242733 [0,1,0,0,0,0|2,1,0]=4 110 B18R3.174 Cc1cc(n2ncnc2n1)N3CCOCC3 27a_100015191051_100000195393 [0,1,0,0,0,0|2,0,1]=4 111 B18R3.174 Cc1nc(c2cc[nH]c2n1)C3=CCOCC3 271570a_100000070234_100000092993 [0,1,0,0,0,0|2,0,1]=4 112 B18R3.174 Cc1nc(c2cc[nH]c2n1)N3CC=CCC3 27a_100000698166_100000092993 [0,1,0,0,0,0|2,0,1]=4 113 B18R3.174 Cc1nc(c2cc[nH]c2n1)N3CCOCC3 27a_100015191051_100000092993 [0,1,0,0,0,0|1,0,0]=2 114 B18R3.174 Cc1nc(c2cc[nH]c2n1)N3CCSCC3 27a_100000737611_100000092993 [0,1,0,0,0,0|1,1,0]=3 115 B18R3.174 Cc1nc(c2ccsc2n1)N3CCOCC3 27a_100015191051_100000183124 [0,1,0,0,0,0|2,0,0]=3 116 B18R3.174 Cc1nc(c2ccsc2n1)N3CCSCC3 27a_100000737611_100000183124 [0,1,0,0,0,0|2,1,0]=4 117 B18R3.174 Cc1nc(c2cn[nH]c2n1)N3CCOCC3 27a_100015191051_100000745003 [0,1,0,0,0,0|2,0,0]=3 118 B18R3.174 Cc1nc(c2cn[nH]c2n1)N3CCSCC3 27a_100000737611_100000745003 [0,1,0,0,0,0|2,1,0]=4 119 B18R3.174 Cc1nc(c2sccc2n1)N3CCOCC3 27a_100015191051_100012000418 [0,1,0,0,0,0|2,0,0]=3 120 B18R3.174 Cc1nc(c2sccc2n1)N3CCSCC3 27a_100000737611_100012000418 [0,1,0,0,0,0|2,1,0]=4 121 B18R3.174 Cc1nc2c(c(n1)N3CCOCC3)CCC2 27a_100015191051_100011240833 [0,1,0,0,0,0|2,0,1]=4 122 B18R3.174 Fc1cc(c2cn[nH]c2n1)N3CCOCC3 27a_100015191051_103551249018 [0,1,0,0,0,0|3,0,0]=4 123 B18R3.174 Fc1nc(c2nc[nH]c2n1)N3CC=CCC3 27a_100000698166_100000061921 [0,1,0,0,0,0|1,0,1]=3 124 B18R3.174 Fc1nc(c2nc[nH]c2n1)N3CCOCC3 27a_100015191051_100000061921 [0,1,0,0,0,0|0,0,0]=1 125 B18R3.174 Fc1nc(c2nc[nH]c2n1)N3CCSCC3 27a_100000737611_100000061921 [0,1,0,0,0,0|0,1,0]=2 126 B18R3.174 Nc1nc(c-2ccnc2[nH]1)N3CCOCC3 27a_100015191051_100000068727 [0,1,0,0,0,0|1,0,2]=4 127 B18R3.174 Nc1nc(c2[nH]cnc2n1)N3CCOCC3 27a_100015191051_100000764887 [0,1,0,0,0,0|0,0,2]=3 128 B18R3.174 Nc1nc(c2[nH]cnc2n1)N3CCSCC3 27a_100000737611_100000764887 [0,1,0,0,0,0|0,1,2]=4 129 B18R3.174 Nc1nc(c2c[nH]nc2n1)N3CCOCC3 27a_100015191051_100000068426 [0,1,0,0,0,0|2,0,1]=4 130 B18R3.174 Nc1nc(c2nc[nH]c2n1)C3=CCCCC3 271570a_100000062251_200000049598 [0,1,0,0,0,0|2,0,1]=4 131 B18R3.174 Nc1nc(c2nc[nH]c2n1)C3=CCNCC3 271570a_100000731432_200000049598 [0,1,0,0,0,0|2,0,1]=4 132 B18R3.174 Nc1nc(c2nc[nH]c2n1)C3=CCOCC3 271570a_100000070234_200000049598 [0,1,0,0,0,0|1,0,1]=3 133 B18R3.174 Nc1nc(c2nc[nH]c2n1)C3=CCSCC3 271570a_100010232141_200000049598 [0,1,0,0,0,0|1,1,1]=4 134 B18R3.174 Oc1nc(c2ccsc2n1)N3CCOCC3 271570a_203496583355_100012354567 [0,1,0,0,0,0|2,0,0]=3 135 B18R3.174 Oc1nc(c2nc[nH]c2n1)N3CCOCC3 271570a_203496583355_200025704022 [0,1,0,0,0,0|0,0,0]=1 136 B18R3.174 Oc1nc(c2sccc2n1)N3CCOCC3 271570a_203496583355_100011248183 [0,1,0,0,0,0|2,0,0]=3 137 B18R3.213 Cc1cc2c(ncnc2[nH]1)C3=CCOCC3 271570a_100000070234_100009847220 [0,1,0,0,0,0|2,0,1]=4 138 B18R3.213 Cc1cc2c(ncnc2[nH]1)N3CC=CCC3 27a_100000698166_100009847220 [0,1,0,0,0,0|2,0,1]=4 139 B18R3.213 Cc1cc2c(ncnc2[nH]1)N3CCOCC3 27a_100015191051_100009847220 [0,1,0,0,0,0|1,0,0]=2 140 B18R3.213 Cc1cc2c(ncnc2[nH]1)N3CCSCC3 27a_100000737611_100009847220 [0,1,0,0,0,0|1,1,0]=3 141 B18R3.213 Cc1cc2c(ncnc2s1)N3CCOCC3 27a_100015191051_100000753035 [0,1,0,0,0,0|2,0,0]=3 142 B18R3.213 Cc1cc2c(ncnc2s1)N3CCSCC3 27a_100000737611_100000753035 [0,1,0,0,0,0|2,1,0]=4 143 B18R3.213 Cc1cc2ncnc(c2s1)N3CCOCC3 27a_100015191051_200009846640 [0,1,0,0,0,0|2,0,0]=3 144 B18R3.213 Cc1cc2ncnc(c2s1)N3CCSCC3 27a_100000737611_200009846640 [0,1,0,0,0,0|2,1,0]=4 145 B18R3.213 Cc1cn2ccnc(c2n1)N3CCOCC3 27a_100015191051_100000098434 [0,1,0,0,0,0|3,0,0]=4 146 B18R3.213 Cn1cc2ccnc(c2n1)N3CCOCC3 27a_100015191051_100010890759 [0,1,0,0,0,0|3,0,0]=4 147 B18R3.213 Nc1nc2c(nccn2n1)N3CCOCC3 27a_100015191051_100009987088 [0,1,0,0,0,0|2,0,1]=4 148 B18R3.3140 CC1CCCCN1c2ccnc3c2nc[nH]3 27a_100000211376_100009820729 [0,1,0,0,0,0|2,0,0]=3 149 B18R3.3140 CC1CCCCN1c2ccnc3c2nn[nH]3 27a_100000211376_100009853804 [0,1,0,0,0,0|3,0,0]=4 150 B18R3.3140 CC1CCCCN1c2ncnc3c2CCN3 27a_100000211376_200000104052 [0,1,0,0,0,0|2,0,1]=4 151 B18R3.3140 CC1CCCCN1c2ncnc3c2[nH]cc3 27a_100000211376_100000084117 [0,1,0,0,0,0|2,0,1]=4 152 B18R3.3140 CC1CCCCN1c2ncnc3c2[nH]cn3 27a_100000211376_100011215200 [0,1,0,0,0,0|1,0,2]=4 153 B18R3.3140 CC1CCCCN1c2ncnc3c2cco3 27a_100000211376_100000094286 [0,1,0,0,0,0|3,0,0]=4 154 B18R3.3140 CC1CCCCN1c2ncnc3c2ccs3 27a_100000211376_100000183654 [0,1,0,0,0,0|3,0,0]=4 155 B18R3.3140 CC1CCCCN1c2ncnc3c2cn[nH]3 27a_100000211376_100000735611 [0,1,0,0,0,0|3,0,0]=4 156 B18R3.3140 CC1CCCCN1c2ncnc3c2ncs3 27a_100000211376_100009860286 [0,1,0,0,0,0|2,0,0]=3 157 B18R3.3140 CC1CCCCN1c2ncnc3c2scc3 27a_100000211376_100000234879 [0,1,0,0,0,0|3,0,0]=4 158 B18R3.3140 C[C@H]1COCCN1c2ccnc3c2ccs3 27a_100009815349_100009861243 [0,1,0,0,0,0|3,0,0]=4 159 B18R3.3140 C[C@H]1COCCN1c2ccnc3c2nc[nH]3 27a_100009815349_100009820729 [0,1,0,0,0,0|1,0,0]=2 160 B18R3.3140 C[C@H]1COCCN1c2ccnc3c2nn[nH]3 27a_100009815349_100009853804 [0,1,0,0,0,0|2,0,0]=3 161 B18R3.3140 C[C@H]1COCCN1c2ccnc3c2scc3 27a_100009815349_100000764135 [0,1,0,0,0,0|3,0,0]=4 162 B18R3.3140 C[C@H]1COCCN1c2ccnc3n2ncc3 27a_100009815349_100000080991 [0,1,0,0,0,0|3,0,0]=4 163 B18R3.3140 C[C@H]1COCCN1c2nc[nH]c-3nccc23 27a_100009815349_100015350423 [0,1,0,0,0,0|1,0,2]=4 164 B18R3.3140 C[C@H]1COCCN1c2nccc3c2cco3 27a_100009815349_100000041166 [0,1,0,0,0,0|3,0,0]=4 165 B18R3.3140 C[C@H]1COCCN1c2nccc3c2ccs3 27a_100009815349_100000047778 [0,1,0,0,0,0|3,0,0]=4 166 B18R3.3140 C[C@H]1COCCN1c2nccc3c2scc3 27a_100009815349_100000117209 [0,1,0,0,0,0|3,0,0]=4 167 B18R3.3140 C[C@H]1COCCN1c2nccn3c2ncc3 27a_100009815349_102495338505 [0,1,0,0,0,0|3,0,0]=4 168 B18R3.3140 C[C@H]1COCCN1c2nccn3c2ncn3 27a_100009815349_100000094309 [0,1,0,0,0,0|2,0,1]=4 169 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2CCC3 27a_100009815349_100000750143 [0,1,0,0,0,0|2,0,1]=4 170 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2CCN3 27a_100009815349_200000104052 [0,1,0,0,0,0|1,0,1]=3 171 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2[nH]cc3 27a_100009815349_100000084117 [0,1,0,0,0,0|1,0,1]=3 172 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2[nH]cn3 27a_100009815349_100011215200 [0,1,0,0,0,0|0,0,2]=3 173 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2cco3 27a_100009815349_100000094286 [0,1,0,0,0,0|2,0,0]=3 174 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2ccs3 27a_100009815349_100000183654 [0,1,0,0,0,0|2,0,0]=3 175 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2cn[nH]3 27a_100009815349_100000735611 [0,1,0,0,0,0|2,0,0]=3 176 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2ncs3 27a_100009815349_100009860286 [0,1,0,0,0,0|1,0,0]=2 177 B18R3.3140 C[C@H]1COCCN1c2ncnc3c2scc3 27a_100009815349_100000234879 [0,1,0,0,0,0|2,0,0]=3 178 B18R3.3140 C[C@H]1COCCN1c2ncnn3c2ccc3 27a_100009815349_100000104113 [0,1,0,0,0,0|3,0,0]=4 179 B18R3.6433 Fc1cnc(c2c1[nH]cn2)C3=CCOCC3 271570a_100000070234_100009853726 [0,1,0,0,0,0|2,0,1]=4 180 B18R3.8788 C=C1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000752442_100009820729 [0,1,0,0,0,0|2,0,0]=3 181 B18R3.8788 C=C1CCN(CC1)c2ccnc3c2nn[nH]3 27a_100000752442_100009853804 [0,1,0,0,0,0|3,0,0]=4 182 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2CCN3 27a_100000752442_200000104052 [0,1,0,0,0,0|2,0,1]=4 183 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2[nH]cc3 27a_100000752442_100000084117 [0,1,0,0,0,0|2,0,1]=4 184 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2[nH]cn3 27a_100000752442_100011215200 [0,1,0,0,0,0|1,0,2]=4 185 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2cco3 27a_100000752442_100000094286 [0,1,0,0,0,0|3,0,0]=4 186 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2ccs3 27a_100000752442_100000183654 [0,1,0,0,0,0|3,0,0]=4 187 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2cn[nH]3 27a_100000752442_100000735611 [0,1,0,0,0,0|3,0,0]=4 188 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2ncs3 27a_100000752442_100009860286 [0,1,0,0,0,0|2,0,0]=3 189 B18R3.8788 C=C1CCN(CC1)c2ncnc3c2scc3 27a_100000752442_100000234879 [0,1,0,0,0,0|3,0,0]=4 190 B18R3.8788 CC1=CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000693516_100009820729 [0,1,0,0,0,0|2,0,1]=4 191 B18R3.8788 CC1=CCN(CC1)c2ncnc3c2ncs3 27a_100000693516_100009860286 [0,1,0,0,0,0|2,0,1]=4 192 B18R3.8788 CC1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000188429_100009820729 [0,1,0,0,0,0|2,0,0]=3 193 B18R3.8788 CC1CCN(CC1)c2ccnc3c2nn[nH]3 27a_100000188429_100009853804 [0,1,0,0,0,0|3,0,0]=4 194 B18R3.8788 CC1CCN(CC1)c2ncnc3c2CCN3 27a_100000188429_200000104052 [0,1,0,0,0,0|2,0,1]=4 195 B18R3.8788 CC1CCN(CC1)c2ncnc3c2[nH]cc3 27a_100000188429_100000084117 [0,1,0,0,0,0|2,0,1]=4 196 B18R3.8788 CC1CCN(CC1)c2ncnc3c2[nH]cn3 27a_100000188429_100011215200 [0,1,0,0,0,0|1,0,2]=4 197 B18R3.8788 CC1CCN(CC1)c2ncnc3c2cco3 27a_100000188429_100000094286 [0,1,0,0,0,0|3,0,0]=4 198 B18R3.8788 CC1CCN(CC1)c2ncnc3c2ccs3 27a_100000188429_100000183654 [0,1,0,0,0,0|3,0,0]=4 199 B18R3.8788 CC1CCN(CC1)c2ncnc3c2cn[nH]3 27a_100000188429_100000735611 [0,1,0,0,0,0|3,0,0]=4 200 B18R3.8788 CC1CCN(CC1)c2ncnc3c2ncs3 27a_100000188429_100009860286 [0,1,0,0,0,0|2,0,0]=3 201 B18R3.8788 CC1CCN(CC1)c2ncnc3c2scc3 27a_100000188429_100000234879 [0,1,0,0,0,0|3,0,0]=4 202 B18R3.8788 CN1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000188432_100009820729 [0,1,0,0,0,0|2,0,0]=3 203 B18R3.8788 CN1CCN(CC1)c2ccnc3c2nn[nH]3 27a_100000188432_100009853804 [0,1,0,0,0,0|3,0,0]=4 204 B18R3.8788 CN1CCN(CC1)c2ncnc3c2CCN3 27a_100000188432_200000104052 [0,1,0,0,0,0|2,0,1]=4 205 B18R3.8788 CN1CCN(CC1)c2ncnc3c2[nH]cc3 27a_100000188432_100000084117 [0,1,0,0,0,0|2,0,1]=4 206 B18R3.8788 CN1CCN(CC1)c2ncnc3c2[nH]cn3 27a_100000188432_100011215200 [0,1,0,0,0,0|1,0,2]=4 207 B18R3.8788 CN1CCN(CC1)c2ncnc3c2cco3 27a_100000188432_100000094286 [0,1,0,0,0,0|3,0,0]=4 208 B18R3.8788 CN1CCN(CC1)c2ncnc3c2ccs3 2230a_100000246666_200000210301 [0,1,0,0,0,0|3,0,0]=4 209 B18R3.8788 CN1CCN(CC1)c2ncnc3c2ccs3 269982a_100000246666_200000210301 [0,1,0,0,0,0|3,0,0]=4 210 B18R3.8788 CN1CCN(CC1)c2ncnc3c2ccs3 27a_100000188432_100000183654 [0,1,0,0,0,0|3,0,0]=4 211 B18R3.8788 CN1CCN(CC1)c2ncnc3c2cn[nH]3 27a_100000188432_100000735611 [0,1,0,0,0,0|3,0,0]=4 212 B18R3.8788 CN1CCN(CC1)c2ncnc3c2ncs3 27a_100000188432_100009860286 [0,1,0,0,0,0|2,0,0]=3 213 B18R3.8788 CN1CCN(CC1)c2ncnc3c2scc3 2230a_100000759722_200000210301 [0,1,0,0,0,0|3,0,0]=4 214 B18R3.8788 CN1CCN(CC1)c2ncnc3c2scc3 269982a_100000759722_200000210301 [0,1,0,0,0,0|3,0,0]=4 215 B18R3.8788 CN1CCN(CC1)c2ncnc3c2scc3 27a_100000188432_100000234879 [0,1,0,0,0,0|3,0,0]=4 216 B18R3.8788 FC1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100015193889_100009820729 [0,1,0,0,0,0|2,0,0]=3 217 B18R3.8788 FC1CCN(CC1)c2ccnc3c2nn[nH]3 27a_100015193889_100009853804 [0,1,0,0,0,0|3,0,0]=4 218 B18R3.8788 FC1CCN(CC1)c2ncnc3c2CCN3 27a_100015193889_200000104052 [0,1,0,0,0,0|2,0,1]=4 219 B18R3.8788 FC1CCN(CC1)c2ncnc3c2[nH]cc3 27a_100015193889_100000084117 [0,1,0,0,0,0|2,0,1]=4 220 B18R3.8788 FC1CCN(CC1)c2ncnc3c2[nH]cn3 27a_100015193889_100011215200 [0,1,0,0,0,0|1,0,2]=4 221 B18R3.8788 FC1CCN(CC1)c2ncnc3c2cco3 27a_100015193889_100000094286 [0,1,0,0,0,0|3,0,0]=4 222 B18R3.8788 FC1CCN(CC1)c2ncnc3c2ccs3 27a_100015193889_100000183654 [0,1,0,0,0,0|3,0,0]=4 223 B18R3.8788 FC1CCN(CC1)c2ncnc3c2cn[nH]3 27a_100015193889_100000735611 [0,1,0,0,0,0|3,0,0]=4 224 B18R3.8788 FC1CCN(CC1)c2ncnc3c2ncs3 27a_100015193889_100009860286 [0,1,0,0,0,0|2,0,0]=3 225 B18R3.8788 FC1CCN(CC1)c2ncnc3c2scc3 27a_100015193889_100000234879 [0,1,0,0,0,0|3,0,0]=4 226 B18R3.8788 O=S1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000752083_100009820729 [0,1,0,0,0,0|1,1,0]=3 227 B18R3.8788 O=S1CCN(CC1)c2ccnc3c2nn[nH]3 27a_100000752083_100009853804 [0,1,0,0,0,0|2,1,0]=4 228 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2CCN3 27a_100000752083_200000104052 [0,1,0,0,0,0|1,1,1]=4 229 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2[nH]cc3 27a_100000752083_100000084117 [0,1,0,0,0,0|1,1,1]=4 230 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2[nH]cn3 27a_100000752083_100011215200 [0,1,0,0,0,0|0,1,2]=4 231 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2cco3 27a_100000752083_100000094286 [0,1,0,0,0,0|2,1,0]=4 232 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2ccs3 27a_100000752083_100000183654 [0,1,0,0,0,0|2,1,0]=4 233 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2cn[nH]3 27a_100000752083_100000735611 [0,1,0,0,0,0|2,1,0]=4 234 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2ncs3 27a_100000752083_100009860286 [0,1,0,0,0,0|1,1,0]=3 235 B18R3.8788 O=S1CCN(CC1)c2ncnc3c2scc3 27a_100000752083_100000234879 [0,1,0,0,0,0|2,1,0]=4 236 B18R3.8788 OC1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100025773856_100009820729 [0,1,0,0,0,0|2,0,0]=3 237 B18R3.8788 OC1CCN(CC1)c2ccnc3c2nn[nH]3 27a_100025773856_100009853804 [0,1,0,0,0,0|3,0,0]=4 238 B18R3.8788 OC1CCN(CC1)c2ncnc3c2CCN3 27a_100025773856_200000104052 [0,1,0,0,0,0|2,0,1]=4 239 B18R3.8788 OC1CCN(CC1)c2ncnc3c2[nH]cc3 27a_100025773856_100000084117 [0,1,0,0,0,0|2,0,1]=4 240 B18R3.8788 OC1CCN(CC1)c2ncnc3c2[nH]cn3 27a_100025773856_100011215200 [0,1,0,0,0,0|1,0,2]=4 241 B18R3.8788 OC1CCN(CC1)c2ncnc3c2cco3 27a_100025773856_100000094286 [0,1,0,0,0,0|3,0,0]=4 242 B18R3.8788 OC1CCN(CC1)c2ncnc3c2ccs3 27a_100025773856_100000183654 [0,1,0,0,0,0|3,0,0]=4 243 B18R3.8788 OC1CCN(CC1)c2ncnc3c2cn[nH]3 27a_100025773856_100000735611 [0,1,0,0,0,0|3,0,0]=4 244 B18R3.8788 OC1CCN(CC1)c2ncnc3c2ncs3 27a_100025773856_100009860286 [0,1,0,0,0,0|2,0,0]=3 245 B18R3.8788 OC1CCN(CC1)c2ncnc3c2scc3 27a_100025773856_100000234879 [0,1,0,0,0,0|3,0,0]=4 246 B18R3.8788 [13CH3]N1CCN(CC1)c2ncnc3c2ccs3 2230a_100000246666_200025704644 [0,1,0,0,0,0|3,0,0]=4 247 B18R3.8788 [13CH3]N1CCN(CC1)c2ncnc3c2ccs3 269982a_100000246666_200025704644 [0,1,0,0,0,0|3,0,0]=4 248 B18R3.8788 [13CH3]N1CCN(CC1)c2ncnc3c2scc3 2230a_100000759722_200025704644 [0,1,0,0,0,0|3,0,0]=4 249 B18R3.8788 [13CH3]N1CCN(CC1)c2ncnc3c2scc3 269982a_100000759722_200025704644 [0,1,0,0,0,0|3,0,0]=4 250 B18R3.31674 CC1=CCCN(C1)c2ccnc3c2nc[nH]3 27a_100000725631_100009820729 [0,1,0,0,0,0|2,0,1]=4 251 B18R3.31674 CC1=CCCN(C1)c2ncnc3c2ncs3 27a_100000725631_100009860286 [0,1,0,0,0,0|2,0,1]=4 252 B18R3.31674 CC1CN(CCO1)c2ccnc3c2ccs3 27a_100000729577_100009861243 [0,1,0,0,0,0|3,0,0]=4 253 B18R3.31674 CC1CN(CCO1)c2ccnc3c2nc[nH]3 27a_100000729577_100009820729 [0,1,0,0,0,0|1,0,0]=2 254 B18R3.31674 CC1CN(CCO1)c2ccnc3c2nn[nH]3 27a_100000729577_100009853804 [0,1,0,0,0,0|2,0,0]=3 255 B18R3.31674 CC1CN(CCO1)c2ccnc3c2scc3 27a_100000729577_100000764135 [0,1,0,0,0,0|3,0,0]=4 256 B18R3.31674 CC1CN(CCO1)c2ccnc3n2ncc3 27a_100000729577_100000080991 [0,1,0,0,0,0|3,0,0]=4 257 B18R3.31674 CC1CN(CCO1)c2nc[nH]c-3nccc23 27a_100000729577_100015350423 [0,1,0,0,0,0|1,0,2]=4 258 B18R3.31674 CC1CN(CCO1)c2nccc3c2cco3 27a_100000729577_100000041166 [0,1,0,0,0,0|3,0,0]=4 259 B18R3.31674 CC1CN(CCO1)c2nccc3c2ccs3 27a_100000729577_100000047778 [0,1,0,0,0,0|3,0,0]=4 260 B18R3.31674 CC1CN(CCO1)c2nccc3c2scc3 27a_100000729577_100000117209 [0,1,0,0,0,0|3,0,0]=4 261 B18R3.31674 CC1CN(CCO1)c2nccn3c2ncc3 27a_100000729577_102495338505 [0,1,0,0,0,0|3,0,0]=4 262 B18R3.31674 CC1CN(CCO1)c2nccn3c2ncn3 27a_100000729577_100000094309 [0,1,0,0,0,0|2,0,1]=4 263 B18R3.31674 CC1CN(CCO1)c2ncnc3c2CCC3 27a_100000729577_100000750143 [0,1,0,0,0,0|2,0,1]=4 264 B18R3.31674 CC1CN(CCO1)c2ncnc3c2CCN3 27a_100000729577_200000104052 [0,1,0,0,0,0|1,0,1]=3 265 B18R3.31674 CC1CN(CCO1)c2ncnc3c2[nH]cc3 27a_100000729577_100000084117 [0,1,0,0,0,0|1,0,1]=3 266 B18R3.31674 CC1CN(CCO1)c2ncnc3c2[nH]cn3 27a_100000729577_100011215200 [0,1,0,0,0,0|0,0,2]=3 267 B18R3.31674 CC1CN(CCO1)c2ncnc3c2cco3 27a_100000729577_100000094286 [0,1,0,0,0,0|2,0,0]=3 268 B18R3.31674 CC1CN(CCO1)c2ncnc3c2ccs3 27a_100000729577_100000183654 [0,1,0,0,0,0|2,0,0]=3 269 B18R3.31674 CC1CN(CCO1)c2ncnc3c2cn[nH]3 27a_100000729577_100000735611 [0,1,0,0,0,0|2,0,0]=3 270 B18R3.31674 CC1CN(CCO1)c2ncnc3c2ncs3 27a_100000729577_100009860286 [0,1,0,0,0,0|1,0,0]=2 271 B18R3.31674 CC1CN(CCO1)c2ncnc3c2scc3 27a_100000729577_100000234879 [0,1,0,0,0,0|2,0,0]=3 272 B18R3.31674 CC1CN(CCO1)c2ncnn3c2ccc3 27a_100000729577_100000104113 [0,1,0,0,0,0|3,0,0]=4 273 B18R3.31674 C[C@H]1CCCN(C1)c2ccnc3c2nc[nH]3 27a_100000717927_100009820729 [0,1,0,0,0,0|2,0,0]=3 274 B18R3.31674 C[C@H]1CCCN(C1)c2ccnc3c2nn[nH]3 27a_100000717927_100009853804 [0,1,0,0,0,0|3,0,0]=4 275 B18R3.31674 C[C@H]1CCCN(C1)c2ncnc3c2CCN3 27a_100000717927_200000104052 [0,1,0,0,0,0|2,0,1]=4 276 B18R3.31674 C[C@H]1CCCN(C1)c2ncnc3c2[nH]cc3 27a_100000717927_100000084117 [0,1,0,0,0,0|2,0,1]=4 277 B18R3.31674 C[C@H]1CCCN(C1)c2ncnc3c2[nH]cn3 27a_100000717927_100011215200 [0,1,0,0,0,0|1,0,2]=4 278 B18R3.31674 C[C@H]1CCCN(C1)c2ncnc3c2cco3 27a_100000717927_100000094286 [0,1,0,0,0,0|3,0,0]=4 279 B18R3.31674 C[C@H]1CCCN(C1)c2ncnc3c2ccs3 27a_100000717927_100000183654 [0,1,0,0,0,0|3,0,0]=4 280 B18R3.31674 C[C@H]1CCCN(C1)c2ncnc3c2cn[nH]3 27a_100000717927_100000735611 [0,1,0,0,0,0|3,0,0]=4 281 B18R3.31674 C[C@H]1CCCN(C1)c2ncnc3c2ncs3 27a_100000717927_100009860286 [0,1,0,0,0,0|2,0,0]=3 282 B18R3.31674 C[C@H]1CCCN(C1)c2ncnc3c2scc3 27a_100000717927_100000234879 [0,1,0,0,0,0|3,0,0]=4 283 B18R3.31674 FC1CCCN(C1)c2ccnc3c2nc[nH]3 27a_100000697950_100009820729 [0,1,0,0,0,0|2,0,0]=3 284 B18R3.31674 FC1CCCN(C1)c2ccnc3c2nn[nH]3 27a_100000697950_100009853804 [0,1,0,0,0,0|3,0,0]=4 285 B18R3.31674 FC1CCCN(C1)c2ncnc3c2CCN3 27a_100000697950_200000104052 [0,1,0,0,0,0|2,0,1]=4 286 B18R3.31674 FC1CCCN(C1)c2ncnc3c2[nH]cc3 27a_100000697950_100000084117 [0,1,0,0,0,0|2,0,1]=4 287 B18R3.31674 FC1CCCN(C1)c2ncnc3c2[nH]cn3 27a_100000697950_100011215200 [0,1,0,0,0,0|1,0,2]=4 288 B18R3.31674 FC1CCCN(C1)c2ncnc3c2cco3 27a_100000697950_100000094286 [0,1,0,0,0,0|3,0,0]=4 289 B18R3.31674 FC1CCCN(C1)c2ncnc3c2ccs3 27a_100000697950_100000183654 [0,1,0,0,0,0|3,0,0]=4 290 B18R3.31674 FC1CCCN(C1)c2ncnc3c2cn[nH]3 27a_100000697950_100000735611 [0,1,0,0,0,0|3,0,0]=4 291 B18R3.31674 FC1CCCN(C1)c2ncnc3c2ncs3 27a_100000697950_100009860286 [0,1,0,0,0,0|2,0,0]=3 292 B18R3.31674 FC1CCCN(C1)c2ncnc3c2scc3 27a_100000697950_100000234879 [0,1,0,0,0,0|3,0,0]=4 293 B18R3.31674 O=C1CN(CCN1)c2ccnc3c2nc[nH]3 27a_100000184651_100009820729 [0,1,0,0,0,0|2,0,1]=4 294 B18R3.31674 O=C1CN(CCN1)c2ncnc3c2ncs3 27a_100000184651_100009860286 [0,1,0,0,0,0|2,0,1]=4 295 B18R3.31674 OC1CCCN(C1)c2ccnc3c2nc[nH]3 27a_100000211013_100009820729 [0,1,0,0,0,0|2,0,0]=3 296 B18R3.31674 OC1CCCN(C1)c2ccnc3c2nn[nH]3 27a_100000211013_100009853804 [0,1,0,0,0,0|3,0,0]=4 297 B18R3.31674 OC1CCCN(C1)c2ncnc3c2CCN3 27a_100000211013_200000104052 [0,1,0,0,0,0|2,0,1]=4 298 B18R3.31674 OC1CCCN(C1)c2ncnc3c2[nH]cc3 27a_100000211013_100000084117 [0,1,0,0,0,0|2,0,1]=4 299 B18R3.31674 OC1CCCN(C1)c2ncnc3c2[nH]cn3 27a_100000211013_100011215200 [0,1,0,0,0,0|1,0,2]=4 300 B18R3.31674 OC1CCCN(C1)c2ncnc3c2cco3 27a_100000211013_100000094286 [0,1,0,0,0,0|3,0,0]=4 301 B18R3.31674 OC1CCCN(C1)c2ncnc3c2ccs3 27a_100000211013_100000183654 [0,1,0,0,0,0|3,0,0]=4 302 B18R3.31674 OC1CCCN(C1)c2ncnc3c2cn[nH]3 27a_100000211013_100000735611 [0,1,0,0,0,0|3,0,0]=4 303 B18R3.31674 OC1CCCN(C1)c2ncnc3c2ncs3 27a_100000211013_100009860286 [0,1,0,0,0,0|2,0,0]=3 304 B18R3.31674 OC1CCCN(C1)c2ncnc3c2scc3 27a_100000211013_100000234879 [0,1,0,0,0,0|3,0,0]=4 305 B18R3.51480 Cc1c[nH]c2c1c(ncn2)C3=CCOCC3 271570a_100000070234_100000092391 [0,1,0,0,0,0|2,0,1]=4 306 B18R3.51480 Cc1c[nH]c2c1c(ncn2)N3CC=CCC3 27a_100000698166_100000092391 [0,1,0,0,0,0|2,0,1]=4 307 B18R3.51480 Cc1c[nH]c2c1c(ncn2)N3CCOCC3 27a_100015191051_100000092391 [0,1,0,0,0,0|1,0,0]=2 308 B18R3.51480 Cc1c[nH]c2c1c(ncn2)N3CCSCC3 27a_100000737611_100000092391 [0,1,0,0,0,0|1,1,0]=3 309 B18R3.51480 Cc1csc2c1c(ncn2)N3CCOCC3 27a_100015191051_100000040732 [0,1,0,0,0,0|2,0,0]=3 310 B18R3.51480 Cc1csc2c1c(ncn2)N3CCSCC3 27a_100000737611_100000040732 [0,1,0,0,0,0|2,1,0]=4 311 B18R3.51480 Cn1ccc2c1c(ncn2)N3CCOCC3 27a_100015191051_100009847513 [0,1,0,0,0,0|1,0,1]=3 312 B18R3.51480 Cn1ccc2c1c(ncn2)N3CCSCC3 27a_100000737611_100009847513 [0,1,0,0,0,0|1,1,1]=4 313 B18R3.51480 Cn1cnc2c1c(ncn2)N3CCOCC3 27a_100015191051_100000078800 [0,1,0,0,0,0|0,0,2]=3 314 B18R3.51480 Cn1cnc2c1c(ncn2)N3CCSCC3 27a_100000737611_100000078800 [0,1,0,0,0,0|0,1,2]=4 315 B18R3.51480 Cn1ncc2c1c(ncn2)N3CCOCC3 27a_100015191051_100000098498 [0,1,0,0,0,0|2,0,1]=4 316 B18R3.51480 Fc1c[nH]c2c1c(ncn2)N3CC=CCC3 27a_100000698166_100009880486 [0,1,0,0,0,0|2,0,1]=4 317 B18R3.51480 Fc1c[nH]c2c1c(ncn2)N3CCOCC3 27a_100015191051_100009880486 [0,1,0,0,0,0|1,0,0]=2 318 B18R3.51480 Fc1c[nH]c2c1c(ncn2)N3CCSCC3 27a_100000737611_100009880486 [0,1,0,0,0,0|1,1,0]=3 319 B16R2.24 C=Cc1ncnc(c1N)N2CCCCC2 271570a_100011290941_200011794917 [0,0,1,0,0,0|2,0,1]=4 320 B16R2.24 CCc1ncnc(c1F)N2CCOCC2 27a_100015191051_100000685531 [0,0,1,0,0,0|2,0,1]=4 321 B16R2.24 CNc1ncnc(c1C)N2CCOCC2 27a_100015191051_200011913118 [0,0,1,0,0,0|1,0,1]=3 322 B16R2.24 CNc1ncnc(c1C)N2CCSCC2 27a_100000737611_200011913118 [0,0,1,0,0,0|1,1,1]=4 323 B16R2.24 COc1ncnc(c1C)N2CCOCC2 27a_100015191051_200011912725 [0,0,1,0,0,0|2,0,1]=4 324 B16R2.94 C=C=Cc1cc(ncn1)N2CCOCC2 271570a_100015277604_100000242505 [0,0,1,0,0,0|2,0,1]=4 325 B16R2.94 CC=Cc1cc(ccn1)N2CCOCC2 271570a_100016259895_100000766658 [0,0,1,0,0,0|3,0,0]=4 326 B16R2.94 CC=Cc1cc(ncn1)N2CCCCC2 271570a_100016259895_100000242479 [0,0,1,0,0,0|3,0,0]=4 327 B16R2.94 CC=Cc1cc(ncn1)N2CCNCC2 271570a_100016259895_100000757499 [0,0,1,0,0,0|3,0,0]=4 328 B16R2.94 CC=Cc1cc(ncn1)N2CCOCC2 271570a_100016259895_100000242505 [0,0,1,0,0,0|2,0,0]=3 329 B16R2.94 CC=Cc1ccnc(c1)N2CCOCC2 271570a_100016259895_100000732431 [0,0,1,0,0,0|3,0,0]=4 330 B16R2.94 CCNc1cc(ncn1)N2CCCCC2 27a_100015525214_100000242479 [0,0,1,0,0,0|2,0,1]=4 331 B16R2.94 CCNc1cc(ncn1)N2CCNCC2 27a_100015525214_100000757499 [0,0,1,0,0,0|2,0,1]=4 332 B16R2.94 CCNc1cc(ncn1)N2CCOCC2 27a_100015191051_200000242512 [0,0,1,0,0,0|1,0,1]=3 333 B16R2.94 CCNc1cc(ncn1)N2CCOCC2 27a_100015525214_100000242505 [0,0,1,0,0,0|1,0,1]=3 334 B16R2.94 CCNc1cc(ncn1)N2CCSCC2 27a_100000737611_200000242512 [0,0,1,0,0,0|1,1,1]=4 335 B16R2.94 CCOc1cc(ncn1)N2CCOCC2 27a_100015191051_100000765465 [0,0,1,0,0,0|2,0,1]=4 336 B16R2.94 CCSc1cc(ncn1)N2CCOCC2 62a_100000210202_100000242505 [0,0,1,0,0,0|2,0,1]=4 337 B16R2.94 CCSc1cc(ncn1)N2CCOCC2 62a_100000242505_100000210202 [0,0,1,0,0,0|2,0,1]=4 338 B16R2.94 COCc1cc(ncn1)N2CCOCC2 27a_100015191051_100000688101 [0,0,1,0,0,0|3,0,0]=4 339 B16R2.94 FCSc1cc(ncn1)N2CCOCC2 62a_100000242505_100015361967 [0,0,1,0,0,0|2,0,1]=4 340 B16R2.94 FCSc1cc(ncn1)N2CCOCC2 62a_100015361967_100000242505 [0,0,1,0,0,0|2,0,1]=4 341 B16R2.98 CC=Cc1cccnc1N2CCOCC2 271570a_100016259895_200011465045 [0,0,1,0,0,0|3,0,0]=4 342 B16R2.2602 COc1c(ncnc1N2CCOCC2)N 27a_100015191051_100011998528 [0,0,1,0,0,0|1,0,1]=3 343 B16R2.2602 COc1c(ncnc1N2CCSCC2)N 27a_100000737611_100011998528 [0,0,1,0,0,0|1,1,1]=4 344 B16R2.2602 N#Cc1c(ncnc1N2CCOCC2)N 27a_100015191051_100000086035 [0,0,1,0,0,0|2,0,0]=3 345 B16R2.2602 N#Cc1c(ncnc1N2CCSCC2)N 27a_100000737611_100000086035 [0,0,1,0,0,0|2,1,0]=4 346 B16R2.4630 C=CCCN(C)c1ccnc2c1nc[nH]2 27a_100020639649_100009820729 [0,0,1,0,0,0|2,0,1]=4 347 B16R2.4630 C=CCCN(C)c1ncnc2c1ncs2 27a_100020639649_100009860286 [0,0,1,0,0,0|2,0,1]=4 348 B16R2.4630 CCCCN(C)c1ccnc2c1nc[nH]2 27a_100000207549_100009820729 [0,0,1,0,0,0|2,0,0]=3 349 B16R2.4630 CCCCN(C)c1ccnc2c1nn[nH]2 27a_100000207549_100009853804 [0,0,1,0,0,0|3,0,0]=4 350 B16R2.4630 CCCCN(C)c1ncnc2c1CCN2 27a_100000207549_200000104052 [0,0,1,0,0,0|2,0,1]=4 351 B16R2.4630 CCCCN(C)c1ncnc2c1[nH]cc2 27a_100000207549_100000084117 [0,0,1,0,0,0|2,0,1]=4 352 B16R2.4630 CCCCN(C)c1ncnc2c1[nH]cn2 27a_100000207549_100011215200 [0,0,1,0,0,0|1,0,2]=4 353 B16R2.4630 CCCCN(C)c1ncnc2c1cco2 27a_100000207549_100000094286 [0,0,1,0,0,0|3,0,0]=4 354 B16R2.4630 CCCCN(C)c1ncnc2c1ccs2 27a_100000207549_100000183654 [0,0,1,0,0,0|3,0,0]=4 355 B16R2.4630 CCCCN(C)c1ncnc2c1cn[nH]2 27a_100000207549_100000735611 [0,0,1,0,0,0|3,0,0]=4 356 B16R2.4630 CCCCN(C)c1ncnc2c1ncs2 27a_100000207549_100009860286 [0,0,1,0,0,0|2,0,0]=3 357 B16R2.4630 CCCCN(C)c1ncnc2c1scc2 27a_100000207549_100000234879 [0,0,1,0,0,0|3,0,0]=4 358 B16R2.4630 CN(CCC#N)c1ccnc2c1nc[nH]2 27a_100000184479_100009820729 [0,0,1,0,0,0|3,0,0]=4 359 B16R2.4630 CN(CCC#N)c1ncnc2c1ncs2 27a_100000184479_100009860286 [0,0,1,0,0,0|3,0,0]=4 360 B16R2.4630 CN(CCCO)c1ccnc2c1nc[nH]2 27a_100000213112_100009820729 [0,0,1,0,0,0|3,0,0]=4 361 B16R2.4630 CN(CCCO)c1ncnc2c1ncs2 27a_100000213112_100009860286 [0,0,1,0,0,0|3,0,0]=4 362 B16R2.4630 COCCN(C)c1ccnc2c1ccs2 27a_100000743101_100009861243 [0,0,1,0,0,0|3,0,0]=4 363 B16R2.4630 COCCN(C)c1ccnc2c1nc[nH]2 27a_100000743101_100009820729 [0,0,1,0,0,0|1,0,0]=2 364 B16R2.4630 COCCN(C)c1ccnc2c1nn[nH]2 27a_100000743101_100009853804 [0,0,1,0,0,0|2,0,0]=3 365 B16R2.4630 COCCN(C)c1ccnc2c1scc2 27a_100000743101_100000764135 [0,0,1,0,0,0|3,0,0]=4 366 B16R2.4630 COCCN(C)c1ccnc2n1ncc2 27a_100000743101_100000080991 [0,0,1,0,0,0|3,0,0]=4 367 B16R2.4630 COCCN(C)c1nc[nH]c-2nccc12 27a_100000743101_100015350423 [0,0,1,0,0,0|1,0,2]=4 368 B16R2.4630 COCCN(C)c1nccc2c1cco2 27a_100000743101_100000041166 [0,0,1,0,0,0|3,0,0]=4 369 B16R2.4630 COCCN(C)c1nccc2c1ccs2 27a_100000743101_100000047778 [0,0,1,0,0,0|3,0,0]=4 370 B16R2.4630 COCCN(C)c1nccc2c1scc2 27a_100000743101_100000117209 [0,0,1,0,0,0|3,0,0]=4 371 B16R2.4630 COCCN(C)c1nccn2c1ncc2 27a_100000743101_102495338505 [0,0,1,0,0,0|3,0,0]=4 372 B16R2.4630 COCCN(C)c1nccn2c1ncn2 27a_100000743101_100000094309 [0,0,1,0,0,0|2,0,1]=4 373 B16R2.4630 COCCN(C)c1ncnc2c1CCC2 27a_100000743101_100000750143 [0,0,1,0,0,0|2,0,1]=4 374 B16R2.4630 COCCN(C)c1ncnc2c1CCN2 27a_100000743101_200000104052 [0,0,1,0,0,0|1,0,1]=3 375 B16R2.4630 COCCN(C)c1ncnc2c1[nH]cc2 27a_100000743101_100000084117 [0,0,1,0,0,0|1,0,1]=3 376 B16R2.4630 COCCN(C)c1ncnc2c1[nH]cn2 27a_100000743101_100011215200 [0,0,1,0,0,0|0,0,2]=3 377 B16R2.4630 COCCN(C)c1ncnc2c1cco2 27a_100000743101_100000094286 [0,0,1,0,0,0|2,0,0]=3 378 B16R2.4630 COCCN(C)c1ncnc2c1ccs2 27a_100000743101_100000183654 [0,0,1,0,0,0|2,0,0]=3 379 B16R2.4630 COCCN(C)c1ncnc2c1cn[nH]2 27a_100000743101_100000735611 [0,0,1,0,0,0|2,0,0]=3 380 B16R2.4630 COCCN(C)c1ncnc2c1ncs2 27a_100000743101_100009860286 [0,0,1,0,0,0|1,0,0]=2 381 B16R2.4630 COCCN(C)c1ncnc2c1scc2 27a_100000743101_100000234879 [0,0,1,0,0,0|2,0,0]=3 382 B16R2.4630 COCCN(C)c1ncnn2c1ccc2 27a_100000743101_100000104113 [0,0,1,0,0,0|3,0,0]=4 383 B16R2.4630 CSCCN(C)c1ccnc2c1nc[nH]2 27a_100000686725_100009820729 [0,0,1,0,0,0|1,1,0]=3 384 B16R2.4630 CSCCN(C)c1ccnc2c1nn[nH]2 27a_100000686725_100009853804 [0,0,1,0,0,0|2,1,0]=4 385 B16R2.4630 CSCCN(C)c1ncnc2c1CCN2 27a_100000686725_200000104052 [0,0,1,0,0,0|1,1,1]=4 386 B16R2.4630 CSCCN(C)c1ncnc2c1[nH]cc2 27a_100000686725_100000084117 [0,0,1,0,0,0|1,1,1]=4 387 B16R2.4630 CSCCN(C)c1ncnc2c1[nH]cn2 27a_100000686725_100011215200 [0,0,1,0,0,0|0,1,2]=4 388 B16R2.4630 CSCCN(C)c1ncnc2c1cco2 27a_100000686725_100000094286 [0,0,1,0,0,0|2,1,0]=4 389 B16R2.4630 CSCCN(C)c1ncnc2c1ccs2 27a_100000686725_100000183654 [0,0,1,0,0,0|2,1,0]=4 390 B16R2.4630 CSCCN(C)c1ncnc2c1cn[nH]2 27a_100000686725_100000735611 [0,0,1,0,0,0|2,1,0]=4 391 B16R2.4630 CSCCN(C)c1ncnc2c1ncs2 27a_100000686725_100009860286 [0,0,1,0,0,0|1,1,0]=3 392 B16R2.4630 CSCCN(C)c1ncnc2c1scc2 27a_100000686725_100000234879 [0,0,1,0,0,0|2,1,0]=4 393 B16R2.11632 CCCCCNc1ccnc2c1nc[nH]2 27a_100000209983_100009820729 [0,0,1,0,0,0|2,0,0]=3 394 B16R2.11632 CCCCCNc1ccnc2c1nn[nH]2 27a_100000209983_100009853804 [0,0,1,0,0,0|3,0,0]=4 395 B16R2.11632 CCCCCNc1ncnc2c1CCN2 27a_100000209983_200000104052 [0,0,1,0,0,0|2,0,1]=4 396 B16R2.11632 CCCCCNc1ncnc2c1[nH]cc2 27a_100000209983_100000084117 [0,0,1,0,0,0|2,0,1]=4 397 B16R2.11632 CCCCCNc1ncnc2c1[nH]cn2 27a_100000209983_100011215200 [0,0,1,0,0,0|1,0,2]=4 398 B16R2.11632 CCCCCNc1ncnc2c1cco2 27a_100000209983_100000094286 [0,0,1,0,0,0|3,0,0]=4 399 B16R2.11632 CCCCCNc1ncnc2c1ccs2 27a_100000209983_100000183654 [0,0,1,0,0,0|3,0,0]=4 400 B16R2.11632 CCCCCNc1ncnc2c1cn[nH]2 27a_100000209983_100000735611 [0,0,1,0,0,0|3,0,0]=4 401 B16R2.11632 CCCCCNc1ncnc2c1ncs2 27a_100000209983_100009860286 [0,0,1,0,0,0|2,0,0]=3 402 B16R2.11632 CCCCCNc1ncnc2c1scc2 27a_100000209983_100000234879 [0,0,1,0,0,0|3,0,0]=4 403 B16R2.11632 CCCCCSc1ccnc2c1nc[nH]2 62a_100000210326_100009820729 [0,0,1,0,0,0|3,0,0]=4 404 B16R2.11632 CCCCCSc1nccc2c1nc[nH]2 62a_100000210326_100009820035 [0,0,1,0,0,0|3,0,0]=4 405 B16R2.11632 CCCCCSc1ncnc2c1ncs2 62a_100000210326_100009860286 [0,0,1,0,0,0|3,0,0]=4 406 B16R2.11632 CCOCCNc1cccc2c1nco2 34a_100000717946_100000210147 [0,0,1,0,0,0|3,0,0]=4 407 B16R2.11632 CCOCCNc1ccnc2c1ccs2 27a_100011200944_100009861243 [0,0,1,0,0,0|3,0,0]=4 408 B16R2.11632 CCOCCNc1ccnc2c1nc[nH]2 27a_100011200944_100009820729 [0,0,1,0,0,0|1,0,0]=2 409 B16R2.11632 CCOCCNc1ccnc2c1nn[nH]2 27a_100011200944_100009853804 [0,0,1,0,0,0|2,0,0]=3 410 B16R2.11632 CCOCCNc1ccnc2c1scc2 27a_100011200944_100000764135 [0,0,1,0,0,0|3,0,0]=4 411 B16R2.11632 CCOCCNc1ccnc2n1ncc2 27a_100011200944_100000080991 [0,0,1,0,0,0|3,0,0]=4 412 B16R2.11632 CCOCCNc1nc[nH]c-2nccc12 27a_100011200944_100015350423 [0,0,1,0,0,0|1,0,2]=4 413 B16R2.11632 CCOCCNc1nccc2c1cco2 27a_100011200944_100000041166 [0,0,1,0,0,0|3,0,0]=4 414 B16R2.11632 CCOCCNc1nccc2c1ccs2 27a_100011200944_100000047778 [0,0,1,0,0,0|3,0,0]=4 415 B16R2.11632 CCOCCNc1nccc2c1scc2 27a_100011200944_100000117209 [0,0,1,0,0,0|3,0,0]=4 416 B16R2.11632 CCOCCNc1nccn2c1ncc2 27a_100011200944_102495338505 [0,0,1,0,0,0|3,0,0]=4 417 B16R2.11632 CCOCCNc1nccn2c1ncn2 27a_100011200944_100000094309 [0,0,1,0,0,0|2,0,1]=4 418 B16R2.11632 CCOCCNc1ncnc2c1CCC2 27a_100011200944_100000750143 [0,0,1,0,0,0|2,0,1]=4 419 B16R2.11632 CCOCCNc1ncnc2c1CCN2 27a_100011200944_200000104052 [0,0,1,0,0,0|1,0,1]=3 420 B16R2.11632 CCOCCNc1ncnc2c1[nH]cc2 27a_100011200944_100000084117 [0,0,1,0,0,0|1,0,1]=3 421 B16R2.11632 CCOCCNc1ncnc2c1[nH]cn2 27a_100011200944_100011215200 [0,0,1,0,0,0|0,0,2]=3 422 B16R2.11632 CCOCCNc1ncnc2c1cco2 27a_100011200944_100000094286 [0,0,1,0,0,0|2,0,0]=3 423 B16R2.11632 CCOCCNc1ncnc2c1ccs2 27a_100011200944_100000183654 [0,0,1,0,0,0|2,0,0]=3 424 B16R2.11632 CCOCCNc1ncnc2c1cn[nH]2 27a_100011200944_100000735611 [0,0,1,0,0,0|2,0,0]=3 425 B16R2.11632 CCOCCNc1ncnc2c1ncs2 27a_100011200944_100009860286 [0,0,1,0,0,0|1,0,0]=2 426 B16R2.11632 CCOCCNc1ncnc2c1scc2 27a_100011200944_100000234879 [0,0,1,0,0,0|2,0,0]=3 427 B16R2.11632 CCOCCNc1ncnn2c1ccc2 27a_100011200944_100000104113 [0,0,1,0,0,0|3,0,0]=4 428 B16R2.11632 CCOCCSc1cccc2c1nc[nH]2 62a_100000210147_100011935113 [0,0,1,0,0,0|3,0,0]=4 429 B16R2.11632 CCOCCSc1ccnc2c1cc[nH]2 62a_100000210147_100000766882 [0,0,1,0,0,0|3,0,0]=4 430 B16R2.11632 CCOCCSc1ccnc2c1nc[nH]2 62a_100000210147_100009820729 [0,0,1,0,0,0|2,0,0]=3 431 B16R2.11632 CCOCCSc1ccnc2c1nn[nH]2 62a_100000210147_100009853804 [0,0,1,0,0,0|3,0,0]=4 432 B16R2.11632 CCOCCSc1nccc2c1cc[nH]2 62a_100000210147_100000086534 [0,0,1,0,0,0|3,0,0]=4 433 B16R2.11632 CCOCCSc1nccc2c1nc[nH]2 62a_100000210147_100009820035 [0,0,1,0,0,0|2,0,0]=3 434 B16R2.11632 CCOCCSc1ncnc2c1CCN2 62a_100000210147_200000104052 [0,0,1,0,0,0|2,0,1]=4 435 B16R2.11632 CCOCCSc1ncnc2c1CCN2 62a_200000104052_100011215890 [0,0,1,0,0,0|2,0,1]=4 436 B16R2.11632 CCOCCSc1ncnc2c1[nH]cc2 62a_100000210147_100000084117 [0,0,1,0,0,0|2,0,1]=4 437 B16R2.11632 CCOCCSc1ncnc2c1[nH]cn2 62a_100000210147_100011215200 [0,0,1,0,0,0|1,0,2]=4 438 B16R2.11632 CCOCCSc1ncnc2c1cco2 62a_100000210147_100000094286 [0,0,1,0,0,0|3,0,0]=4 439 B16R2.11632 CCOCCSc1ncnc2c1ccs2 62a_100000210147_100000183654 [0,0,1,0,0,0|3,0,0]=4 440 B16R2.11632 CCOCCSc1ncnc2c1cn[nH]2 62a_100000210147_100000735611 [0,0,1,0,0,0|3,0,0]=4 441 B16R2.11632 CCOCCSc1ncnc2c1ncs2 62a_100000210147_100009860286 [0,0,1,0,0,0|2,0,0]=3 442 B16R2.11632 CCOCCSc1ncnc2c1scc2 62a_100000210147_100000234879 [0,0,1,0,0,0|3,0,0]=4 443 B16R2.11632 CCSCCNc1ccnc2c1nc[nH]2 27a_100000106463_100009820729 [0,0,1,0,0,0|1,1,0]=3 444 B16R2.11632 CCSCCNc1ccnc2c1nn[nH]2 27a_100000106463_100009853804 [0,0,1,0,0,0|2,1,0]=4 445 B16R2.11632 CCSCCNc1ncnc2c1CCN2 27a_100000106463_200000104052 [0,0,1,0,0,0|1,1,1]=4 446 B16R2.11632 CCSCCNc1ncnc2c1[nH]cc2 27a_100000106463_100000084117 [0,0,1,0,0,0|1,1,1]=4 447 B16R2.11632 CCSCCNc1ncnc2c1[nH]cn2 27a_100000106463_100011215200 [0,0,1,0,0,0|0,1,2]=4 448 B16R2.11632 CCSCCNc1ncnc2c1cco2 27a_100000106463_100000094286 [0,0,1,0,0,0|2,1,0]=4 449 B16R2.11632 CCSCCNc1ncnc2c1ccs2 27a_100000106463_100000183654 [0,0,1,0,0,0|2,1,0]=4 450 B16R2.11632 CCSCCNc1ncnc2c1cn[nH]2 27a_100000106463_100000735611 [0,0,1,0,0,0|2,1,0]=4 451 B16R2.11632 CCSCCNc1ncnc2c1ncs2 27a_100000106463_100009860286 [0,0,1,0,0,0|1,1,0]=3 452 B16R2.11632 CCSCCNc1ncnc2c1scc2 27a_100000106463_100000234879 [0,0,1,0,0,0|2,1,0]=4 453 B16R2.11632 CCSCCSc1ccnc2c1nc[nH]2 62a_100000757381_100009820729 [0,0,1,0,0,0|2,1,0]=4 454 B16R2.11632 CCSCCSc1nccc2c1nc[nH]2 62a_100000757381_100009820035 [0,0,1,0,0,0|2,1,0]=4 455 B16R2.11632 CCSCCSc1ncnc2c1ncs2 62a_100000757381_100009860286 [0,0,1,0,0,0|2,1,0]=4 456 B16R2.11632 COCCCNc1ccnc2c1nc[nH]2 27a_100150723488_100009820729 [0,0,1,0,0,0|3,0,0]=4 457 B16R2.11632 COCCCNc1ncnc2c1ncs2 27a_100150723488_100009860286 [0,0,1,0,0,0|3,0,0]=4 458 B16R2.11632 CSCCCNc1ccnc2c1nc[nH]2 27a_100000749238_100009820729 [0,0,1,0,0,0|3,0,0]=4 459 B16R2.11632 CSCCCNc1ncnc2c1ncs2 27a_100000749238_100009860286 [0,0,1,0,0,0|3,0,0]=4 460 B16R2.11632 OCCCCNc1ccnc2c1nc[nH]2 27a_100000750430_100009820729 [0,0,1,0,0,0|3,0,0]=4 461 B16R2.11632 OCCCCNc1ncnc2c1ncs2 27a_100000750430_100009860286 [0,0,1,0,0,0|3,0,0]=4 462 B16R2.13092 C#CCN(CC)c1ccnc2c1nc[nH]2 27a_100000744766_100009820729 [0,0,1,0,0,0|2,0,1]=4 463 B16R2.13092 C#CCN(CC)c1ncnc2c1ncs2 27a_100000744766_100009860286 [0,0,1,0,0,0|2,0,1]=4 464 B16R2.13092 CCCN(CC)c1ccnc2c1nc[nH]2 27a_100000226822_100009820729 [0,0,1,0,0,0|2,0,0]=3 465 B16R2.13092 CCCN(CC)c1ccnc2c1nn[nH]2 27a_100000226822_100009853804 [0,0,1,0,0,0|3,0,0]=4 466 B16R2.13092 CCCN(CC)c1ncnc2c1CCN2 27a_100000226822_200000104052 [0,0,1,0,0,0|2,0,1]=4 467 B16R2.13092 CCCN(CC)c1ncnc2c1[nH]cc2 27a_100000226822_100000084117 [0,0,1,0,0,0|2,0,1]=4 468 B16R2.13092 CCCN(CC)c1ncnc2c1[nH]cn2 27a_100000226822_100011215200 [0,0,1,0,0,0|1,0,2]=4 469 B16R2.13092 CCCN(CC)c1ncnc2c1cco2 27a_100000226822_100000094286 [0,0,1,0,0,0|3,0,0]=4 470 B16R2.13092 CCCN(CC)c1ncnc2c1ccs2 27a_100000226822_100000183654 [0,0,1,0,0,0|3,0,0]=4 471 B16R2.13092 CCCN(CC)c1ncnc2c1cn[nH]2 27a_100000226822_100000735611 [0,0,1,0,0,0|3,0,0]=4 472 B16R2.13092 CCCN(CC)c1ncnc2c1ncs2 27a_100000226822_100009860286 [0,0,1,0,0,0|2,0,0]=3 473 B16R2.13092 CCCN(CC)c1ncnc2c1scc2 27a_100000226822_100000234879 [0,0,1,0,0,0|3,0,0]=4 474 B16R2.13092 CCN(CCO)c1ccnc2c1ccs2 27a_100000210973_100009861243 [0,0,1,0,0,0|3,0,0]=4 475 B16R2.13092 CCN(CCO)c1ccnc2c1nc[nH]2 27a_100000210973_100009820729 [0,0,1,0,0,0|1,0,0]=2 476 B16R2.13092 CCN(CCO)c1ccnc2c1nn[nH]2 27a_100000210973_100009853804 [0,0,1,0,0,0|2,0,0]=3 477 B16R2.13092 CCN(CCO)c1ccnc2c1scc2 27a_100000210973_100000764135 [0,0,1,0,0,0|3,0,0]=4 478 B16R2.13092 CCN(CCO)c1ccnc2n1ncc2 27a_100000210973_100000080991 [0,0,1,0,0,0|3,0,0]=4 479 B16R2.13092 CCN(CCO)c1nc[nH]c-2nccc12 27a_100000210973_100015350423 [0,0,1,0,0,0|1,0,2]=4 480 B16R2.13092 CCN(CCO)c1nccc2c1cco2 27a_100000210973_100000041166 [0,0,1,0,0,0|3,0,0]=4 481 B16R2.13092 CCN(CCO)c1nccc2c1ccs2 27a_100000210973_100000047778 [0,0,1,0,0,0|3,0,0]=4 482 B16R2.13092 CCN(CCO)c1nccc2c1scc2 27a_100000210973_100000117209 [0,0,1,0,0,0|3,0,0]=4 483 B16R2.13092 CCN(CCO)c1nccn2c1ncc2 27a_100000210973_102495338505 [0,0,1,0,0,0|3,0,0]=4 484 B16R2.13092 CCN(CCO)c1nccn2c1ncn2 27a_100000210973_100000094309 [0,0,1,0,0,0|2,0,1]=4 485 B16R2.13092 CCN(CCO)c1ncnc2c1CCC2 27a_100000210973_100000750143 [0,0,1,0,0,0|2,0,1]=4 486 B16R2.13092 CCN(CCO)c1ncnc2c1CCN2 27a_100000210973_200000104052 [0,0,1,0,0,0|1,0,1]=3 487 B16R2.13092 CCN(CCO)c1ncnc2c1[nH]cc2 27a_100000210973_100000084117 [0,0,1,0,0,0|1,0,1]=3 488 B16R2.13092 CCN(CCO)c1ncnc2c1[nH]cn2 27a_100000210973_100011215200 [0,0,1,0,0,0|0,0,2]=3 489 B16R2.13092 CCN(CCO)c1ncnc2c1cco2 27a_100000210973_100000094286 [0,0,1,0,0,0|2,0,0]=3 490 B16R2.13092 CCN(CCO)c1ncnc2c1ccs2 27a_100000210973_100000183654 [0,0,1,0,0,0|2,0,0]=3 491 B16R2.13092 CCN(CCO)c1ncnc2c1cn[nH]2 27a_100000210973_100000735611 [0,0,1,0,0,0|2,0,0]=3 492 B16R2.13092 CCN(CCO)c1ncnc2c1ncs2 27a_100000210973_100009860286 [0,0,1,0,0,0|1,0,0]=2 493 B16R2.13092 CCN(CCO)c1ncnc2c1scc2 27a_100000210973_100000234879 [0,0,1,0,0,0|2,0,0]=3 494 B16R2.13092 CCN(CCO)c1ncnn2c1ccc2 27a_100000210973_100000104113 [0,0,1,0,0,0|3,0,0]=4 495 B18R4.12805 c1cc(c2nc[nH]c2n1)N3CC4CC4C3 27a_100000741873_100009820729 [0,0,0,1,0,0|2,0,0]=3 496 B18R4.12805 c1cc(c2nn[nH]c2n1)N3CC4CC4C3 27a_100000741873_100009853804 [0,0,0,1,0,0|3,0,0]=4 497 B18R4.12805 c1nc(c2[nH]ccc2n1)N3CC4CC4C3 27a_100000741873_100000084117 [0,0,0,1,0,0|2,0,1]=4 498 B18R4.12805 c1nc(c2[nH]cnc2n1)N3CC4CC4C3 27a_100000741873_100011215200 [0,0,0,1,0,0|1,0,2]=4 499 B18R4.12805 c1nc(c2ccoc2n1)N3CC4CC4C3 27a_100000741873_100000094286 [0,0,0,1,0,0|3,0,0]=4 500 B18R4.12805 c1nc(c2ccsc2n1)N3CC4CC4C3 27a_100000741873_100000183654 [0,0,0,1,0,0|3,0,0]=4 501 B18R4.12805 c1nc(c2cn[nH]c2n1)N3CC4CC4C3 27a_100000741873_100000735611 [0,0,0,1,0,0|3,0,0]=4 502 B18R4.12805 c1nc(c2ncsc2n1)N3CC4CC4C3 27a_100000741873_100009860286 [0,0,0,1,0,0|2,0,0]=3 503 B18R4.12805 c1nc(c2sccc2n1)N3CC4CC4C3 27a_100000741873_100000234879 [0,0,0,1,0,0|3,0,0]=4 504 B18R4.12805 c1nc2c(c(n1)N3CC4CC4C3)CCN2 27a_100000741873_200000104052 [0,0,0,1,0,0|2,0,1]=4 505 B16R3.5924 C1=C(CCC1)c2ccnc3c2nc[nH]3 271570a_100000089523_100009820729 [0,0,0,0,1,0|2,0,1]=4 506 B16R3.5924 C1=C(CCC1)c2nccc3c2nc[nH]3 271570a_100000089523_100009820035 [0,0,0,0,1,0|2,0,1]=4 507 B16R3.5924 C1=C(CCC1)c2ncnc3c2ncs3 271570a_100000089523_100009860286 [0,0,0,0,1,0|2,0,1]=4 508 B16R3.5924 C1=C(CCO1)c2ccnc3c2nc[nH]3 271570a_100000118173_100009820729 [0,0,0,0,1,0|2,0,1]=4 509 B16R3.5924 C1=C(CCO1)c2nccc3c2nc[nH]3 271570a_100000118173_100009820035 [0,0,0,0,1,0|2,0,1]=4 510 B16R3.5924 C1=C(CCO1)c2ncnc3c2ncs3 271570a_100000118173_100009860286 [0,0,0,0,1,0|2,0,1]=4 511 B16R3.5924 C1=C(COC1)c2ccnc3c2nc[nH]3 271570a_100009872500_100009820729 [0,0,0,0,1,0|2,0,1]=4 512 B16R3.5924 C1=C(COC1)c2nccc3c2nc[nH]3 271570a_100009872500_100009820035 [0,0,0,0,1,0|2,0,1]=4 513 B16R3.5924 C1=C(COC1)c2ncnc3c2ncs3 271570a_100009872500_100009860286 [0,0,0,0,1,0|2,0,1]=4 514 B16R3.5924 C1=CCN(C1)c2ccnc3c2nc[nH]3 27a_100015195280_100009820729 [0,0,0,0,1,0|1,0,2]=4 515 B16R3.5924 C1=CCN(C1)c2ncnc3c2ncs3 27a_100015195280_100009860286 [0,0,0,0,1,0|1,0,2]=4 516 B16R3.5924 c1cc(c2ccsc2n1)N3CCCC3 27a_100000188435_100009861243 [0,0,0,0,1,0|3,0,0]=4 517 B16R3.5924 c1cc(c2nc[nH]c2n1)N3CCCC3 27a_100000188435_100009820729 [0,0,0,0,1,0|1,0,0]=2 518 B16R3.5924 c1cc(c2nc[nH]c2n1)N3CCSC3 27a_100011215254_100009820729 [0,0,0,0,1,0|1,1,0]=3 519 B16R3.5924 c1cc(c2nn[nH]c2n1)N3CCCC3 27a_100000188435_100009853804 [0,0,0,0,1,0|2,0,0]=3 520 B16R3.5924 c1cc(c2nn[nH]c2n1)N3CCSC3 27a_100011215254_100009853804 [0,0,0,0,1,0|2,1,0]=4 521 B16R3.5924 c1cc(c2sccc2n1)N3CCCC3 27a_100000188435_100000764135 [0,0,0,0,1,0|3,0,0]=4 522 B16R3.5924 c1cc(n2nccc2n1)N3CCCC3 27a_100000188435_100000080991 [0,0,0,0,1,0|3,0,0]=4 523 B16R3.5924 c1cc-2c(nc[nH]c2n1)N3CCCC3 27a_100000188435_100015350423 [0,0,0,0,1,0|1,0,2]=4 524 B16R3.5924 c1cc2c(ncnn2c1)N3CCCC3 27a_100000188435_100000104113 [0,0,0,0,1,0|3,0,0]=4 525 B16R3.5924 c1cc2ccsc2c(n1)N3CCCC3 27a_100000188435_100000117209 [0,0,0,0,1,0|3,0,0]=4 526 B16R3.5924 c1cc2occc2c(n1)N3CCCC3 27a_100000188435_100000041166 [0,0,0,0,1,0|3,0,0]=4 527 B16R3.5924 c1cc2sccc2c(n1)N3CCCC3 27a_100000188435_100000047778 [0,0,0,0,1,0|3,0,0]=4 528 B16R3.5924 c1cn2ccnc2c(n1)N3CCCC3 27a_100000188435_102495338505 [0,0,0,0,1,0|3,0,0]=4 529 B16R3.5924 c1cn2ncnc2c(n1)N3CCCC3 27a_100000188435_100000094309 [0,0,0,0,1,0|2,0,1]=4 530 B16R3.5924 c1nc(c2[nH]ccc2n1)N3CCCC3 27a_100000188435_100000084117 [0,0,0,0,1,0|1,0,1]=3 531 B16R3.5924 c1nc(c2[nH]ccc2n1)N3CCSC3 27a_100011215254_100000084117 [0,0,0,0,1,0|1,1,1]=4 532 B16R3.5924 c1nc(c2[nH]cnc2n1)N3CCCC3 27a_100000188435_100011215200 [0,0,0,0,1,0|0,0,2]=3 533 B16R3.5924 c1nc(c2[nH]cnc2n1)N3CCSC3 27a_100011215254_100011215200 [0,0,0,0,1,0|0,1,2]=4 534 B16R3.5924 c1nc(c2ccoc2n1)N3CCCC3 27a_100000188435_100000094286 [0,0,0,0,1,0|2,0,0]=3 535 B16R3.5924 c1nc(c2ccoc2n1)N3CCSC3 27a_100011215254_100000094286 [0,0,0,0,1,0|2,1,0]=4 536 B16R3.5924 c1nc(c2ccsc2n1)N3CCCC3 27a_100000188435_100000183654 [0,0,0,0,1,0|2,0,0]=3 537 B16R3.5924 c1nc(c2ccsc2n1)N3CCSC3 27a_100011215254_100000183654 [0,0,0,0,1,0|2,1,0]=4 538 B16R3.5924 c1nc(c2cn[nH]c2n1)N3CCCC3 27a_100000188435_100000735611 [0,0,0,0,1,0|2,0,0]=3 539 B16R3.5924 c1nc(c2cn[nH]c2n1)N3CCSC3 27a_100011215254_100000735611 [0,0,0,0,1,0|2,1,0]=4 540 B16R3.5924 c1nc(c2ncsc2n1)N3CCCC3 27a_100000188435_100009860286 [0,0,0,0,1,0|1,0,0]=2 541 B16R3.5924 c1nc(c2ncsc2n1)N3CCSC3 27a_100011215254_100009860286 [0,0,0,0,1,0|1,1,0]=3 542 B16R3.5924 c1nc(c2sccc2n1)N3CCCC3 27a_100000188435_100000234879 [0,0,0,0,1,0|2,0,0]=3 543 B16R3.5924 c1nc(c2sccc2n1)N3CCSC3 27a_100011215254_100000234879 [0,0,0,0,1,0|2,1,0]=4 544 B16R3.5924 c1nc2c(c(n1)N3CCCC3)CCC2 27a_100000188435_100000750143 [0,0,0,0,1,0|2,0,1]=4 545 B16R3.5924 c1nc2c(c(n1)N3CCCC3)CCN2 27a_100000188435_200000104052 [0,0,0,0,1,0|1,0,1]=3 546 B16R3.5924 c1nc2c(c(n1)N3CCSC3)CCN2 27a_100011215254_200000104052 [0,0,0,0,1,0|1,1,1]=4 547 B18R3.2108 C1=CCN(CC1)c2ncnc3c2nccc3 27a_100000698166_100000063688 [0,0,0,0,0,1|2,0,1]=4 548 B18R3.2108 c1cc(c2cncnc2c1)N3CCOCC3 27a_100015191051_100009814520 [0,0,0,0,0,1|2,0,1]=4 549 B18R3.2108 c1cc(c2nccnc2c1)N3CCOCC3 27a_100015191051_100010003881 [0,0,0,0,0,1|2,0,1]=4 550 B18R3.2108 c1cc(c2ncncc2c1)N3CCOCC3 27a_100015191051_100010246313 [0,0,0,0,0,1|2,0,1]=4 551 B18R3.2108 c1cc2c(ncnc2cn1)N3CCOCC3 27a_100015191051_100000098430 [0,0,0,0,0,1|1,0,1]=3 552 B18R3.2108 c1cc2c(ncnc2cn1)N3CCSCC3 27a_100000737611_100000098430 [0,0,0,0,0,1|1,1,1]=4 553 B18R3.2108 c1cc2ccnc(c2cn1)N3CCOCC3 27a_100015191051_100000116921 [0,0,0,0,0,1|2,0,0]=3 554 B18R3.2108 c1cc2ccnc(c2cn1)N3CCSCC3 27a_100000737611_100000116921 [0,0,0,0,0,1|2,1,0]=4 555 B18R3.2108 c1cc2nccc(c2cn1)N3CCOCC3 27a_100015191051_100000095135 [0,0,0,0,0,1|2,0,0]=3 556 B18R3.2108 c1cc2nccc(c2cn1)N3CCSCC3 27a_100000737611_100000095135 [0,0,0,0,0,1|2,1,0]=4 557 B18R3.2108 c1cc2nccnc2c(n1)N3CCOCC3 27a_100015191051_100010063732 [0,0,0,0,0,1|1,0,1]=3 558 B18R3.2108 c1cc2nccnc2c(n1)N3CCSCC3 27a_100000737611_100010063732 [0,0,0,0,0,1|1,1,1]=4 559 B18R3.2108 c1ccc2c(ccnc2c1)N3CCOCC3 27a_100015191051_100011215880 [0,0,0,0,0,1|3,0,0]=4 560 B18R3.2108 c1ccc2c(nccc2c1)N3CCOCC3 27a_100015191051_100011934041 [0,0,0,0,0,1|3,0,0]=4 561 B18R3.2108 c1ccc2c(ncnc2c1)N3CCOCC3 27a_100015191051_100000217608 [0,0,0,0,0,1|2,0,0]=3 562 B18R3.2108 c1ccc2c(ncnc2c1)N3CCSCC3 27a_100000737611_100000217608 [0,0,0,0,0,1|2,1,0]=4 563 B18R3.2108 c1cnc2c(ccnc2n1)N3CCOCC3 27a_100015191051_100010783457 [0,0,0,0,0,1|1,0,1]=3 564 B18R3.2108 c1cnc2c(ccnc2n1)N3CCSCC3 27a_100000737611_100010783457 [0,0,0,0,0,1|1,1,1]=4 565 B18R3.2108 c1cnc2c(nccc2c1)N3CCOCC3 27a_100015191051_100010063729 [0,0,0,0,0,1|2,0,0]=3 566 B18R3.2108 c1cnc2c(nccc2c1)N3CCSCC3 27a_100000737611_100010063729 [0,0,0,0,0,1|2,1,0]=4 567 B18R3.2108 c1cnc2c(ncnc2c1)N3CCOCC3 27a_100015191051_100000063688 [0,0,0,0,0,1|1,0,0]=2 568 B18R3.2108 c1cnc2c(ncnc2c1)N3CCSCC3 27a_100000737611_100000063688 [0,0,0,0,0,1|1,1,0]=3 569 B18R3.2108 c1cnc2ccnc(c2c1)N3CCOCC3 27a_100015191051_100000077681 [0,0,0,0,0,1|2,0,1]=4 570 B18R3.2108 c1cnc2nccc(c2c1)N3CCOCC3 27a_100015191051_100000087570 [0,0,0,0,0,1|2,0,1]=4 571 B18R3.2108 c1cnc2ncnc(c2c1)N3CCOCC3 27a_100015191051_100000026734 [0,0,0,0,0,1|1,0,1]=3 572 B18R3.2108 c1cnc2ncnc(c2c1)N3CCSCC3 27a_100000737611_100000026734 [0,0,0,0,0,1|1,1,1]=4 573 B18R3.2108 c1nc2c(c(n1)N3CCOCC3)CCCC2 27a_100015191051_100011467579 [0,0,0,0,0,1|2,0,1]=4 574 B18R3.2115 c1cc(c2nc[nH]c2n1)NC3CCCCC3 27a_100000182618_100009820729 [0,0,0,0,0,1|3,0,0]=4 575 B18R3.2115 c1cc(c2nc[nH]c2n1)NC3CCOCC3 27a_100000741149_100009820729 [0,0,0,0,0,1|2,0,0]=3 576 B18R3.2115 c1cc(c2nc[nH]c2n1)NC3CCSCC3 27a_100000748639_100009820729 [0,0,0,0,0,1|2,1,0]=4 577 B18R3.2115 c1cc(c2nc[nH]c2n1)SC3CCCCC3 62a_100000210327_100009820729 [0,0,0,0,0,1|3,0,0]=4 578 B18R3.2115 c1cc(c2ncsc2c1)CN3CCOCC3 2230a_100015191051_100010883896 [0,0,0,0,0,1|3,0,0]=4 579 B18R3.2115 c1cc(c2ncsc2c1)CN3CCOCC3 269982a_100015191051_100010883896 [0,0,0,0,0,1|3,0,0]=4 580 B18R3.2115 c1cc(c2ncsc2c1)CN3CCOCC3 34a_100015191051_100010883896 [0,0,0,0,0,1|3,0,0]=4 581 B18R3.2115 c1cc(c2nn[nH]c2n1)NC3CCOCC3 27a_100000741149_100009853804 [0,0,0,0,0,1|3,0,0]=4 582 B18R3.2115 c1cc2[nH]cnc2c(n1)SC3CCCCC3 62a_100000210327_100009820035 [0,0,0,0,0,1|3,0,0]=4 583 B18R3.2115 c1nc(c2[nH]ccc2n1)NC3CCOCC3 27a_100000741149_100000084117 [0,0,0,0,0,1|2,0,1]=4 584 B18R3.2115 c1nc(c2[nH]cnc2n1)NC3CCOCC3 27a_100000741149_100011215200 [0,0,0,0,0,1|1,0,2]=4 585 B18R3.2115 c1nc(c2ccoc2n1)NC3CCOCC3 27a_100000741149_100000094286 [0,0,0,0,0,1|3,0,0]=4 586 B18R3.2115 c1nc(c2ccsc2n1)NC3CCOCC3 27a_100000741149_100000183654 [0,0,0,0,0,1|3,0,0]=4 587 B18R3.2115 c1nc(c2cn[nH]c2n1)NC3CCOCC3 27a_100000741149_100000735611 [0,0,0,0,0,1|3,0,0]=4 588 B18R3.2115 c1nc(c2ncsc2n1)NC3CCCCC3 27a_100000182618_100009860286 [0,0,0,0,0,1|3,0,0]=4 589 B18R3.2115 c1nc(c2ncsc2n1)NC3CCOCC3 27a_100000741149_100009860286 [0,0,0,0,0,1|2,0,0]=3 590 B18R3.2115 c1nc(c2ncsc2n1)NC3CCSCC3 27a_100000748639_100009860286 [0,0,0,0,0,1|2,1,0]=4 591 B18R3.2115 c1nc(c2ncsc2n1)SC3CCCCC3 62a_100000210327_100009860286 [0,0,0,0,0,1|3,0,0]=4 592 B18R3.2115 c1nc(c2sccc2n1)NC3CCOCC3 27a_100000741149_100000234879 [0,0,0,0,0,1|3,0,0]=4 593 B18R3.2115 c1nc2c(c(n1)NC3CCOCC3)CCN2 27a_100000741149_200000104052 [0,0,0,0,0,1|2,0,1]=4 594 B18R3.2115 c1nc2c(c(n1)SC3CCOCC3)CCN2 62a_200000104052_100011324220 [0,0,0,0,0,1|2,0,1]=4 595 B18R3.1440748 C1=C(CCCCC1)c2ccnc3c2nc[nH]3 271570a_200009888920_100009820729 [0,0,0,0,0,1|3,0,0]=4 596 B18R3.1440748 C1=C(CCCCC1)c2nccc3c2nc[nH]3 271570a_200009888920_100009820035 [0,0,0,0,0,1|3,0,0]=4 597 B18R3.1440748 C1=C(CCCCC1)c2ncnc3c2ncs3 271570a_200009888920_100009860286 [0,0,0,0,0,1|3,0,0]=4 598 B18R3.1440748 c1cc(c2ccsc2n1)N3CCCOCC3 27a_100000685342_100009861243 [0,0,0,0,0,1|3,0,0]=4 599 B18R3.1440748 c1cc(c2nc[nH]c2n1)N3CCCCCC3 27a_100000185865_100009820729 [0,0,0,0,0,1|2,0,0]=3 600 B18R3.1440748 c1cc(c2nc[nH]c2n1)N3CCCOCC3 27a_100000685342_100009820729 [0,0,0,0,0,1|1,0,0]=2 601 B18R3.1440748 c1cc(c2nn[nH]c2n1)N3CCCCCC3 27a_100000185865_100009853804 [0,0,0,0,0,1|3,0,0]=4 602 B18R3.1440748 c1cc(c2nn[nH]c2n1)N3CCCOCC3 27a_100000685342_100009853804 [0,0,0,0,0,1|2,0,0]=3 603 B18R3.1440748 c1cc(c2sccc2n1)N3CCCOCC3 27a_100000685342_100000764135 [0,0,0,0,0,1|3,0,0]=4 604 B18R3.1440748 c1cc(n2nccc2n1)N3CCCOCC3 27a_100000685342_100000080991 [0,0,0,0,0,1|3,0,0]=4 605 B18R3.1440748 c1cc-2c(nc[nH]c2n1)N3CCCOCC3 27a_100000685342_100015350423 [0,0,0,0,0,1|1,0,2]=4 606 B18R3.1440748 c1cc2c(ncnn2c1)N3CCCOCC3 27a_100000685342_100000104113 [0,0,0,0,0,1|3,0,0]=4 607 B18R3.1440748 c1cc2ccsc2c(n1)N3CCCOCC3 27a_100000685342_100000117209 [0,0,0,0,0,1|3,0,0]=4 608 B18R3.1440748 c1cc2occc2c(n1)N3CCCOCC3 27a_100000685342_100000041166 [0,0,0,0,0,1|3,0,0]=4 609 B18R3.1440748 c1cc2sccc2c(n1)N3CCCOCC3 27a_100000685342_100000047778 [0,0,0,0,0,1|3,0,0]=4 610 B18R3.1440748 c1cn2ccnc2c(n1)N3CCCOCC3 27a_100000685342_102495338505 [0,0,0,0,0,1|3,0,0]=4 611 B18R3.1440748 c1cn2ncnc2c(n1)N3CCCOCC3 27a_100000685342_100000094309 [0,0,0,0,0,1|2,0,1]=4 612 B18R3.1440748 c1nc(c2[nH]ccc2n1)N3CCCCCC3 27a_100000185865_100000084117 [0,0,0,0,0,1|2,0,1]=4 613 B18R3.1440748 c1nc(c2[nH]ccc2n1)N3CCCOCC3 27a_100000685342_100000084117 [0,0,0,0,0,1|1,0,1]=3 614 B18R3.1440748 c1nc(c2[nH]cnc2n1)N3CCCCCC3 27a_100000185865_100011215200 [0,0,0,0,0,1|1,0,2]=4 615 B18R3.1440748 c1nc(c2[nH]cnc2n1)N3CCCOCC3 27a_100000685342_100011215200 [0,0,0,0,0,1|0,0,2]=3 616 B18R3.1440748 c1nc(c2ccoc2n1)N3CCCCCC3 27a_100000185865_100000094286 [0,0,0,0,0,1|3,0,0]=4 617 B18R3.1440748 c1nc(c2ccoc2n1)N3CCCOCC3 27a_100000685342_100000094286 [0,0,0,0,0,1|2,0,0]=3 618 B18R3.1440748 c1nc(c2ccsc2n1)N3CCCCCC3 27a_100000185865_100000183654 [0,0,0,0,0,1|3,0,0]=4 619 B18R3.1440748 c1nc(c2ccsc2n1)N3CCCOCC3 27a_100000685342_100000183654 [0,0,0,0,0,1|2,0,0]=3 620 B18R3.1440748 c1nc(c2cn[nH]c2n1)N3CCCCCC3 27a_100000185865_100000735611 [0,0,0,0,0,1|3,0,0]=4 621 B18R3.1440748 c1nc(c2cn[nH]c2n1)N3CCCOCC3 27a_100000685342_100000735611 [0,0,0,0,0,1|2,0,0]=3 622 B18R3.1440748 c1nc(c2ncsc2n1)N3CCCCCC3 27a_100000185865_100009860286 [0,0,0,0,0,1|2,0,0]=3 623 B18R3.1440748 c1nc(c2ncsc2n1)N3CCCOCC3 27a_100000685342_100009860286 [0,0,0,0,0,1|1,0,0]=2 624 B18R3.1440748 c1nc(c2sccc2n1)N3CCCCCC3 27a_100000185865_100000234879 [0,0,0,0,0,1|3,0,0]=4 625 B18R3.1440748 c1nc(c2sccc2n1)N3CCCOCC3 27a_100000685342_100000234879 [0,0,0,0,0,1|2,0,0]=3 626 B18R3.1440748 c1nc2c(c(n1)N3CCCCCC3)CCN2 27a_100000185865_200000104052 [0,0,0,0,0,1|2,0,1]=4 627 B18R3.1440748 c1nc2c(c(n1)N3CCCOCC3)CCC2 27a_100000685342_100000750143 [0,0,0,0,0,1|2,0,1]=4 628 B18R3.1440748 c1nc2c(c(n1)N3CCCOCC3)CCN2 27a_100000685342_200000104052 [0,0,0,0,0,1|1,0,1]=3 629 B15R2.17 C=Cc1cc(ccn1)N2CCOCC2 271570a_100011290941_100000766658 [1,0,1,0,0,0|2,0,0]=4 630 B15R2.17 C=Cc1cc(ncn1)N2CCCCC2 271570a_100011290941_100000242479 [1,0,1,0,0,0|2,0,0]=4 631 B15R2.17 C=Cc1cc(ncn1)N2CCNCC2 271570a_100011290941_100000757499 [1,0,1,0,0,0|2,0,0]=4 632 B15R2.17 C=Cc1cc(ncn1)N2CCOCC2 271570a_100011290941_100000242505 [1,0,1,0,0,0|1,0,0]=3 633 B15R2.17 C=Cc1ccnc(c1)N2CCOCC2 271570a_100011290941_100000732431 [1,0,1,0,0,0|2,0,0]=4 634 B15R2.17 CCc1cc(ncn1)N2CCOCC2 27a_100015191051_100000744278 [1,0,1,0,0,0|1,0,1]=4 635 B15R2.17 CNc1cc(ncn1)N2CCCCC2 27a_100102657272_100000242479 [1,0,1,0,0,0|1,0,1]=4 636 B15R2.17 CNc1cc(ncn1)N2CCNCC2 27a_100102657272_100000757499 [1,0,1,0,0,0|1,0,1]=4 637 B15R2.17 CNc1cc(ncn1)N2CCOCC2 27a_100015191051_100000756605 [1,0,1,0,0,0|0,0,1]=3 638 B15R2.17 CNc1cc(ncn1)N2CCOCC2 27a_100102657272_100000242505 [1,0,1,0,0,0|0,0,1]=3 639 B15R2.17 CNc1cc(ncn1)N2CCSCC2 27a_100000737611_100000756605 [1,0,1,0,0,0|0,1,1]=4 640 B15R2.17 COc1cc(ncn1)N2CCOCC2 27a_100015191051_100000049997 [1,0,1,0,0,0|1,0,1]=4 641 B15R2.17 CSc1cc(ncn1)N2CCOCC2 27a_100015191051_100011443430 [1,0,1,0,0,0|1,0,1]=4 642 B15R2.17 CSc1cc(ncn1)N2CCOCC2 62a_100000242505_200000210301 [1,0,1,0,0,0|1,0,1]=4 643 B15R2.17 CSc1cc(ncn1)N2CCOCC2 62a_200000210301_100000242505 [1,0,1,0,0,0|1,0,1]=4 644 B15R2.17 N#Cc1cc(ncn1)N2CCOCC2 27a_100015191051_100000092509 [1,0,1,0,0,0|0,0,2]=4 645 B15R2.17 NNc1cc(ncn1)N2CCOCC2 27a_100015191051_100000242035 [1,0,1,0,0,0|0,0,1]=3 646 B15R2.17 NNc1cc(ncn1)N2CCSCC2 27a_100000737611_100000242035 [1,0,1,0,0,0|0,1,1]=4 647 B15R2.17 OCc1cc(ncn1)N2CCOCC2 27a_100015191051_100000731546 [1,0,1,0,0,0|1,0,1]=4 648 B15R2.17 [13CH3]Sc1cc(ncn1)N2CCOCC2 62a_100000242505_200025704644 [1,0,1,0,0,0|1,0,1]=4 649 B15R2.17 [13CH3]Sc1cc(ncn1)N2CCOCC2 62a_200025704644_100000242505 [1,0,1,0,0,0|1,0,1]=4 650 B15R2.32 Cc1c(ncnc1N2CCOCC2)N 27a_100015191051_100011913465 [1,0,1,0,0,0|0,0,1]=3 651 B15R2.32 Cc1c(ncnc1N2CCOCC2)O 27a_100015191051_100011912821 [1,0,1,0,0,0|1,0,1]=4 652 B15R2.32 Cc1c(ncnc1N2CCSCC2)N 27a_100000737611_100011913465 [1,0,1,0,0,0|0,1,1]=4 653 B15R2.32 Cc1ncnc(c1C)N2CCOCC2 27a_100015191051_100011438038 [1,0,1,0,0,0|1,0,1]=4 654 B15R2.32 Cc1ncnc(c1F)N2CCOCC2 27a_100015191051_100011671633 [1,0,1,0,0,0|1,0,1]=4 655 B15R2.32 Nc1ncnc(c1F)N2CCOCC2 27a_100015191051_100000126652 [1,0,1,0,0,0|1,0,0]=3 656 B15R2.32 Nc1ncnc(c1F)N2CCSCC2 27a_100000737611_100000126652 [1,0,1,0,0,0|1,1,0]=4 657 B15R2.21 C=Cc1cccnc1N2CCOCC2 271570a_100011290941_200011465045 [1,0,1,0,0,0|2,0,0]=4 658 B15R2.21 CCc1cncnc1N2CCOCC2 27a_100015191051_200000100055 [1,0,1,0,0,0|1,0,1]=4 659 B15R2.21 COc1cncnc1N2CCOCC2 27a_100015191051_100012001275 [1,0,1,0,0,0|1,0,1]=4 660 B15R2.21 N#Cc1cncnc1N2CCOCC2 27a_100015191051_100000687955 [1,0,1,0,0,0|0,0,2]=4 661 B15R2.4278 CCCCNc1ccnc2c1nc[nH]2 27a_100000102301_100009820729 [1,0,1,0,0,0|1,0,0]=3 662 B15R2.4278 CCCCNc1ccnc2c1nn[nH]2 27a_100000102301_100009853804 [1,0,1,0,0,0|2,0,0]=4 663 B15R2.4278 CCCCNc1ncnc2c1CCN2 27a_100000102301_200000104052 [1,0,1,0,0,0|1,0,1]=4 664 B15R2.4278 CCCCNc1ncnc2c1[nH]cc2 27a_100000102301_100000084117 [1,0,1,0,0,0|1,0,1]=4 665 B15R2.4278 CCCCNc1ncnc2c1[nH]cn2 27a_100000102301_100011215200 [1,0,1,0,0,0|0,0,2]=4 666 B15R2.4278 CCCCNc1ncnc2c1cco2 27a_100000102301_100000094286 [1,0,1,0,0,0|2,0,0]=4 667 B15R2.4278 CCCCNc1ncnc2c1ccs2 27a_100000102301_100000183654 [1,0,1,0,0,0|2,0,0]=4 668 B15R2.4278 CCCCNc1ncnc2c1cn[nH]2 27a_100000102301_100000735611 [1,0,1,0,0,0|2,0,0]=4 669 B15R2.4278 CCCCNc1ncnc2c1ncs2 27a_100000102301_100009860286 [1,0,1,0,0,0|1,0,0]=3 670 B15R2.4278 CCCCNc1ncnc2c1scc2 27a_100000102301_100000234879 [1,0,1,0,0,0|2,0,0]=4 671 B15R2.4278 CCCCSc1ccnc2c1nc[nH]2 62a_100000210211_100009820729 [1,0,1,0,0,0|2,0,0]=4 672 B15R2.4278 CCCCSc1nccc2c1nc[nH]2 62a_100000210211_100009820035 [1,0,1,0,0,0|2,0,0]=4 673 B15R2.4278 CCCCSc1ncnc2c1ncs2 62a_100000210211_100009860286 [1,0,1,0,0,0|2,0,0]=4 674 B15R2.4278 CCOCSc1ccnc2c1nc[nH]2 62a_100000739092_100009820729 [1,0,1,0,0,0|2,0,0]=4 675 B15R2.4278 CCOCSc1nccc2c1nc[nH]2 62a_100000739092_100009820035 [1,0,1,0,0,0|2,0,0]=4 676 B15R2.4278 CCOCSc1ncnc2c1ncs2 62a_100000739092_100009860286 [1,0,1,0,0,0|2,0,0]=4 677 B15R2.4278 COCCNc1ccnc2c1nc[nH]2 27a_100000209980_100009820729 [1,0,1,0,0,0|1,0,0]=3 678 B15R2.4278 COCCNc1ccnc2c1nn[nH]2 27a_100000209980_100009853804 [1,0,1,0,0,0|2,0,0]=4 679 B15R2.4278 COCCNc1ncnc2c1CCN2 27a_100000209980_200000104052 [1,0,1,0,0,0|1,0,1]=4 680 B15R2.4278 COCCNc1ncnc2c1[nH]cc2 27a_100000209980_100000084117 [1,0,1,0,0,0|1,0,1]=4 681 B15R2.4278 COCCNc1ncnc2c1[nH]cn2 27a_100000209980_100011215200 [1,0,1,0,0,0|0,0,2]=4 682 B15R2.4278 COCCNc1ncnc2c1cco2 27a_100000209980_100000094286 [1,0,1,0,0,0|2,0,0]=4 683 B15R2.4278 COCCNc1ncnc2c1ccs2 27a_100000209980_100000183654 [1,0,1,0,0,0|2,0,0]=4 684 B15R2.4278 COCCNc1ncnc2c1cn[nH]2 27a_100000209980_100000735611 [1,0,1,0,0,0|2,0,0]=4 685 B15R2.4278 COCCNc1ncnc2c1ncs2 27a_100000209980_100009860286 [1,0,1,0,0,0|1,0,0]=3 686 B15R2.4278 COCCNc1ncnc2c1scc2 27a_100000209980_100000234879 [1,0,1,0,0,0|2,0,0]=4 687 B15R2.4278 COCCSc1ccnc2c1nc[nH]2 62a_100000233755_100009820729 [1,0,1,0,0,0|2,0,0]=4 688 B15R2.4278 COCCSc1nccc2c1nc[nH]2 62a_100000233755_100009820035 [1,0,1,0,0,0|2,0,0]=4 689 B15R2.4278 COCCSc1ncnc2c1ncs2 62a_100000233755_100009860286 [1,0,1,0,0,0|2,0,0]=4 690 B15R2.4278 CSCCNc1ccnc2c1nc[nH]2 27a_100020590264_100009820729 [1,0,1,0,0,0|1,1,0]=4 691 B15R2.4278 CSCCNc1ncnc2c1ncs2 27a_100020590264_100009860286 [1,0,1,0,0,0|1,1,0]=4 692 B15R2.4278 FCCCNc1ccnc2c1nc[nH]2 27a_100015189416_100009820729 [1,0,1,0,0,0|2,0,0]=4 693 B15R2.4278 FCCCNc1ncnc2c1ncs2 27a_100015189416_100009860286 [1,0,1,0,0,0|2,0,0]=4 694 B15R2.4278 OCCCNc1ccnc2c1nc[nH]2 27a_100000182051_100009820729 [1,0,1,0,0,0|2,0,0]=4 695 B15R2.4278 OCCCNc1ncnc2c1ncs2 27a_100000182051_100009860286 [1,0,1,0,0,0|2,0,0]=4 696 B15R2.17340 CCCN(C)c1ccnc2c1nc[nH]2 27a_100000747261_100009820729 [1,0,1,0,0,0|1,0,0]=3 697 B15R2.17340 CCCN(C)c1ccnc2c1nn[nH]2 27a_100000747261_100009853804 [1,0,1,0,0,0|2,0,0]=4 698 B15R2.17340 CCCN(C)c1ncnc2c1CCN2 27a_100000747261_200000104052 [1,0,1,0,0,0|1,0,1]=4 699 B15R2.17340 CCCN(C)c1ncnc2c1[nH]cc2 27a_100000747261_100000084117 [1,0,1,0,0,0|1,0,1]=4 700 B15R2.17340 CCCN(C)c1ncnc2c1[nH]cn2 27a_100000747261_100011215200 [1,0,1,0,0,0|0,0,2]=4 701 B15R2.17340 CCCN(C)c1ncnc2c1cco2 27a_100000747261_100000094286 [1,0,1,0,0,0|2,0,0]=4 702 B15R2.17340 CCCN(C)c1ncnc2c1ccs2 27a_100000747261_100000183654 [1,0,1,0,0,0|2,0,0]=4 703 B15R2.17340 CCCN(C)c1ncnc2c1cn[nH]2 27a_100000747261_100000735611 [1,0,1,0,0,0|2,0,0]=4 704 B15R2.17340 CCCN(C)c1ncnc2c1ncs2 27a_100000747261_100009860286 [1,0,1,0,0,0|1,0,0]=3 705 B15R2.17340 CCCN(C)c1ncnc2c1scc2 27a_100000747261_100000234879 [1,0,1,0,0,0|2,0,0]=4 706 B15R2.17340 CN(CCO)c1ccnc2c1nc[nH]2 27a_100000210263_100009820729 [1,0,1,0,0,0|1,0,0]=3 707 B15R2.17340 CN(CCO)c1ccnc2c1nn[nH]2 27a_100000210263_100009853804 [1,0,1,0,0,0|2,0,0]=4 708 B15R2.17340 CN(CCO)c1ncnc2c1CCN2 27a_100000210263_200000104052 [1,0,1,0,0,0|1,0,1]=4 709 B15R2.17340 CN(CCO)c1ncnc2c1[nH]cc2 27a_100000210263_100000084117 [1,0,1,0,0,0|1,0,1]=4 710 B15R2.17340 CN(CCO)c1ncnc2c1[nH]cn2 27a_100000210263_100011215200 [1,0,1,0,0,0|0,0,2]=4 711 B15R2.17340 CN(CCO)c1ncnc2c1cco2 27a_100000210263_100000094286 [1,0,1,0,0,0|2,0,0]=4 712 B15R2.17340 CN(CCO)c1ncnc2c1ccs2 27a_100000210263_100000183654 [1,0,1,0,0,0|2,0,0]=4 713 B15R2.17340 CN(CCO)c1ncnc2c1cn[nH]2 27a_100000210263_100000735611 [1,0,1,0,0,0|2,0,0]=4 714 B15R2.17340 CN(CCO)c1ncnc2c1ncs2 27a_100000210263_100009860286 [1,0,1,0,0,0|1,0,0]=3 715 B15R2.17340 CN(CCO)c1ncnc2c1scc2 27a_100000210263_100000234879 [1,0,1,0,0,0|2,0,0]=4 716 B15R2.15972 CCN(CC)c1ccnc2c1nc[nH]2 27a_100000724800_100009820729 [1,0,1,0,0,0|1,0,0]=3 717 B15R2.15972 CCN(CC)c1ccnc2c1nn[nH]2 27a_100000724800_100009853804 [1,0,1,0,0,0|2,0,0]=4 718 B15R2.15972 CCN(CC)c1ncnc2c1CCN2 27a_100000724800_200000104052 [1,0,1,0,0,0|1,0,1]=4 719 B15R2.15972 CCN(CC)c1ncnc2c1[nH]cc2 27a_100000724800_100000084117 [1,0,1,0,0,0|1,0,1]=4 720 B15R2.15972 CCN(CC)c1ncnc2c1[nH]cn2 27a_100000724800_100011215200 [1,0,1,0,0,0|0,0,2]=4 721 B15R2.15972 CCN(CC)c1ncnc2c1cco2 27a_100000724800_100000094286 [1,0,1,0,0,0|2,0,0]=4 722 B15R2.15972 CCN(CC)c1ncnc2c1ccs2 27a_100000724800_100000183654 [1,0,1,0,0,0|2,0,0]=4 723 B15R2.15972 CCN(CC)c1ncnc2c1cn[nH]2 27a_100000724800_100000735611 [1,0,1,0,0,0|2,0,0]=4 724 B15R2.15972 CCN(CC)c1ncnc2c1ncs2 27a_100000724800_100009860286 [1,0,1,0,0,0|1,0,0]=3 725 B15R2.15972 CCN(CC)c1ncnc2c1scc2 27a_100000724800_100000234879 [1,0,1,0,0,0|2,0,0]=4 726 B17R2.25 CNc1ncnc(c1C)N2CCOC(C2)C 27a_100000729577_200011913118 [0,1,1,0,0,0|1,0,1]=4 727 B17R2.1794 CNc1ncnc(c1C=O)N2CCOCC2 27a_100015191051_200012279091 [0,1,1,0,0,0|1,0,1]=4 728 B17R2.2685 CNc1ncnc(c1C)N2CCOC[C@@H]2C 27a_100009815349_200011913118 [0,1,1,0,0,0|1,0,1]=4 729 B17R2.24238 CN(C)c1ncnc(c1N)N2CCOCC2 27a_100015191051_200000684581 [0,1,1,0,0,0|0,0,2]=4 730 B17R2.150 CC=Cc1cc(nc(n1)C)N2CCOCC2 271570a_100016259895_100011686408 [0,1,1,0,0,0|2,0,0]=4 731 B17R2.150 CC=Cc1cc(nc(n1)N)N2CCOCC2 271570a_100016259895_100011210046 [0,1,1,0,0,0|2,0,0]=4 732 B17R2.150 CCNc1cc(nc(n1)C)N2CCOCC2 27a_100015525214_100011686408 [0,1,1,0,0,0|1,0,1]=4 733 B17R2.153 CCNc1cc(ncn1)N2CCOC(C2)C 27a_100000729577_200000242512 [0,1,1,0,0,0|1,0,1]=4 734 B17R2.227 CCN(C)c1cc(ncn1)N2CCOCC2 27a_100015191051_200011443306 [0,1,1,0,0,0|1,0,1]=4 735 B17R2.238 C#CCNc1cc(ncn1)N2CCOCC2 27a_100000212058_100000242505 [0,1,1,0,0,0|1,0,1]=4 736 B17R2.238 C=CCNc1cc(ncn1)N2CCCCC2 27a_100020586998_100000242479 [0,1,1,0,0,0|2,0,0]=4 737 B17R2.238 C=CCNc1cc(ncn1)N2CCNCC2 27a_100020586998_100000757499 [0,1,1,0,0,0|2,0,0]=4 738 B17R2.238 C=CCNc1cc(ncn1)N2CCOCC2 27a_100020586998_100000242505 [0,1,1,0,0,0|1,0,0]=3 739 B17R2.238 C=CCSc1cc(ncn1)N2CCOCC2 62a_100000210623_100000242505 [0,1,1,0,0,0|2,0,0]=4 740 B17R2.238 C=CCSc1cc(ncn1)N2CCOCC2 62a_100000242505_100000210623 [0,1,1,0,0,0|2,0,0]=4 741 B17R2.238 CC=NNc1cc(ncn1)N2CCOCC2 4a_100012020525_200000210099 [0,1,1,0,0,0|1,0,0]=3 742 B17R2.238 CCCNc1cc(ncn1)N2CCOCC2 27a_100015191051_100011443280 [0,1,1,0,0,0|1,0,1]=4 743 B17R2.238 O=CCSc1cc(ncn1)N2CCOCC2 62a_100000242505_200015260668 [0,1,1,0,0,0|2,0,0]=4 744 B17R2.238 O=CCSc1cc(ncn1)N2CCOCC2 62a_200015260668_100000242505 [0,1,1,0,0,0|2,0,0]=4 745 B17R2.238 OCCNc1cc(ncn1)N2CCOCC2 27a_100000210304_100000242505 [0,1,1,0,0,0|1,0,1]=4 746 B17R2.238 OCCNc1cc(ncn1)N2CCOCC2 27a_100015191051_200011443279 [0,1,1,0,0,0|1,0,1]=4 747 B17R2.247 CC(=Cc1cc(ncn1)N2CCOCC2)C 271570a_100102525489_100000242505 [0,1,1,0,0,0|2,0,0]=4 748 B17R2.247 CC(C)Nc1cc(ncn1)N2CCOCC2 27a_100015191051_200011443281 [0,1,1,0,0,0|1,0,1]=4 749 B17R2.247 CC(C)Nc1cc(ncn1)N2CCOCC2 27a_100138425928_100000242505 [0,1,1,0,0,0|1,0,1]=4 750 B17R2.5851 CCNc1cc(ncn1)N2CCOC[C@@H]2C 27a_100009815349_200000242512 [0,1,1,0,0,0|1,0,1]=4 751 B17R2.13776 COc1c(ncnc1N2CCOC[C@@H]2C)N 27a_100009815349_100011998528 [0,1,1,0,0,0|1,0,1]=4 752 B17R2.13776 C[C@H]1COCCN1c2ncnc(c2C#N)N 27a_100009815349_100000086035 [0,1,1,0,0,0|2,0,0]=4 753 B17R2.15081 CC1CN(CCO1)c2ncnc(c2C#N)N 27a_100000729577_100000086035 [0,1,1,0,0,0|2,0,0]=4 754 B17R2.15081 COc1c(ncnc1N2CCOC(C2)C)N 27a_100000729577_100011998528 [0,1,1,0,0,0|1,0,1]=4 755 B17R2.17866 N#Cc1c(nc(nc1N2CCOCC2)N)N 27a_100015191051_100010978646 [0,1,1,0,0,0|2,0,0]=4 756 B17R2.8178 CCCCCN(C)c1ccnc2c1nc[nH]2 27a_100000223495_100009820729 [0,1,1,0,0,0|2,0,0]=4 757 B17R2.8178 CCCCCN(C)c1ncnc2c1ncs2 27a_100000223495_100009860286 [0,1,1,0,0,0|2,0,0]=4 758 B17R2.8178 CN(CCCCO)c1ccnc2c1nc[nH]2 27a_100000717598_100009820729 [0,1,1,0,0,0|2,0,0]=4 759 B17R2.8178 CN(CCCCO)c1ncnc2c1ncs2 27a_100000717598_100009860286 [0,1,1,0,0,0|2,0,0]=4 760 B17R2.8178 COCCCN(C)c1ccnc2c1nc[nH]2 27a_100000224831_100009820729 [0,1,1,0,0,0|1,0,0]=3 761 B17R2.8178 COCCCN(C)c1ccnc2c1nn[nH]2 27a_100000224831_100009853804 [0,1,1,0,0,0|2,0,0]=4 762 B17R2.8178 COCCCN(C)c1ncnc2c1CCN2 27a_100000224831_200000104052 [0,1,1,0,0,0|1,0,1]=4 763 B17R2.8178 COCCCN(C)c1ncnc2c1[nH]cc2 27a_100000224831_100000084117 [0,1,1,0,0,0|1,0,1]=4 764 B17R2.8178 COCCCN(C)c1ncnc2c1[nH]cn2 27a_100000224831_100011215200 [0,1,1,0,0,0|0,0,2]=4 765 B17R2.8178 COCCCN(C)c1ncnc2c1cco2 27a_100000224831_100000094286 [0,1,1,0,0,0|2,0,0]=4 766 B17R2.8178 COCCCN(C)c1ncnc2c1ccs2 27a_100000224831_100000183654 [0,1,1,0,0,0|2,0,0]=4 767 B17R2.8178 COCCCN(C)c1ncnc2c1cn[nH]2 27a_100000224831_100000735611 [0,1,1,0,0,0|2,0,0]=4 768 B17R2.8178 COCCCN(C)c1ncnc2c1ncs2 27a_100000224831_100009860286 [0,1,1,0,0,0|1,0,0]=3 769 B17R2.8178 COCCCN(C)c1ncnc2c1scc2 27a_100000224831_100000234879 [0,1,1,0,0,0|2,0,0]=4 770 B17R2.49228 CCC(C)CN(C)c1ccnc2c1nc[nH]2 27a_100000753921_100009820729 [0,1,1,0,0,0|2,0,0]=4 771 B17R2.49228 CCC(C)CN(C)c1ncnc2c1ncs2 27a_100000753921_100009860286 [0,1,1,0,0,0|2,0,0]=4 772 B17R2.49228 COC(=O)CN(C)c1ccnc2c1nc[nH]2 27a_100000198492_100009820729 [0,1,1,0,0,0|1,0,1]=4 773 B17R2.49228 COC(=O)CN(C)c1ncnc2c1ncs2 27a_100000198492_100009860286 [0,1,1,0,0,0|1,0,1]=4 774 B17R2.74638 C=CCCN(C)c1ncnc2c1ncn2C 27a_100020639649_100000058137 [0,1,1,0,0,0|1,0,1]=4 775 B17R2.74638 CCCCN(C)c1nccc2c1ncn2C 27a_100000207549_100000075535 [0,1,1,0,0,0|2,0,0]=4 776 B17R2.74638 CCCCN(C)c1ncnc2c1ccn2C 27a_100000207549_100000076352 [0,1,1,0,0,0|2,0,0]=4 777 B17R2.74638 CCCCN(C)c1ncnc2c1ncn2C 27a_100000207549_100000058137 [0,1,1,0,0,0|1,0,0]=3 778 B17R2.74638 CN(CCC#N)c1ncnc2c1ncn2C 27a_100000184479_100000058137 [0,1,1,0,0,0|2,0,0]=4 779 B17R2.74638 CN(CCCO)c1ncnc2c1ncn2C 27a_100000213112_100000058137 [0,1,1,0,0,0|2,0,0]=4 780 B17R2.74638 COCCN(C)c1ccnc2c1ccn2C 27a_100000743101_100010168893 [0,1,1,0,0,0|2,0,0]=4 781 B17R2.74638 COCCN(C)c1nccc2c1ccn2C 27a_100000743101_100000048735 [0,1,1,0,0,0|2,0,0]=4 782 B17R2.74638 COCCN(C)c1nccc2c1ncn2C 27a_100000743101_100000075535 [0,1,1,0,0,0|1,0,0]=3 783 B17R2.74638 COCCN(C)c1ncnc2c1ccn2C 27a_100000743101_100000076352 [0,1,1,0,0,0|1,0,0]=3 784 B17R2.74638 COCCN(C)c1ncnc2c1cnn2C 27a_100000743101_100000242733 [0,1,1,0,0,0|2,0,0]=4 785 B17R2.74638 COCCN(C)c1ncnc2c1ncn2C 27a_100000743101_100000058137 [0,1,1,0,0,0|0,0,0]=2 786 B17R2.74638 COCCN(C)c1ncnc2c1scc2C 27a_100000743101_100000041020 [0,1,1,0,0,0|2,0,0]=4 787 B17R2.74638 CSCCN(C)c1nccc2c1ncn2C 27a_100000686725_100000075535 [0,1,1,0,0,0|1,1,0]=4 788 B17R2.74638 CSCCN(C)c1ncnc2c1ccn2C 27a_100000686725_100000076352 [0,1,1,0,0,0|1,1,0]=4 789 B17R2.74638 CSCCN(C)c1ncnc2c1ncn2C 27a_100000686725_100000058137 [0,1,1,0,0,0|0,1,0]=3 790 B17R2.74646 CCCCN(C)c1ncnc2c1cc([nH]2)C 27a_100000207549_100009847220 [0,1,1,0,0,0|2,0,0]=4 791 B17R2.74646 COCCN(C)c1ncnc2c1cc([nH]2)C 27a_100000743101_100009847220 [0,1,1,0,0,0|1,0,0]=3 792 B17R2.74646 COCCN(C)c1ncnc2c1cc(s2)C 27a_100000743101_100000753035 [0,1,1,0,0,0|2,0,0]=4 793 B17R2.74646 COCCN(C)c1ncnc2c1sc(c2)C 27a_100000743101_200009846640 [0,1,1,0,0,0|2,0,0]=4 794 B17R2.74646 CSCCN(C)c1ncnc2c1cc([nH]2)C 27a_100000686725_100009847220 [0,1,1,0,0,0|1,1,0]=4 795 B17R2.74647 CCCCN(C)c1ncnc2c1c(c[nH]2)C 27a_100000207549_100000092391 [0,1,1,0,0,0|2,0,0]=4 796 B17R2.74647 CCCCN(C)c1ncnc2c1c(c[nH]2)F 27a_100000207549_100009880486 [0,1,1,0,0,0|2,0,0]=4 797 B17R2.74647 COCCN(C)c1ncnc2c1c(c[nH]2)C 27a_100000743101_100000092391 [0,1,1,0,0,0|1,0,0]=3 798 B17R2.74647 COCCN(C)c1ncnc2c1c(c[nH]2)F 27a_100000743101_100009880486 [0,1,1,0,0,0|1,0,0]=3 799 B17R2.74647 COCCN(C)c1ncnc2c1c(cs2)C 27a_100000743101_100000040732 [0,1,1,0,0,0|2,0,0]=4 800 B17R2.74647 COCCN(C)c1ncnc2c1n(cc2)C 27a_100000743101_100009847513 [0,1,1,0,0,0|1,0,1]=4 801 B17R2.74647 COCCN(C)c1ncnc2c1n(cn2)C 27a_100000743101_100000078800 [0,1,1,0,0,0|0,0,2]=4 802 B17R2.74647 CSCCN(C)c1ncnc2c1c(c[nH]2)C 27a_100000686725_100000092391 [0,1,1,0,0,0|1,1,0]=4 803 B17R2.74647 CSCCN(C)c1ncnc2c1c(c[nH]2)F 27a_100000686725_100009880486 [0,1,1,0,0,0|1,1,0]=4 804 B17R2.74682 C=CCCN(C)c1nc(nc2c1nc[nH]2)F 27a_100020639649_100000061921 [0,1,1,0,0,0|1,0,1]=4 805 B17R2.74682 CCCCN(C)c1nc(nc2c1cc[nH]2)C 27a_100000207549_100000092993 [0,1,1,0,0,0|2,0,0]=4 806 B17R2.74682 CCCCN(C)c1nc(nc2c1nc[nH]2)F 27a_100000207549_100000061921 [0,1,1,0,0,0|1,0,0]=3 807 B17R2.74682 CN(CCC#N)c1nc(nc2c1nc[nH]2)F 27a_100000184479_100000061921 [0,1,1,0,0,0|2,0,0]=4 808 B17R2.74682 CN(CCCO)c1nc(nc2c1nc[nH]2)F 27a_100000213112_100000061921 [0,1,1,0,0,0|2,0,0]=4 809 B17R2.74682 COCCN(C)c1nc(nc2c1[nH]cn2)N 27a_100000743101_100000764887 [0,1,1,0,0,0|0,0,2]=4 810 B17R2.74682 COCCN(C)c1nc(nc2c1cc[nH]2)C 27a_100000743101_100000092993 [0,1,1,0,0,0|1,0,0]=3 811 B17R2.74682 COCCN(C)c1nc(nc2c1ccs2)C 27a_100000743101_100000183124 [0,1,1,0,0,0|2,0,0]=4 812 B17R2.74682 COCCN(C)c1nc(nc2c1cn[nH]2)C 27a_100000743101_100000745003 [0,1,1,0,0,0|2,0,0]=4 813 B17R2.74682 COCCN(C)c1nc(nc2c1nc[nH]2)F 27a_100000743101_100000061921 [0,1,1,0,0,0|0,0,0]=2 814 B17R2.74682 COCCN(C)c1nc(nc2c1scc2)C 27a_100000743101_100012000418 [0,1,1,0,0,0|2,0,0]=4 815 B17R2.74682 CSCCN(C)c1nc(nc2c1cc[nH]2)C 27a_100000686725_100000092993 [0,1,1,0,0,0|1,1,0]=4 816 B17R2.74682 CSCCN(C)c1nc(nc2c1nc[nH]2)F 27a_100000686725_100000061921 [0,1,1,0,0,0|0,1,0]=3 817 B17R2.79430 CCCCN(CC)c1ccnc2c1nc[nH]2 27a_100000207695_100009820729 [0,1,1,0,0,0|2,0,0]=4 818 B17R2.79430 CCCCN(CC)c1ncnc2c1ncs2 27a_100000207695_100009860286 [0,1,1,0,0,0|2,0,0]=4 819 B17R2.79430 CCN(CCOC)c1ccnc2c1nc[nH]2 27a_100000731262_100009820729 [0,1,1,0,0,0|1,0,0]=3 820 B17R2.79430 CCN(CCOC)c1ccnc2c1nn[nH]2 27a_100000731262_100009853804 [0,1,1,0,0,0|2,0,0]=4 821 B17R2.79430 CCN(CCOC)c1ncnc2c1CCN2 27a_100000731262_200000104052 [0,1,1,0,0,0|1,0,1]=4 822 B17R2.79430 CCN(CCOC)c1ncnc2c1[nH]cc2 27a_100000731262_100000084117 [0,1,1,0,0,0|1,0,1]=4 823 B17R2.79430 CCN(CCOC)c1ncnc2c1[nH]cn2 27a_100000731262_100011215200 [0,1,1,0,0,0|0,0,2]=4 824 B17R2.79430 CCN(CCOC)c1ncnc2c1cco2 27a_100000731262_100000094286 [0,1,1,0,0,0|2,0,0]=4 825 B17R2.79430 CCN(CCOC)c1ncnc2c1ccs2 27a_100000731262_100000183654 [0,1,1,0,0,0|2,0,0]=4 826 B17R2.79430 CCN(CCOC)c1ncnc2c1cn[nH]2 27a_100000731262_100000735611 [0,1,1,0,0,0|2,0,0]=4 827 B17R2.79430 CCN(CCOC)c1ncnc2c1ncs2 27a_100000731262_100009860286 [0,1,1,0,0,0|1,0,0]=3 828 B17R2.79430 CCN(CCOC)c1ncnc2c1scc2 27a_100000731262_100000234879 [0,1,1,0,0,0|2,0,0]=4 829 B17R2.90971 CC(C)CCN(C)c1ccnc2c1nc[nH]2 27a_100000742789_100009820729 [0,1,1,0,0,0|2,0,0]=4 830 B17R2.90971 CC(C)CCN(C)c1ncnc2c1ncs2 27a_100000742789_100009860286 [0,1,1,0,0,0|2,0,0]=4 831 B17R2.90971 CN(C)CCN(C)c1ccnc2c1nc[nH]2 27a_100000225618_100009820729 [0,1,1,0,0,0|2,0,0]=4 832 B17R2.90971 CN(C)CCN(C)c1ncnc2c1ncs2 27a_100000225618_100009860286 [0,1,1,0,0,0|2,0,0]=4 833 B17R2.10878 C#CCOCCNc1ccnc2c1nc[nH]2 27a_100000700922_100009820729 [0,1,1,0,0,0|1,0,1]=4 834 B17R2.10878 C#CCOCCNc1ncnc2c1ncs2 27a_100000700922_100009860286 [0,1,1,0,0,0|1,0,1]=4 835 B17R2.10878 CCCCCCNc1ccnc2c1nc[nH]2 27a_100000210581_100009820729 [0,1,1,0,0,0|2,0,0]=4 836 B17R2.10878 CCCCCCNc1ncnc2c1ncs2 27a_100000210581_100009860286 [0,1,1,0,0,0|2,0,0]=4 837 B17R2.10878 CCCOCCNc1ccnc2c1nc[nH]2 27a_100161115042_100009820729 [0,1,1,0,0,0|1,0,0]=3 838 B17R2.10878 CCCOCCNc1ccnc2c1nn[nH]2 27a_100161115042_100009853804 [0,1,1,0,0,0|2,0,0]=4 839 B17R2.10878 CCCOCCNc1ncnc2c1CCN2 27a_100161115042_200000104052 [0,1,1,0,0,0|1,0,1]=4 840 B17R2.10878 CCCOCCNc1ncnc2c1[nH]cc2 27a_100161115042_100000084117 [0,1,1,0,0,0|1,0,1]=4 841 B17R2.10878 CCCOCCNc1ncnc2c1[nH]cn2 27a_100161115042_100011215200 [0,1,1,0,0,0|0,0,2]=4 842 B17R2.10878 CCCOCCNc1ncnc2c1cco2 27a_100161115042_100000094286 [0,1,1,0,0,0|2,0,0]=4 843 B17R2.10878 CCCOCCNc1ncnc2c1ccs2 27a_100161115042_100000183654 [0,1,1,0,0,0|2,0,0]=4 844 B17R2.10878 CCCOCCNc1ncnc2c1cn[nH]2 27a_100161115042_100000735611 [0,1,1,0,0,0|2,0,0]=4 845 B17R2.10878 CCCOCCNc1ncnc2c1ncs2 27a_100161115042_100009860286 [0,1,1,0,0,0|1,0,0]=3 846 B17R2.10878 CCCOCCNc1ncnc2c1scc2 27a_100161115042_100000234879 [0,1,1,0,0,0|2,0,0]=4 847 B17R2.10878 CCCOCCSc1ccnc2c1nc[nH]2 62a_100011215938_100009820729 [0,1,1,0,0,0|2,0,0]=4 848 B17R2.10878 CCCOCCSc1nccc2c1nc[nH]2 62a_100011215938_100009820035 [0,1,1,0,0,0|2,0,0]=4 849 B17R2.10878 CCCOCCSc1ncnc2c1ncs2 62a_100011215938_100009860286 [0,1,1,0,0,0|2,0,0]=4 850 B17R2.10878 CCCSCCNc1ccnc2c1nc[nH]2 27a_100020603323_100009820729 [0,1,1,0,0,0|1,1,0]=4 851 B17R2.10878 CCCSCCNc1ncnc2c1ncs2 27a_100020603323_100009860286 [0,1,1,0,0,0|1,1,0]=4 852 B17R2.10878 CCOCCCNc1ccnc2c1nc[nH]2 27a_100000210961_100009820729 [0,1,1,0,0,0|1,0,0]=3 853 B17R2.10878 CCOCCCNc1ccnc2c1nn[nH]2 27a_100000210961_100009853804 [0,1,1,0,0,0|2,0,0]=4 854 B17R2.10878 CCOCCCNc1ncnc2c1CCN2 27a_100000210961_200000104052 [0,1,1,0,0,0|1,0,1]=4 855 B17R2.10878 CCOCCCNc1ncnc2c1[nH]cc2 27a_100000210961_100000084117 [0,1,1,0,0,0|1,0,1]=4 856 B17R2.10878 CCOCCCNc1ncnc2c1[nH]cn2 27a_100000210961_100011215200 [0,1,1,0,0,0|0,0,2]=4 857 B17R2.10878 CCOCCCNc1ncnc2c1cco2 27a_100000210961_100000094286 [0,1,1,0,0,0|2,0,0]=4 858 B17R2.10878 CCOCCCNc1ncnc2c1ccs2 27a_100000210961_100000183654 [0,1,1,0,0,0|2,0,0]=4 859 B17R2.10878 CCOCCCNc1ncnc2c1cn[nH]2 27a_100000210961_100000735611 [0,1,1,0,0,0|2,0,0]=4 860 B17R2.10878 CCOCCCNc1ncnc2c1ncs2 27a_100000210961_100009860286 [0,1,1,0,0,0|1,0,0]=3 861 B17R2.10878 CCOCCCNc1ncnc2c1scc2 27a_100000210961_100000234879 [0,1,1,0,0,0|2,0,0]=4 862 B17R2.10878 CCOCCCSc1ccnc2c1nc[nH]2 62a_100012232248_100009820729 [0,1,1,0,0,0|2,0,0]=4 863 B17R2.10878 CCOCCCSc1nccc2c1nc[nH]2 62a_100012232248_100009820035 [0,1,1,0,0,0|2,0,0]=4 864 B17R2.10878 CCOCCCSc1ncnc2c1ncs2 62a_100012232248_100009860286 [0,1,1,0,0,0|2,0,0]=4 865 B17R2.10878 OCCCCCNc1ccnc2c1nc[nH]2 27a_100000762737_100009820729 [0,1,1,0,0,0|2,0,0]=4 866 B17R2.10878 OCCCCCNc1ncnc2c1ncs2 27a_100000762737_100009860286 [0,1,1,0,0,0|2,0,0]=4 867 B17R2.10878 OCCOCCNc1ccnc2c1nc[nH]2 27a_100000211614_100009820729 [0,1,1,0,0,0|1,0,0]=3 868 B17R2.10878 OCCOCCNc1ccnc2c1nn[nH]2 27a_100000211614_100009853804 [0,1,1,0,0,0|2,0,0]=4 869 B17R2.10878 OCCOCCNc1ncnc2c1CCN2 27a_100000211614_200000104052 [0,1,1,0,0,0|1,0,1]=4 870 B17R2.10878 OCCOCCNc1ncnc2c1[nH]cc2 27a_100000211614_100000084117 [0,1,1,0,0,0|1,0,1]=4 871 B17R2.10878 OCCOCCNc1ncnc2c1[nH]cn2 27a_100000211614_100011215200 [0,1,1,0,0,0|0,0,2]=4 872 B17R2.10878 OCCOCCNc1ncnc2c1cco2 27a_100000211614_100000094286 [0,1,1,0,0,0|2,0,0]=4 873 B17R2.10878 OCCOCCNc1ncnc2c1ccs2 27a_100000211614_100000183654 [0,1,1,0,0,0|2,0,0]=4 874 B17R2.10878 OCCOCCNc1ncnc2c1cn[nH]2 27a_100000211614_100000735611 [0,1,1,0,0,0|2,0,0]=4 875 B17R2.10878 OCCOCCNc1ncnc2c1ncs2 27a_100000211614_100009860286 [0,1,1,0,0,0|1,0,0]=3 876 B17R2.10878 OCCOCCNc1ncnc2c1scc2 27a_100000211614_100000234879 [0,1,1,0,0,0|2,0,0]=4 877 B17R2.10878 OCCOCCSc1ccnc2c1nc[nH]2 62a_100011215305_100009820729 [0,1,1,0,0,0|2,0,0]=4 878 B17R2.10878 OCCOCCSc1nccc2c1nc[nH]2 62a_100011215305_100009820035 [0,1,1,0,0,0|2,0,0]=4 879 B17R2.10878 OCCOCCSc1ncnc2c1ncs2 62a_100011215305_100009860286 [0,1,1,0,0,0|2,0,0]=4 880 B17R2.10878 OCCSCCNc1ccnc2c1nc[nH]2 27a_100011219999_100009820729 [0,1,1,0,0,0|1,1,0]=4 881 B17R2.10878 OCCSCCNc1ncnc2c1ncs2 27a_100011219999_100009860286 [0,1,1,0,0,0|1,1,0]=4 882 B17R2.19045 CCCCCNc1nccc2c1ncn2C 27a_100000209983_100000075535 [0,1,1,0,0,0|2,0,0]=4 883 B17R2.19045 CCCCCNc1ncnc2c1ccn2C 27a_100000209983_100000076352 [0,1,1,0,0,0|2,0,0]=4 884 B17R2.19045 CCCCCNc1ncnc2c1ncn2C 27a_100000209983_100000058137 [0,1,1,0,0,0|1,0,0]=3 885 B17R2.19045 CCCCCSc1ncnc2c1ncn2C 62a_100000210326_100000058137 [0,1,1,0,0,0|2,0,0]=4 886 B17R2.19045 CCOCCNc1ccnc2c1ccn2C 27a_100011200944_100010168893 [0,1,1,0,0,0|2,0,0]=4 887 B17R2.19045 CCOCCNc1nccc2c1ccn2C 27a_100011200944_100000048735 [0,1,1,0,0,0|2,0,0]=4 888 B17R2.19045 CCOCCNc1nccc2c1ncn2C 27a_100011200944_100000075535 [0,1,1,0,0,0|1,0,0]=3 889 B17R2.19045 CCOCCNc1ncnc2c1ccn2C 27a_100011200944_100000076352 [0,1,1,0,0,0|1,0,0]=3 890 B17R2.19045 CCOCCNc1ncnc2c1cnn2C 27a_100011200944_100000242733 [0,1,1,0,0,0|2,0,0]=4 891 B17R2.19045 CCOCCNc1ncnc2c1ncn2C 27a_100011200944_100000058137 [0,1,1,0,0,0|0,0,0]=2 892 B17R2.19045 CCOCCNc1ncnc2c1scc2C 27a_100011200944_100000041020 [0,1,1,0,0,0|2,0,0]=4 893 B17R2.19045 CCOCCSc1nccc2c1ncn2C 62a_100000210147_100000075535 [0,1,1,0,0,0|2,0,0]=4 894 B17R2.19045 CCOCCSc1ncnc2c1ccn2C 62a_100000210147_100000076352 [0,1,1,0,0,0|2,0,0]=4 895 B17R2.19045 CCOCCSc1ncnc2c1ncn2C 62a_100000210147_100000058137 [0,1,1,0,0,0|1,0,0]=3 896 B17R2.19045 CCSCCNc1nccc2c1ncn2C 27a_100000106463_100000075535 [0,1,1,0,0,0|1,1,0]=4 897 B17R2.19045 CCSCCNc1ncnc2c1ccn2C 27a_100000106463_100000076352 [0,1,1,0,0,0|1,1,0]=4 898 B17R2.19045 CCSCCNc1ncnc2c1ncn2C 27a_100000106463_100000058137 [0,1,1,0,0,0|0,1,0]=3 899 B17R2.19045 CCSCCSc1ncnc2c1ncn2C 62a_100000757381_100000058137 [0,1,1,0,0,0|1,1,0]=4 900 B17R2.19045 COCCCNc1ncnc2c1ncn2C 27a_100150723488_100000058137 [0,1,1,0,0,0|2,0,0]=4 901 B17R2.19045 CSCCCNc1ncnc2c1ncn2C 27a_100000749238_100000058137 [0,1,1,0,0,0|2,0,0]=4 902 B17R2.19045 Cn1cnc2c1ncnc2NCCCCO 27a_100000750430_100000058137 [0,1,1,0,0,0|2,0,0]=4 903 B17R2.19053 CCCCCNc1ncnc2c1cc([nH]2)C 27a_100000209983_100009847220 [0,1,1,0,0,0|2,0,0]=4 904 B17R2.19053 CCOCCNc1ncnc2c1cc([nH]2)C 27a_100011200944_100009847220 [0,1,1,0,0,0|1,0,0]=3 905 B17R2.19053 CCOCCNc1ncnc2c1cc(s2)C 27a_100011200944_100000753035 [0,1,1,0,0,0|2,0,0]=4 906 B17R2.19053 CCOCCNc1ncnc2c1sc(c2)C 27a_100011200944_200009846640 [0,1,1,0,0,0|2,0,0]=4 907 B17R2.19053 CCOCCSc1ncnc2c1CC(=O)N2 62a_100000210147_100000094081 [0,1,1,0,0,0|2,0,0]=4 908 B17R2.19053 CCOCCSc1ncnc2c1cc([nH]2)C 62a_100000210147_100009847220 [0,1,1,0,0,0|2,0,0]=4 909 B17R2.19053 CCSCCNc1ncnc2c1cc([nH]2)C 27a_100000106463_100009847220 [0,1,1,0,0,0|1,1,0]=4 910 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)C 27a_100000209983_100000092391 [0,1,1,0,0,0|2,0,0]=4 911 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)F 27a_100000209983_100009880486 [0,1,1,0,0,0|2,0,0]=4 912 B17R2.19054 CCOCCNc1ncnc2c1c(c[nH]2)C 27a_100011200944_100000092391 [0,1,1,0,0,0|1,0,0]=3 913 B17R2.19054 CCOCCNc1ncnc2c1c(c[nH]2)F 27a_100011200944_100009880486 [0,1,1,0,0,0|1,0,0]=3 914 B17R2.19054 CCOCCNc1ncnc2c1c(cs2)C 27a_100011200944_100000040732 [0,1,1,0,0,0|2,0,0]=4 915 B17R2.19054 CCOCCNc1ncnc2c1n(cc2)C 27a_100011200944_100009847513 [0,1,1,0,0,0|1,0,1]=4 916 B17R2.19054 CCOCCNc1ncnc2c1n(cn2)C 27a_100011200944_100000078800 [0,1,1,0,0,0|0,0,2]=4 917 B17R2.19054 CCOCCSc1ncnc2c1c(c[nH]2)C 62a_100000210147_100000092391 [0,1,1,0,0,0|2,0,0]=4 918 B17R2.19054 CCOCCSc1ncnc2c1c(c[nH]2)F 62a_100000210147_100009880486 [0,1,1,0,0,0|2,0,0]=4 919 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)C 27a_100000106463_100000092391 [0,1,1,0,0,0|1,1,0]=4 920 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)F 27a_100000106463_100009880486 [0,1,1,0,0,0|1,1,0]=4 921 B17R2.44757 CC(C)CCCNc1ccnc2c1nc[nH]2 27a_200000737386_100009820729 [0,1,1,0,0,0|2,0,0]=4 922 B17R2.44757 CC(C)CCCNc1ncnc2c1ncs2 27a_200000737386_100009860286 [0,1,1,0,0,0|2,0,0]=4 923 B17R2.44757 CC(C)OCCNc1ccnc2c1nc[nH]2 27a_100000701111_100009820729 [0,1,1,0,0,0|1,0,0]=3 924 B17R2.44757 CC(C)OCCNc1ccnc2c1nn[nH]2 27a_100000701111_100009853804 [0,1,1,0,0,0|2,0,0]=4 925 B17R2.44757 CC(C)OCCNc1ncnc2c1CCN2 27a_100000701111_200000104052 [0,1,1,0,0,0|1,0,1]=4 926 B17R2.44757 CC(C)OCCNc1ncnc2c1[nH]cc2 27a_100000701111_100000084117 [0,1,1,0,0,0|1,0,1]=4 927 B17R2.44757 CC(C)OCCNc1ncnc2c1[nH]cn2 27a_100000701111_100011215200 [0,1,1,0,0,0|0,0,2]=4 928 B17R2.44757 CC(C)OCCNc1ncnc2c1cco2 27a_100000701111_100000094286 [0,1,1,0,0,0|2,0,0]=4 929 B17R2.44757 CC(C)OCCNc1ncnc2c1ccs2 27a_100000701111_100000183654 [0,1,1,0,0,0|2,0,0]=4 930 B17R2.44757 CC(C)OCCNc1ncnc2c1cn[nH]2 27a_100000701111_100000735611 [0,1,1,0,0,0|2,0,0]=4 931 B17R2.44757 CC(C)OCCNc1ncnc2c1ncs2 27a_100000701111_100009860286 [0,1,1,0,0,0|1,0,0]=3 932 B17R2.44757 CC(C)OCCNc1ncnc2c1scc2 27a_100000701111_100000234879 [0,1,1,0,0,0|2,0,0]=4 933 B17R2.44757 CC(C)OCCSc1ccnc2c1nc[nH]2 62a_100000211751_100009820729 [0,1,1,0,0,0|2,0,0]=4 934 B17R2.44757 CC(C)OCCSc1nccc2c1nc[nH]2 62a_100000211751_100009820035 [0,1,1,0,0,0|2,0,0]=4 935 B17R2.44757 CC(C)OCCSc1ncnc2c1ncs2 62a_100000211751_100009860286 [0,1,1,0,0,0|2,0,0]=4 936 B17R2.44757 CC(C)SCCNc1ccnc2c1nc[nH]2 27a_100000731138_100009820729 [0,1,1,0,0,0|1,1,0]=4 937 B17R2.44757 CC(C)SCCNc1ncnc2c1ncs2 27a_100000731138_100009860286 [0,1,1,0,0,0|1,1,0]=4 938 B17R2.46852 CCOCCSc1ncc(c2c1nc[nH]2)F 62a_100000210147_100009853726 [0,1,1,0,0,0|2,0,0]=4 939 B17R2.46861 CCCCCNc1nc(nc2c1cc[nH]2)C 27a_100000209983_100000092993 [0,1,1,0,0,0|2,0,0]=4 940 B17R2.46861 CCCCCNc1nc(nc2c1nc[nH]2)F 27a_100000209983_100000061921 [0,1,1,0,0,0|1,0,0]=3 941 B17R2.46861 CCCCCSc1nc(nc2c1nc[nH]2)F 62a_100000210326_100000061921 [0,1,1,0,0,0|2,0,0]=4 942 B17R2.46861 CCOCCNc1nc(nc2c1[nH]cn2)N 27a_100011200944_100000764887 [0,1,1,0,0,0|0,0,2]=4 943 B17R2.46861 CCOCCNc1nc(nc2c1cc[nH]2)C 27a_100011200944_100000092993 [0,1,1,0,0,0|1,0,0]=3 944 B17R2.46861 CCOCCNc1nc(nc2c1ccs2)C 27a_100011200944_100000183124 [0,1,1,0,0,0|2,0,0]=4 945 B17R2.46861 CCOCCNc1nc(nc2c1cn[nH]2)C 27a_100011200944_100000745003 [0,1,1,0,0,0|2,0,0]=4 946 B17R2.46861 CCOCCNc1nc(nc2c1nc[nH]2)F 27a_100011200944_100000061921 [0,1,1,0,0,0|0,0,0]=2 947 B17R2.46861 CCOCCNc1nc(nc2c1scc2)C 27a_100011200944_100012000418 [0,1,1,0,0,0|2,0,0]=4 948 B17R2.46861 CCOCCSc1nc(nc2c1cc[nH]2)C 62a_100000210147_100000092993 [0,1,1,0,0,0|2,0,0]=4 949 B17R2.46861 CCOCCSc1nc(nc2c1nc[nH]2)F 62a_100000210147_100000061921 [0,1,1,0,0,0|1,0,0]=3 950 B17R2.46861 CCSCCNc1nc(nc2c1cc[nH]2)C 27a_100000106463_100000092993 [0,1,1,0,0,0|1,1,0]=4 951 B17R2.46861 CCSCCNc1nc(nc2c1nc[nH]2)F 27a_100000106463_100000061921 [0,1,1,0,0,0|0,1,0]=3 952 B17R2.46861 CCSCCSc1nc(nc2c1nc[nH]2)F 62a_100000757381_100000061921 [0,1,1,0,0,0|1,1,0]=4 953 B17R2.46861 COCCCNc1nc(nc2c1nc[nH]2)F 27a_100150723488_100000061921 [0,1,1,0,0,0|2,0,0]=4 954 B17R2.46861 CSCCCNc1nc(nc2c1nc[nH]2)F 27a_100000749238_100000061921 [0,1,1,0,0,0|2,0,0]=4 955 B17R2.46861 OCCCCNc1nc(nc2c1nc[nH]2)F 27a_100000750430_100000061921 [0,1,1,0,0,0|2,0,0]=4 956 B17R2.60842 CCC(C)CCNc1ccnc2c1nc[nH]2 27a_100020591266_100009820729 [0,1,1,0,0,0|2,0,0]=4 957 B17R2.60842 CCC(C)CCNc1ncnc2c1ncs2 27a_100020591266_100009860286 [0,1,1,0,0,0|2,0,0]=4 958 B17R2.74423 CCCCC(C)Nc1ccnc2c1nc[nH]2 27a_100000126638_100009820729 [0,1,1,0,0,0|2,0,0]=4 959 B17R2.74423 CCCCC(C)Nc1ncnc2c1ncs2 27a_100000126638_100009860286 [0,1,1,0,0,0|2,0,0]=4 960 B17R2.21752 C#CCN(CC)c1ncnc2c1ncn2C 27a_100000744766_100000058137 [0,1,1,0,0,0|1,0,1]=4 961 B17R2.21752 CCCN(CC)c1nccc2c1ncn2C 27a_100000226822_100000075535 [0,1,1,0,0,0|2,0,0]=4 962 B17R2.21752 CCCN(CC)c1ncnc2c1ccn2C 27a_100000226822_100000076352 [0,1,1,0,0,0|2,0,0]=4 963 B17R2.21752 CCCN(CC)c1ncnc2c1ncn2C 27a_100000226822_100000058137 [0,1,1,0,0,0|1,0,0]=3 964 B17R2.21752 CCN(CCO)c1ccnc2c1ccn2C 27a_100000210973_100010168893 [0,1,1,0,0,0|2,0,0]=4 965 B17R2.21752 CCN(CCO)c1nccc2c1ccn2C 27a_100000210973_100000048735 [0,1,1,0,0,0|2,0,0]=4 966 B17R2.21752 CCN(CCO)c1nccc2c1ncn2C 27a_100000210973_100000075535 [0,1,1,0,0,0|1,0,0]=3 967 B17R2.21752 CCN(CCO)c1ncnc2c1ccn2C 27a_100000210973_100000076352 [0,1,1,0,0,0|1,0,0]=3 968 B17R2.21752 CCN(CCO)c1ncnc2c1cnn2C 27a_100000210973_100000242733 [0,1,1,0,0,0|2,0,0]=4 969 B17R2.21752 CCN(CCO)c1ncnc2c1ncn2C 27a_100000210973_100000058137 [0,1,1,0,0,0|0,0,0]=2 970 B17R2.21752 CCN(CCO)c1ncnc2c1scc2C 27a_100000210973_100000041020 [0,1,1,0,0,0|2,0,0]=4 971 B17R2.21760 CCCN(CC)c1ncnc2c1cc([nH]2)C 27a_100000226822_100009847220 [0,1,1,0,0,0|2,0,0]=4 972 B17R2.21760 CCN(CCO)c1ncnc2c1cc([nH]2)C 27a_100000210973_100009847220 [0,1,1,0,0,0|1,0,0]=3 973 B17R2.21760 CCN(CCO)c1ncnc2c1cc(s2)C 27a_100000210973_100000753035 [0,1,1,0,0,0|2,0,0]=4 974 B17R2.21760 CCN(CCO)c1ncnc2c1sc(c2)C 27a_100000210973_200009846640 [0,1,1,0,0,0|2,0,0]=4 975 B17R2.21761 CCCN(CC)c1ncnc2c1c(c[nH]2)C 27a_100000226822_100000092391 [0,1,1,0,0,0|2,0,0]=4 976 B17R2.21761 CCCN(CC)c1ncnc2c1c(c[nH]2)F 27a_100000226822_100009880486 [0,1,1,0,0,0|2,0,0]=4 977 B17R2.21761 CCN(CCO)c1ncnc2c1c(c[nH]2)C 27a_100000210973_100000092391 [0,1,1,0,0,0|1,0,0]=3 978 B17R2.21761 CCN(CCO)c1ncnc2c1c(c[nH]2)F 27a_100000210973_100009880486 [0,1,1,0,0,0|1,0,0]=3 979 B17R2.21761 CCN(CCO)c1ncnc2c1c(cs2)C 27a_100000210973_100000040732 [0,1,1,0,0,0|2,0,0]=4 980 B17R2.21761 CCN(CCO)c1ncnc2c1n(cc2)C 27a_100000210973_100009847513 [0,1,1,0,0,0|1,0,1]=4 981 B17R2.21761 CCN(CCO)c1ncnc2c1n(cn2)C 27a_100000210973_100000078800 [0,1,1,0,0,0|0,0,2]=4 982 B17R2.21794 C#CCN(CC)c1nc(nc2c1nc[nH]2)F 27a_100000744766_100000061921 [0,1,1,0,0,0|1,0,1]=4 983 B17R2.21794 CCCN(CC)c1nc(nc2c1cc[nH]2)C 27a_100000226822_100000092993 [0,1,1,0,0,0|2,0,0]=4 984 B17R2.21794 CCCN(CC)c1nc(nc2c1nc[nH]2)F 27a_100000226822_100000061921 [0,1,1,0,0,0|1,0,0]=3 985 B17R2.21794 CCN(CCO)c1nc(nc2c1[nH]cn2)N 27a_100000210973_100000764887 [0,1,1,0,0,0|0,0,2]=4 986 B17R2.21794 CCN(CCO)c1nc(nc2c1cc[nH]2)C 27a_100000210973_100000092993 [0,1,1,0,0,0|1,0,0]=3 987 B17R2.21794 CCN(CCO)c1nc(nc2c1ccs2)C 27a_100000210973_100000183124 [0,1,1,0,0,0|2,0,0]=4 988 B17R2.21794 CCN(CCO)c1nc(nc2c1cn[nH]2)C 27a_100000210973_100000745003 [0,1,1,0,0,0|2,0,0]=4 989 B17R2.21794 CCN(CCO)c1nc(nc2c1nc[nH]2)F 27a_100000210973_100000061921 [0,1,1,0,0,0|0,0,0]=2 990 B17R2.21794 CCN(CCO)c1nc(nc2c1scc2)C 27a_100000210973_100012000418 [0,1,1,0,0,0|2,0,0]=4 991 B17R2.295633 CCN(CC(C)C)c1ccnc2c1nc[nH]2 27a_100000738554_100009820729 [0,1,1,0,0,0|2,0,0]=4 992 B17R2.295633 CCN(CC(C)C)c1ncnc2c1ncs2 27a_100000738554_100009860286 [0,1,1,0,0,0|2,0,0]=4 993 B17R2.295633 CCN(C[C@H](C)O)c1ccnc2c1nc[nH]2 27a_100000729506_100009820729 [0,1,1,0,0,0|1,0,0]=3 994 B17R2.295633 CCN(C[C@H](C)O)c1ccnc2c1nn[nH]2 27a_100000729506_100009853804 [0,1,1,0,0,0|2,0,0]=4 995 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1CCN2 27a_100000729506_200000104052 [0,1,1,0,0,0|1,0,1]=4 996 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1[nH]cc2 27a_100000729506_100000084117 [0,1,1,0,0,0|1,0,1]=4 997 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1[nH]cn2 27a_100000729506_100011215200 [0,1,1,0,0,0|0,0,2]=4 998 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1cco2 27a_100000729506_100000094286 [0,1,1,0,0,0|2,0,0]=4 999 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1ccs2 27a_100000729506_100000183654 [0,1,1,0,0,0|2,0,0]=4 1000 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1cn[nH]2 27a_100000729506_100000735611 [0,1,1,0,0,0|2,0,0]=4 1001 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1ncs2 27a_100000729506_100009860286 [0,1,1,0,0,0|1,0,0]=3 1002 B17R2.295633 CCN(C[C@H](C)O)c1ncnc2c1scc2 27a_100000729506_100000234879 [0,1,1,0,0,0|2,0,0]=4 1003 B17R2.301371 CC(C)N(CCO)c1ccnc2c1nc[nH]2 27a_100000224655_100009820729 [0,1,1,0,0,0|1,0,0]=3 1004 B17R2.301371 CC(C)N(CCO)c1ccnc2c1nn[nH]2 27a_100000224655_100009853804 [0,1,1,0,0,0|2,0,0]=4 1005 B17R2.301371 CC(C)N(CCO)c1ncnc2c1CCN2 27a_100000224655_200000104052 [0,1,1,0,0,0|1,0,1]=4 1006 B17R2.301371 CC(C)N(CCO)c1ncnc2c1[nH]cc2 27a_100000224655_100000084117 [0,1,1,0,0,0|1,0,1]=4 1007 B17R2.301371 CC(C)N(CCO)c1ncnc2c1[nH]cn2 27a_100000224655_100011215200 [0,1,1,0,0,0|0,0,2]=4 1008 B17R2.301371 CC(C)N(CCO)c1ncnc2c1cco2 27a_100000224655_100000094286 [0,1,1,0,0,0|2,0,0]=4 1009 B17R2.301371 CC(C)N(CCO)c1ncnc2c1ccs2 27a_100000224655_100000183654 [0,1,1,0,0,0|2,0,0]=4 1010 B17R2.301371 CC(C)N(CCO)c1ncnc2c1cn[nH]2 27a_100000224655_100000735611 [0,1,1,0,0,0|2,0,0]=4 1011 B17R2.301371 CC(C)N(CCO)c1ncnc2c1ncs2 27a_100000224655_100009860286 [0,1,1,0,0,0|1,0,0]=3 1012 B17R2.301371 CC(C)N(CCO)c1ncnc2c1scc2 27a_100000224655_100000234879 [0,1,1,0,0,0|2,0,0]=4 1013 B17R2.301371 CCCN(c1ccnc2c1nc[nH]2)C(C)C 27a_106256033942_100009820729 [0,1,1,0,0,0|2,0,0]=4 1014 B17R2.301371 CCCN(c1ncnc2c1ncs2)C(C)C 27a_106256033942_100009860286 [0,1,1,0,0,0|2,0,0]=4 1015 B17R2.312270 CCCN(CCC)c1ccnc2c1nc[nH]2 27a_100000210455_100009820729 [0,1,1,0,0,0|2,0,0]=4 1016 B17R2.312270 CCCN(CCC)c1ncnc2c1ncs2 27a_100000210455_100009860286 [0,1,1,0,0,0|2,0,0]=4 1017 B17R2.312270 CCCN(CCO)c1ccnc2c1nc[nH]2 27a_100000211420_100009820729 [0,1,1,0,0,0|1,0,0]=3 1018 B17R2.312270 CCCN(CCO)c1ccnc2c1nn[nH]2 27a_100000211420_100009853804 [0,1,1,0,0,0|2,0,0]=4 1019 B17R2.312270 CCCN(CCO)c1ncnc2c1CCN2 27a_100000211420_200000104052 [0,1,1,0,0,0|1,0,1]=4 1020 B17R2.312270 CCCN(CCO)c1ncnc2c1[nH]cc2 27a_100000211420_100000084117 [0,1,1,0,0,0|1,0,1]=4 1021 B17R2.312270 CCCN(CCO)c1ncnc2c1[nH]cn2 27a_100000211420_100011215200 [0,1,1,0,0,0|0,0,2]=4 1022 B17R2.312270 CCCN(CCO)c1ncnc2c1cco2 27a_100000211420_100000094286 [0,1,1,0,0,0|2,0,0]=4 1023 B17R2.312270 CCCN(CCO)c1ncnc2c1ccs2 27a_100000211420_100000183654 [0,1,1,0,0,0|2,0,0]=4 1024 B17R2.312270 CCCN(CCO)c1ncnc2c1cn[nH]2 27a_100000211420_100000735611 [0,1,1,0,0,0|2,0,0]=4 1025 B17R2.312270 CCCN(CCO)c1ncnc2c1ncs2 27a_100000211420_100009860286 [0,1,1,0,0,0|1,0,0]=3 1026 B17R2.312270 CCCN(CCO)c1ncnc2c1scc2 27a_100000211420_100000234879 [0,1,1,0,0,0|2,0,0]=4 1027 B17R2.312270 OCCN(CCO)c1ccnc2c1nc[nH]2 27a_100000210587_100009820729 [0,1,1,0,0,0|1,0,0]=3 1028 B17R2.312270 OCCN(CCO)c1ccnc2c1nn[nH]2 27a_100000210587_100009853804 [0,1,1,0,0,0|2,0,0]=4 1029 B17R2.312270 OCCN(CCO)c1ncnc2c1CCN2 27a_100000210587_200000104052 [0,1,1,0,0,0|1,0,1]=4 1030 B17R2.312270 OCCN(CCO)c1ncnc2c1[nH]cc2 27a_100000210587_100000084117 [0,1,1,0,0,0|1,0,1]=4 1031 B17R2.312270 OCCN(CCO)c1ncnc2c1[nH]cn2 27a_100000210587_100011215200 [0,1,1,0,0,0|0,0,2]=4 1032 B17R2.312270 OCCN(CCO)c1ncnc2c1cco2 27a_100000210587_100000094286 [0,1,1,0,0,0|2,0,0]=4 1033 B17R2.312270 OCCN(CCO)c1ncnc2c1ccs2 27a_100000210587_100000183654 [0,1,1,0,0,0|2,0,0]=4 1034 B17R2.312270 OCCN(CCO)c1ncnc2c1cn[nH]2 27a_100000210587_100000735611 [0,1,1,0,0,0|2,0,0]=4 1035 B17R2.312270 OCCN(CCO)c1ncnc2c1ncs2 27a_100000210587_100009860286 [0,1,1,0,0,0|1,0,0]=3 1036 B17R2.312270 OCCN(CCO)c1ncnc2c1scc2 27a_100000210587_100000234879 [0,1,1,0,0,0|2,0,0]=4 1037 B17R2.353839 CCC(C)N(CC)c1ccnc2c1nc[nH]2 27a_100000732650_100009820729 [0,1,1,0,0,0|2,0,0]=4 1038 B17R2.353839 CCC(C)N(CC)c1ncnc2c1ncs2 27a_100000732650_100009860286 [0,1,1,0,0,0|2,0,0]=4 1039 B17R2.353839 CCN(c1ccnc2c1nc[nH]2)C(C)CO 27a_100000731049_100009820729 [0,1,1,0,0,0|1,0,0]=3 1040 B17R2.353839 CCN(c1ccnc2c1nn[nH]2)C(C)CO 27a_100000731049_100009853804 [0,1,1,0,0,0|2,0,0]=4 1041 B17R2.353839 CCN(c1ncnc2c1CCN2)C(C)CO 27a_100000731049_200000104052 [0,1,1,0,0,0|1,0,1]=4 1042 B17R2.353839 CCN(c1ncnc2c1[nH]cc2)C(C)CO 27a_100000731049_100000084117 [0,1,1,0,0,0|1,0,1]=4 1043 B17R2.353839 CCN(c1ncnc2c1[nH]cn2)C(C)CO 27a_100000731049_100011215200 [0,1,1,0,0,0|0,0,2]=4 1044 B17R2.353839 CCN(c1ncnc2c1cco2)C(C)CO 27a_100000731049_100000094286 [0,1,1,0,0,0|2,0,0]=4 1045 B17R2.353839 CCN(c1ncnc2c1ccs2)C(C)CO 27a_100000731049_100000183654 [0,1,1,0,0,0|2,0,0]=4 1046 B17R2.353839 CCN(c1ncnc2c1cn[nH]2)C(C)CO 27a_100000731049_100000735611 [0,1,1,0,0,0|2,0,0]=4 1047 B17R2.353839 CCN(c1ncnc2c1ncs2)C(C)CO 27a_100000731049_100009860286 [0,1,1,0,0,0|1,0,0]=3 1048 B17R2.353839 CCN(c1ncnc2c1scc2)C(C)CO 27a_100000731049_100000234879 [0,1,1,0,0,0|2,0,0]=4 1049 B17R3.3 Cc1csc2c1ncnc2N3CCCC3 27a_100000188435_100000041020 [0,1,0,0,1,0|2,0,0]=4 1050 B17R3.3 Cn1ccc2c1ccnc2N3CCCC3 27a_100000188435_100000048735 [0,1,0,0,1,0|2,0,0]=4 1051 B17R3.3 Cn1ccc2c1nccc2N3CCCC3 27a_100000188435_100010168893 [0,1,0,0,1,0|2,0,0]=4 1052 B17R3.3 Cn1ccc2c1ncnc2N3CCCC3 27a_100000188435_100000076352 [0,1,0,0,1,0|1,0,0]=3 1053 B17R3.3 Cn1ccc2c1ncnc2N3CCSC3 27a_100011215254_100000076352 [0,1,0,0,1,0|1,1,0]=4 1054 B17R3.3 Cn1cnc2c1ccnc2N3CCCC3 27a_100000188435_100000075535 [0,1,0,0,1,0|1,0,0]=3 1055 B17R3.3 Cn1cnc2c1ccnc2N3CCSC3 27a_100011215254_100000075535 [0,1,0,0,1,0|1,1,0]=4 1056 B17R3.3 Cn1cnc2c1ncnc2C3=CCCC3 271570a_100000089523_100000058137 [0,1,0,0,1,0|1,0,1]=4 1057 B17R3.3 Cn1cnc2c1ncnc2C3=CCOC3 271570a_100009872500_100000058137 [0,1,0,0,1,0|1,0,1]=4 1058 B17R3.3 Cn1cnc2c1ncnc2C3=COCC3 271570a_100000118173_100000058137 [0,1,0,0,1,0|1,0,1]=4 1059 B17R3.3 Cn1cnc2c1ncnc2N3CC=CC3 27a_100015195280_100000058137 [0,1,0,0,1,0|0,0,2]=4 1060 B17R3.3 Cn1cnc2c1ncnc2N3CCCC3 27a_100000188435_100000058137 [0,1,0,0,1,0|0,0,0]=2 1061 B17R3.3 Cn1cnc2c1ncnc2N3CCSC3 27a_100011215254_100000058137 [0,1,0,0,1,0|0,1,0]=3 1062 B17R3.3 Cn1ncc2c1ncnc2N3CCCC3 27a_100000188435_100000242733 [0,1,0,0,1,0|2,0,0]=4 1063 B17R3.104 Cc1nc(c2cc[nH]c2n1)N3CCCC3 27a_100000188435_100000092993 [0,1,0,0,1,0|1,0,0]=3 1064 B17R3.104 Cc1nc(c2cc[nH]c2n1)N3CCSC3 27a_100011215254_100000092993 [0,1,0,0,1,0|1,1,0]=4 1065 B17R3.104 Cc1nc(c2ccsc2n1)N3CCCC3 27a_100000188435_100000183124 [0,1,0,0,1,0|2,0,0]=4 1066 B17R3.104 Cc1nc(c2cn[nH]c2n1)N3CCCC3 27a_100000188435_100000745003 [0,1,0,0,1,0|2,0,0]=4 1067 B17R3.104 Cc1nc(c2sccc2n1)N3CCCC3 27a_100000188435_100012000418 [0,1,0,0,1,0|2,0,0]=4 1068 B17R3.104 Fc1nc(c2nc[nH]c2n1)N3CC=CC3 27a_100015195280_100000061921 [0,1,0,0,1,0|0,0,2]=4 1069 B17R3.104 Fc1nc(c2nc[nH]c2n1)N3CCCC3 27a_100000188435_100000061921 [0,1,0,0,1,0|0,0,0]=2 1070 B17R3.104 Fc1nc(c2nc[nH]c2n1)N3CCSC3 27a_100011215254_100000061921 [0,1,0,0,1,0|0,1,0]=3 1071 B17R3.104 Nc1nc(c2[nH]cnc2n1)N3CCCC3 27a_100000188435_100000764887 [0,1,0,0,1,0|0,0,2]=4 1072 B17R3.104 Nc1nc(c2nc[nH]c2n1)C3=CCCC3 271570a_100000089523_200000049598 [0,1,0,0,1,0|1,0,1]=4 1073 B17R3.104 Nc1nc(c2nc[nH]c2n1)C3=CCOC3 271570a_100009872500_200000049598 [0,1,0,0,1,0|1,0,1]=4 1074 B17R3.104 Nc1nc(c2nc[nH]c2n1)C3=COCC3 271570a_100000118173_200000049598 [0,1,0,0,1,0|1,0,1]=4 1075 B17R3.135 Cc1cc2c(ncnc2[nH]1)N3CCCC3 27a_100000188435_100009847220 [0,1,0,0,1,0|1,0,0]=3 1076 B17R3.135 Cc1cc2c(ncnc2[nH]1)N3CCSC3 27a_100011215254_100009847220 [0,1,0,0,1,0|1,1,0]=4 1077 B17R3.135 Cc1cc2c(ncnc2s1)N3CCCC3 27a_100000188435_100000753035 [0,1,0,0,1,0|2,0,0]=4 1078 B17R3.135 Cc1cc2ncnc(c2s1)N3CCCC3 27a_100000188435_200009846640 [0,1,0,0,1,0|2,0,0]=4 1079 B17R3.2637 CC1SCCN1c2ccnc3c2nc[nH]3 27a_200011216479_100009820729 [0,1,0,0,1,0|1,1,0]=4 1080 B17R3.2637 CC1SCCN1c2ncnc3c2ncs3 27a_200011216479_100009860286 [0,1,0,0,1,0|1,1,0]=4 1081 B17R3.2637 C[C@@H]1CCCN1c2ccnc3c2nc[nH]3 27a_100015189458_100009820729 [0,1,0,0,1,0|1,0,0]=3 1082 B17R3.2637 C[C@@H]1CCCN1c2ccnc3c2nn[nH]3 27a_100015189458_100009853804 [0,1,0,0,1,0|2,0,0]=4 1083 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2CCN3 27a_100015189458_200000104052 [0,1,0,0,1,0|1,0,1]=4 1084 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2[nH]cc3 27a_100015189458_100000084117 [0,1,0,0,1,0|1,0,1]=4 1085 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2[nH]cn3 27a_100015189458_100011215200 [0,1,0,0,1,0|0,0,2]=4 1086 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2cco3 27a_100015189458_100000094286 [0,1,0,0,1,0|2,0,0]=4 1087 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2ccs3 27a_100015189458_100000183654 [0,1,0,0,1,0|2,0,0]=4 1088 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2cn[nH]3 27a_100015189458_100000735611 [0,1,0,0,1,0|2,0,0]=4 1089 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2ncs3 27a_100015189458_100009860286 [0,1,0,0,1,0|1,0,0]=3 1090 B17R3.2637 C[C@@H]1CCCN1c2ncnc3c2scc3 27a_100015189458_100000234879 [0,1,0,0,1,0|2,0,0]=4 1091 B17R3.2637 C[C@H]1CCCN1c2ccnc3c2nc[nH]3 27a_100020605311_100009820729 [0,1,0,0,1,0|1,0,0]=3 1092 B17R3.2637 C[C@H]1CCCN1c2ccnc3c2nn[nH]3 27a_100020605311_100009853804 [0,1,0,0,1,0|2,0,0]=4 1093 B17R3.2637 C[C@H]1CCCN1c2ncnc3c2CCN3 27a_100020605311_200000104052 [0,1,0,0,1,0|1,0,1]=4 1094 B17R3.2637 C[C@H]1CCCN1c2ncnc3c2[nH]cc3 27a_100020605311_100000084117 [0,1,0,0,1,0|1,0,1]=4 1095 B17R3.2637 C[C@H]1CCCN1c2ncnc3c2[nH]cn3 27a_100020605311_100011215200 [0,1,0,0,1,0|0,0,2]=4 1096 B17R3.2637 C[C@H]1CCCN1c2ncnc3c2cco3 27a_100020605311_100000094286 [0,1,0,0,1,0|2,0,0]=4 1097 B17R3.2637 C[C@H]1CCCN1c2ncnc3c2ccs3 27a_100020605311_100000183654 [0,1,0,0,1,0|2,0,0]=4 1098 B17R3.2637 C[C@H]1CCCN1c2ncnc3c2cn[nH]3 27a_100020605311_100000735611 [0,1,0,0,1,0|2,0,0]=4 1099 B17R3.2637 C[C@H]1CCCN1c2ncnc3c2ncs3 27a_100020605311_100009860286 [0,1,0,0,1,0|1,0,0]=3 1100 B17R3.2637 C[C@H]1CCCN1c2ncnc3c2scc3 27a_100020605311_100000234879 [0,1,0,0,1,0|2,0,0]=4 1101 B17R3.17527 C[C@@H]1CCN(C1)c2ccnc3c2nc[nH]3 27a_100016987628_100009820729 [0,1,0,0,1,0|1,0,0]=3 1102 B17R3.17527 C[C@@H]1CCN(C1)c2ccnc3c2nn[nH]3 27a_100016987628_100009853804 [0,1,0,0,1,0|2,0,0]=4 1103 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2CCN3 27a_100016987628_200000104052 [0,1,0,0,1,0|1,0,1]=4 1104 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2[nH]cc3 27a_100016987628_100000084117 [0,1,0,0,1,0|1,0,1]=4 1105 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2[nH]cn3 27a_100016987628_100011215200 [0,1,0,0,1,0|0,0,2]=4 1106 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2cco3 27a_100016987628_100000094286 [0,1,0,0,1,0|2,0,0]=4 1107 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2ccs3 27a_100016987628_100000183654 [0,1,0,0,1,0|2,0,0]=4 1108 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2cn[nH]3 27a_100016987628_100000735611 [0,1,0,0,1,0|2,0,0]=4 1109 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2ncs3 27a_100016987628_100009860286 [0,1,0,0,1,0|1,0,0]=3 1110 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2scc3 27a_100016987628_100000234879 [0,1,0,0,1,0|2,0,0]=4 1111 B17R3.17527 F[C@H]1CCN(C1)c2ccnc3c2nc[nH]3 27a_100015203821_100009820729 [0,1,0,0,1,0|1,0,0]=3 1112 B17R3.17527 F[C@H]1CCN(C1)c2ccnc3c2nn[nH]3 27a_100015203821_100009853804 [0,1,0,0,1,0|2,0,0]=4 1113 B17R3.17527 F[C@H]1CCN(C1)c2ncnc3c2CCN3 27a_100015203821_200000104052 [0,1,0,0,1,0|1,0,1]=4 1114 B17R3.17527 F[C@H]1CCN(C1)c2ncnc3c2[nH]cc3 27a_100015203821_100000084117 [0,1,0,0,1,0|1,0,1]=4 1115 B17R3.17527 F[C@H]1CCN(C1)c2ncnc3c2[nH]cn3 27a_100015203821_100011215200 [0,1,0,0,1,0|0,0,2]=4 1116 B17R3.17527 F[C@H]1CCN(C1)c2ncnc3c2cco3 27a_100015203821_100000094286 [0,1,0,0,1,0|2,0,0]=4 1117 B17R3.17527 F[C@H]1CCN(C1)c2ncnc3c2ccs3 27a_100015203821_100000183654 [0,1,0,0,1,0|2,0,0]=4 1118 B17R3.17527 F[C@H]1CCN(C1)c2ncnc3c2cn[nH]3 27a_100015203821_100000735611 [0,1,0,0,1,0|2,0,0]=4 1119 B17R3.17527 F[C@H]1CCN(C1)c2ncnc3c2ncs3 27a_100015203821_100009860286 [0,1,0,0,1,0|1,0,0]=3 1120 B17R3.17527 F[C@H]1CCN(C1)c2ncnc3c2scc3 27a_100015203821_100000234879 [0,1,0,0,1,0|2,0,0]=4 1121 B17R3.17527 OC1CCN(C1)c2ccnc3c2nc[nH]3 27a_100011215560_100009820729 [0,1,0,0,1,0|1,0,0]=3 1122 B17R3.17527 OC1CCN(C1)c2ccnc3c2nn[nH]3 27a_100011215560_100009853804 [0,1,0,0,1,0|2,0,0]=4 1123 B17R3.17527 OC1CCN(C1)c2ncnc3c2CCN3 27a_100011215560_200000104052 [0,1,0,0,1,0|1,0,1]=4 1124 B17R3.17527 OC1CCN(C1)c2ncnc3c2[nH]cc3 27a_100011215560_100000084117 [0,1,0,0,1,0|1,0,1]=4 1125 B17R3.17527 OC1CCN(C1)c2ncnc3c2[nH]cn3 27a_100011215560_100011215200 [0,1,0,0,1,0|0,0,2]=4 1126 B17R3.17527 OC1CCN(C1)c2ncnc3c2cco3 27a_100011215560_100000094286 [0,1,0,0,1,0|2,0,0]=4 1127 B17R3.17527 OC1CCN(C1)c2ncnc3c2ccs3 27a_100011215560_100000183654 [0,1,0,0,1,0|2,0,0]=4 1128 B17R3.17527 OC1CCN(C1)c2ncnc3c2cn[nH]3 27a_100011215560_100000735611 [0,1,0,0,1,0|2,0,0]=4 1129 B17R3.17527 OC1CCN(C1)c2ncnc3c2ncs3 27a_100011215560_100009860286 [0,1,0,0,1,0|1,0,0]=3 1130 B17R3.17527 OC1CCN(C1)c2ncnc3c2scc3 27a_100011215560_100000234879 [0,1,0,0,1,0|2,0,0]=4 1131 B17R3.30068 Cc1c[nH]c2c1c(ncn2)N3CCCC3 27a_100000188435_100000092391 [0,1,0,0,1,0|1,0,0]=3 1132 B17R3.30068 Cc1c[nH]c2c1c(ncn2)N3CCSC3 27a_100011215254_100000092391 [0,1,0,0,1,0|1,1,0]=4 1133 B17R3.30068 Cc1csc2c1c(ncn2)N3CCCC3 27a_100000188435_100000040732 [0,1,0,0,1,0|2,0,0]=4 1134 B17R3.30068 Cn1ccc2c1c(ncn2)N3CCCC3 27a_100000188435_100009847513 [0,1,0,0,1,0|1,0,1]=4 1135 B17R3.30068 Cn1cnc2c1c(ncn2)N3CCCC3 27a_100000188435_100000078800 [0,1,0,0,1,0|0,0,2]=4 1136 B17R3.30068 Fc1c[nH]c2c1c(ncn2)N3CCCC3 27a_100000188435_100009880486 [0,1,0,0,1,0|1,0,0]=3 1137 B17R3.30068 Fc1c[nH]c2c1c(ncn2)N3CCSC3 27a_100011215254_100009880486 [0,1,0,0,1,0|1,1,0]=4 1138 B19R3.97 CC1CCCCN1c2ncnc3c2nccc3 27a_100000211376_100000063688 [0,1,0,0,0,1|2,0,0]=4 1139 B19R3.97 C[C@H]1COCCN1c2ccnc3c2cncc3 27a_100009815349_100000095135 [0,1,0,0,0,1|2,0,0]=4 1140 B19R3.97 C[C@H]1COCCN1c2ccnc3c2nccn3 27a_100009815349_100010783457 [0,1,0,0,0,1|1,0,1]=4 1141 B19R3.97 C[C@H]1COCCN1c2nccc3c2cncc3 27a_100009815349_100000116921 [0,1,0,0,0,1|2,0,0]=4 1142 B19R3.97 C[C@H]1COCCN1c2nccc3c2nccc3 27a_100009815349_100010063729 [0,1,0,0,0,1|2,0,0]=4 1143 B19R3.97 C[C@H]1COCCN1c2nccc3c2nccn3 27a_100009815349_100010063732 [0,1,0,0,0,1|1,0,1]=4 1144 B19R3.97 C[C@H]1COCCN1c2ncnc3c2cccc3 27a_100009815349_100000217608 [0,1,0,0,0,1|2,0,0]=4 1145 B19R3.97 C[C@H]1COCCN1c2ncnc3c2cccn3 27a_100009815349_100000026734 [0,1,0,0,0,1|1,0,1]=4 1146 B19R3.97 C[C@H]1COCCN1c2ncnc3c2ccnc3 27a_100009815349_100000098430 [0,1,0,0,0,1|1,0,1]=4 1147 B19R3.97 C[C@H]1COCCN1c2ncnc3c2nccc3 27a_100009815349_100000063688 [0,1,0,0,0,1|1,0,0]=3 1148 B19R3.102 Cc1ccc2c(ncnc2c1)N3CCOCC3 27a_100015191051_100000099684 [0,1,0,0,0,1|2,0,0]=4 1149 B19R3.102 Fc1ccc2c(ncnc2c1)N3CCOCC3 27a_100015191051_100000230349 [0,1,0,0,0,1|2,0,0]=4 1150 B19R3.102 Fc1cnc2c(ccnc2c1)N3CCOCC3 27a_100015191051_100011072215 [0,1,0,0,0,1|2,0,0]=4 1151 B19R3.294 Cc1nc(c2ccccc2n1)N3CCOCC3 27a_100015191051_100000230251 [0,1,0,0,0,1|2,0,0]=4 1152 B19R3.294 Nc1cc2cccnc2c(n1)N3CCOCC3 27a_100015191051_100010205410 [0,1,0,0,0,1|2,0,0]=4 1153 B19R3.294 Oc1nc(c2ccccc2n1)N3CCOCC3 271570a_203496583355_200000260935 [0,1,0,0,0,1|2,0,0]=4 1154 B19R3.421 C=C1CCN(CC1)c2ncnc3c2nccc3 27a_100000752442_100000063688 [0,1,0,0,0,1|2,0,0]=4 1155 B19R3.421 CC1CCN(CC1)c2ncnc3c2nccc3 27a_100000188429_100000063688 [0,1,0,0,0,1|2,0,0]=4 1156 B19R3.421 CN1CCN(CC1)c2ncnc3c2nccc3 27a_100000188432_100000063688 [0,1,0,0,0,1|2,0,0]=4 1157 B19R3.421 FC1CCN(CC1)c2ncnc3c2nccc3 27a_100015193889_100000063688 [0,1,0,0,0,1|2,0,0]=4 1158 B19R3.421 O=S1CCN(CC1)c2ncnc3c2nccc3 27a_100000752083_100000063688 [0,1,0,0,0,1|1,1,0]=4 1159 B19R3.421 OC1CCN(CC1)c2ncnc3c2nccc3 27a_100025773856_100000063688 [0,1,0,0,0,1|2,0,0]=4 1160 B19R3.4066 Cc1ccc2nccc(c2n1)N3CCOCC3 27a_100015191051_100009889967 [0,1,0,0,0,1|2,0,0]=4 1161 B19R3.4066 Cc1ccc2ncnc(c2c1)N3CCOCC3 27a_100015191051_100000743341 [0,1,0,0,0,1|2,0,0]=4 1162 B19R3.4066 Fc1ccc2nccc(c2n1)N3CCOCC3 27a_100015191051_100000719316 [0,1,0,0,0,1|2,0,0]=4 1163 B19R3.4066 Fc1ccc2ncnc(c2c1)N3CCOCC3 27a_100015191051_100000743340 [0,1,0,0,0,1|2,0,0]=4 1164 B19R3.8297 Cc1cccc2c1ncnc2N3CCOCC3 27a_100015191051_100000751292 [0,1,0,0,0,1|2,0,0]=4 1165 B19R3.8297 Cc1ccnc2c1nccc2N3CCOCC3 27a_100015191051_200013369187 [0,1,0,0,0,1|2,0,0]=4 1166 B19R3.8297 Fc1cccc2c1ncnc2N3CCOCC3 27a_100015191051_100000693626 [0,1,0,0,0,1|2,0,0]=4 1167 B19R3.8297 O=c1[nH]cnc2c1cccc2N3CCOCC3 27a_100015191051_100000741247 [0,1,0,0,0,1|2,0,0]=4 1168 B19R3.9760 CC1CN(CCO1)c2ccnc3c2cncc3 27a_100000729577_100000095135 [0,1,0,0,0,1|2,0,0]=4 1169 B19R3.9760 CC1CN(CCO1)c2ccnc3c2nccn3 27a_100000729577_100010783457 [0,1,0,0,0,1|1,0,1]=4 1170 B19R3.9760 CC1CN(CCO1)c2nccc3c2cncc3 27a_100000729577_100000116921 [0,1,0,0,0,1|2,0,0]=4 1171 B19R3.9760 CC1CN(CCO1)c2nccc3c2nccc3 27a_100000729577_100010063729 [0,1,0,0,0,1|2,0,0]=4 1172 B19R3.9760 CC1CN(CCO1)c2nccc3c2nccn3 27a_100000729577_100010063732 [0,1,0,0,0,1|1,0,1]=4 1173 B19R3.9760 CC1CN(CCO1)c2ncnc3c2cccc3 27a_100000729577_100000217608 [0,1,0,0,0,1|2,0,0]=4 1174 B19R3.9760 CC1CN(CCO1)c2ncnc3c2cccn3 27a_100000729577_100000026734 [0,1,0,0,0,1|1,0,1]=4 1175 B19R3.9760 CC1CN(CCO1)c2ncnc3c2ccnc3 27a_100000729577_100000098430 [0,1,0,0,0,1|1,0,1]=4 1176 B19R3.9760 CC1CN(CCO1)c2ncnc3c2nccc3 27a_100000729577_100000063688 [0,1,0,0,0,1|1,0,0]=3 1177 B19R3.9760 C[C@H]1CCCN(C1)c2ncnc3c2nccc3 27a_100000717927_100000063688 [0,1,0,0,0,1|2,0,0]=4 1178 B19R3.9760 FC1CCCN(C1)c2ncnc3c2nccc3 27a_100000697950_100000063688 [0,1,0,0,0,1|2,0,0]=4 1179 B19R3.9760 OC1CCCN(C1)c2ncnc3c2nccc3 27a_100000211013_100000063688 [0,1,0,0,0,1|2,0,0]=4 1180 B19R3.150373 Fc1cccc2c1c(ncn2)N3CCOCC3 27a_100015191051_100000743342 [0,1,0,0,0,1|2,0,0]=4 1181 B19R3.9 Cn1ccc2c1ncnc2NC3CCOCC3 27a_100000741149_100000076352 [0,1,0,0,0,1|2,0,0]=4 1182 B19R3.9 Cn1cnc2c1ccnc2NC3CCOCC3 27a_100000741149_100000075535 [0,1,0,0,0,1|2,0,0]=4 1183 B19R3.9 Cn1cnc2c1ncnc2NC3CCCCC3 27a_100000182618_100000058137 [0,1,0,0,0,1|2,0,0]=4 1184 B19R3.9 Cn1cnc2c1ncnc2NC3CCOCC3 27a_100000741149_100000058137 [0,1,0,0,0,1|1,0,0]=3 1185 B19R3.9 Cn1cnc2c1ncnc2NC3CCSCC3 27a_100000748639_100000058137 [0,1,0,0,0,1|1,1,0]=4 1186 B19R3.9 Cn1cnc2c1ncnc2SC3CCCCC3 62a_100000210327_100000058137 [0,1,0,0,0,1|2,0,0]=4 1187 B19R3.284 Cc1nc(c2cc[nH]c2n1)NC3CCOCC3 27a_100000741149_100000092993 [0,1,0,0,0,1|2,0,0]=4 1188 B19R3.284 Fc1nc(c2nc[nH]c2n1)NC3CCCCC3 27a_100000182618_100000061921 [0,1,0,0,0,1|2,0,0]=4 1189 B19R3.284 Fc1nc(c2nc[nH]c2n1)NC3CCOCC3 27a_100000741149_100000061921 [0,1,0,0,0,1|1,0,0]=3 1190 B19R3.284 Fc1nc(c2nc[nH]c2n1)NC3CCSCC3 27a_100000748639_100000061921 [0,1,0,0,0,1|1,1,0]=4 1191 B19R3.284 Fc1nc(c2nc[nH]c2n1)SC3CCCCC3 62a_100000210327_100000061921 [0,1,0,0,0,1|2,0,0]=4 1192 B19R3.329 Cc1cc2c(ncnc2[nH]1)NC3CCOCC3 27a_100000741149_100009847220 [0,1,0,0,0,1|2,0,0]=4 1193 B19R3.5502 F[C@H]1COCC[C@@H]1Nc2ccnc3c2nc[nH]3 27a_100016994078_100009820729 [0,1,0,0,0,1|2,0,0]=4 1194 B19R3.5502 F[C@H]1COCC[C@@H]1Nc2ncnc3c2ncs3 27a_100016994078_100009860286 [0,1,0,0,0,1|2,0,0]=4 1195 B19R3.5502 O[C@H]1COCC[C@H]1Nc2ccnc3c2nc[nH]3 27a_100016994285_100009820729 [0,1,0,0,0,1|2,0,0]=4 1196 B19R3.5502 O[C@H]1COCC[C@H]1Nc2ncnc3c2ncs3 27a_100016994285_100009860286 [0,1,0,0,0,1|2,0,0]=4 1197 B19R3.86278 Cc1c[nH]c2c1c(ncn2)NC3CCOCC3 27a_100000741149_100000092391 [0,1,0,0,0,1|2,0,0]=4 1198 B19R3.86278 Fc1c[nH]c2c1c(ncn2)NC3CCOCC3 27a_100000741149_100009880486 [0,1,0,0,0,1|2,0,0]=4 1199 B19R3.1799921 CN(c1ccnc2c1nc[nH]2)C3CCOCC3 27a_100020587155_100009820729 [0,1,0,0,0,1|2,0,0]=4 1200 B19R3.1799921 CN(c1ncnc2c1ncs2)C3CCOCC3 27a_100020587155_100009860286 [0,1,0,0,0,1|2,0,0]=4 1201 B19R3.1799921 O=C(c1cccc2c1nc[nH]2)N3CCOCC3 240690a_100015191051_100000691283 [0,1,0,0,0,1|2,0,0]=4 1202 B19R3.1799921 O=C(c1cccc2c1nc[nH]2)N3CCOCC3 527a_100015191051_100000691283 [0,1,0,0,0,1|2,0,0]=4 1203 B19R3.2245525 CC1(CCOCC1)Nc2ccnc3c2nc[nH]3 27a_100000692449_100009820729 [0,1,0,0,0,1|2,0,0]=4 1204 B19R3.2245525 CC1(CCOCC1)Nc2ncnc3c2ncs3 27a_100000692449_100009860286 [0,1,0,0,0,1|2,0,0]=4 1205 B19R3.2349 Cc1csc2c1ncnc2N3CCCOCC3 27a_100000685342_100000041020 [0,1,0,0,0,1|2,0,0]=4 1206 B19R3.2349 Cn1ccc2c1ccnc2N3CCCOCC3 27a_100000685342_100000048735 [0,1,0,0,0,1|2,0,0]=4 1207 B19R3.2349 Cn1ccc2c1nccc2N3CCCOCC3 27a_100000685342_100010168893 [0,1,0,0,0,1|2,0,0]=4 1208 B19R3.2349 Cn1ccc2c1ncnc2N3CCCCCC3 27a_100000185865_100000076352 [0,1,0,0,0,1|2,0,0]=4 1209 B19R3.2349 Cn1ccc2c1ncnc2N3CCCOCC3 27a_100000685342_100000076352 [0,1,0,0,0,1|1,0,0]=3 1210 B19R3.2349 Cn1cnc2c1ccnc2N3CCCCCC3 27a_100000185865_100000075535 [0,1,0,0,0,1|2,0,0]=4 1211 B19R3.2349 Cn1cnc2c1ccnc2N3CCCOCC3 27a_100000685342_100000075535 [0,1,0,0,0,1|1,0,0]=3 1212 B19R3.2349 Cn1cnc2c1ncnc2C3=CCCCCC3 271570a_200009888920_100000058137 [0,1,0,0,0,1|2,0,0]=4 1213 B19R3.2349 Cn1cnc2c1ncnc2N3CCCCCC3 27a_100000185865_100000058137 [0,1,0,0,0,1|1,0,0]=3 1214 B19R3.2349 Cn1cnc2c1ncnc2N3CCCOCC3 27a_100000685342_100000058137 [0,1,0,0,0,1|0,0,0]=2 1215 B19R3.2349 Cn1ncc2c1ncnc2N3CCCOCC3 27a_100000685342_100000242733 [0,1,0,0,0,1|2,0,0]=4 1216 B19R3.156707 Cc1nc(c2cc[nH]c2n1)N3CCCCCC3 27a_100000185865_100000092993 [0,1,0,0,0,1|2,0,0]=4 1217 B19R3.156707 Cc1nc(c2cc[nH]c2n1)N3CCCOCC3 27a_100000685342_100000092993 [0,1,0,0,0,1|1,0,0]=3 1218 B19R3.156707 Cc1nc(c2ccsc2n1)N3CCCOCC3 27a_100000685342_100000183124 [0,1,0,0,0,1|2,0,0]=4 1219 B19R3.156707 Cc1nc(c2cn[nH]c2n1)N3CCCOCC3 27a_100000685342_100000745003 [0,1,0,0,0,1|2,0,0]=4 1220 B19R3.156707 Cc1nc(c2sccc2n1)N3CCCOCC3 27a_100000685342_100012000418 [0,1,0,0,0,1|2,0,0]=4 1221 B19R3.156707 Fc1nc(c2nc[nH]c2n1)N3CCCCCC3 27a_100000185865_100000061921 [0,1,0,0,0,1|1,0,0]=3 1222 B19R3.156707 Fc1nc(c2nc[nH]c2n1)N3CCCOCC3 27a_100000685342_100000061921 [0,1,0,0,0,1|0,0,0]=2 1223 B19R3.156707 Nc1nc(c2[nH]cnc2n1)N3CCCOCC3 27a_100000685342_100000764887 [0,1,0,0,0,1|0,0,2]=4 1224 B19R3.156707 Nc1nc(c2nc[nH]c2n1)C3=CCCCCC3 271570a_200009888920_200000049598 [0,1,0,0,0,1|2,0,0]=4 1225 B19R3.181097 Cc1cc2c(ncnc2[nH]1)N3CCCCCC3 27a_100000185865_100009847220 [0,1,0,0,0,1|2,0,0]=4 1226 B19R3.181097 Cc1cc2c(ncnc2[nH]1)N3CCCOCC3 27a_100000685342_100009847220 [0,1,0,0,0,1|1,0,0]=3 1227 B19R3.181097 Cc1cc2c(ncnc2s1)N3CCCOCC3 27a_100000685342_100000753035 [0,1,0,0,0,1|2,0,0]=4 1228 B19R3.181097 Cc1cc2ncnc(c2s1)N3CCCOCC3 27a_100000685342_200009846640 [0,1,0,0,0,1|2,0,0]=4 1229 B19R3.2337419 OC1CCCCN(C1)c2ccnc3c2nc[nH]3 27a_100025706797_100009820729 [0,1,0,0,0,1|2,0,0]=4 1230 B19R3.2337419 OC1CCCCN(C1)c2ncnc3c2ncs3 27a_100025706797_100009860286 [0,1,0,0,0,1|2,0,0]=4 1231 B19R3.2337419 O[C@H]1COCCN(C1)c2ccnc3c2nc[nH]3 27a_100016073750_100009820729 [0,1,0,0,0,1|1,0,0]=3 1232 B19R3.2337419 O[C@H]1COCCN(C1)c2ccnc3c2nn[nH]3 27a_100016073750_100009853804 [0,1,0,0,0,1|2,0,0]=4 1233 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2CCN3 27a_100016073750_200000104052 [0,1,0,0,0,1|1,0,1]=4 1234 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2[nH]cc3 27a_100016073750_100000084117 [0,1,0,0,0,1|1,0,1]=4 1235 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2[nH]cn3 27a_100016073750_100011215200 [0,1,0,0,0,1|0,0,2]=4 1236 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2cco3 27a_100016073750_100000094286 [0,1,0,0,0,1|2,0,0]=4 1237 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2ccs3 27a_100016073750_100000183654 [0,1,0,0,0,1|2,0,0]=4 1238 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2cn[nH]3 27a_100016073750_100000735611 [0,1,0,0,0,1|2,0,0]=4 1239 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2ncs3 27a_100016073750_100009860286 [0,1,0,0,0,1|1,0,0]=3 1240 B19R3.2337419 O[C@H]1COCCN(C1)c2ncnc3c2scc3 27a_100016073750_100000234879 [0,1,0,0,0,1|2,0,0]=4 1241 B19R3.2342854 CC1CCCN(CC1)c2ccnc3c2nc[nH]3 27a_100025706717_100009820729 [0,1,0,0,0,1|2,0,0]=4 1242 B19R3.2342854 CC1CCCN(CC1)c2ncnc3c2ncs3 27a_100025706717_100009860286 [0,1,0,0,0,1|2,0,0]=4 1243 B19R3.2342854 CN1CCCN(CC1)c2ccnc3c2nc[nH]3 27a_100000211313_100009820729 [0,1,0,0,0,1|2,0,0]=4 1244 B19R3.2342854 CN1CCCN(CC1)c2ncnc3c2ncs3 27a_100000211313_100009860286 [0,1,0,0,0,1|2,0,0]=4 1245 B19R3.2342854 O=C1CCN(CCN1)c2ccnc3c2nc[nH]3 27a_100000698595_100009820729 [0,1,0,0,0,1|2,0,0]=4 1246 B19R3.2342854 O=C1CCN(CCN1)c2ncnc3c2ncs3 27a_100000698595_100009860286 [0,1,0,0,0,1|2,0,0]=4 1247 B19R3.2342854 OC1CCCN(CC1)c2ccnc3c2nc[nH]3 27a_100015186869_100009820729 [0,1,0,0,0,1|2,0,0]=4 1248 B19R3.2342854 OC1CCCN(CC1)c2ncnc3c2ncs3 27a_100015186869_100009860286 [0,1,0,0,0,1|2,0,0]=4 1249 B19R3.7689866 Cc1c[nH]c2c1c(ncn2)N3CCCCCC3 27a_100000185865_100000092391 [0,1,0,0,0,1|2,0,0]=4 1250 B19R3.7689866 Cc1c[nH]c2c1c(ncn2)N3CCCOCC3 27a_100000685342_100000092391 [0,1,0,0,0,1|1,0,0]=3 1251 B19R3.7689866 Cc1csc2c1c(ncn2)N3CCCOCC3 27a_100000685342_100000040732 [0,1,0,0,0,1|2,0,0]=4 1252 B19R3.7689866 Cn1ccc2c1c(ncn2)N3CCCOCC3 27a_100000685342_100009847513 [0,1,0,0,0,1|1,0,1]=4 1253 B19R3.7689866 Cn1cnc2c1c(ncn2)N3CCCOCC3 27a_100000685342_100000078800 [0,1,0,0,0,1|0,0,2]=4 1254 B19R3.7689866 Fc1c[nH]c2c1c(ncn2)N3CCCCCC3 27a_100000185865_100009880486 [0,1,0,0,0,1|2,0,0]=4 1255 B19R3.7689866 Fc1c[nH]c2c1c(ncn2)N3CCCOCC3 27a_100000685342_100009880486 [0,1,0,0,0,1|1,0,0]=3 1256 B19R3.2 CCn1cnc2c1ncnc2C3=CCOCC3 271570a_100000070234_100000058139 [0,2,0,0,0,0|1,0,1]=4 1257 B19R3.2 CCn1cnc2c1ncnc2N3CC=CCC3 27a_100000698166_100000058139 [0,2,0,0,0,0|1,0,1]=4 1258 B19R3.2 CCn1cnc2c1ncnc2N3CCOCC3 27a_100015191051_100000058139 [0,2,0,0,0,0|0,0,0]=2 1259 B19R3.2 CCn1cnc2c1ncnc2N3CCSCC3 27a_100000737611_100000058139 [0,2,0,0,0,0|0,1,0]=3 1260 B19R3.5829 Cc1cc2c(ncn2C)c(n1)N3CCOCC3 27a_100015191051_100000091626 [0,2,0,0,0,0|1,0,0]=3 1261 B19R3.5829 Cc1cc2c(ncn2C)c(n1)N3CCSCC3 27a_100000737611_100000091626 [0,2,0,0,0,0|1,1,0]=4 1262 B19R3.5829 Cc1nc(c2cnn(c2n1)C)N3CCOCC3 27a_100015191051_100000743007 [0,2,0,0,0,0|2,0,0]=4 1263 B19R3.5829 Cn1cnc2c1nc(nc2C3=CCOCC3)N 271570a_100000070234_100000708713 [0,2,0,0,0,0|1,0,1]=4 1264 B19R3.5829 Cn1cnc2c1nc(nc2N3CC=CCC3)N 27a_100000698166_100000708713 [0,2,0,0,0,0|1,0,1]=4 1265 B19R3.5829 Cn1cnc2c1nc(nc2N3CCOCC3)N 27a_100015191051_100000708713 [0,2,0,0,0,0|0,0,0]=2 1266 B19R3.5829 Cn1cnc2c1nc(nc2N3CCSCC3)N 27a_100000737611_100000708713 [0,2,0,0,0,0|0,1,0]=3 1267 B19R3.5829 Cn1ncc2c1nc(nc2N3CCOCC3)N 27a_100015191051_100000144275 [0,2,0,0,0,0|2,0,0]=4 1268 B19R3.57968 CC1CCCCN1c2nccc3c2ncn3C 27a_100000211376_100000075535 [0,2,0,0,0,0|2,0,0]=4 1269 B19R3.57968 CC1CCCCN1c2ncnc3c2ccn3C 27a_100000211376_100000076352 [0,2,0,0,0,0|2,0,0]=4 1270 B19R3.57968 CC1CCCCN1c2ncnc3c2ncn3C 27a_100000211376_100000058137 [0,2,0,0,0,0|1,0,0]=3 1271 B19R3.57968 C[C@H]1COCCN1c2ccnc3c2ccn3C 27a_100009815349_100010168893 [0,2,0,0,0,0|2,0,0]=4 1272 B19R3.57968 C[C@H]1COCCN1c2nccc3c2ccn3C 27a_100009815349_100000048735 [0,2,0,0,0,0|2,0,0]=4 1273 B19R3.57968 C[C@H]1COCCN1c2nccc3c2ncn3C 27a_100009815349_100000075535 [0,2,0,0,0,0|1,0,0]=3 1274 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2ccn3C 27a_100009815349_100000076352 [0,2,0,0,0,0|1,0,0]=3 1275 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2cnn3C 27a_100009815349_100000242733 [0,2,0,0,0,0|2,0,0]=4 1276 B19R3.57968 C[C@H]1COCCN1c2ncnc3c2ncn3C 27a_100009815349_100000058137 [0,2,0,0,0,0|0,0,0]=2 1277 B19R3.57968 Cc1csc2c1ncnc2N3CCOC[C@@H]3C 27a_100009815349_100000041020 [0,2,0,0,0,0|2,0,0]=4 1278 B19R3.239595 C=C1CCN(CC1)c2nccc3c2ncn3C 27a_100000752442_100000075535 [0,2,0,0,0,0|2,0,0]=4 1279 B19R3.239595 C=C1CCN(CC1)c2ncnc3c2ccn3C 27a_100000752442_100000076352 [0,2,0,0,0,0|2,0,0]=4 1280 B19R3.239595 C=C1CCN(CC1)c2ncnc3c2ncn3C 27a_100000752442_100000058137 [0,2,0,0,0,0|1,0,0]=3 1281 B19R3.239595 CC1=CCN(CC1)c2ncnc3c2ncn3C 27a_100000693516_100000058137 [0,2,0,0,0,0|1,0,1]=4 1282 B19R3.239595 CC1CCN(CC1)c2nccc3c2ncn3C 27a_100000188429_100000075535 [0,2,0,0,0,0|2,0,0]=4 1283 B19R3.239595 CC1CCN(CC1)c2ncnc3c2ccn3C 27a_100000188429_100000076352 [0,2,0,0,0,0|2,0,0]=4 1284 B19R3.239595 CC1CCN(CC1)c2ncnc3c2ncn3C 27a_100000188429_100000058137 [0,2,0,0,0,0|1,0,0]=3 1285 B19R3.239595 CN1CCN(CC1)c2nccc3c2ncn3C 27a_100000188432_100000075535 [0,2,0,0,0,0|2,0,0]=4 1286 B19R3.239595 CN1CCN(CC1)c2ncnc3c2ccn3C 27a_100000188432_100000076352 [0,2,0,0,0,0|2,0,0]=4 1287 B19R3.239595 CN1CCN(CC1)c2ncnc3c2ncn3C 27a_100000188432_100000058137 [0,2,0,0,0,0|1,0,0]=3 1288 B19R3.239595 Cn1ccc2c1ncnc2N3CCC(CC3)F 27a_100015193889_100000076352 [0,2,0,0,0,0|2,0,0]=4 1289 B19R3.239595 Cn1ccc2c1ncnc2N3CCC(CC3)O 27a_100025773856_100000076352 [0,2,0,0,0,0|2,0,0]=4 1290 B19R3.239595 Cn1ccc2c1ncnc2N3CCS(=O)CC3 27a_100000752083_100000076352 [0,2,0,0,0,0|1,1,0]=4 1291 B19R3.239595 Cn1cnc2c1ccnc2N3CCC(CC3)F 27a_100015193889_100000075535 [0,2,0,0,0,0|2,0,0]=4 1292 B19R3.239595 Cn1cnc2c1ccnc2N3CCC(CC3)O 27a_100025773856_100000075535 [0,2,0,0,0,0|2,0,0]=4 1293 B19R3.239595 Cn1cnc2c1ccnc2N3CCS(=O)CC3 27a_100000752083_100000075535 [0,2,0,0,0,0|1,1,0]=4 1294 B19R3.239595 Cn1cnc2c1ncnc2N3CCC(CC3)F 27a_100015193889_100000058137 [0,2,0,0,0,0|1,0,0]=3 1295 B19R3.239595 Cn1cnc2c1ncnc2N3CCC(CC3)O 27a_100025773856_100000058137 [0,2,0,0,0,0|1,0,0]=3 1296 B19R3.239595 Cn1cnc2c1ncnc2N3CCS(=O)CC3 27a_100000752083_100000058137 [0,2,0,0,0,0|0,1,0]=3 1297 B19R3.2145874 CC1=CCCN(C1)c2ncnc3c2ncn3C 27a_100000725631_100000058137 [0,2,0,0,0,0|1,0,1]=4 1298 B19R3.2145874 CC1CN(CCO1)c2ccnc3c2ccn3C 27a_100000729577_100010168893 [0,2,0,0,0,0|2,0,0]=4 1299 B19R3.2145874 CC1CN(CCO1)c2nccc3c2ccn3C 27a_100000729577_100000048735 [0,2,0,0,0,0|2,0,0]=4 1300 B19R3.2145874 CC1CN(CCO1)c2nccc3c2ncn3C 27a_100000729577_100000075535 [0,2,0,0,0,0|1,0,0]=3 1301 B19R3.2145874 CC1CN(CCO1)c2ncnc3c2ccn3C 27a_100000729577_100000076352 [0,2,0,0,0,0|1,0,0]=3 1302 B19R3.2145874 CC1CN(CCO1)c2ncnc3c2cnn3C 27a_100000729577_100000242733 [0,2,0,0,0,0|2,0,0]=4 1303 B19R3.2145874 CC1CN(CCO1)c2ncnc3c2ncn3C 27a_100000729577_100000058137 [0,2,0,0,0,0|0,0,0]=2 1304 B19R3.2145874 C[C@H]1CCCN(C1)c2nccc3c2ncn3C 27a_100000717927_100000075535 [0,2,0,0,0,0|2,0,0]=4 1305 B19R3.2145874 C[C@H]1CCCN(C1)c2ncnc3c2ccn3C 27a_100000717927_100000076352 [0,2,0,0,0,0|2,0,0]=4 1306 B19R3.2145874 C[C@H]1CCCN(C1)c2ncnc3c2ncn3C 27a_100000717927_100000058137 [0,2,0,0,0,0|1,0,0]=3 1307 B19R3.2145874 Cc1csc2c1ncnc2N3CCOC(C3)C 27a_100000729577_100000041020 [0,2,0,0,0,0|2,0,0]=4 1308 B19R3.2145874 Cn1ccc2c1ncnc2N3CCCC(C3)F 27a_100000697950_100000076352 [0,2,0,0,0,0|2,0,0]=4 1309 B19R3.2145874 Cn1ccc2c1ncnc2N3CCCC(C3)O 27a_100000211013_100000076352 [0,2,0,0,0,0|2,0,0]=4 1310 B19R3.2145874 Cn1cnc2c1ccnc2N3CCCC(C3)F 27a_100000697950_100000075535 [0,2,0,0,0,0|2,0,0]=4 1311 B19R3.2145874 Cn1cnc2c1ccnc2N3CCCC(C3)O 27a_100000211013_100000075535 [0,2,0,0,0,0|2,0,0]=4 1312 B19R3.2145874 Cn1cnc2c1ncnc2N3CCCC(C3)F 27a_100000697950_100000058137 [0,2,0,0,0,0|1,0,0]=3 1313 B19R3.2145874 Cn1cnc2c1ncnc2N3CCCC(C3)O 27a_100000211013_100000058137 [0,2,0,0,0,0|1,0,0]=3 1314 B19R3.2145874 Cn1cnc2c1ncnc2N3CCNC(=O)C3 27a_100000184651_100000058137 [0,2,0,0,0,0|1,0,1]=4 1315 B19R3.506 C=Cc1nc(c2ccsc2n1)N3CCOCC3 271570a_100011290941_100012354567 [0,2,0,0,0,0|2,0,0]=4 1316 B19R3.506 C=Cc1nc(c2nc[nH]c2n1)N3CCOCC3 271570a_100011290941_200025704022 [0,2,0,0,0,0|0,0,0]=2 1317 B19R3.506 C=Cc1nc(c2sccc2n1)N3CCOCC3 271570a_100011290941_100011248183 [0,2,0,0,0,0|2,0,0]=4 1318 B19R3.506 CCc1nc(c2ccsc2n1)N3CCOCC3 27a_100015191051_200000693752 [0,2,0,0,0,0|2,0,0]=4 1319 B19R3.506 CNc1nc(c2ccsc2n1)N3CCOCC3 27a_100102657272_100012354567 [0,2,0,0,0,0|2,0,0]=4 1320 B19R3.506 CNc1nc(c2nc[nH]c2n1)N3CCOCC3 27a_100102657272_200025704022 [0,2,0,0,0,0|0,0,0]=2 1321 B19R3.506 CNc1nc(c2sccc2n1)N3CCOCC3 27a_100102657272_100011248183 [0,2,0,0,0,0|2,0,0]=4 1322 B19R3.506 CSc1nc(c2cc[nH]c2n1)N3CCOCC3 27a_100015191051_100000090414 [0,2,0,0,0,0|1,0,0]=3 1323 B19R3.506 CSc1nc(c2cc[nH]c2n1)N3CCSCC3 27a_100000737611_100000090414 [0,2,0,0,0,0|1,1,0]=4 1324 B19R3.506 CSc1nc(c2ccsc2n1)N3CCOCC3 62a_200000210301_100012354567 [0,2,0,0,0,0|2,0,0]=4 1325 B19R3.506 CSc1nc(c2nc[nH]c2n1)N3CCOCC3 62a_200000210301_200025704022 [0,2,0,0,0,0|0,0,0]=2 1326 B19R3.506 CSc1nc(c2sccc2n1)N3CCOCC3 27a_100015191051_100012339926 [0,2,0,0,0,0|2,0,0]=4 1327 B19R3.506 CSc1nc(c2sccc2n1)N3CCOCC3 62a_200000210301_100011248183 [0,2,0,0,0,0|2,0,0]=4 1328 B19R3.506 CSc1nc(n2nccc2n1)N3CCOCC3 27a_100015191051_100010188542 [0,2,0,0,0,0|2,0,0]=4 1329 B19R3.506 [13CH3]Sc1nc(c2ccsc2n1)N3CCOCC3 62a_200025704644_100012354567 [0,2,0,0,0,0|2,0,0]=4 1330 B19R3.506 [13CH3]Sc1nc(c2nc[nH]c2n1)N3CCOCC3 62a_200025704644_200025704022 [0,2,0,0,0,0|0,0,0]=2 1331 B19R3.506 [13CH3]Sc1nc(c2sccc2n1)N3CCOCC3 62a_200025704644_100011248183 [0,2,0,0,0,0|2,0,0]=4 1332 B19R3.2130831 C=C1CCN(CC1)c2nc(nc3c2cc[nH]3)C 27a_100000752442_100000092993 [0,2,0,0,0,0|2,0,0]=4 1333 B19R3.2130831 C=C1CCN(CC1)c2nc(nc3c2nc[nH]3)F 27a_100000752442_100000061921 [0,2,0,0,0,0|1,0,0]=3 1334 B19R3.2130831 CC1=CCN(CC1)c2nc(nc3c2nc[nH]3)F 27a_100000693516_100000061921 [0,2,0,0,0,0|1,0,1]=4 1335 B19R3.2130831 CC1CCN(CC1)c2nc(nc3c2nc[nH]3)F 27a_100000188429_100000061921 [0,2,0,0,0,0|1,0,0]=3 1336 B19R3.2130831 CN1CCN(CC1)c2nc(nc3c2nc[nH]3)F 27a_100000188432_100000061921 [0,2,0,0,0,0|1,0,0]=3 1337 B19R3.2130831 Cc1nc(c2cc[nH]c2n1)N3CCC(CC3)C 27a_100000188429_100000092993 [0,2,0,0,0,0|2,0,0]=4 1338 B19R3.2130831 Cc1nc(c2cc[nH]c2n1)N3CCC(CC3)F 27a_100015193889_100000092993 [0,2,0,0,0,0|2,0,0]=4 1339 B19R3.2130831 Cc1nc(c2cc[nH]c2n1)N3CCC(CC3)O 27a_100025773856_100000092993 [0,2,0,0,0,0|2,0,0]=4 1340 B19R3.2130831 Cc1nc(c2cc[nH]c2n1)N3CCN(CC3)C 27a_100000188432_100000092993 [0,2,0,0,0,0|2,0,0]=4 1341 B19R3.2130831 Cc1nc(c2cc[nH]c2n1)N3CCS(=O)CC3 27a_100000752083_100000092993 [0,2,0,0,0,0|1,1,0]=4 1342 B19R3.2130831 Fc1nc(c2nc[nH]c2n1)N3CCC(CC3)F 27a_100015193889_100000061921 [0,2,0,0,0,0|1,0,0]=3 1343 B19R3.2130831 O=S1CCN(CC1)c2nc(nc3c2nc[nH]3)F 27a_100000752083_100000061921 [0,2,0,0,0,0|0,1,0]=3 1344 B19R3.2130831 OC1CCN(CC1)c2nc(nc3c2nc[nH]3)F 27a_100025773856_100000061921 [0,2,0,0,0,0|1,0,0]=3 1345 B19R3.2145860 CC1=CCCN(C1)c2nc(nc3c2nc[nH]3)F 27a_100000725631_100000061921 [0,2,0,0,0,0|1,0,1]=4 1346 B19R3.2145860 CC1CN(CCO1)c2nc(nc3c2[nH]cn3)N 27a_100000729577_100000764887 [0,2,0,0,0,0|0,0,2]=4 1347 B19R3.2145860 CC1CN(CCO1)c2nc(nc3c2nc[nH]3)F 27a_100000729577_100000061921 [0,2,0,0,0,0|0,0,0]=2 1348 B19R3.2145860 C[C@H]1CCCN(C1)c2nc(nc3c2nc[nH]3)F 27a_100000717927_100000061921 [0,2,0,0,0,0|1,0,0]=3 1349 B19R3.2145860 Cc1nc(c2cc[nH]c2n1)N3CCCC(C3)F 27a_100000697950_100000092993 [0,2,0,0,0,0|2,0,0]=4 1350 B19R3.2145860 Cc1nc(c2cc[nH]c2n1)N3CCCC(C3)O 27a_100000211013_100000092993 [0,2,0,0,0,0|2,0,0]=4 1351 B19R3.2145860 Cc1nc(c2cc[nH]c2n1)N3CCC[C@@H](C3)C 27a_100000717927_100000092993 [0,2,0,0,0,0|2,0,0]=4 1352 B19R3.2145860 Cc1nc(c2cc[nH]c2n1)N3CCOC(C3)C 27a_100000729577_100000092993 [0,2,0,0,0,0|1,0,0]=3 1353 B19R3.2145860 Cc1nc(c2ccsc2n1)N3CCOC(C3)C 27a_100000729577_100000183124 [0,2,0,0,0,0|2,0,0]=4 1354 B19R3.2145860 Cc1nc(c2cn[nH]c2n1)N3CCOC(C3)C 27a_100000729577_100000745003 [0,2,0,0,0,0|2,0,0]=4 1355 B19R3.2145860 Cc1nc(c2sccc2n1)N3CCOC(C3)C 27a_100000729577_100012000418 [0,2,0,0,0,0|2,0,0]=4 1356 B19R3.2145860 Fc1nc(c2nc[nH]c2n1)N3CCCC(C3)F 27a_100000697950_100000061921 [0,2,0,0,0,0|1,0,0]=3 1357 B19R3.2145860 O=C1CN(CCN1)c2nc(nc3c2nc[nH]3)F 27a_100000184651_100000061921 [0,2,0,0,0,0|1,0,1]=4 1358 B19R3.2145860 OC1CCCN(C1)c2nc(nc3c2nc[nH]3)F 27a_100000211013_100000061921 [0,2,0,0,0,0|1,0,0]=3 1359 B19R3.2370798 CC1CCCCN1c2nc(nc3c2nc[nH]3)F 27a_100000211376_100000061921 [0,2,0,0,0,0|1,0,0]=3 1360 B19R3.2370798 C[C@H]1COCCN1c2nc(nc3c2[nH]cn3)N 27a_100009815349_100000764887 [0,2,0,0,0,0|0,0,2]=4 1361 B19R3.2370798 C[C@H]1COCCN1c2nc(nc3c2nc[nH]3)F 27a_100009815349_100000061921 [0,2,0,0,0,0|0,0,0]=2 1362 B19R3.2370798 Cc1nc(c2cc[nH]c2n1)N3CCCCC3C 27a_100000211376_100000092993 [0,2,0,0,0,0|2,0,0]=4 1363 B19R3.2370798 Cc1nc(c2cc[nH]c2n1)N3CCOC[C@@H]3C 27a_100009815349_100000092993 [0,2,0,0,0,0|1,0,0]=3 1364 B19R3.2370798 Cc1nc(c2ccsc2n1)N3CCOC[C@@H]3C 27a_100009815349_100000183124 [0,2,0,0,0,0|2,0,0]=4 1365 B19R3.2370798 Cc1nc(c2cn[nH]c2n1)N3CCOC[C@@H]3C 27a_100009815349_100000745003 [0,2,0,0,0,0|2,0,0]=4 1366 B19R3.2370798 Cc1nc(c2sccc2n1)N3CCOC[C@@H]3C 27a_100009815349_100012000418 [0,2,0,0,0,0|2,0,0]=4 1367 B19R3.561 CCc1cc2c(ncnc2s1)N3CCOCC3 27a_100015191051_100000183878 [0,2,0,0,0,0|2,0,0]=4 1368 B19R3.4146 Cc1cc2c(ncnc2[nH]1)N3CCCCC3C 27a_100000211376_100009847220 [0,2,0,0,0,0|2,0,0]=4 1369 B19R3.4146 Cc1cc2c(ncnc2[nH]1)N3CCOC[C@@H]3C 27a_100009815349_100009847220 [0,2,0,0,0,0|1,0,0]=3 1370 B19R3.4146 Cc1cc2c(ncnc2s1)N3CCOC[C@@H]3C 27a_100009815349_100000753035 [0,2,0,0,0,0|2,0,0]=4 1371 B19R3.4146 Cc1cc2ncnc(c2s1)N3CCOC[C@@H]3C 27a_100009815349_200009846640 [0,2,0,0,0,0|2,0,0]=4 1372 B19R3.9720 Cc1sc2ncnc(c2c1C)N3CCOCC3 27a_100015191051_100000183246 [0,2,0,0,0,0|2,0,0]=4 1373 B19R3.12746 C=C1CCN(CC1)c2ncnc3c2cc([nH]3)C 27a_100000752442_100009847220 [0,2,0,0,0,0|2,0,0]=4 1374 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCC(CC3)C 27a_100000188429_100009847220 [0,2,0,0,0,0|2,0,0]=4 1375 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCC(CC3)F 27a_100015193889_100009847220 [0,2,0,0,0,0|2,0,0]=4 1376 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCC(CC3)O 27a_100025773856_100009847220 [0,2,0,0,0,0|2,0,0]=4 1377 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCN(CC3)C 27a_100000188432_100009847220 [0,2,0,0,0,0|2,0,0]=4 1378 B19R3.12746 Cc1cc2c(ncnc2[nH]1)N3CCS(=O)CC3 27a_100000752083_100009847220 [0,2,0,0,0,0|1,1,0]=4 1379 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCCC(C3)F 27a_100000697950_100009847220 [0,2,0,0,0,0|2,0,0]=4 1380 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCCC(C3)O 27a_100000211013_100009847220 [0,2,0,0,0,0|2,0,0]=4 1381 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCC[C@@H](C3)C 27a_100000717927_100009847220 [0,2,0,0,0,0|2,0,0]=4 1382 B19R3.181904 Cc1cc2c(ncnc2[nH]1)N3CCOC(C3)C 27a_100000729577_100009847220 [0,2,0,0,0,0|1,0,0]=3 1383 B19R3.181904 Cc1cc2c(ncnc2s1)N3CCOC(C3)C 27a_100000729577_100000753035 [0,2,0,0,0,0|2,0,0]=4 1384 B19R3.181904 Cc1cc2ncnc(c2s1)N3CCOC(C3)C 27a_100000729577_200009846640 [0,2,0,0,0,0|2,0,0]=4 1385 B19R3.2721 N#Cc1cnc2[nH]ccc2c1N3CCOCC3 27a_100015191051_100000097403 [0,2,0,0,0,0|2,0,0]=4 1386 B19R3.2798 C#CC1CCCCN1c2ccnc3c2nc[nH]3 27a_200020621307_100009820729 [0,2,0,0,0,0|2,0,0]=4 1387 B19R3.2798 C#CC1CCCCN1c2ncnc3c2ncs3 27a_200020621307_100009860286 [0,2,0,0,0,0|2,0,0]=4 1388 B19R3.2798 CCC1CCCCN1c2ccnc3c2nc[nH]3 27a_100000210034_100009820729 [0,2,0,0,0,0|2,0,0]=4 1389 B19R3.2798 CCC1CCCCN1c2ncnc3c2ncs3 27a_100000210034_100009860286 [0,2,0,0,0,0|2,0,0]=4 1390 B19R3.2798 CC[C@H]1COCCN1c2ccnc3c2nc[nH]3 27a_100016988097_100009820729 [0,2,0,0,0,0|1,0,0]=3 1391 B19R3.2798 CC[C@H]1COCCN1c2ccnc3c2nn[nH]3 27a_100016988097_100009853804 [0,2,0,0,0,0|2,0,0]=4 1392 B19R3.2798 CC[C@H]1COCCN1c2ncnc3c2CCN3 27a_100016988097_200000104052 [0,2,0,0,0,0|1,0,1]=4 1393 B19R3.2798 CC[C@H]1COCCN1c2ncnc3c2[nH]cc3 27a_100016988097_100000084117 [0,2,0,0,0,0|1,0,1]=4 1394 B19R3.2798 CC[C@H]1COCCN1c2ncnc3c2[nH]cn3 27a_100016988097_100011215200 [0,2,0,0,0,0|0,0,2]=4 1395 B19R3.2798 CC[C@H]1COCCN1c2ncnc3c2cco3 27a_100016988097_100000094286 [0,2,0,0,0,0|2,0,0]=4 1396 B19R3.2798 CC[C@H]1COCCN1c2ncnc3c2ccs3 27a_100016988097_100000183654 [0,2,0,0,0,0|2,0,0]=4 1397 B19R3.2798 CC[C@H]1COCCN1c2ncnc3c2cn[nH]3 27a_100016988097_100000735611 [0,2,0,0,0,0|2,0,0]=4 1398 B19R3.2798 CC[C@H]1COCCN1c2ncnc3c2ncs3 27a_100016988097_100009860286 [0,2,0,0,0,0|1,0,0]=3 1399 B19R3.2798 CC[C@H]1COCCN1c2ncnc3c2scc3 27a_100016988097_100000234879 [0,2,0,0,0,0|2,0,0]=4 1400 B19R3.2798 N#CC1CCCCN1c2ccnc3c2nc[nH]3 27a_100016989756_100009820729 [0,2,0,0,0,0|2,0,0]=4 1401 B19R3.2798 N#CC1CCCCN1c2ncnc3c2ncs3 27a_100016989756_100009860286 [0,2,0,0,0,0|2,0,0]=4 1402 B19R3.2798 OCC1CCCCN1c2ccnc3c2nc[nH]3 27a_100000210821_100009820729 [0,2,0,0,0,0|2,0,0]=4 1403 B19R3.2798 OCC1CCCCN1c2ncnc3c2ncs3 27a_100000210821_100009860286 [0,2,0,0,0,0|2,0,0]=4 1404 B19R3.2798 OC[C@@H]1COCCN1c2ccnc3c2nc[nH]3 27a_100000717676_100009820729 [0,2,0,0,0,0|1,0,0]=3 1405 B19R3.2798 OC[C@@H]1COCCN1c2ccnc3c2nn[nH]3 27a_100000717676_100009853804 [0,2,0,0,0,0|2,0,0]=4 1406 B19R3.2798 OC[C@@H]1COCCN1c2ncnc3c2CCN3 27a_100000717676_200000104052 [0,2,0,0,0,0|1,0,1]=4 1407 B19R3.2798 OC[C@@H]1COCCN1c2ncnc3c2[nH]cc3 27a_100000717676_100000084117 [0,2,0,0,0,0|1,0,1]=4 1408 B19R3.2798 OC[C@@H]1COCCN1c2ncnc3c2[nH]cn3 27a_100000717676_100011215200 [0,2,0,0,0,0|0,0,2]=4 1409 B19R3.2798 OC[C@@H]1COCCN1c2ncnc3c2cco3 27a_100000717676_100000094286 [0,2,0,0,0,0|2,0,0]=4 1410 B19R3.2798 OC[C@@H]1COCCN1c2ncnc3c2ccs3 27a_100000717676_100000183654 [0,2,0,0,0,0|2,0,0]=4 1411 B19R3.2798 OC[C@@H]1COCCN1c2ncnc3c2cn[nH]3 27a_100000717676_100000735611 [0,2,0,0,0,0|2,0,0]=4 1412 B19R3.2798 OC[C@@H]1COCCN1c2ncnc3c2ncs3 27a_100000717676_100009860286 [0,2,0,0,0,0|1,0,0]=3 1413 B19R3.2798 OC[C@@H]1COCCN1c2ncnc3c2scc3 27a_100000717676_100000234879 [0,2,0,0,0,0|2,0,0]=4 1414 B19R3.57928 CC1CCCCN1c2ncnc3c2c(c[nH]3)F 27a_100000211376_100009880486 [0,2,0,0,0,0|2,0,0]=4 1415 B19R3.57928 C[C@H]1COCCN1c2ncnc3c2c(c[nH]3)F 27a_100009815349_100009880486 [0,2,0,0,0,0|1,0,0]=3 1416 B19R3.57928 C[C@H]1COCCN1c2ncnc3c2n(cc3)C 27a_100009815349_100009847513 [0,2,0,0,0,0|1,0,1]=4 1417 B19R3.57928 C[C@H]1COCCN1c2ncnc3c2n(cn3)C 27a_100009815349_100000078800 [0,2,0,0,0,0|0,0,2]=4 1418 B19R3.57928 Cc1c[nH]c2c1c(ncn2)N3CCCCC3C 27a_100000211376_100000092391 [0,2,0,0,0,0|2,0,0]=4 1419 B19R3.57928 Cc1c[nH]c2c1c(ncn2)N3CCOC[C@@H]3C 27a_100009815349_100000092391 [0,2,0,0,0,0|1,0,0]=3 1420 B19R3.57928 Cc1csc2c1c(ncn2)N3CCOC[C@@H]3C 27a_100009815349_100000040732 [0,2,0,0,0,0|2,0,0]=4 1421 B19R3.60112 C[C@H]1CN(CCN1c2ccnc3c2nc[nH]3)C 27a_100012002466_100009820729 [0,2,0,0,0,0|2,0,0]=4 1422 B19R3.60112 C[C@H]1CN(CCN1c2ncnc3c2ncs3)C 27a_100012002466_100009860286 [0,2,0,0,0,0|2,0,0]=4 1423 B19R3.182445 CC1CCCC(N1c2ccnc3c2nc[nH]3)C 27a_100000210447_100009820729 [0,2,0,0,0,0|2,0,0]=4 1424 B19R3.182445 CC1CCCC(N1c2ncnc3c2ncs3)C 27a_100000210447_100009860286 [0,2,0,0,0,0|2,0,0]=4 1425 B19R3.182445 C[C@@H]1COC[C@@H](N1c2ccnc3c2nc[nH]3)C 27a_100103153222_100009820729 [0,2,0,0,0,0|1,0,0]=3 1426 B19R3.182445 C[C@@H]1COC[C@@H](N1c2ccnc3c2nn[nH]3)C 27a_100103153222_100009853804 [0,2,0,0,0,0|2,0,0]=4 1427 B19R3.182445 C[C@@H]1COC[C@@H](N1c2ncnc3c2CCN3)C 27a_100103153222_200000104052 [0,2,0,0,0,0|1,0,1]=4 1428 B19R3.182445 C[C@@H]1COC[C@@H](N1c2ncnc3c2[nH]cc3)C 27a_100103153222_100000084117 [0,2,0,0,0,0|1,0,1]=4 1429 B19R3.182445 C[C@@H]1COC[C@@H](N1c2ncnc3c2[nH]cn3)C 27a_100103153222_100011215200 [0,2,0,0,0,0|0,0,2]=4 1430 B19R3.182445 C[C@@H]1COC[C@@H](N1c2ncnc3c2cco3)C 27a_100103153222_100000094286 [0,2,0,0,0,0|2,0,0]=4 1431 B19R3.182445 C[C@@H]1COC[C@@H](N1c2ncnc3c2ccs3)C 27a_100103153222_100000183654 [0,2,0,0,0,0|2,0,0]=4 1432 B19R3.182445 C[C@@H]1COC[C@@H](N1c2ncnc3c2cn[nH]3)C 27a_100103153222_100000735611 [0,2,0,0,0,0|2,0,0]=4 1433 B19R3.182445 C[C@@H]1COC[C@@H](N1c2ncnc3c2ncs3)C 27a_100103153222_100009860286 [0,2,0,0,0,0|1,0,0]=3 1434 B19R3.182445 C[C@@H]1COC[C@@H](N1c2ncnc3c2scc3)C 27a_100103153222_100000234879 [0,2,0,0,0,0|2,0,0]=4 1435 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ccnc3c2nc[nH]3 27a_100016991869_100009820729 [0,2,0,0,0,0|1,0,0]=3 1436 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ccnc3c2nn[nH]3 27a_100016991869_100009853804 [0,2,0,0,0,0|2,0,0]=4 1437 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2CCN3 27a_100016991869_200000104052 [0,2,0,0,0,0|1,0,1]=4 1438 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2[nH]cc3 27a_100016991869_100000084117 [0,2,0,0,0,0|1,0,1]=4 1439 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2[nH]cn3 27a_100016991869_100011215200 [0,2,0,0,0,0|0,0,2]=4 1440 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2cco3 27a_100016991869_100000094286 [0,2,0,0,0,0|2,0,0]=4 1441 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2ccs3 27a_100016991869_100000183654 [0,2,0,0,0,0|2,0,0]=4 1442 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2cn[nH]3 27a_100016991869_100000735611 [0,2,0,0,0,0|2,0,0]=4 1443 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2ncs3 27a_100016991869_100009860286 [0,2,0,0,0,0|1,0,0]=3 1444 B19R3.2200999 C[C@@H]1CN([C@@H](CO1)C)c2ncnc3c2scc3 27a_100016991869_100000234879 [0,2,0,0,0,0|2,0,0]=4 1445 B19R3.4561 C#CC1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100016991398_100009820729 [0,2,0,0,0,0|2,0,0]=4 1446 B19R3.4561 C#CC1CCN(CC1)c2ncnc3c2ncs3 27a_100016991398_100009860286 [0,2,0,0,0,0|2,0,0]=4 1447 B19R3.4561 CCC1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000754474_100009820729 [0,2,0,0,0,0|2,0,0]=4 1448 B19R3.4561 CCC1CCN(CC1)c2ncnc3c2ncs3 27a_100000754474_100009860286 [0,2,0,0,0,0|2,0,0]=4 1449 B19R3.4561 CCN1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000210033_100009820729 [0,2,0,0,0,0|2,0,0]=4 1450 B19R3.4561 CCN1CCN(CC1)c2ncnc3c2ncs3 27a_100000210033_100009860286 [0,2,0,0,0,0|2,0,0]=4 1451 B19R3.4561 COC1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000234800_100009820729 [0,2,0,0,0,0|2,0,0]=4 1452 B19R3.4561 COC1CCN(CC1)c2ncnc3c2ncs3 27a_100000234800_100009860286 [0,2,0,0,0,0|2,0,0]=4 1453 B19R3.4561 CSC1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100015202541_100009820729 [0,2,0,0,0,0|2,0,0]=4 1454 B19R3.4561 CSC1CCN(CC1)c2ncnc3c2ncs3 27a_100015202541_100009860286 [0,2,0,0,0,0|2,0,0]=4 1455 B19R3.4561 FCC1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100015203933_100009820729 [0,2,0,0,0,0|2,0,0]=4 1456 B19R3.4561 FCC1CCN(CC1)c2ncnc3c2ncs3 27a_100015203933_100009860286 [0,2,0,0,0,0|2,0,0]=4 1457 B19R3.4561 N#CC1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000747632_100009820729 [0,2,0,0,0,0|2,0,0]=4 1458 B19R3.4561 N#CC1CCN(CC1)c2ncnc3c2ncs3 27a_100000747632_100009860286 [0,2,0,0,0,0|2,0,0]=4 1459 B19R3.4561 OCC1CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000738675_100009820729 [0,2,0,0,0,0|2,0,0]=4 1460 B19R3.4561 OCC1CCN(CC1)c2ncnc3c2ncs3 27a_100000738675_100009860286 [0,2,0,0,0,0|2,0,0]=4 1461 B19R3.239555 C=C1CCN(CC1)c2ncnc3c2c(c[nH]3)C 27a_100000752442_100000092391 [0,2,0,0,0,0|2,0,0]=4 1462 B19R3.239555 C=C1CCN(CC1)c2ncnc3c2c(c[nH]3)F 27a_100000752442_100009880486 [0,2,0,0,0,0|2,0,0]=4 1463 B19R3.239555 CC1CCN(CC1)c2ncnc3c2c(c[nH]3)F 27a_100000188429_100009880486 [0,2,0,0,0,0|2,0,0]=4 1464 B19R3.239555 CN1CCN(CC1)c2ncnc3c2c(c[nH]3)F 27a_100000188432_100009880486 [0,2,0,0,0,0|2,0,0]=4 1465 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)C 27a_100000188429_100000092391 [0,2,0,0,0,0|2,0,0]=4 1466 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)F 27a_100015193889_100000092391 [0,2,0,0,0,0|2,0,0]=4 1467 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)O 27a_100025773856_100000092391 [0,2,0,0,0,0|2,0,0]=4 1468 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCN(CC3)C 27a_100000188432_100000092391 [0,2,0,0,0,0|2,0,0]=4 1469 B19R3.239555 Cc1c[nH]c2c1c(ncn2)N3CCS(=O)CC3 27a_100000752083_100000092391 [0,2,0,0,0,0|1,1,0]=4 1470 B19R3.239555 Fc1c[nH]c2c1c(ncn2)N3CCC(CC3)F 27a_100015193889_100009880486 [0,2,0,0,0,0|2,0,0]=4 1471 B19R3.239555 O=S1CCN(CC1)c2ncnc3c2c(c[nH]3)F 27a_100000752083_100009880486 [0,2,0,0,0,0|1,1,0]=4 1472 B19R3.239555 OC1CCN(CC1)c2ncnc3c2c(c[nH]3)F 27a_100025773856_100009880486 [0,2,0,0,0,0|2,0,0]=4 1473 B19R3.240555 CC1CCN(CC1O)c2ccnc3c2nc[nH]3 27a_100000696640_100009820729 [0,2,0,0,0,0|2,0,0]=4 1474 B19R3.240555 CC1CCN(CC1O)c2ncnc3c2ncs3 27a_100000696640_100009860286 [0,2,0,0,0,0|2,0,0]=4 1475 B19R3.240555 CC1CN(CCC1O)c2ccnc3c2nc[nH]3 27a_100011998114_100009820729 [0,2,0,0,0,0|2,0,0]=4 1476 B19R3.240555 CC1CN(CCC1O)c2ncnc3c2ncs3 27a_100011998114_100009860286 [0,2,0,0,0,0|2,0,0]=4 1477 B19R3.240555 C[C@H]1CN(CCN1C)c2ccnc3c2nc[nH]3 27a_100020603432_100009820729 [0,2,0,0,0,0|2,0,0]=4 1478 B19R3.240555 C[C@H]1CN(CCN1C)c2ncnc3c2ncs3 27a_100020603432_100009860286 [0,2,0,0,0,0|2,0,0]=4 1479 B19R3.240555 O[C@@H]1CCN(C[C@@H]1F)c2ccnc3c2nc[nH]3 27a_200016994291_100009820729 [0,2,0,0,0,0|2,0,0]=4 1480 B19R3.240555 O[C@@H]1CCN(C[C@@H]1F)c2ncnc3c2ncs3 27a_200016994291_100009860286 [0,2,0,0,0,0|2,0,0]=4 1481 B19R3.240555 O[C@@H]1CCN(C[C@@H]1O)c2ccnc3c2nc[nH]3 27a_100000690696_100009820729 [0,2,0,0,0,0|2,0,0]=4 1482 B19R3.240555 O[C@@H]1CCN(C[C@@H]1O)c2ncnc3c2ncs3 27a_100000690696_100009860286 [0,2,0,0,0,0|2,0,0]=4 1483 B19R3.7158914 CC1(CCN(CC1)c2ccnc3c2nc[nH]3)C 27a_100000750138_100009820729 [0,2,0,0,0,0|2,0,0]=4 1484 B19R3.7158914 CC1(CCN(CC1)c2ccnc3c2nc[nH]3)O 27a_100000690209_100009820729 [0,2,0,0,0,0|2,0,0]=4 1485 B19R3.7158914 CC1(CCN(CC1)c2ncnc3c2ncs3)C 27a_100000750138_100009860286 [0,2,0,0,0,0|2,0,0]=4 1486 B19R3.7158914 CC1(CCN(CC1)c2ncnc3c2ncs3)O 27a_100000690209_100009860286 [0,2,0,0,0,0|2,0,0]=4 1487 B19R3.7158914 C[Si]1(CCN(CC1)c2ccnc3c2nc[nH]3)C 27a_100025715224_100009820729 [0,2,0,0,0,0|2,0,0]=4 1488 B19R3.7158914 C[Si]1(CCN(CC1)c2ncnc3c2ncs3)C 27a_100025715224_100009860286 [0,2,0,0,0,0|2,0,0]=4 1489 B19R3.7158914 FC1(CCN(CC1)c2ccnc3c2nc[nH]3)F 27a_100000724815_100009820729 [0,2,0,0,0,0|2,0,0]=4 1490 B19R3.7158914 FC1(CCN(CC1)c2ncnc3c2ncs3)F 27a_100000724815_100009860286 [0,2,0,0,0,0|2,0,0]=4 1491 B19R3.7158914 O=S1(=O)CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000750940_100009820729 [0,2,0,0,0,0|1,1,0]=4 1492 B19R3.7158914 O=S1(=O)CCN(CC1)c2ncnc3c2ncs3 27a_100000750940_100009860286 [0,2,0,0,0,0|1,1,0]=4 1493 B19R3.7158914 OC1(CCN(CC1)c2ccnc3c2nc[nH]3)O 27a_100016987284_100009820729 [0,2,0,0,0,0|2,0,0]=4 1494 B19R3.7158914 OC1(CCN(CC1)c2ncnc3c2ncs3)O 27a_100016987284_100009860286 [0,2,0,0,0,0|2,0,0]=4 1495 B19R3.25299 C#CC1CCCN(C1)c2ccnc3c2nc[nH]3 27a_100015191679_100009820729 [0,2,0,0,0,0|2,0,0]=4 1496 B19R3.25299 C#CC1CCCN(C1)c2ncnc3c2ncs3 27a_100015191679_100009860286 [0,2,0,0,0,0|2,0,0]=4 1497 B19R3.25299 CCC1CN(CCO1)c2ccnc3c2nc[nH]3 27a_100000736320_100009820729 [0,2,0,0,0,0|1,0,0]=3 1498 B19R3.25299 CCC1CN(CCO1)c2ccnc3c2nn[nH]3 27a_100000736320_100009853804 [0,2,0,0,0,0|2,0,0]=4 1499 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2CCN3 27a_100000736320_200000104052 [0,2,0,0,0,0|1,0,1]=4 1500 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2[nH]cc3 27a_100000736320_100000084117 [0,2,0,0,0,0|1,0,1]=4 1501 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2[nH]cn3 27a_100000736320_100011215200 [0,2,0,0,0,0|0,0,2]=4 1502 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2cco3 27a_100000736320_100000094286 [0,2,0,0,0,0|2,0,0]=4 1503 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2ccs3 27a_100000736320_100000183654 [0,2,0,0,0,0|2,0,0]=4 1504 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2cn[nH]3 27a_100000736320_100000735611 [0,2,0,0,0,0|2,0,0]=4 1505 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2ncs3 27a_100000736320_100009860286 [0,2,0,0,0,0|1,0,0]=3 1506 B19R3.25299 CCC1CN(CCO1)c2ncnc3c2scc3 27a_100000736320_100000234879 [0,2,0,0,0,0|2,0,0]=4 1507 B19R3.25299 COC1CCCN(C1)c2ccnc3c2nc[nH]3 27a_100000695604_100009820729 [0,2,0,0,0,0|2,0,0]=4 1508 B19R3.25299 COC1CCCN(C1)c2ncnc3c2ncs3 27a_100000695604_100009860286 [0,2,0,0,0,0|2,0,0]=4 1509 B19R3.25299 FCC1CCCN(C1)c2ccnc3c2nc[nH]3 27a_100016992999_100009820729 [0,2,0,0,0,0|2,0,0]=4 1510 B19R3.25299 FCC1CCCN(C1)c2ncnc3c2ncs3 27a_100016992999_100009860286 [0,2,0,0,0,0|2,0,0]=4 1511 B19R3.25299 N#CC1CCCN(C1)c2ccnc3c2nc[nH]3 27a_100016989302_100009820729 [0,2,0,0,0,0|2,0,0]=4 1512 B19R3.25299 N#CC1CCCN(C1)c2ncnc3c2ncs3 27a_100016989302_100009860286 [0,2,0,0,0,0|2,0,0]=4 1513 B19R3.25299 N#CC1CN(CCO1)c2ccnc3c2nc[nH]3 27a_100000752543_100009820729 [0,2,0,0,0,0|1,0,0]=3 1514 B19R3.25299 N#CC1CN(CCO1)c2ccnc3c2nn[nH]3 27a_100000752543_100009853804 [0,2,0,0,0,0|2,0,0]=4 1515 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2CCN3 27a_100000752543_200000104052 [0,2,0,0,0,0|1,0,1]=4 1516 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2[nH]cc3 27a_100000752543_100000084117 [0,2,0,0,0,0|1,0,1]=4 1517 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2[nH]cn3 27a_100000752543_100011215200 [0,2,0,0,0,0|0,0,2]=4 1518 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2cco3 27a_100000752543_100000094286 [0,2,0,0,0,0|2,0,0]=4 1519 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2ccs3 27a_100000752543_100000183654 [0,2,0,0,0,0|2,0,0]=4 1520 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2cn[nH]3 27a_100000752543_100000735611 [0,2,0,0,0,0|2,0,0]=4 1521 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2ncs3 27a_100000752543_100009860286 [0,2,0,0,0,0|1,0,0]=3 1522 B19R3.25299 N#CC1CN(CCO1)c2ncnc3c2scc3 27a_100000752543_100000234879 [0,2,0,0,0,0|2,0,0]=4 1523 B19R3.25299 OCC1CCCN(C1)c2ccnc3c2nc[nH]3 27a_100000211344_100009820729 [0,2,0,0,0,0|2,0,0]=4 1524 B19R3.25299 OCC1CCCN(C1)c2ncnc3c2ncs3 27a_100000211344_100009860286 [0,2,0,0,0,0|2,0,0]=4 1525 B19R3.25299 OC[C@@H]1CN(CCO1)c2ccnc3c2nc[nH]3 27a_100015189573_100009820729 [0,2,0,0,0,0|1,0,0]=3 1526 B19R3.25299 OC[C@@H]1CN(CCO1)c2ccnc3c2nn[nH]3 27a_100015189573_100009853804 [0,2,0,0,0,0|2,0,0]=4 1527 B19R3.25299 OC[C@@H]1CN(CCO1)c2ncnc3c2CCN3 27a_100015189573_200000104052 [0,2,0,0,0,0|1,0,1]=4 1528 B19R3.25299 OC[C@@H]1CN(CCO1)c2ncnc3c2[nH]cc3 27a_100015189573_100000084117 [0,2,0,0,0,0|1,0,1]=4 1529 B19R3.25299 OC[C@@H]1CN(CCO1)c2ncnc3c2[nH]cn3 27a_100015189573_100011215200 [0,2,0,0,0,0|0,0,2]=4 1530 B19R3.25299 OC[C@@H]1CN(CCO1)c2ncnc3c2cco3 27a_100015189573_100000094286 [0,2,0,0,0,0|2,0,0]=4 1531 B19R3.25299 OC[C@@H]1CN(CCO1)c2ncnc3c2ccs3 27a_100015189573_100000183654 [0,2,0,0,0,0|2,0,0]=4 1532 B19R3.25299 OC[C@@H]1CN(CCO1)c2ncnc3c2cn[nH]3 27a_100015189573_100000735611 [0,2,0,0,0,0|2,0,0]=4 1533 B19R3.25299 OC[C@@H]1CN(CCO1)c2ncnc3c2ncs3 27a_100015189573_100009860286 [0,2,0,0,0,0|1,0,0]=3 1534 B19R3.25299 OC[C@@H]1CN(CCO1)c2ncnc3c2scc3 27a_100015189573_100000234879 [0,2,0,0,0,0|2,0,0]=4 1535 B19R3.2122942 CC1CC(CN(C1)c2ccnc3c2nc[nH]3)C 27a_100000210448_100009820729 [0,2,0,0,0,0|2,0,0]=4 1536 B19R3.2122942 CC1CC(CN(C1)c2ncnc3c2ncs3)C 27a_100000210448_100009860286 [0,2,0,0,0,0|2,0,0]=4 1537 B19R3.2122942 CC1CN(CC(O1)C)c2ccnc3c2nc[nH]3 27a_100000210032_100009820729 [0,2,0,0,0,0|1,0,0]=3 1538 B19R3.2122942 CC1CN(CC(O1)C)c2ccnc3c2nn[nH]3 27a_100000210032_100009853804 [0,2,0,0,0,0|2,0,0]=4 1539 B19R3.2122942 CC1CN(CC(O1)C)c2ncnc3c2CCN3 27a_100000210032_200000104052 [0,2,0,0,0,0|1,0,1]=4 1540 B19R3.2122942 CC1CN(CC(O1)C)c2ncnc3c2[nH]cc3 27a_100000210032_100000084117 [0,2,0,0,0,0|1,0,1]=4 1541 B19R3.2122942 CC1CN(CC(O1)C)c2ncnc3c2[nH]cn3 27a_100000210032_100011215200 [0,2,0,0,0,0|0,0,2]=4 1542 B19R3.2122942 CC1CN(CC(O1)C)c2ncnc3c2cco3 27a_100000210032_100000094286 [0,2,0,0,0,0|2,0,0]=4 1543 B19R3.2122942 CC1CN(CC(O1)C)c2ncnc3c2ccs3 27a_100000210032_100000183654 [0,2,0,0,0,0|2,0,0]=4 1544 B19R3.2122942 CC1CN(CC(O1)C)c2ncnc3c2cn[nH]3 27a_100000210032_100000735611 [0,2,0,0,0,0|2,0,0]=4 1545 B19R3.2122942 CC1CN(CC(O1)C)c2ncnc3c2ncs3 27a_100000210032_100009860286 [0,2,0,0,0,0|1,0,0]=3 1546 B19R3.2122942 CC1CN(CC(O1)C)c2ncnc3c2scc3 27a_100000210032_100000234879 [0,2,0,0,0,0|2,0,0]=4 1547 B19R3.2145870 CC1CN(CCO1)c2ncnc3c2c(c[nH]3)F 27a_100000729577_100009880486 [0,2,0,0,0,0|1,0,0]=3 1548 B19R3.2145870 CC1CN(CCO1)c2ncnc3c2n(cc3)C 27a_100000729577_100009847513 [0,2,0,0,0,0|1,0,1]=4 1549 B19R3.2145870 CC1CN(CCO1)c2ncnc3c2n(cn3)C 27a_100000729577_100000078800 [0,2,0,0,0,0|0,0,2]=4 1550 B19R3.2145870 C[C@H]1CCCN(C1)c2ncnc3c2c(c[nH]3)F 27a_100000717927_100009880486 [0,2,0,0,0,0|2,0,0]=4 1551 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCCC(C3)F 27a_100000697950_100000092391 [0,2,0,0,0,0|2,0,0]=4 1552 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCCC(C3)O 27a_100000211013_100000092391 [0,2,0,0,0,0|2,0,0]=4 1553 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)C 27a_100000717927_100000092391 [0,2,0,0,0,0|2,0,0]=4 1554 B19R3.2145870 Cc1c[nH]c2c1c(ncn2)N3CCOC(C3)C 27a_100000729577_100000092391 [0,2,0,0,0,0|1,0,0]=3 1555 B19R3.2145870 Cc1csc2c1c(ncn2)N3CCOC(C3)C 27a_100000729577_100000040732 [0,2,0,0,0,0|2,0,0]=4 1556 B19R3.2145870 Fc1c[nH]c2c1c(ncn2)N3CCCC(C3)F 27a_100000697950_100009880486 [0,2,0,0,0,0|2,0,0]=4 1557 B19R3.2145870 OC1CCCN(C1)c2ncnc3c2c(c[nH]3)F 27a_100000211013_100009880486 [0,2,0,0,0,0|2,0,0]=4 1558 B19R3.7629239 CC1(CCCN(C1)c2ccnc3c2nc[nH]3)C 27a_100000716857_100009820729 [0,2,0,0,0,0|2,0,0]=4 1559 B19R3.7629239 CC1(CCCN(C1)c2ccnc3c2nc[nH]3)O 27a_100000695535_100009820729 [0,2,0,0,0,0|2,0,0]=4 1560 B19R3.7629239 CC1(CCCN(C1)c2ncnc3c2ncs3)C 27a_100000716857_100009860286 [0,2,0,0,0,0|2,0,0]=4 1561 B19R3.7629239 CC1(CCCN(C1)c2ncnc3c2ncs3)O 27a_100000695535_100009860286 [0,2,0,0,0,0|2,0,0]=4 1562 B19R3.7629239 CC1(CN(CCO1)c2ccnc3c2nc[nH]3)C 27a_100000738910_100009820729 [0,2,0,0,0,0|1,0,0]=3 1563 B19R3.7629239 CC1(CN(CCO1)c2ccnc3c2nn[nH]3)C 27a_100000738910_100009853804 [0,2,0,0,0,0|2,0,0]=4 1564 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2CCN3)C 27a_100000738910_200000104052 [0,2,0,0,0,0|1,0,1]=4 1565 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2[nH]cc3)C 27a_100000738910_100000084117 [0,2,0,0,0,0|1,0,1]=4 1566 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2[nH]cn3)C 27a_100000738910_100011215200 [0,2,0,0,0,0|0,0,2]=4 1567 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2cco3)C 27a_100000738910_100000094286 [0,2,0,0,0,0|2,0,0]=4 1568 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2ccs3)C 27a_100000738910_100000183654 [0,2,0,0,0,0|2,0,0]=4 1569 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2cn[nH]3)C 27a_100000738910_100000735611 [0,2,0,0,0,0|2,0,0]=4 1570 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2ncs3)C 27a_100000738910_100009860286 [0,2,0,0,0,0|1,0,0]=3 1571 B19R3.7629239 CC1(CN(CCO1)c2ncnc3c2scc3)C 27a_100000738910_100000234879 [0,2,0,0,0,0|2,0,0]=4 1572 B19R3.7629239 FC1(CCCN(C1)c2ccnc3c2nc[nH]3)F 27a_100000732682_100009820729 [0,2,0,0,0,0|2,0,0]=4 1573 B19R3.7629239 FC1(CCCN(C1)c2ncnc3c2ncs3)F 27a_100000732682_100009860286 [0,2,0,0,0,0|2,0,0]=4 1574 B19R3.305362 CCc1c[nH]c2c1c(ncn2)N3CCOCC3 27a_100015191051_100009876448 [0,2,0,0,0,0|1,0,0]=3 1575 B19R3.305362 CCc1c[nH]c2c1c(ncn2)N3CCSCC3 27a_100000737611_100009876448 [0,2,0,0,0,0|1,1,0]=4 1576 B19R3.305362 N#Cc1c[nH]c2c1c(ncn2)N3CCOCC3 27a_100015191051_100009847449 [0,2,0,0,0,0|1,0,0]=3 1577 B19R3.305362 N#Cc1c[nH]c2c1c(ncn2)N3CCSCC3 27a_100000737611_100009847449 [0,2,0,0,0,0|1,1,0]=4 1578 B15R1.188 CCN(CCO)c1ncnc(c1C)NC 27a_100000210973_200011913118 [0,0,2,0,0,0|1,0,1]=4 1579 B15R1.238 CCOCCNc1ncnc(c1C)NC 27a_100011200944_200011913118 [0,0,2,0,0,0|1,0,1]=4 1580 B15R1.1233 CNc1ncnc(c1C)N(C)CCOC 27a_100000743101_200011913118 [0,0,2,0,0,0|1,0,1]=4 1581 B15R1.236 CCNc1cc(ncn1)NCCOCC 27a_100011200944_200000242512 [0,0,2,0,0,0|1,0,1]=4 1582 B15R1.1231 CCNc1cc(ncn1)N(C)CCOC 27a_100000743101_200000242512 [0,0,2,0,0,0|1,0,1]=4 1583 B15R1.3887 CCNc1cc(ncn1)N(CC)CCO 27a_100000210973_200000242512 [0,0,2,0,0,0|1,0,1]=4 1584 B15R1.2336 COCCN(C)c1ncnc(c1C#N)N 27a_100000743101_100000086035 [0,0,2,0,0,0|2,0,0]=4 1585 B15R1.2336 COCCN(C)c1ncnc(c1OC)N 27a_100000743101_100011998528 [0,0,2,0,0,0|1,0,1]=4 1586 B15R1.6212 CCN(CCO)c1ncnc(c1C#N)N 27a_100000210973_100000086035 [0,0,2,0,0,0|2,0,0]=4 1587 B15R1.6212 CCN(CCO)c1ncnc(c1OC)N 27a_100000210973_100011998528 [0,0,2,0,0,0|1,0,1]=4 1588 B15R1.9497 CCOCCNc1ncnc(c1C#N)N 27a_100011200944_100000086035 [0,0,2,0,0,0|2,0,0]=4 1589 B15R1.9497 CCOCCNc1ncnc(c1OC)N 27a_100011200944_100011998528 [0,0,2,0,0,0|1,0,1]=4 1590 B17R3.1941 c1nc2cc(ncn2n1)N3CCOCC3 27a_100015191051_100000101099 [0,0,1,1,0,0|0,0,2]=4 1591 B17R3.1941 c1nc2cnc(nc2[nH]1)N3CCOCC3 27a_100015191051_100000009038 [0,0,1,1,0,0|2,0,0]=4 1592 B17R3.91412 CCC1CN(C1)c2ccnc3c2nc[nH]3 27a_100015205115_100009820729 [0,0,1,1,0,0|2,0,0]=4 1593 B17R3.91412 CCC1CN(C1)c2ncnc3c2ncs3 27a_100015205115_100009860286 [0,0,1,1,0,0|2,0,0]=4 1594 B17R3.91412 COC1CN(C1)c2ccnc3c2nc[nH]3 27a_100000755009_100009820729 [0,0,1,1,0,0|1,0,0]=3 1595 B17R3.91412 COC1CN(C1)c2ccnc3c2nn[nH]3 27a_100000755009_100009853804 [0,0,1,1,0,0|2,0,0]=4 1596 B17R3.91412 COC1CN(C1)c2ncnc3c2CCN3 27a_100000755009_200000104052 [0,0,1,1,0,0|1,0,1]=4 1597 B17R3.91412 COC1CN(C1)c2ncnc3c2[nH]cc3 27a_100000755009_100000084117 [0,0,1,1,0,0|1,0,1]=4 1598 B17R3.91412 COC1CN(C1)c2ncnc3c2[nH]cn3 27a_100000755009_100011215200 [0,0,1,1,0,0|0,0,2]=4 1599 B17R3.91412 COC1CN(C1)c2ncnc3c2cco3 27a_100000755009_100000094286 [0,0,1,1,0,0|2,0,0]=4 1600 B17R3.91412 COC1CN(C1)c2ncnc3c2ccs3 27a_100000755009_100000183654 [0,0,1,1,0,0|2,0,0]=4 1601 B17R3.91412 COC1CN(C1)c2ncnc3c2cn[nH]3 27a_100000755009_100000735611 [0,0,1,1,0,0|2,0,0]=4 1602 B17R3.91412 COC1CN(C1)c2ncnc3c2ncs3 27a_100000755009_100009860286 [0,0,1,1,0,0|1,0,0]=3 1603 B17R3.91412 COC1CN(C1)c2ncnc3c2scc3 27a_100000755009_100000234879 [0,0,1,1,0,0|2,0,0]=4 1604 B17R3.91412 CSC1CN(C1)c2ccnc3c2nc[nH]3 27a_100016990038_100009820729 [0,0,1,1,0,0|1,1,0]=4 1605 B17R3.91412 CSC1CN(C1)c2ncnc3c2ncs3 27a_100016990038_100009860286 [0,0,1,1,0,0|1,1,0]=4 1606 B17R3.483750 CN(CC1CC1)c2ccnc3c2nc[nH]3 27a_100000741881_100009820729 [0,0,1,1,0,0|2,0,0]=4 1607 B17R3.483750 CN(CC1CC1)c2ncnc3c2ncs3 27a_100000741881_100009860286 [0,0,1,1,0,0|2,0,0]=4 1608 B17R3.647426 CN(c1ccnc2c1nc[nH]2)C3CCC3 27a_100000758072_100009820729 [0,0,1,1,0,0|2,0,0]=4 1609 B17R3.647426 CN(c1ncnc2c1ncs2)C3CCC3 27a_100000758072_100009860286 [0,0,1,1,0,0|2,0,0]=4 1610 B17R3.1910 c1cc(c2nc[nH]c2n1)NC3CCCC3 27a_100000211070_100009820729 [0,0,1,1,0,0|2,0,0]=4 1611 B17R3.1910 c1cc(c2nc[nH]c2n1)N[C@@H]3CCOC3 27a_200015188469_100009820729 [0,0,1,1,0,0|1,0,0]=3 1612 B17R3.1910 c1cc(c2nc[nH]c2n1)N[C@H]3CCOC3 27a_100015188467_100009820729 [0,0,1,1,0,0|1,0,0]=3 1613 B17R3.1910 c1cc(c2nn[nH]c2n1)N[C@@H]3CCOC3 27a_200015188469_100009853804 [0,0,1,1,0,0|2,0,0]=4 1614 B17R3.1910 c1cc(c2nn[nH]c2n1)N[C@H]3CCOC3 27a_100015188467_100009853804 [0,0,1,1,0,0|2,0,0]=4 1615 B17R3.1910 c1nc(c2[nH]ccc2n1)N[C@@H]3CCOC3 27a_200015188469_100000084117 [0,0,1,1,0,0|1,0,1]=4 1616 B17R3.1910 c1nc(c2[nH]ccc2n1)N[C@H]3CCOC3 27a_100015188467_100000084117 [0,0,1,1,0,0|1,0,1]=4 1617 B17R3.1910 c1nc(c2[nH]cnc2n1)N[C@@H]3CCOC3 27a_200015188469_100011215200 [0,0,1,1,0,0|0,0,2]=4 1618 B17R3.1910 c1nc(c2[nH]cnc2n1)N[C@H]3CCOC3 27a_100015188467_100011215200 [0,0,1,1,0,0|0,0,2]=4 1619 B17R3.1910 c1nc(c2ccoc2n1)N[C@@H]3CCOC3 27a_200015188469_100000094286 [0,0,1,1,0,0|2,0,0]=4 1620 B17R3.1910 c1nc(c2ccoc2n1)N[C@H]3CCOC3 27a_100015188467_100000094286 [0,0,1,1,0,0|2,0,0]=4 1621 B17R3.1910 c1nc(c2ccsc2n1)N[C@@H]3CCOC3 27a_200015188469_100000183654 [0,0,1,1,0,0|2,0,0]=4 1622 B17R3.1910 c1nc(c2ccsc2n1)N[C@H]3CCOC3 27a_100015188467_100000183654 [0,0,1,1,0,0|2,0,0]=4 1623 B17R3.1910 c1nc(c2cn[nH]c2n1)N[C@@H]3CCOC3 27a_200015188469_100000735611 [0,0,1,1,0,0|2,0,0]=4 1624 B17R3.1910 c1nc(c2cn[nH]c2n1)N[C@H]3CCOC3 27a_100015188467_100000735611 [0,0,1,1,0,0|2,0,0]=4 1625 B17R3.1910 c1nc(c2ncsc2n1)NC3CCCC3 27a_100000211070_100009860286 [0,0,1,1,0,0|2,0,0]=4 1626 B17R3.1910 c1nc(c2ncsc2n1)N[C@@H]3CCOC3 27a_200015188469_100009860286 [0,0,1,1,0,0|1,0,0]=3 1627 B17R3.1910 c1nc(c2ncsc2n1)N[C@H]3CCOC3 27a_100015188467_100009860286 [0,0,1,1,0,0|1,0,0]=3 1628 B17R3.1910 c1nc(c2sccc2n1)N[C@@H]3CCOC3 27a_200015188469_100000234879 [0,0,1,1,0,0|2,0,0]=4 1629 B17R3.1910 c1nc(c2sccc2n1)N[C@H]3CCOC3 27a_100015188467_100000234879 [0,0,1,1,0,0|2,0,0]=4 1630 B17R3.1910 c1nc2c(c(n1)N[C@@H]3CCOC3)CCN2 27a_200015188469_200000104052 [0,0,1,1,0,0|1,0,1]=4 1631 B17R3.1910 c1nc2c(c(n1)N[C@H]3CCOC3)CCN2 27a_100015188467_200000104052 [0,0,1,1,0,0|1,0,1]=4 1632 B17R3.20932 c1cc(c2nc[nH]c2n1)NCC3CCC3 27a_100000738700_100009820729 [0,0,1,1,0,0|2,0,0]=4 1633 B17R3.20932 c1cc(c2nc[nH]c2n1)NC[C@@H]3CCO3 27a_100020831831_100009820729 [0,0,1,1,0,0|1,0,0]=3 1634 B17R3.20932 c1cc(c2nc[nH]c2n1)SCC3CCO3 62a_100000103362_100009820729 [0,0,1,1,0,0|2,0,0]=4 1635 B17R3.20932 c1cc(c2nn[nH]c2n1)NC[C@@H]3CCO3 27a_100020831831_100009853804 [0,0,1,1,0,0|2,0,0]=4 1636 B17R3.20932 c1cc2[nH]cnc2c(n1)SCC3CCO3 62a_100000103362_100009820035 [0,0,1,1,0,0|2,0,0]=4 1637 B17R3.20932 c1nc(c2[nH]ccc2n1)NC[C@@H]3CCO3 27a_100020831831_100000084117 [0,0,1,1,0,0|1,0,1]=4 1638 B17R3.20932 c1nc(c2[nH]cnc2n1)NC[C@@H]3CCO3 27a_100020831831_100011215200 [0,0,1,1,0,0|0,0,2]=4 1639 B17R3.20932 c1nc(c2ccoc2n1)NC[C@@H]3CCO3 27a_100020831831_100000094286 [0,0,1,1,0,0|2,0,0]=4 1640 B17R3.20932 c1nc(c2ccsc2n1)NC[C@@H]3CCO3 27a_100020831831_100000183654 [0,0,1,1,0,0|2,0,0]=4 1641 B17R3.20932 c1nc(c2cn[nH]c2n1)NC[C@@H]3CCO3 27a_100020831831_100000735611 [0,0,1,1,0,0|2,0,0]=4 1642 B17R3.20932 c1nc(c2ncsc2n1)NCC3CCC3 27a_100000738700_100009860286 [0,0,1,1,0,0|2,0,0]=4 1643 B17R3.20932 c1nc(c2ncsc2n1)NC[C@@H]3CCO3 27a_100020831831_100009860286 [0,0,1,1,0,0|1,0,0]=3 1644 B17R3.20932 c1nc(c2ncsc2n1)SCC3CCO3 62a_100000103362_100009860286 [0,0,1,1,0,0|2,0,0]=4 1645 B17R3.20932 c1nc(c2sccc2n1)NC[C@@H]3CCO3 27a_100020831831_100000234879 [0,0,1,1,0,0|2,0,0]=4 1646 B17R3.20932 c1nc2c(c(n1)NC[C@@H]3CCO3)CCN2 27a_100020831831_200000104052 [0,0,1,1,0,0|1,0,1]=4 1647 B17R3.127913 c1cc(c2nc[nH]c2n1)NCCC3CC3 27a_100000764129_100009820729 [0,0,1,1,0,0|2,0,0]=4 1648 B17R3.127913 c1nc(c2ncsc2n1)NCCC3CC3 27a_100000764129_100009860286 [0,0,1,1,0,0|2,0,0]=4 1649 B17R3.56931 C[C@H]1[C@H](CN1c2ccnc3c2nc[nH]3)O 27a_206633788156_100009820729 [0,0,1,1,0,0|1,0,0]=3 1650 B17R3.56931 C[C@H]1[C@H](CN1c2ccnc3c2nn[nH]3)O 27a_206633788156_100009853804 [0,0,1,1,0,0|2,0,0]=4 1651 B17R3.56931 C[C@H]1[C@H](CN1c2ncnc3c2CCN3)O 27a_206633788156_200000104052 [0,0,1,1,0,0|1,0,1]=4 1652 B17R3.56931 C[C@H]1[C@H](CN1c2ncnc3c2[nH]cc3)O 27a_206633788156_100000084117 [0,0,1,1,0,0|1,0,1]=4 1653 B17R3.56931 C[C@H]1[C@H](CN1c2ncnc3c2[nH]cn3)O 27a_206633788156_100011215200 [0,0,1,1,0,0|0,0,2]=4 1654 B17R3.56931 C[C@H]1[C@H](CN1c2ncnc3c2cco3)O 27a_206633788156_100000094286 [0,0,1,1,0,0|2,0,0]=4 1655 B17R3.56931 C[C@H]1[C@H](CN1c2ncnc3c2ccs3)O 27a_206633788156_100000183654 [0,0,1,1,0,0|2,0,0]=4 1656 B17R3.56931 C[C@H]1[C@H](CN1c2ncnc3c2cn[nH]3)O 27a_206633788156_100000735611 [0,0,1,1,0,0|2,0,0]=4 1657 B17R3.56931 C[C@H]1[C@H](CN1c2ncnc3c2ncs3)O 27a_206633788156_100009860286 [0,0,1,1,0,0|1,0,0]=3 1658 B17R3.56931 C[C@H]1[C@H](CN1c2ncnc3c2scc3)O 27a_206633788156_100000234879 [0,0,1,1,0,0|2,0,0]=4 1659 B17R3.135326 CCN(c1ccnc2c1nc[nH]2)C3CC3 27a_100000738653_100009820729 [0,0,1,1,0,0|2,0,0]=4 1660 B17R3.135326 CCN(c1ncnc2c1ncs2)C3CC3 27a_100000738653_100009860286 [0,0,1,1,0,0|2,0,0]=4 1661 B19R4.2161 c1cnc2c(ncnc2c1)N3CC4CC4C3 27a_100000741873_100000063688 [0,0,0,1,0,1|2,0,0]=4 1662 B19R4.1388403 c1cc(c2nc[nH]c2n1)NC3C4C3COC4 27a_100000702821_100009820729 [0,0,0,1,0,1|2,0,0]=4 1663 B19R4.1388403 c1nc(c2ncsc2n1)NC3C4C3COC4 27a_100000702821_100009860286 [0,0,0,1,0,1|2,0,0]=4 1664 B19R4.1873 Cn1ccc2c1ncnc2N3CC4CC4C3 27a_100000741873_100000076352 [0,1,0,1,0,0|2,0,0]=4 1665 B19R4.1873 Cn1cnc2c1ccnc2N3CC4CC4C3 27a_100000741873_100000075535 [0,1,0,1,0,0|2,0,0]=4 1666 B19R4.1873 Cn1cnc2c1ncnc2N3CC4CC4C3 27a_100000741873_100000058137 [0,1,0,1,0,0|1,0,0]=3 1667 B19R4.9629 Cc1nc(c2cc[nH]c2n1)N3CC4CC4C3 27a_100000741873_100000092993 [0,1,0,1,0,0|2,0,0]=4 1668 B19R4.9629 Fc1nc(c2nc[nH]c2n1)N3CC4CC4C3 27a_100000741873_100000061921 [0,1,0,1,0,0|1,0,0]=3 1669 B19R4.11100 Cc1cc2c(ncnc2[nH]1)N3CC4CC4C3 27a_100000741873_100009847220 [0,1,0,1,0,0|2,0,0]=4 1670 B19R4.1389728 c1cc(c2nc[nH]c2n1)N3CC4CCC3C4 27a_100000743476_100009820729 [0,1,0,1,0,0|2,0,0]=4 1671 B19R4.1389728 c1cc(c2nc[nH]c2n1)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100009820729 [0,1,0,1,0,0|1,0,0]=3 1672 B19R4.1389728 c1cc(c2nn[nH]c2n1)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100009853804 [0,1,0,1,0,0|2,0,0]=4 1673 B19R4.1389728 c1nc(c2[nH]ccc2n1)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100000084117 [0,1,0,1,0,0|1,0,1]=4 1674 B19R4.1389728 c1nc(c2[nH]cnc2n1)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100011215200 [0,1,0,1,0,0|0,0,2]=4 1675 B19R4.1389728 c1nc(c2ccoc2n1)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100000094286 [0,1,0,1,0,0|2,0,0]=4 1676 B19R4.1389728 c1nc(c2ccsc2n1)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100000183654 [0,1,0,1,0,0|2,0,0]=4 1677 B19R4.1389728 c1nc(c2cn[nH]c2n1)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100000735611 [0,1,0,1,0,0|2,0,0]=4 1678 B19R4.1389728 c1nc(c2ncsc2n1)N3CC4CCC3C4 27a_100000743476_100009860286 [0,1,0,1,0,0|2,0,0]=4 1679 B19R4.1389728 c1nc(c2ncsc2n1)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100009860286 [0,1,0,1,0,0|1,0,0]=3 1680 B19R4.1389728 c1nc(c2sccc2n1)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100000234879 [0,1,0,1,0,0|2,0,0]=4 1681 B19R4.1389728 c1nc2c(c(n1)N3C[C@H]4C[C@@H]3CO4)CCN2 27a_100016995552_200000104052 [0,1,0,1,0,0|1,0,1]=4 1682 B19R4.1912407 Cc1c[nH]c2c1c(ncn2)N3CC4CC4C3 27a_100000741873_100000092391 [0,1,0,1,0,0|2,0,0]=4 1683 B19R4.1912407 Fc1c[nH]c2c1c(ncn2)N3CC4CC4C3 27a_100000741873_100009880486 [0,1,0,1,0,0|2,0,0]=4 1684 B15R2.19 C=Cc1ncnc(c1N)N2CCCC2 271570a_100011290941_100000686909 [0,0,1,0,1,0|1,0,1]=4 1685 B15R2.19 CNc1ncnc(c1C)N2CCCC2 27a_100000188435_200011913118 [0,0,1,0,1,0|1,0,1]=4 1686 B15R2.68 CC=Cc1cc(ncn1)N2CCCC2 271570a_100016259895_100000242485 [0,0,1,0,1,0|2,0,0]=4 1687 B15R2.68 CCNc1cc(ncn1)N2CCCC2 27a_100000188435_200000242512 [0,0,1,0,1,0|1,0,1]=4 1688 B15R2.68 CCNc1cc(ncn1)N2CCCC2 27a_100015525214_100000242485 [0,0,1,0,1,0|1,0,1]=4 1689 B15R2.2196 C(=NNC1CCOCC1)c2cnc[nH]2 4a_100000687383_100000742939 [0,0,1,0,1,0|2,0,0]=4 1690 B15R2.5805 COc1c(ncnc1N2CCCC2)N 27a_100000188435_100011998528 [0,0,1,0,1,0|1,0,1]=4 1691 B15R2.5805 N#Cc1c(ncnc1N2CCCC2)N 27a_100000188435_100000086035 [0,0,1,0,1,0|2,0,0]=4 1692 B15R3.6952 c1cc(c2nc[nH]c2n1)N3CCC3 27a_100000754969_100009820729 [0,0,0,0,2,0|1,0,0]=3 1693 B15R3.6952 c1cc(c2nn[nH]c2n1)N3CCC3 27a_100000754969_100009853804 [0,0,0,0,2,0|2,0,0]=4 1694 B15R3.6952 c1nc(c2[nH]ccc2n1)N3CCC3 27a_100000754969_100000084117 [0,0,0,0,2,0|1,0,1]=4 1695 B15R3.6952 c1nc(c2[nH]cnc2n1)N3CCC3 27a_100000754969_100011215200 [0,0,0,0,2,0|0,0,2]=4 1696 B15R3.6952 c1nc(c2ccoc2n1)N3CCC3 27a_100000754969_100000094286 [0,0,0,0,2,0|2,0,0]=4 1697 B15R3.6952 c1nc(c2ccsc2n1)N3CCC3 27a_100000754969_100000183654 [0,0,0,0,2,0|2,0,0]=4 1698 B15R3.6952 c1nc(c2cn[nH]c2n1)N3CCC3 27a_100000754969_100000735611 [0,0,0,0,2,0|2,0,0]=4 1699 B15R3.6952 c1nc(c2ncsc2n1)N3CCC3 27a_100000754969_100009860286 [0,0,0,0,2,0|1,0,0]=3 1700 B15R3.6952 c1nc(c2sccc2n1)N3CCC3 27a_100000754969_100000234879 [0,0,0,0,2,0|2,0,0]=4 1701 B15R3.6952 c1nc2c(c(n1)N3CCC3)CCN2 27a_100000754969_200000104052 [0,0,0,0,2,0|1,0,1]=4 1702 B17R2.11646 CNc1ncnc(c1C)N2CCCOCC2 27a_100000685342_200011913118 [0,0,1,0,0,1|1,0,1]=4 1703 B17R2.46518 CCNc1cc(ncn1)N2CCCOCC2 27a_100000685342_200000242512 [0,0,1,0,0,1|1,0,1]=4 1704 B17R2.123061 COc1c(ncnc1N2CCCOCC2)N 27a_100000685342_100011998528 [0,0,1,0,0,1|1,0,1]=4 1705 B17R2.123061 N#Cc1c(ncnc1N2CCCOCC2)N 27a_100000685342_100000086035 [0,0,1,0,0,1|2,0,0]=4 1706 B17R2.440810 CCCCN(C)c1ncnc2c1nccc2 27a_100000207549_100000063688 [0,0,1,0,0,1|2,0,0]=4 1707 B17R2.440810 COCCN(C)c1ccnc2c1cncc2 27a_100000743101_100000095135 [0,0,1,0,0,1|2,0,0]=4 1708 B17R2.440810 COCCN(C)c1ccnc2c1nccn2 27a_100000743101_100010783457 [0,0,1,0,0,1|1,0,1]=4 1709 B17R2.440810 COCCN(C)c1nccc2c1cncc2 27a_100000743101_100000116921 [0,0,1,0,0,1|2,0,0]=4 1710 B17R2.440810 COCCN(C)c1nccc2c1nccc2 27a_100000743101_100010063729 [0,0,1,0,0,1|2,0,0]=4 1711 B17R2.440810 COCCN(C)c1nccc2c1nccn2 27a_100000743101_100010063732 [0,0,1,0,0,1|1,0,1]=4 1712 B17R2.440810 COCCN(C)c1ncnc2c1cccc2 27a_100000743101_100000217608 [0,0,1,0,0,1|2,0,0]=4 1713 B17R2.440810 COCCN(C)c1ncnc2c1cccn2 27a_100000743101_100000026734 [0,0,1,0,0,1|1,0,1]=4 1714 B17R2.440810 COCCN(C)c1ncnc2c1ccnc2 27a_100000743101_100000098430 [0,0,1,0,0,1|1,0,1]=4 1715 B17R2.440810 COCCN(C)c1ncnc2c1nccc2 27a_100000743101_100000063688 [0,0,1,0,0,1|1,0,0]=3 1716 B17R2.440810 CSCCN(C)c1ncnc2c1nccc2 27a_100000686725_100000063688 [0,0,1,0,0,1|1,1,0]=4 1717 B17R2.148072 CCCCCNc1ncnc2c1nccc2 27a_100000209983_100000063688 [0,0,1,0,0,1|2,0,0]=4 1718 B17R2.148072 CCOCCNc1ccnc2c1cncc2 27a_100011200944_100000095135 [0,0,1,0,0,1|2,0,0]=4 1719 B17R2.148072 CCOCCNc1ccnc2c1nccn2 27a_100011200944_100010783457 [0,0,1,0,0,1|1,0,1]=4 1720 B17R2.148072 CCOCCNc1nccc2c1cncc2 27a_100011200944_100000116921 [0,0,1,0,0,1|2,0,0]=4 1721 B17R2.148072 CCOCCNc1nccc2c1nccc2 27a_100011200944_100010063729 [0,0,1,0,0,1|2,0,0]=4 1722 B17R2.148072 CCOCCNc1nccc2c1nccn2 27a_100011200944_100010063732 [0,0,1,0,0,1|1,0,1]=4 1723 B17R2.148072 CCOCCNc1ncnc2c1cccc2 27a_100011200944_100000217608 [0,0,1,0,0,1|2,0,0]=4 1724 B17R2.148072 CCOCCNc1ncnc2c1cccn2 27a_100011200944_100000026734 [0,0,1,0,0,1|1,0,1]=4 1725 B17R2.148072 CCOCCNc1ncnc2c1ccnc2 27a_100011200944_100000098430 [0,0,1,0,0,1|1,0,1]=4 1726 B17R2.148072 CCOCCNc1ncnc2c1nccc2 27a_100011200944_100000063688 [0,0,1,0,0,1|1,0,0]=3 1727 B17R2.148072 CCOCCSc1ncnc2c1nccc2 62a_100000210147_100000063688 [0,0,1,0,0,1|2,0,0]=4 1728 B17R2.148072 CCSCCNc1ncnc2c1nccc2 27a_100000106463_100000063688 [0,0,1,0,0,1|1,1,0]=4 1729 B17R2.163534 CCCN(CC)c1ncnc2c1nccc2 27a_100000226822_100000063688 [0,0,1,0,0,1|2,0,0]=4 1730 B17R2.163534 CCN(CCO)c1ccnc2c1cncc2 27a_100000210973_100000095135 [0,0,1,0,0,1|2,0,0]=4 1731 B17R2.163534 CCN(CCO)c1ccnc2c1nccn2 27a_100000210973_100010783457 [0,0,1,0,0,1|1,0,1]=4 1732 B17R2.163534 CCN(CCO)c1nccc2c1cncc2 27a_100000210973_100000116921 [0,0,1,0,0,1|2,0,0]=4 1733 B17R2.163534 CCN(CCO)c1nccc2c1nccc2 27a_100000210973_100010063729 [0,0,1,0,0,1|2,0,0]=4 1734 B17R2.163534 CCN(CCO)c1nccc2c1nccn2 27a_100000210973_100010063732 [0,0,1,0,0,1|1,0,1]=4 1735 B17R2.163534 CCN(CCO)c1ncnc2c1cccc2 27a_100000210973_100000217608 [0,0,1,0,0,1|2,0,0]=4 1736 B17R2.163534 CCN(CCO)c1ncnc2c1cccn2 27a_100000210973_100000026734 [0,0,1,0,0,1|1,0,1]=4 1737 B17R2.163534 CCN(CCO)c1ncnc2c1ccnc2 27a_100000210973_100000098430 [0,0,1,0,0,1|1,0,1]=4 1738 B17R2.163534 CCN(CCO)c1ncnc2c1nccc2 27a_100000210973_100000063688 [0,0,1,0,0,1|1,0,0]=3 1739 B19R3.28 c1cnc2c(ncnc2c1)NC3CCOCC3 27a_100000741149_100000063688 [0,0,0,0,0,2|2,0,0]=4 1740 B19R3.324611 c1cc2c(ncnc2cn1)N3CCCOCC3 27a_100000685342_100000098430 [0,0,0,0,0,2|1,0,1]=4 1741 B19R3.324611 c1cc2ccnc(c2cn1)N3CCCOCC3 27a_100000685342_100000116921 [0,0,0,0,0,2|2,0,0]=4 1742 B19R3.324611 c1cc2nccc(c2cn1)N3CCCOCC3 27a_100000685342_100000095135 [0,0,0,0,0,2|2,0,0]=4 1743 B19R3.324611 c1cc2nccnc2c(n1)N3CCCOCC3 27a_100000685342_100010063732 [0,0,0,0,0,2|1,0,1]=4 1744 B19R3.324611 c1ccc2c(ncnc2c1)N3CCCOCC3 27a_100000685342_100000217608 [0,0,0,0,0,2|2,0,0]=4 1745 B19R3.324611 c1cnc2c(ccnc2n1)N3CCCOCC3 27a_100000685342_100010783457 [0,0,0,0,0,2|1,0,1]=4 1746 B19R3.324611 c1cnc2c(nccc2c1)N3CCCOCC3 27a_100000685342_100010063729 [0,0,0,0,0,2|2,0,0]=4 1747 B19R3.324611 c1cnc2c(ncnc2c1)N3CCCCCC3 27a_100000185865_100000063688 [0,0,0,0,0,2|2,0,0]=4 1748 B19R3.324611 c1cnc2c(ncnc2c1)N3CCCOCC3 27a_100000685342_100000063688 [0,0,0,0,0,2|1,0,0]=3 1749 B19R3.324611 c1cnc2ncnc(c2c1)N3CCCOCC3 27a_100000685342_100000026734 [0,0,0,0,0,2|1,0,1]=4 1750 B19R3.19245 c1cc(c2nc[nH]c2n1)NCC3CCOCC3 27a_100000746373_100009820729 [0,0,0,0,0,2|2,0,0]=4 1751 B19R3.19245 c1cc(c2nc[nH]c2n1)SCC3CCOCC3 62a_100000754603_100009820729 [0,0,0,0,0,2|2,0,0]=4 1752 B19R3.19245 c1cc2[nH]cnc2c(n1)SCC3CCOCC3 62a_100000754603_100009820035 [0,0,0,0,0,2|2,0,0]=4 1753 B19R3.19245 c1nc(c2ncsc2n1)NCC3CCOCC3 27a_100000746373_100009860286 [0,0,0,0,0,2|2,0,0]=4 1754 B19R3.19245 c1nc(c2ncsc2n1)SCC3CCOCC3 62a_100000754603_100009860286 [0,0,0,0,0,2|2,0,0]=4 1755 B19R3.1672505 c1cc(c2nc[nH]c2n1)N3CCCCCCC3 27a_100000211400_100009820729 [0,0,0,0,0,2|2,0,0]=4 1756 B19R3.1672505 c1nc(c2ncsc2n1)N3CCCCCCC3 27a_100000211400_100009860286 [0,0,0,0,0,2|2,0,0]=4