0 B20R3.12656 Cc1cc(c2cc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000095047 [0,0,0,0,0,0|3,1,0]=4 1 B20R3.12656 Cc1cc2[nH]ccc2c(n1)SCC3CCCCC3 62a_100000211423_100009880406 [0,0,0,0,0,0|3,1,0]=4 2 B20R3.12656 Cc1nc(c2cc[nH]c2n1)C=CC3CCCCC3 271570a_100016283615_100000092993 [0,0,0,0,0,0|3,0,1]=4 3 B20R3.12656 Cc1nc(c2cc[nH]c2n1)NCC3CCCCC3 27a_100000210473_100000092993 [0,0,0,0,0,0|3,0,0]=3 4 B20R3.12656 Cc1nc(c2cc[nH]c2n1)NCC3CCCCO3 27a_100000174945_100000092993 [0,0,0,0,0,0|4,0,0]=4 5 B20R3.12656 Cc1nc(c2cc[nH]c2n1)NCC3CCCOC3 27a_100000720124_100000092993 [0,0,0,0,0,0|4,0,0]=4 6 B20R3.12656 Cc1nc(c2cc[nH]c2n1)NCC3CCOCC3 27a_100000746373_100000092993 [0,0,0,0,0,0|4,0,0]=4 7 B20R3.12656 Cc1nc(c2cc[nH]c2n1)NCC3CCSCC3 27a_100015188806_100000092993 [0,0,0,0,0,0|4,0,0]=4 8 B20R3.12656 Cc1nc(c2cc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000092993 [0,0,0,0,0,0|2,1,0]=3 9 B20R3.12656 Cc1nc(c2cc[nH]c2n1)SCC3CCCCO3 62a_100000211543_100000092993 [0,0,0,0,0,0|3,1,0]=4 10 B20R3.12656 Cc1nc(c2cc[nH]c2n1)SCC3CCCOC3 62a_100000741521_100000092993 [0,0,0,0,0,0|3,1,0]=4 11 B20R3.12656 Cc1nc(c2cc[nH]c2n1)SCC3CCOCC3 62a_100000754603_100000092993 [0,0,0,0,0,0|3,1,0]=4 12 B20R3.12656 Cc1nc(c2ccsc2n1)NCC3CCCCC3 27a_100000210473_100000183124 [0,0,0,0,0,0|4,0,0]=4 13 B20R3.12656 Cc1nc(c2ccsc2n1)SCC3CCCCC3 62a_100000183124_100000211423 [0,0,0,0,0,0|3,1,0]=4 14 B20R3.12656 Cc1nc(c2ccsc2n1)SCC3CCCCC3 62a_100000211423_100000183124 [0,0,0,0,0,0|3,1,0]=4 15 B20R3.12656 Cc1nc(c2cn[nH]c2n1)NCC3CCCCC3 27a_100000210473_100000745003 [0,0,0,0,0,0|4,0,0]=4 16 B20R3.12656 Cc1nc(c2cn[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000745003 [0,0,0,0,0,0|3,1,0]=4 17 B20R3.12656 Cc1nc(c2cn[nH]c2n1)SCC3CCCCC3 62a_100000745003_100000211423 [0,0,0,0,0,0|3,1,0]=4 18 B20R3.12656 Cc1nc(c2sccc2n1)NCC3CCCCC3 27a_100000210473_100012000418 [0,0,0,0,0,0|4,0,0]=4 19 B20R3.12656 Cc1nc(c2sccc2n1)SCC3CCCCC3 62a_100000211423_100012000418 [0,0,0,0,0,0|3,1,0]=4 20 B20R3.12656 Fc1cc(c2nc[nH]c2c1)SCC3CCCCC3 62a_100000211423_100010192642 [0,0,0,0,0,0|3,1,0]=4 21 B20R3.12656 Fc1cc(c2nc[nH]c2c1)SCC3CCCCC3 62a_100010192642_100000211423 [0,0,0,0,0,0|3,1,0]=4 22 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCCCC3 27a_100000210473_100000061921 [0,0,0,0,0,0|2,0,0]=2 23 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCCCO3 27a_100000174945_100000061921 [0,0,0,0,0,0|3,0,0]=3 24 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCCOC3 27a_100000720124_100000061921 [0,0,0,0,0,0|3,0,0]=3 25 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCOCC3 27a_100000746373_100000061921 [0,0,0,0,0,0|3,0,0]=3 26 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCSCC3 27a_100015188806_100000061921 [0,0,0,0,0,0|3,0,0]=3 27 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NC[C@H]3COCCO3 27a_100010981119_100000061921 [0,0,0,0,0,0|4,0,0]=4 28 B20R3.12656 Fc1nc(c2nc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000061921 [0,0,0,0,0,0|1,1,0]=2 29 B20R3.12656 Fc1nc(c2nc[nH]c2n1)SCC3CCCCO3 62a_100000211543_100000061921 [0,0,0,0,0,0|2,1,0]=3 30 B20R3.12656 Fc1nc(c2nc[nH]c2n1)SCC3CCCOC3 62a_100000741521_100000061921 [0,0,0,0,0,0|2,1,0]=3 31 B20R3.12656 Fc1nc(c2nc[nH]c2n1)SCC3CCOCC3 62a_100000754603_100000061921 [0,0,0,0,0,0|2,1,0]=3 32 B20R3.12656 Nc1cc(c2cc[nH]c2c1)SCC3CCCCC3 62a_100000211423_100010006569 [0,0,0,0,0,0|3,1,0]=4 33 B20R3.12656 Nc1cc(c2cc[nH]c2n1)C=CC3CCCCC3 271570a_100016283615_100009864914 [0,0,0,0,0,0|3,0,1]=4 34 B20R3.12656 Nc1cc(c2cc[nH]c2n1)SCC3CCCCC3 62a_100010168402_100000211423 [0,0,0,0,0,0|2,1,0]=3 35 B20R3.12656 Nc1cc(c2cc[nH]c2n1)SCC3CCCCO3 62a_100010168402_100000211543 [0,0,0,0,0,0|3,1,0]=4 36 B20R3.12656 Nc1cc(c2cc[nH]c2n1)SCC3CCCOC3 62a_100010168402_100000741521 [0,0,0,0,0,0|3,1,0]=4 37 B20R3.12656 Nc1cc(c2cc[nH]c2n1)SCC3CCOCC3 62a_100010168402_100000749018 [0,0,0,0,0,0|3,1,0]=4 38 B20R3.12656 Nc1nc(c-2ccnc2[nH]1)NCC3CCCCC3 27a_100000210473_100000068727 [0,0,0,0,0,0|2,0,2]=4 39 B20R3.12656 Nc1nc(c2[nH]ccc2n1)C=CC3CCCCC3 271570a_100016283615_100000093568 [0,0,0,0,0,0|2,0,2]=4 40 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCCCC3 27a_100000210473_100000764887 [0,0,0,0,0,0|1,0,2]=3 41 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCCCO3 27a_100000174945_100000764887 [0,0,0,0,0,0|2,0,2]=4 42 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCCOC3 27a_100000720124_100000764887 [0,0,0,0,0,0|2,0,2]=4 43 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCOCC3 27a_100000746373_100000764887 [0,0,0,0,0,0|2,0,2]=4 44 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCSCC3 27a_100015188806_100000764887 [0,0,0,0,0,0|2,0,2]=4 45 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCCC3 62a_100000211423_100000764887 [0,0,0,0,0,0|0,1,2]=3 46 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCCC3 62a_100000764887_100000211423 [0,0,0,0,0,0|0,1,2]=3 47 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCCO3 62a_100000211543_100000764887 [0,0,0,0,0,0|1,1,2]=4 48 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCCO3 62a_100000764887_100000211543 [0,0,0,0,0,0|1,1,2]=4 49 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCOC3 62a_100000741521_100000764887 [0,0,0,0,0,0|1,1,2]=4 50 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCOC3 62a_100000764887_100000741521 [0,0,0,0,0,0|1,1,2]=4 51 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCOCC3 62a_100000754603_100000764887 [0,0,0,0,0,0|1,1,2]=4 52 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCOCC3 62a_100000764887_100000749018 [0,0,0,0,0,0|1,1,2]=4 53 B20R3.12656 Nc1nc(c2c[nH]nc2n1)NCC3CCCCC3 27a_100000210473_100000068426 [0,0,0,0,0,0|3,0,1]=4 54 B20R3.12656 Nc1nc(c2c[nH]nc2n1)SCC3CCCCC3 62a_100000068426_100000211423 [0,0,0,0,0,0|2,1,1]=4 55 B20R3.12656 Nc1nc(c2c[nH]nc2n1)SCC3CCCCC3 62a_100000211423_100000068426 [0,0,0,0,0,0|2,1,1]=4 56 B20R3.12656 Nc1nc(c2nc[nH]c2n1)C=CC3=CCCCC3 271570a_100000069214_200000049598 [0,0,0,0,0,0|1,0,3]=4 57 B20R3.12656 Nc1nc(c2nc[nH]c2n1)C=CC3CCCCC3 271570a_100016283615_200000049598 [0,0,0,0,0,0|1,0,1]=2 58 B19R3.19245 C(=CC1CCCCC1)c2ccnc3c2nc[nH]3 271570a_100016283615_100009820729 [1,0,0,0,0,0|2,0,1]=4 59 B19R3.19245 C(=CC1CCCCC1)c2nccc3c2nc[nH]3 271570a_100016283615_100009820035 [1,0,0,0,0,0|2,0,1]=4 60 B19R3.19245 C(=CC1CCCCC1)c2ncnc3c2ncs3 271570a_100016283615_100009860286 [1,0,0,0,0,0|2,0,1]=4 61 B19R3.19245 c1cc(c2cc[nH]c2c1)OCC3CCCCC3 34a_100000763377_100000211423 [1,0,0,0,0,0|3,0,0]=4 62 B19R3.19245 c1cc(c2cc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000766882 [1,0,0,0,0,0|2,1,0]=4 63 B19R3.19245 c1cc(c2nc[nH]c2c1)SCC3CCCCC3 62a_100000211423_100011935113 [1,0,0,0,0,0|2,1,0]=4 64 B19R3.19245 c1cc(c2nc[nH]c2n1)NCC3CCCCC3 27a_100000210473_100009820729 [1,0,0,0,0,0|2,0,0]=3 65 B19R3.19245 c1cc(c2nc[nH]c2n1)NCC3CCCCO3 27a_100000174945_100009820729 [1,0,0,0,0,0|3,0,0]=4 66 B19R3.19245 c1cc(c2nc[nH]c2n1)NCC3CCCOC3 27a_100000720124_100009820729 [1,0,0,0,0,0|3,0,0]=4 67 B19R3.19245 c1cc(c2nc[nH]c2n1)NCC3CCOCC3 27a_100000746373_100009820729 [1,0,0,0,0,0|3,0,0]=4 68 B19R3.19245 c1cc(c2nc[nH]c2n1)NCC3CCSCC3 27a_100015188806_100009820729 [1,0,0,0,0,0|3,0,0]=4 69 B19R3.19245 c1cc(c2nc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100009820729 [1,0,0,0,0,0|1,1,0]=3 70 B19R3.19245 c1cc(c2nc[nH]c2n1)SCC3CCCCO3 62a_100000211543_100009820729 [1,0,0,0,0,0|2,1,0]=4 71 B19R3.19245 c1cc(c2nc[nH]c2n1)SCC3CCCOC3 62a_100000741521_100009820729 [1,0,0,0,0,0|2,1,0]=4 72 B19R3.19245 c1cc(c2nc[nH]c2n1)SCC3CCOCC3 62a_100000754603_100009820729 [1,0,0,0,0,0|2,1,0]=4 73 B19R3.19245 c1cc(c2ncsc2c1)OCC3CCCCC3 34a_100000101385_100000211423 [1,0,0,0,0,0|3,0,0]=4 74 B19R3.19245 c1cc(c2ncsc2c1)OCC3CCCCC3 7a_100000101385_100000211423 [1,0,0,0,0,0|3,0,0]=4 75 B19R3.19245 c1cc(c2nn[nH]c2n1)NCC3CCCCC3 27a_100000210473_100009853804 [1,0,0,0,0,0|3,0,0]=4 76 B19R3.19245 c1cc(c2nn[nH]c2n1)SCC3CCCCC3 62a_100000211423_100009853804 [1,0,0,0,0,0|2,1,0]=4 77 B19R3.19245 c1cc(c2sccc2n1)OCC3CCCCC3 34a_100000759877_100000211423 [1,0,0,0,0,0|3,0,0]=4 78 B19R3.19245 c1cc2[nH]ccc2c(n1)SCC3CCCCC3 62a_100000211423_100000086534 [1,0,0,0,0,0|2,1,0]=4 79 B19R3.19245 c1cc2[nH]cnc2c(n1)SCC3CCCCC3 62a_100000211423_100009820035 [1,0,0,0,0,0|1,1,0]=3 80 B19R3.19245 c1cc2[nH]cnc2c(n1)SCC3CCCCO3 62a_100000211543_100009820035 [1,0,0,0,0,0|2,1,0]=4 81 B19R3.19245 c1cc2[nH]cnc2c(n1)SCC3CCCOC3 62a_100000741521_100009820035 [1,0,0,0,0,0|2,1,0]=4 82 B19R3.19245 c1cc2[nH]cnc2c(n1)SCC3CCOCC3 62a_100000754603_100009820035 [1,0,0,0,0,0|2,1,0]=4 83 B19R3.19245 c1nc(c2[nH]ccc2n1)NCC3CCCCC3 27a_100000210473_100000084117 [1,0,0,0,0,0|2,0,1]=4 84 B19R3.19245 c1nc(c2[nH]ccc2n1)SCC3CCCCC3 62a_100000211423_100000084117 [1,0,0,0,0,0|1,1,1]=4 85 B19R3.19245 c1nc(c2[nH]cnc2n1)NCC3CCCCC3 27a_100000210473_100011215200 [1,0,0,0,0,0|1,0,2]=4 86 B19R3.19245 c1nc(c2[nH]cnc2n1)SCC3CCCCC3 62a_100000211423_100011215200 [1,0,0,0,0,0|0,1,2]=4 87 B19R3.19245 c1nc(c2ccoc2n1)NCC3CCCCC3 27a_100000210473_100000094286 [1,0,0,0,0,0|3,0,0]=4 88 B19R3.19245 c1nc(c2ccoc2n1)SCC3CCCCC3 62a_100000211423_100000094286 [1,0,0,0,0,0|2,1,0]=4 89 B19R3.19245 c1nc(c2ccsc2n1)NCC3CCCCC3 27a_100000210473_100000183654 [1,0,0,0,0,0|3,0,0]=4 90 B19R3.19245 c1nc(c2ccsc2n1)SCC3CCCCC3 62a_100000211423_100000183654 [1,0,0,0,0,0|2,1,0]=4 91 B19R3.19245 c1nc(c2cn[nH]c2n1)NCC3CCCCC3 27a_100000210473_100000735611 [1,0,0,0,0,0|3,0,0]=4 92 B19R3.19245 c1nc(c2cn[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000735611 [1,0,0,0,0,0|2,1,0]=4 93 B19R3.19245 c1nc(c2ncsc2n1)NCC3CCCCC3 27a_100000210473_100009860286 [1,0,0,0,0,0|2,0,0]=3 94 B19R3.19245 c1nc(c2ncsc2n1)NCC3CCCCO3 27a_100000174945_100009860286 [1,0,0,0,0,0|3,0,0]=4 95 B19R3.19245 c1nc(c2ncsc2n1)NCC3CCCOC3 27a_100000720124_100009860286 [1,0,0,0,0,0|3,0,0]=4 96 B19R3.19245 c1nc(c2ncsc2n1)NCC3CCOCC3 27a_100000746373_100009860286 [1,0,0,0,0,0|3,0,0]=4 97 B19R3.19245 c1nc(c2ncsc2n1)NCC3CCSCC3 27a_100015188806_100009860286 [1,0,0,0,0,0|3,0,0]=4 98 B19R3.19245 c1nc(c2ncsc2n1)SCC3CCCCC3 62a_100000211423_100009860286 [1,0,0,0,0,0|1,1,0]=3 99 B19R3.19245 c1nc(c2ncsc2n1)SCC3CCCCO3 62a_100000211543_100009860286 [1,0,0,0,0,0|2,1,0]=4 100 B19R3.19245 c1nc(c2ncsc2n1)SCC3CCCOC3 62a_100000741521_100009860286 [1,0,0,0,0,0|2,1,0]=4 101 B19R3.19245 c1nc(c2ncsc2n1)SCC3CCOCC3 62a_100000754603_100009860286 [1,0,0,0,0,0|2,1,0]=4 102 B19R3.19245 c1nc(c2sccc2n1)NCC3CCCCC3 27a_100000210473_100000234879 [1,0,0,0,0,0|3,0,0]=4 103 B19R3.19245 c1nc(c2sccc2n1)SCC3CCCCC3 62a_100000211423_100000234879 [1,0,0,0,0,0|2,1,0]=4 104 B19R3.19245 c1nc2c(c(n1)NCC3CCCCC3)CCN2 27a_100000210473_200000104052 [1,0,0,0,0,0|2,0,1]=4 105 B19R3.19245 c1nc2c(c(n1)SCC3CCCCC3)CCN2 62a_100000211423_200000104052 [1,0,0,0,0,0|1,1,1]=4 106 B19R3.19245 c1nc2c(c(n1)SCC3CCCCC3)CCN2 62a_200000104052_100000211423 [1,0,0,0,0,0|1,1,1]=4 107 B21R3.19177 C[C@@H](Nc1nc(nc2c1[nH]cn2)N)C3CCCCC3 27a_100025707633_100000764887 [0,1,0,0,0,0|1,0,2]=4 108 B21R3.19177 C[C@@H](Nc1nc(nc2c1nc[nH]2)F)C3CCCCC3 27a_100025707633_100000061921 [0,1,0,0,0,0|2,0,0]=3 109 B21R3.19177 Cc1nc(c2cc[nH]c2n1)N[C@H](C)C3CCCCC3 27a_100025707633_100000092993 [0,1,0,0,0,0|3,0,0]=4 110 B21R3.19185 CN(CC1CCCCC1)c2nc(nc3c2[nH]cn3)N 27a_100000736448_100000764887 [0,1,0,0,0,0|1,0,2]=4 111 B21R3.19185 CN(CC1CCCCC1)c2nc(nc3c2nc[nH]3)F 27a_100000736448_100000061921 [0,1,0,0,0,0|2,0,0]=3 112 B21R3.19185 CN(CC1CCCCO1)c2nc(nc3c2nc[nH]3)F 27a_100000225654_100000061921 [0,1,0,0,0,0|3,0,0]=4 113 B21R3.19185 CN(CC1CCOCC1)c2nc(nc3c2nc[nH]3)F 27a_100025706683_100000061921 [0,1,0,0,0,0|3,0,0]=4 114 B21R3.19185 CN(CC1CCSCC1)c2nc(nc3c2nc[nH]3)F 27a_100011935259_100000061921 [0,1,0,0,0,0|3,0,0]=4 115 B21R3.19185 Cc1nc(c2cc[nH]c2n1)N(C)CC3CCCCC3 27a_100000736448_100000092993 [0,1,0,0,0,0|3,0,0]=4 116 B21R3.35436 CSc1nc(c2cc[nH]c2n1)NCC3CCCCC3 27a_100000210473_100000090414 [0,1,0,0,0,0|3,0,0]=4 117 B21R3.35436 CSc1nc(c2cc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000090414 [0,1,0,0,0,0|2,1,0]=4 118 B21R3.234364 Cc1cc2c(ncn2C)c(n1)NCC3CCCCC3 27a_100000210473_100000091626 [0,1,0,0,0,0|3,0,0]=4 119 B21R3.234364 Cc1cc2c(ncn2C)c(n1)SCC3CCCCC3 62a_100000211423_100000091626 [0,1,0,0,0,0|2,1,0]=4 120 B21R3.234364 Cn1cnc2c1nc(nc2C=CC3CCCCC3)N 271570a_100016283615_100000708713 [0,1,0,0,0,0|1,0,1]=3 121 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCCCC3)N 27a_100000210473_100000708713 [0,1,0,0,0,0|1,0,0]=2 122 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCCCO3)N 27a_100000174945_100000708713 [0,1,0,0,0,0|2,0,0]=3 123 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCCOC3)N 27a_100000720124_100000708713 [0,1,0,0,0,0|2,0,0]=3 124 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCOCC3)N 27a_100000746373_100000708713 [0,1,0,0,0,0|2,0,0]=3 125 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCSCC3)N 27a_100015188806_100000708713 [0,1,0,0,0,0|2,0,0]=3 126 B21R3.234364 Cn1cnc2c1nc(nc2NC[C@H]3COCCO3)N 27a_100010981119_100000708713 [0,1,0,0,0,0|3,0,0]=4 127 B21R3.234364 Cn1cnc2c1nc(nc2SCC3CCCCC3)N 62a_100000211423_100000708713 [0,1,0,0,0,0|0,1,0]=2 128 B21R3.234364 Cn1cnc2c1nc(nc2SCC3CCCCO3)N 62a_100000211543_100000708713 [0,1,0,0,0,0|1,1,0]=3 129 B21R3.234364 Cn1cnc2c1nc(nc2SCC3CCCOC3)N 62a_100000741521_100000708713 [0,1,0,0,0,0|1,1,0]=3 130 B21R3.234364 Cn1cnc2c1nc(nc2SCC3CCOCC3)N 62a_100000754603_100000708713 [0,1,0,0,0,0|1,1,0]=3 131 B21R3.234364 Cn1ncc2c1nc(nc2NCC3CCCCC3)N 27a_100000210473_100000144275 [0,1,0,0,0,0|3,0,0]=4 132 B21R3.234364 Cn1ncc2c1nc(nc2SCC3CCCCC3)N 62a_100000144275_100000211423 [0,1,0,0,0,0|2,1,0]=4 133 B21R3.234364 Cn1ncc2c1nc(nc2SCC3CCCCC3)N 62a_100000211423_100000144275 [0,1,0,0,0,0|2,1,0]=4 134 B21R3.3821304 CN1CCCC(C1)CSc2nc(nc3c2nc[nH]3)F 62a_100000752043_100000061921 [0,1,0,0,0,0|2,1,0]=4 135 B21R3.3821304 CN1CCC[C@H](C1)CNc2nc(nc3c2nc[nH]3)F 27a_100016993746_100000061921 [0,1,0,0,0,0|3,0,0]=4 136 B21R3.3821304 Cc1nc(c2cc[nH]c2n1)NCC3CCCC(C3)O 27a_100011254705_100000092993 [0,1,0,0,0,0|3,0,0]=4 137 B21R3.3821304 Nc1nc(c2[nH]cnc2n1)NCC3CCCC(C3)O 27a_100011254705_100000764887 [0,1,0,0,0,0|1,0,2]=4 138 B21R3.3821304 OC1CCCC(C1)CNc2nc(nc3c2nc[nH]3)F 27a_100011254705_100000061921 [0,1,0,0,0,0|2,0,0]=3 139 B21R3.3966006 CN1CCCCC1CNc2nc(nc3c2nc[nH]3)F 27a_100011228421_100000061921 [0,1,0,0,0,0|3,0,0]=4 140 B21R3.3966006 CN1CCCCC1CSc2nc(nc3c2nc[nH]3)F 62a_100015185383_100000061921 [0,1,0,0,0,0|2,1,0]=4 141 B21R3.3966006 Cc1nc(c2cc[nH]c2n1)NCC3CCCCC3O 27a_100011216029_100000092993 [0,1,0,0,0,0|3,0,0]=4 142 B21R3.3966006 Nc1nc(c2[nH]cnc2n1)NCC3CCCCC3O 27a_100011216029_100000764887 [0,1,0,0,0,0|1,0,2]=4 143 B21R3.3966006 OC1CCCCC1CNc2nc(nc3c2nc[nH]3)F 27a_100011216029_100000061921 [0,1,0,0,0,0|2,0,0]=3 144 B21R3.6822635 CC1(CCCCC1)CNc2nc(nc3c2[nH]cn3)N 27a_100000706052_100000764887 [0,1,0,0,0,0|1,0,2]=4 145 B21R3.6822635 CC1(CCCCC1)CNc2nc(nc3c2nc[nH]3)F 27a_100000706052_100000061921 [0,1,0,0,0,0|2,0,0]=3 146 B21R3.6822635 CC1(CCOCC1)CNc2nc(nc3c2nc[nH]3)F 27a_100000695556_100000061921 [0,1,0,0,0,0|3,0,0]=4 147 B21R3.6822635 Cc1nc(c2cc[nH]c2n1)NCC3(CCCCC3)C 27a_100000706052_100000092993 [0,1,0,0,0,0|3,0,0]=4 148 B21R3.6822635 Cc1nc(c2cc[nH]c2n1)NCC3(CCCCC3)O 27a_100000748649_100000092993 [0,1,0,0,0,0|3,0,0]=4 149 B21R3.6822635 Fc1nc(c2nc[nH]c2n1)NCC3(CCOCC3)F 27a_100016991512_100000061921 [0,1,0,0,0,0|3,0,0]=4 150 B21R3.6822635 Nc1nc(c2[nH]cnc2n1)NCC3(CCCCC3)O 27a_100000748649_100000764887 [0,1,0,0,0,0|1,0,2]=4 151 B21R3.6822635 OC1(CCCCC1)CNc2nc(nc3c2nc[nH]3)F 27a_100000748649_100000061921 [0,1,0,0,0,0|2,0,0]=3 152 B21R3.6822635 OC1(CCOCC1)CNc2nc(nc3c2nc[nH]3)F 27a_100000704115_100000061921 [0,1,0,0,0,0|3,0,0]=4 153 B21R3.6822635 OC1(CCSCC1)CNc2nc(nc3c2nc[nH]3)F 27a_100000758141_100000061921 [0,1,0,0,0,0|3,0,0]=4 154 B21R3.9454399 CC1CCC(CC1)CNc2nc(nc3c2[nH]cn3)N 27a_103436935547_100000764887 [0,1,0,0,0,0|1,0,2]=4 155 B21R3.9454399 CC1CCC(CC1)CNc2nc(nc3c2nc[nH]3)F 27a_103436935547_100000061921 [0,1,0,0,0,0|2,0,0]=3 156 B21R3.9454399 CN1CCC(CC1)CNc2nc(nc3c2nc[nH]3)F 27a_100000746316_100000061921 [0,1,0,0,0,0|3,0,0]=4 157 B21R3.9454399 CN1CCC(CC1)CSc2nc(nc3c2nc[nH]3)F 62a_100015183002_100000061921 [0,1,0,0,0,0|2,1,0]=4 158 B21R3.9454399 Cc1nc(c2cc[nH]c2n1)NCC3CCC(CC3)C 27a_103436935547_100000092993 [0,1,0,0,0,0|3,0,0]=4 159 B19R2.2617 CCNc1cc(nc(n1)N)SCC2CCCCC2 62a_100011228705_100000211423 [0,0,1,0,0,0|1,1,1]=4 160 B19R2.37531 N#Cc1c(nc(nc1NCC2CCCCC2)N)N 27a_100000210473_100010978646 [0,0,1,0,0,0|3,0,0]=4 161 B19R2.37531 N#Cc1c(nc(nc1SCC2CCCCC2)N)N 62a_100000211423_100010978646 [0,0,1,0,0,0|2,1,0]=4 162 B19R2.53686 CCOC(CC)CNc1nc(nc2c1nc[nH]2)F 27a_100015183923_100000061921 [0,0,1,0,0,0|3,0,0]=4 163 B19R2.197864 CCCCCCC=Cc1nc(nc2c1nc[nH]2)N 271570a_200015348155_200000049598 [0,0,1,0,0,0|1,0,1]=3 164 B19R2.197864 CCCCCCCNc1nc(nc2c1[nH]cn2)N 27a_100000229938_100000764887 [0,0,1,0,0,0|1,0,2]=4 165 B19R2.197864 CCCCCCCNc1nc(nc2c1cc[nH]2)C 27a_100000229938_100000092993 [0,0,1,0,0,0|3,0,0]=4 166 B19R2.197864 CCCCCCCNc1nc(nc2c1nc[nH]2)F 27a_100000229938_100000061921 [0,0,1,0,0,0|2,0,0]=3 167 B19R2.197864 CCCCCCCSc1cc(nc2c1cc[nH]2)N 62a_100010168402_100000210316 [0,0,1,0,0,0|2,1,0]=4 168 B19R2.197864 CCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000210614_100000764887 [0,0,1,0,0,0|0,1,2]=4 169 B19R2.197864 CCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100000210316 [0,0,1,0,0,0|0,1,2]=4 170 B19R2.197864 CCCCCCCSc1nc(nc2c1cc[nH]2)C 62a_100000210614_100000092993 [0,0,1,0,0,0|2,1,0]=4 171 B19R2.197864 CCCCCCCSc1nc(nc2c1nc[nH]2)F 62a_100000210614_100000061921 [0,0,1,0,0,0|1,1,0]=3 172 B19R2.197864 CCCCOCCSc1nc(nc2c1nc[nH]2)F 62a_100000743108_100000061921 [0,0,1,0,0,0|2,1,0]=4 173 B19R2.197864 CCCCSCCNc1nc(nc2c1nc[nH]2)F 27a_100025743550_100000061921 [0,0,1,0,0,0|3,0,0]=4 174 B19R2.197864 CCCOCCCNc1nc(nc2c1nc[nH]2)F 27a_100011217757_100000061921 [0,0,1,0,0,0|3,0,0]=4 175 B19R2.197864 COCCCCCNc1nc(nc2c1nc[nH]2)F 27a_100000747528_100000061921 [0,0,1,0,0,0|3,0,0]=4 176 B19R2.197864 FCCCCCCSc1nc(nc2c1nc[nH]2)F 62a_100015922095_100000061921 [0,0,1,0,0,0|2,1,0]=4 177 B19R2.197864 OCCCCCCNc1nc(nc2c1nc[nH]2)F 27a_100000686447_100000061921 [0,0,1,0,0,0|3,0,0]=4 178 B19R2.197864 OCCCCCCSc1nc(nc2c1nc[nH]2)F 62a_100000766143_100000061921 [0,0,1,0,0,0|2,1,0]=4 179 B19R2.199827 CCCOC(C)CNc1nc(nc2c1nc[nH]2)F 27a_100015185124_100000061921 [0,0,1,0,0,0|3,0,0]=4 180 B19R2.199827 C[C@H](CCCO)CNc1nc(nc2c1nc[nH]2)F 27a_100160569302_100000061921 [0,0,1,0,0,0|3,0,0]=4 181 B21R4.478349 Cc1nc(c2cc[nH]c2n1)N3CC4CCC3CC4 27a_100000750499_100000092993 [0,0,0,1,0,0|3,0,0]=4 182 B21R4.478349 Fc1nc(c2nc[nH]c2n1)N3CC4CCC3CC4 27a_100000750499_100000061921 [0,0,0,1,0,0|2,0,0]=3 183 B21R4.478349 Nc1nc(c2[nH]cnc2n1)N3CC4CCC3CC4 27a_100000750499_100000764887 [0,0,0,1,0,0|1,0,2]=4 184 B21R4.478383 Cc1nc(c2cc[nH]c2n1)SC3C4CCC3CC4 62a_100009813300_100000092993 [0,0,0,1,0,0|2,1,0]=4 185 B21R4.478383 Fc1nc(c2nc[nH]c2n1)SC3C4CCC3CC4 62a_100009813300_100000061921 [0,0,0,1,0,0|1,1,0]=3 186 B21R4.478383 Nc1cc(c2cc[nH]c2n1)SC3C4CCC3CC4 62a_100010168402_100009813300 [0,0,0,1,0,0|2,1,0]=4 187 B21R4.478383 Nc1nc(c2[nH]cnc2n1)SC3C4CCC3CC4 62a_100000764887_100009813300 [0,0,0,1,0,0|0,1,2]=4 188 B21R4.478383 Nc1nc(c2[nH]cnc2n1)SC3C4CCC3CC4 62a_100009813300_100000764887 [0,0,0,1,0,0|0,1,2]=4 189 B19R3.284 Cc1nc(c2cc[nH]c2n1)NC3CCCCC3 27a_100000182618_100000092993 [0,0,0,0,1,0|3,0,0]=4 190 B19R3.284 Cc1nc(c2cc[nH]c2n1)SC3CCCCC3 62a_100000210327_100000092993 [0,0,0,0,1,0|2,1,0]=4 191 B19R3.284 Fc1nc(c2nc[nH]c2n1)NC3CCCCC3 27a_100000182618_100000061921 [0,0,0,0,1,0|2,0,0]=3 192 B19R3.284 Fc1nc(c2nc[nH]c2n1)NC3CCCOC3 27a_100000719290_100000061921 [0,0,0,0,1,0|3,0,0]=4 193 B19R3.284 Fc1nc(c2nc[nH]c2n1)NC3CCOCC3 27a_100000741149_100000061921 [0,0,0,0,1,0|3,0,0]=4 194 B19R3.284 Fc1nc(c2nc[nH]c2n1)NC3CCSCC3 27a_100000748639_100000061921 [0,0,0,0,1,0|3,0,0]=4 195 B19R3.284 Fc1nc(c2nc[nH]c2n1)SC3CCCCC3 62a_100000210327_100000061921 [0,0,0,0,1,0|1,1,0]=3 196 B19R3.284 Nc1cc(c2cc[nH]c2n1)SC3CCCCC3 62a_100010168402_100000210327 [0,0,0,0,1,0|2,1,0]=4 197 B19R3.284 Nc1nc(c2[nH]cnc2n1)NC3CCCCC3 27a_100000182618_100000764887 [0,0,0,0,1,0|1,0,2]=4 198 B19R3.284 Nc1nc(c2[nH]cnc2n1)SC3CCCCC3 62a_100000210327_100000764887 [0,0,0,0,1,0|0,1,2]=4 199 B19R3.284 Nc1nc(c2[nH]cnc2n1)SC3CCCCC3 62a_100000764887_100000210327 [0,0,0,0,1,0|0,1,2]=4 200 B19R3.8617 Cc1nc(c2cc[nH]c2n1)NCC3CCCC3 27a_100000737975_100000092993 [0,0,0,0,1,0|3,0,0]=4 201 B19R3.8617 Cc1nc(c2cc[nH]c2n1)SCC3CCCC3 62a_100000740388_100000092993 [0,0,0,0,1,0|2,1,0]=4 202 B19R3.8617 Fc1nc(c2nc[nH]c2n1)NCC3CCCC3 27a_100000737975_100000061921 [0,0,0,0,1,0|2,0,0]=3 203 B19R3.8617 Fc1nc(c2nc[nH]c2n1)NCC3CCOC3 27a_100000737293_100000061921 [0,0,0,0,1,0|3,0,0]=4 204 B19R3.8617 Fc1nc(c2nc[nH]c2n1)NC[C@@H]3CCCO3 27a_100020590478_100000061921 [0,0,0,0,1,0|3,0,0]=4 205 B19R3.8617 Fc1nc(c2nc[nH]c2n1)SCC3CCCC3 62a_100000740388_100000061921 [0,0,0,0,1,0|1,1,0]=3 206 B19R3.8617 Fc1nc(c2nc[nH]c2n1)SCC3CCCO3 62a_100000203698_100000061921 [0,0,0,0,1,0|2,1,0]=4 207 B19R3.8617 Fc1nc(c2nc[nH]c2n1)SCC3CCOC3 62a_100000702531_100000061921 [0,0,0,0,1,0|2,1,0]=4 208 B19R3.8617 Nc1cc(c2cc[nH]c2n1)SCC3CCCC3 62a_100010168402_100000740388 [0,0,0,0,1,0|2,1,0]=4 209 B19R3.8617 Nc1nc(c2[nH]cnc2n1)NCC3CCCC3 27a_100000737975_100000764887 [0,0,0,0,1,0|1,0,2]=4 210 B19R3.8617 Nc1nc(c2[nH]cnc2n1)SCC3CCCC3 62a_100000740388_100000764887 [0,0,0,0,1,0|0,1,2]=4 211 B19R3.8617 Nc1nc(c2[nH]cnc2n1)SCC3CCCC3 62a_100000764887_100000740388 [0,0,0,0,1,0|0,1,2]=4 212 B21R3.19179 Cc1nc(c2cc[nH]c2n1)NCCC3CCCCC3 27a_100000738074_100000092993 [0,0,0,0,0,1|3,0,0]=4 213 B21R3.19179 Cc1nc(c2cc[nH]c2n1)SCCC3CCCCC3 62a_100012355289_100000092993 [0,0,0,0,0,1|2,1,0]=4 214 B21R3.19179 Cc1nc(c2cc[nH]c2n1)SCOC3CCCCC3 62a_100011935260_100000092993 [0,0,0,0,0,1|2,1,0]=4 215 B21R3.19179 Fc1nc(c2nc[nH]c2n1)NCCC3CCCCC3 27a_100000738074_100000061921 [0,0,0,0,0,1|2,0,0]=3 216 B21R3.19179 Fc1nc(c2nc[nH]c2n1)NCCC3CCCCO3 27a_100015183643_100000061921 [0,0,0,0,0,1|3,0,0]=4 217 B21R3.19179 Fc1nc(c2nc[nH]c2n1)NCCC3CCOCC3 27a_100000755988_100000061921 [0,0,0,0,0,1|3,0,0]=4 218 B21R3.19179 Fc1nc(c2nc[nH]c2n1)NCCN3CCCCC3 27a_100000216509_100000061921 [0,0,0,0,0,1|3,0,0]=4 219 B21R3.19179 Fc1nc(c2nc[nH]c2n1)SCCC3CCCCC3 62a_100012355289_100000061921 [0,0,0,0,0,1|1,1,0]=3 220 B21R3.19179 Fc1nc(c2nc[nH]c2n1)SCCC3CCOCC3 62a_100011934994_100000061921 [0,0,0,0,0,1|2,1,0]=4 221 B21R3.19179 Fc1nc(c2nc[nH]c2n1)SCCN3CCCCC3 62a_100000739454_100000061921 [0,0,0,0,0,1|2,1,0]=4 222 B21R3.19179 Fc1nc(c2nc[nH]c2n1)SCOC3CCCCC3 62a_100011935260_100000061921 [0,0,0,0,0,1|1,1,0]=3 223 B21R3.19179 Nc1cc(c2cc[nH]c2n1)SCCC3CCCCC3 62a_100010168402_100012355289 [0,0,0,0,0,1|2,1,0]=4 224 B21R3.19179 Nc1cc(c2cc[nH]c2n1)SCOC3CCCCC3 62a_100010168402_100011935260 [0,0,0,0,0,1|2,1,0]=4 225 B21R3.19179 Nc1nc(c2[nH]cnc2n1)NCCC3CCCCC3 27a_100000738074_100000764887 [0,0,0,0,0,1|1,0,2]=4 226 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCC3CCCCC3 62a_100000764887_100012355289 [0,0,0,0,0,1|0,1,2]=4 227 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCC3CCCCC3 62a_100012355289_100000764887 [0,0,0,0,0,1|0,1,2]=4 228 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCOC3CCCCC3 62a_100000764887_100011935260 [0,0,0,0,0,1|0,1,2]=4 229 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCOC3CCCCC3 62a_100011935260_100000764887 [0,0,0,0,0,1|0,1,2]=4 230 B21R3.19514 Nc1cc2cccnc2c(n1)NCC3CCCCC3 27a_100000210473_100010205410 [0,0,0,0,0,1|3,0,0]=4 231 B21R3.19514 Nc1cc2cccnc2c(n1)SCC3CCCCC3 62a_100000211423_100010205410 [0,0,0,0,0,1|2,1,0]=4 232 B21R3.19514 Nc1cc2cccnc2c(n1)SCC3CCCCC3 62a_100010205410_100000211423 [0,0,0,0,0,1|2,1,0]=4 233 B21R3.409096 Cc1nc(c2cc[nH]c2n1)NCC3CCCCCC3 27a_100015204231_100000092993 [0,0,0,0,0,1|3,0,0]=4 234 B21R3.409096 Cc1nc(c2cc[nH]c2n1)SCC3CCCCCC3 62a_200000696569_100000092993 [0,0,0,0,0,1|2,1,0]=4 235 B21R3.409096 Fc1nc(c2nc[nH]c2n1)NCC3CCCCCC3 27a_100015204231_100000061921 [0,0,0,0,0,1|2,0,0]=3 236 B21R3.409096 Fc1nc(c2nc[nH]c2n1)SCC3CCCCCC3 62a_200000696569_100000061921 [0,0,0,0,0,1|1,1,0]=3 237 B21R3.409096 Nc1cc(c2cc[nH]c2n1)SCC3CCCCCC3 62a_100010168402_200000696569 [0,0,0,0,0,1|2,1,0]=4 238 B21R3.409096 Nc1nc(c2[nH]cnc2n1)NCC3CCCCCC3 27a_100015204231_100000764887 [0,0,0,0,0,1|1,0,2]=4 239 B21R3.409096 Nc1nc(c2[nH]cnc2n1)SCC3CCCCCC3 62a_100000764887_200000696569 [0,0,0,0,0,1|0,1,2]=4 240 B21R3.409096 Nc1nc(c2[nH]cnc2n1)SCC3CCCCCC3 62a_200000696569_100000764887 [0,0,0,0,0,1|0,1,2]=4 241 B18R2.154 CNc1cc(nc(n1)N)SCC2CCCCC2 62a_100011228701_100000211423 [1,0,1,0,0,0|0,1,1]=4 242 B18R2.154 NNc1cc(nc(n1)N)SCC2CCCCC2 62a_100000696133_100000211423 [1,0,1,0,0,0|0,1,1]=4 243 B18R2.12659 Nc1nc(c(c(n1)SCC2CCCCC2)N)N 62a_100000102768_100000211423 [1,0,1,0,0,0|0,1,1]=4 244 B18R2.69417 CCC(CC)CNc1nc(nc2c1nc[nH]2)F 27a_100102946423_100000061921 [1,0,1,0,0,0|2,0,0]=4 245 B18R2.69417 CCC(CC)CSc1nc(nc2c1nc[nH]2)F 62a_100011215472_100000061921 [1,0,1,0,0,0|1,1,0]=4 246 B18R2.81161 CCCC(C)CSc1nc(nc2c1nc[nH]2)F 62a_100011216630_100000061921 [1,0,1,0,0,0|1,1,0]=4 247 B18R2.73847 CCCCCCCNc1ccnc2c1nc[nH]2 27a_100000229938_100009820729 [1,0,1,0,0,0|2,0,0]=4 248 B18R2.73847 CCCCCCCNc1ncnc2c1ncs2 27a_100000229938_100009860286 [1,0,1,0,0,0|2,0,0]=4 249 B18R2.73847 CCCCCCCSc1ccnc2c1nc[nH]2 62a_100000210614_100009820729 [1,0,1,0,0,0|1,1,0]=4 250 B18R2.73847 CCCCCCCSc1nccc2c1nc[nH]2 62a_100000210614_100009820035 [1,0,1,0,0,0|1,1,0]=4 251 B18R2.73847 CCCCCCCSc1ncnc2c1ncs2 62a_100000210614_100009860286 [1,0,1,0,0,0|1,1,0]=4 252 B18R2.99369 CCCCCC=Cc1nc(nc2c1nc[nH]2)N 271570a_100000062253_200000049598 [1,0,1,0,0,0|0,0,2]=4 253 B18R2.99369 CCCCCCNc1nc(nc2c1nc[nH]2)F 27a_100000210581_100000061921 [1,0,1,0,0,0|2,0,0]=4 254 B18R2.99369 CCCCCCSc1nc(nc2c1nc[nH]2)F 62a_100000210314_100000061921 [1,0,1,0,0,0|1,1,0]=4 255 B20R2.2216536 CCCCC(CC)CNc1nc(nc2c1nc[nH]2)F 27a_100000209976_100000061921 [0,1,1,0,0,0|2,0,0]=4 256 B20R2.2216536 CCCCC(CC)CSc1nc(nc2c1nc[nH]2)F 62a_100000211942_100000061921 [0,1,1,0,0,0|1,1,0]=4 257 B20R2.2776465 CCOC(CC)CNc1nc(nc2c1ncn2C)N 27a_100015183923_100000708713 [0,1,1,0,0,0|2,0,0]=4 258 B20R2.8474 CC(C)CCCCCNc1nc(nc2c1nc[nH]2)F 27a_100011290863_100000061921 [0,1,1,0,0,0|2,0,0]=4 259 B20R2.8474 CC(C)CCCCCSc1nc(nc2c1nc[nH]2)F 62a_100000210682_100000061921 [0,1,1,0,0,0|1,1,0]=4 260 B20R2.89331 CCCCCCCC=Cc1nc(nc2c1nc[nH]2)N 271570a_100134823654_200000049598 [0,1,1,0,0,0|1,0,0]=3 261 B20R2.89331 CCCCCCCCNc1nc(nc2c1nc[nH]2)F 27a_100000229939_100000061921 [0,1,1,0,0,0|2,0,0]=4 262 B20R2.89331 CCCCCCCCSc1nc(nc2c1nc[nH]2)F 62a_100000210759_100000061921 [0,1,1,0,0,0|1,1,0]=4 263 B20R2.89331 CCCCOCCCNc1nc(nc2c1nc[nH]2)F 27a_200000211371_100000061921 [0,1,1,0,0,0|2,0,0]=4 264 B20R2.89331 COCCCCCCSc1nc(nc2c1nc[nH]2)F 62a_100011998445_100000061921 [0,1,1,0,0,0|1,1,0]=4 265 B20R2.89331 OCCCCCCCNc1nc(nc2c1nc[nH]2)F 27a_100011996573_100000061921 [0,1,1,0,0,0|2,0,0]=4 266 B20R2.89331 OCCCCCCCSc1nc(nc2c1nc[nH]2)F 62a_100000760002_100000061921 [0,1,1,0,0,0|1,1,0]=4 267 B20R2.1981365 CCCCCCC=Cc1nc(nc2c1ncn2C)N 271570a_200015348155_100000708713 [0,1,1,0,0,0|1,0,1]=4 268 B20R2.1981365 CCCCCCCNc1nc(nc2c1ncn2C)N 27a_100000229938_100000708713 [0,1,1,0,0,0|1,0,0]=3 269 B20R2.1981365 CCCCCCCSc1nc(nc2c1ncn2C)N 62a_100000210614_100000708713 [0,1,1,0,0,0|0,1,0]=3 270 B20R2.1981365 CCCCOCCSc1nc(nc2c1ncn2C)N 62a_100000743108_100000708713 [0,1,1,0,0,0|1,1,0]=4 271 B20R2.1981365 CCCCSCCNc1nc(nc2c1ncn2C)N 27a_100025743550_100000708713 [0,1,1,0,0,0|2,0,0]=4 272 B20R2.1981365 CCCOCCCNc1nc(nc2c1ncn2C)N 27a_100011217757_100000708713 [0,1,1,0,0,0|2,0,0]=4 273 B20R2.1981365 COCCCCCNc1nc(nc2c1ncn2C)N 27a_100000747528_100000708713 [0,1,1,0,0,0|2,0,0]=4 274 B20R2.1981365 Cn1cnc2c1nc(nc2NCCCCCCO)N 27a_100000686447_100000708713 [0,1,1,0,0,0|2,0,0]=4 275 B20R2.1981365 Cn1cnc2c1nc(nc2SCCCCCCF)N 62a_100015922095_100000708713 [0,1,1,0,0,0|1,1,0]=4 276 B20R2.1981365 Cn1cnc2c1nc(nc2SCCCCCCO)N 62a_100000766143_100000708713 [0,1,1,0,0,0|1,1,0]=4 277 B20R2.2394992 CCCCCCC(C)Nc1nc(nc2c1nc[nH]2)F 27a_100000210919_100000061921 [0,1,1,0,0,0|2,0,0]=4 278 B20R2.2394992 CCCCCCC(C)Sc1nc(nc2c1nc[nH]2)F 62a_100011215978_100000061921 [0,1,1,0,0,0|1,1,0]=4 279 B20R2.2743693 CCCCCCCN(C)c1nc(nc2c1nc[nH]2)F 27a_100000228206_100000061921 [0,1,1,0,0,0|2,0,0]=4 280 B20R2.2015789 CCCOC(C)CNc1nc(nc2c1ncn2C)N 27a_100015185124_100000708713 [0,1,1,0,0,0|2,0,0]=4 281 B20R2.2015789 C[C@H](CCCO)CNc1nc(nc2c1ncn2C)N 27a_100160569302_100000708713 [0,1,1,0,0,0|2,0,0]=4 282 B20R3.17 Cn1ccc2c1ncnc2NCC3CCCCC3 27a_100000210473_100000076352 [1,1,0,0,0,0|2,0,0]=4 283 B20R3.17 Cn1ccc2c1ncnc2SCC3CCCCC3 62a_100000211423_100000076352 [1,1,0,0,0,0|1,1,0]=4 284 B20R3.17 Cn1cnc2c1ccnc2NCC3CCCCC3 27a_100000210473_100000075535 [1,1,0,0,0,0|2,0,0]=4 285 B20R3.17 Cn1cnc2c1ccnc2SCC3CCCCC3 62a_100000211423_100000075535 [1,1,0,0,0,0|1,1,0]=4 286 B20R3.17 Cn1cnc2c1ncnc2C=CC3CCCCC3 271570a_100016283615_100000058137 [1,1,0,0,0,0|1,0,1]=4 287 B20R3.17 Cn1cnc2c1ncnc2NCC3CCCCC3 27a_100000210473_100000058137 [1,1,0,0,0,0|1,0,0]=3 288 B20R3.17 Cn1cnc2c1ncnc2NCC3CCCCO3 27a_100000174945_100000058137 [1,1,0,0,0,0|2,0,0]=4 289 B20R3.17 Cn1cnc2c1ncnc2NCC3CCCOC3 27a_100000720124_100000058137 [1,1,0,0,0,0|2,0,0]=4 290 B20R3.17 Cn1cnc2c1ncnc2NCC3CCOCC3 27a_100000746373_100000058137 [1,1,0,0,0,0|2,0,0]=4 291 B20R3.17 Cn1cnc2c1ncnc2NCC3CCSCC3 27a_100015188806_100000058137 [1,1,0,0,0,0|2,0,0]=4 292 B20R3.17 Cn1cnc2c1ncnc2SCC3CCCCC3 62a_100000211423_100000058137 [1,1,0,0,0,0|0,1,0]=3 293 B20R3.17 Cn1cnc2c1ncnc2SCC3CCCCO3 62a_100000211543_100000058137 [1,1,0,0,0,0|1,1,0]=4 294 B20R3.17 Cn1cnc2c1ncnc2SCC3CCCOC3 62a_100000741521_100000058137 [1,1,0,0,0,0|1,1,0]=4 295 B20R3.17 Cn1cnc2c1ncnc2SCC3CCOCC3 62a_100000754603_100000058137 [1,1,0,0,0,0|1,1,0]=4 296 B20R3.13423 OC1CCCCC1CNc2ccnc3c2nc[nH]3 27a_100011216029_100009820729 [1,1,0,0,0,0|2,0,0]=4 297 B20R3.13423 OC1CCCCC1CNc2ncnc3c2ncs3 27a_100011216029_100009860286 [1,1,0,0,0,0|2,0,0]=4 298 B20R3.14321 Cc1cc2c(ncnc2[nH]1)NCC3CCCCC3 27a_100000210473_100009847220 [1,1,0,0,0,0|2,0,0]=4 299 B20R3.14321 Cc1cc2c(ncnc2[nH]1)SCC3CCCCC3 62a_100000211423_100009847220 [1,1,0,0,0,0|1,1,0]=4 300 B20R3.14321 O=C1Cc2c(ncnc2SCC3CCCCC3)N1 62a_100000211423_100000094081 [1,1,0,0,0,0|1,1,0]=4 301 B20R3.19885 CC1CCC(CC1)CNc2ccnc3c2nc[nH]3 27a_103436935547_100009820729 [1,1,0,0,0,0|2,0,0]=4 302 B20R3.19885 CC1CCC(CC1)CNc2ncnc3c2ncs3 27a_103436935547_100009860286 [1,1,0,0,0,0|2,0,0]=4 303 B20R3.91480 OC1CCCC(C1)CNc2ccnc3c2nc[nH]3 27a_100011254705_100009820729 [1,1,0,0,0,0|2,0,0]=4 304 B20R3.91480 OC1CCCC(C1)CNc2ncnc3c2ncs3 27a_100011254705_100009860286 [1,1,0,0,0,0|2,0,0]=4 305 B20R3.275194 Fc1cnc(c2c1[nH]cn2)SCC3CCCCC3 62a_100000211423_100009853726 [1,1,0,0,0,0|1,1,0]=4 306 B20R3.331218 CN(CC1CCCCC1)c2ccnc3c2nc[nH]3 27a_100000736448_100009820729 [1,1,0,0,0,0|2,0,0]=4 307 B20R3.331218 CN(CC1CCCCC1)c2ncnc3c2ncs3 27a_100000736448_100009860286 [1,1,0,0,0,0|2,0,0]=4 308 B20R3.331576 C[C@@H](Nc1ccnc2c1nc[nH]2)C3CCCCC3 27a_100025707633_100009820729 [1,1,0,0,0,0|2,0,0]=4 309 B20R3.331576 C[C@@H](Nc1ncnc2c1ncs2)C3CCCCC3 27a_100025707633_100009860286 [1,1,0,0,0,0|2,0,0]=4 310 B20R3.3240834 CC1(CCCCC1)CNc2ccnc3c2nc[nH]3 27a_100000706052_100009820729 [1,1,0,0,0,0|2,0,0]=4 311 B20R3.3240834 CC1(CCCCC1)CNc2ncnc3c2ncs3 27a_100000706052_100009860286 [1,1,0,0,0,0|2,0,0]=4 312 B20R3.3240834 OC1(CCCCC1)CNc2ccnc3c2nc[nH]3 27a_100000748649_100009820729 [1,1,0,0,0,0|2,0,0]=4 313 B20R3.3240834 OC1(CCCCC1)CNc2ncnc3c2ncs3 27a_100000748649_100009860286 [1,1,0,0,0,0|2,0,0]=4 314 B20R3.3278134 Cc1c[nH]c2c1c(ncn2)NCC3CCCCC3 27a_100000210473_100000092391 [1,1,0,0,0,0|2,0,0]=4 315 B20R3.3278134 Cc1c[nH]c2c1c(ncn2)SCC3CCCCC3 62a_100000211423_100000092391 [1,1,0,0,0,0|1,1,0]=4 316 B20R3.3278134 Fc1c[nH]c2c1c(ncn2)NCC3CCCCC3 27a_100000210473_100009880486 [1,1,0,0,0,0|2,0,0]=4 317 B20R3.3278134 Fc1c[nH]c2c1c(ncn2)SCC3CCCCC3 62a_100000211423_100009880486 [1,1,0,0,0,0|1,1,0]=4 318 B20R3.12663 CN(c1nc(nc2c1nc[nH]2)F)C3CCCCC3 27a_100000207522_100000061921 [0,1,0,0,1,0|2,0,0]=4 319 B20R3.141796 Cn1cnc2c1nc(nc2NC3CCCCC3)N 27a_100000182618_100000708713 [0,1,0,0,1,0|1,0,0]=3 320 B20R3.141796 Cn1cnc2c1nc(nc2NC3CCCOC3)N 27a_100000719290_100000708713 [0,1,0,0,1,0|2,0,0]=4 321 B20R3.141796 Cn1cnc2c1nc(nc2NC3CCOCC3)N 27a_100000741149_100000708713 [0,1,0,0,1,0|2,0,0]=4 322 B20R3.141796 Cn1cnc2c1nc(nc2NC3CCSCC3)N 27a_100000748639_100000708713 [0,1,0,0,1,0|2,0,0]=4 323 B20R3.141796 Cn1cnc2c1nc(nc2SC3CCCCC3)N 62a_100000210327_100000708713 [0,1,0,0,1,0|0,1,0]=3 324 B20R3.2789705 CC1CCCC(C1)Nc2nc(nc3c2nc[nH]3)F 27a_100011194320_100000061921 [0,1,0,0,1,0|2,0,0]=4 325 B20R3.2789705 OC1CCCC(C1)Nc2nc(nc3c2nc[nH]3)F 27a_100015190357_100000061921 [0,1,0,0,1,0|2,0,0]=4 326 B20R3.4714706 CC1CCCCC1Nc2nc(nc3c2nc[nH]3)F 27a_100000211402_100000061921 [0,1,0,0,1,0|2,0,0]=4 327 B20R3.4714706 Fc1nc(c2nc[nH]c2n1)N[C@@H]3CCCC[C@H]3F 27a_100015195156_100000061921 [0,1,0,0,1,0|2,0,0]=4 328 B20R3.4714706 Fc1nc(c2nc[nH]c2n1)SC3CCCCC3F 62a_100015423560_100000061921 [0,1,0,0,1,0|1,1,0]=4 329 B20R3.4714706 OC1CCCCC1Sc2nc(nc3c2nc[nH]3)F 62a_100000038908_100000061921 [0,1,0,0,1,0|1,1,0]=4 330 B20R3.4714706 O[C@H]1CCCC[C@H]1Nc2nc(nc3c2nc[nH]3)F 27a_100015191688_100000061921 [0,1,0,0,1,0|2,0,0]=4 331 B20R3.5840705 C[C@H]1CC[C@@H](CC1)Nc2nc(nc3c2nc[nH]3)F 27a_100020625639_100000061921 [0,1,0,0,1,0|2,0,0]=4 332 B20R3.5840705 O[C@H]1CC[C@H](CC1)Nc2nc(nc3c2nc[nH]3)F 27a_100020628982_100000061921 [0,1,0,0,1,0|2,0,0]=4 333 B20R3.12657 CC(Nc1nc(nc2c1nc[nH]2)F)C3CCCC3 27a_100015185923_100000061921 [0,1,0,0,1,0|2,0,0]=4 334 B20R3.3280069 Cn1cnc2c1nc(nc2NCC3CCCC3)N 27a_100000737975_100000708713 [0,1,0,0,1,0|1,0,0]=3 335 B20R3.3280069 Cn1cnc2c1nc(nc2NCC3CCOC3)N 27a_100000737293_100000708713 [0,1,0,0,1,0|2,0,0]=4 336 B20R3.3280069 Cn1cnc2c1nc(nc2NC[C@@H]3CCCO3)N 27a_100020590478_100000708713 [0,1,0,0,1,0|2,0,0]=4 337 B20R3.3280069 Cn1cnc2c1nc(nc2SCC3CCCC3)N 62a_100000740388_100000708713 [0,1,0,0,1,0|0,1,0]=3 338 B20R3.3280069 Cn1cnc2c1nc(nc2SCC3CCCO3)N 62a_100000203698_100000708713 [0,1,0,0,1,0|1,1,0]=4 339 B20R3.3280069 Cn1cnc2c1nc(nc2SCC3CCOC3)N 62a_100000702531_100000708713 [0,1,0,0,1,0|1,1,0]=4 340 B20R3.4473588 OC1(CCCC1)CNc2nc(nc3c2nc[nH]3)F 27a_100000737848_100000061921 [0,1,0,0,1,0|2,0,0]=4 341 B20R3.40385110 CCC1(CCC1)CNc2nc(nc3c2nc[nH]3)F 27a_100000685557_100000061921 [0,0,1,1,0,0|2,0,0]=4 342 B20R3.12658 Fc1nc(c2nc[nH]c2n1)NCCC3CCCC3 27a_100000739158_100000061921 [0,0,1,1,0,0|2,0,0]=4 343 B20R3.12658 Fc1nc(c2nc[nH]c2n1)SCCC3CCCC3 62a_100000760354_100000061921 [0,0,1,1,0,0|1,1,0]=4 344 B20R3.12658 Nc1nc(c2nc[nH]c2n1)C#CCC3CCCC3 271570a_200010126907_200000049598 [0,0,1,1,0,0|1,0,1]=4 345 B20R3.12658 Nc1nc(c2nc[nH]c2n1)C=CCC3CCCC3 271570a_200000069456_200000049598 [0,0,1,1,0,0|1,0,1]=4 346 B20R3.258239 Fc1nc(c2nc[nH]c2n1)N3CCCCCCC3 27a_100000211400_100000061921 [0,0,1,1,0,0|2,0,0]=4 347 B20R3.258283 Fc1nc(c2nc[nH]c2n1)NC3CCCCCC3 27a_100000210984_100000061921 [0,0,1,1,0,0|2,0,0]=4 348 B20R3.258283 Fc1nc(c2nc[nH]c2n1)SC3CCCCCC3 62a_100011217769_100000061921 [0,0,1,1,0,0|1,1,0]=4 349 B20R3.2248423 CCC1CCCCN1c2nc(nc3c2nc[nH]3)F 27a_100000210034_100000061921 [0,0,1,1,0,0|2,0,0]=4 350 B20R4.1724787 c1cc(c2nc[nH]c2n1)SC3C4CCC3CC4 62a_100009813300_100009820729 [1,0,0,1,0,0|1,1,0]=4 351 B20R4.1724787 c1cc2[nH]cnc2c(n1)SC3C4CCC3CC4 62a_100009813300_100009820035 [1,0,0,1,0,0|1,1,0]=4 352 B20R4.1724787 c1nc(c2ncsc2n1)SC3C4CCC3CC4 62a_100009813300_100009860286 [1,0,0,1,0,0|1,1,0]=4 353 B20R4.1726537 c1cc(c2nc[nH]c2n1)N3CC4CCC3CC4 27a_100000750499_100009820729 [1,0,0,1,0,0|2,0,0]=4 354 B20R4.1726537 c1nc(c2ncsc2n1)N3CC4CCC3CC4 27a_100000750499_100009860286 [1,0,0,1,0,0|2,0,0]=4 355 B20R4.268852 Fc1nc(c2nc[nH]c2n1)N3C4CCC3CC4 27a_100000735658_100000061921 [0,0,0,1,1,0|2,0,0]=4 356 B20R4.268869 Fc1nc(c2nc[nH]c2n1)N3CC4CCC3C4 27a_100000743476_100000061921 [0,0,0,1,1,0|2,0,0]=4 357 B22R4.593520 Fc1nc(c2nc[nH]c2n1)N3C[C@H]4CCCC[C@H]4C3 27a_100015204113_100000061921 [0,1,0,1,0,0|2,0,0]=4 358 B22R4.59456276 Cn1cnc2c1nc(nc2N3CC4CCC3CC4)N 27a_100000750499_100000708713 [0,1,0,1,0,0|1,0,0]=3 359 B22R4.59456498 Cn1cnc2c1nc(nc2SC3C4CCC3CC4)N 62a_100009813300_100000708713 [0,1,0,1,0,0|0,1,0]=3 360 B18R2.898410 CCCC(CC)Nc1nc(nc2c1nc[nH]2)F 27a_100000747048_100000061921 [0,0,1,0,1,0|2,0,0]=4 361 B18R2.898410 CCCC(CC)Sc1nc(nc2c1nc[nH]2)F 62a_100011219200_100000061921 [0,0,1,0,1,0|1,1,0]=4 362 B18R2.290042 CCCCC(C)Nc1nc(nc2c1nc[nH]2)F 27a_100000126638_100000061921 [0,0,1,0,1,0|2,0,0]=4 363 B18R2.290042 CCCCC(C)Sc1nc(nc2c1nc[nH]2)F 62a_200011215066_100000061921 [0,0,1,0,1,0|1,1,0]=4 364 B18R3.2115 c1cc(c2nc[nH]c2n1)NC3CCCCC3 27a_100000182618_100009820729 [1,0,0,0,1,0|2,0,0]=4 365 B18R3.2115 c1cc(c2nc[nH]c2n1)SC3CCCCC3 62a_100000210327_100009820729 [1,0,0,0,1,0|1,1,0]=4 366 B18R3.2115 c1cc2[nH]cnc2c(n1)SC3CCCCC3 62a_100000210327_100009820035 [1,0,0,0,1,0|1,1,0]=4 367 B18R3.2115 c1nc(c2ncsc2n1)NC3CCCCC3 27a_100000182618_100009860286 [1,0,0,0,1,0|2,0,0]=4 368 B18R3.2115 c1nc(c2ncsc2n1)SC3CCCCC3 62a_100000210327_100009860286 [1,0,0,0,1,0|1,1,0]=4 369 B18R3.12721 c1cc(c2nc[nH]c2n1)NCC3CCCC3 27a_100000737975_100009820729 [1,0,0,0,1,0|2,0,0]=4 370 B18R3.12721 c1cc(c2nc[nH]c2n1)SCC3CCCC3 62a_100000740388_100009820729 [1,0,0,0,1,0|1,1,0]=4 371 B18R3.12721 c1cc2[nH]cnc2c(n1)SCC3CCCC3 62a_100000740388_100009820035 [1,0,0,0,1,0|1,1,0]=4 372 B18R3.12721 c1nc(c2ncsc2n1)NCC3CCCC3 27a_100000737975_100009860286 [1,0,0,0,1,0|2,0,0]=4 373 B18R3.12721 c1nc(c2ncsc2n1)SCC3CCCC3 62a_100000740388_100009860286 [1,0,0,0,1,0|1,1,0]=4 374 B18R3.174 Nc1nc(c2nc[nH]c2n1)C3=CCCCC3 271570a_100000062251_200000049598 [0,0,0,0,2,0|0,0,2]=4 375 B18R3.6125 Fc1nc(c2nc[nH]c2n1)NC3CCCC3 27a_100000211070_100000061921 [0,0,0,0,2,0|2,0,0]=4 376 B18R3.6125 Fc1nc(c2nc[nH]c2n1)SC3CCCC3 62a_100011217020_100000061921 [0,0,0,0,2,0|1,1,0]=4 377 B18R3.6125 Nc1nc(c2nc[nH]c2n1)C=C3CCCC3 271570a_100010378317_200000049598 [0,0,0,0,2,0|0,0,2]=4 378 B18R3.92031 Fc1nc(c2nc[nH]c2n1)NCC3CCC3 27a_100000738700_100000061921 [0,0,0,0,2,0|2,0,0]=4 379 B18R3.92031 Fc1nc(c2nc[nH]c2n1)SCC3CCC3 62a_100000763275_100000061921 [0,0,0,0,2,0|1,1,0]=4 380 B20R3.2720 c1cnc2c(ncnc2c1)NCC3CCCCC3 27a_100000210473_100000063688 [1,0,0,0,0,1|2,0,0]=4 381 B20R3.2720 c1cnc2c(ncnc2c1)SCC3CCCCC3 62a_100000211423_100000063688 [1,0,0,0,0,1|1,1,0]=4 382 B20R3.30250 c1cc(c2nc[nH]c2n1)NCCC3CCCCC3 27a_100000738074_100009820729 [1,0,0,0,0,1|2,0,0]=4 383 B20R3.30250 c1cc(c2nc[nH]c2n1)SCCC3CCCCC3 62a_100012355289_100009820729 [1,0,0,0,0,1|1,1,0]=4 384 B20R3.30250 c1cc(c2nc[nH]c2n1)SCOC3CCCCC3 62a_100011935260_100009820729 [1,0,0,0,0,1|1,1,0]=4 385 B20R3.30250 c1cc2[nH]cnc2c(n1)SCCC3CCCCC3 62a_100012355289_100009820035 [1,0,0,0,0,1|1,1,0]=4 386 B20R3.30250 c1cc2[nH]cnc2c(n1)SCOC3CCCCC3 62a_100011935260_100009820035 [1,0,0,0,0,1|1,1,0]=4 387 B20R3.30250 c1nc(c2ncsc2n1)NCCC3CCCCC3 27a_100000738074_100009860286 [1,0,0,0,0,1|2,0,0]=4 388 B20R3.30250 c1nc(c2ncsc2n1)SCCC3CCCCC3 62a_100012355289_100009860286 [1,0,0,0,0,1|1,1,0]=4 389 B20R3.30250 c1nc(c2ncsc2n1)SCOC3CCCCC3 62a_100011935260_100009860286 [1,0,0,0,0,1|1,1,0]=4 390 B20R3.1869410 c1cc(c2nc[nH]c2n1)NCC3CCCCCC3 27a_100015204231_100009820729 [1,0,0,0,0,1|2,0,0]=4 391 B20R3.1869410 c1cc(c2nc[nH]c2n1)SCC3CCCCCC3 62a_200000696569_100009820729 [1,0,0,0,0,1|1,1,0]=4 392 B20R3.1869410 c1cc2[nH]cnc2c(n1)SCC3CCCCCC3 62a_200000696569_100009820035 [1,0,0,0,0,1|1,1,0]=4 393 B20R3.1869410 c1nc(c2ncsc2n1)NCC3CCCCCC3 27a_100015204231_100009860286 [1,0,0,0,0,1|2,0,0]=4 394 B20R3.1869410 c1nc(c2ncsc2n1)SCC3CCCCCC3 62a_200000696569_100009860286 [1,0,0,0,0,1|1,1,0]=4 395 B20R3.404 Cc1nc2[nH]cnc2cc1SCC3CCCCC3 62a_100000211423_100000689652 [0,0,0,0,1,1|1,1,0]=4 396 B20R3.404 Cc1nc2[nH]cnc2cc1SCC3CCCCC3 62a_100000689652_100000211423 [0,0,0,0,1,1|1,1,0]=4 397 B20R3.404 Nc1cc2[nH]cnc2cc1SCC3CCCCC3 62a_100000211423_200010336578 [0,0,0,0,1,1|1,1,0]=4 398 B20R3.404 Nc1cc2[nH]cnc2cc1SCC3CCCCC3 62a_200010336578_100000211423 [0,0,0,0,1,1|1,1,0]=4 399 B20R3.404 Nc1nc2[nH]ccc2cc1SCC3CCCCC3 62a_100010168486_100000211423 [0,0,0,0,1,1|1,1,0]=4