0 B20R3.12656 Brc1cc(c2nccn2c1)OCC3CCCCC3 34a_100010074634_100000211423 [0,0,0,0,0,0|4,0,0]=4 1 B20R3.12656 Brc1cc(c2nccn2c1)OCC3CCCCC3 7a_100010074634_100000211423 [0,0,0,0,0,0|4,0,0]=4 2 B20R3.12656 Cc1cc2[nH]ccc2c(n1)SCC3CCCCC3 62a_100000211423_100009880406 [0,0,0,0,0,0|2,1,0]=3 3 B20R3.12656 Cc1cc2[nH]ccc2c(n1)SCC3CCCCO3 62a_100000211543_100009880406 [0,0,0,0,0,0|3,1,0]=4 4 B20R3.12656 Cc1cc2[nH]ccc2c(n1)SCC3CCCOC3 62a_100000741521_100009880406 [0,0,0,0,0,0|3,1,0]=4 5 B20R3.12656 Cc1cc2[nH]ccc2c(n1)SCC3CCOCC3 62a_100000754603_100009880406 [0,0,0,0,0,0|3,1,0]=4 6 B20R3.12656 Cc1nc(c2cc[nH]c2n1)NCC3CCCCC3 27a_100000210473_100000092993 [0,0,0,0,0,0|4,0,0]=4 7 B20R3.12656 Cc1nc(c2cc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000092993 [0,0,0,0,0,0|3,1,0]=4 8 B20R3.12656 Fc1cc(c2cc[nH]c2c1)NCC3CCCCC3 34a_100000085186_100000211423 [0,0,0,0,0,0|4,0,0]=4 9 B20R3.12656 Fc1cc(c2cc[nH]c2c1)SCC3CCCCC3 62a_100000211423_100010188273 [0,0,0,0,0,0|3,1,0]=4 10 B20R3.12656 Fc1cc(c2cc[nH]c2c1)SCC3CCCCC3 62a_100010188273_100000211423 [0,0,0,0,0,0|3,1,0]=4 11 B20R3.12656 Fc1cc(c2nc[nH]c2c1)C=CC3CCCCC3 271570a_100016283615_100010192642 [0,0,0,0,0,0|3,0,1]=4 12 B20R3.12656 Fc1cc(c2nc[nH]c2c1)SCC3CCCCC3 62a_100000211423_100010192642 [0,0,0,0,0,0|2,1,0]=3 13 B20R3.12656 Fc1cc(c2nc[nH]c2c1)SCC3CCCCC3 62a_100010192642_100000211423 [0,0,0,0,0,0|2,1,0]=3 14 B20R3.12656 Fc1cc(c2nc[nH]c2c1)SCC3CCCCO3 62a_100000211543_100010192642 [0,0,0,0,0,0|3,1,0]=4 15 B20R3.12656 Fc1cc(c2nc[nH]c2c1)SCC3CCCCO3 62a_100010192642_100000211543 [0,0,0,0,0,0|3,1,0]=4 16 B20R3.12656 Fc1cc(c2nc[nH]c2c1)SCC3CCCOC3 62a_100000741521_100010192642 [0,0,0,0,0,0|3,1,0]=4 17 B20R3.12656 Fc1cc(c2nc[nH]c2c1)SCC3CCCOC3 62a_100010192642_100000741521 [0,0,0,0,0,0|3,1,0]=4 18 B20R3.12656 Fc1cc(c2nc[nH]c2c1)SCC3CCOCC3 62a_100000754603_100010192642 [0,0,0,0,0,0|3,1,0]=4 19 B20R3.12656 Fc1cc(c2nc[nH]c2c1)SCC3CCOCC3 62a_100010192642_100000749018 [0,0,0,0,0,0|3,1,0]=4 20 B20R3.12656 Fc1cc(c2ncoc2c1)SCC3CCCCC3 62a_100000211423_100016120941 [0,0,0,0,0,0|3,1,0]=4 21 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCCCC3 27a_100000210473_100000061921 [0,0,0,0,0,0|3,0,0]=3 22 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCCCO3 27a_100000174945_100000061921 [0,0,0,0,0,0|4,0,0]=4 23 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCCOC3 27a_100000720124_100000061921 [0,0,0,0,0,0|4,0,0]=4 24 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCOCC3 27a_100000746373_100000061921 [0,0,0,0,0,0|4,0,0]=4 25 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCSCC3 27a_100015188806_100000061921 [0,0,0,0,0,0|4,0,0]=4 26 B20R3.12656 Fc1nc(c2nc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000061921 [0,0,0,0,0,0|2,1,0]=3 27 B20R3.12656 Fc1nc(c2nc[nH]c2n1)SCC3CCCCO3 62a_100000211543_100000061921 [0,0,0,0,0,0|3,1,0]=4 28 B20R3.12656 Fc1nc(c2nc[nH]c2n1)SCC3CCCOC3 62a_100000741521_100000061921 [0,0,0,0,0,0|3,1,0]=4 29 B20R3.12656 Fc1nc(c2nc[nH]c2n1)SCC3CCOCC3 62a_100000754603_100000061921 [0,0,0,0,0,0|3,1,0]=4 30 B20R3.12656 Nc1cc(c2cc[nH]c2c1)C=CC3CCCCC3 271570a_100016283615_100010006569 [0,0,0,0,0,0|3,0,1]=4 31 B20R3.12656 Nc1cc(c2cc[nH]c2c1)SCC3CCCCC3 62a_100000211423_100010006569 [0,0,0,0,0,0|2,1,0]=3 32 B20R3.12656 Nc1cc(c2cc[nH]c2c1)SCC3CCCCO3 62a_100000211543_100010006569 [0,0,0,0,0,0|3,1,0]=4 33 B20R3.12656 Nc1cc(c2cc[nH]c2c1)SCC3CCCOC3 62a_100000741521_100010006569 [0,0,0,0,0,0|3,1,0]=4 34 B20R3.12656 Nc1cc(c2cc[nH]c2c1)SCC3CCOCC3 62a_100000754603_100010006569 [0,0,0,0,0,0|3,1,0]=4 35 B20R3.12656 Nc1cc(c2cc[nH]c2n1)SCC3CCCCC3 62a_100010168402_100000211423 [0,0,0,0,0,0|3,1,0]=4 36 B20R3.12656 Nc1cc(c2cn[nH]c2c1)SCC3CCCCC3 62a_100000211423_100010185947 [0,0,0,0,0,0|3,1,0]=4 37 B20R3.12656 Nc1cc(c2cn[nH]c2c1)SCC3CCCCC3 62a_100010185947_100000211423 [0,0,0,0,0,0|3,1,0]=4 38 B20R3.12656 Nc1cc(c2scnc2c1)SCC3CCCCC3 62a_100000211423_200010333430 [0,0,0,0,0,0|2,1,1]=4 39 B20R3.12656 Nc1cc(c2scnc2c1)SCC3CCCCC3 62a_200010333430_100000211423 [0,0,0,0,0,0|2,1,1]=4 40 B20R3.12656 Nc1nc(c-2ccnc2[nH]1)NCC3CCCCC3 27a_100000210473_100000068727 [0,0,0,0,0,0|3,0,1]=4 41 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCCCC3 27a_100000210473_100000764887 [0,0,0,0,0,0|2,0,2]=4 42 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCCC3 62a_100000211423_100000764887 [0,0,0,0,0,0|1,1,2]=4 43 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCCC3 62a_100000764887_100000211423 [0,0,0,0,0,0|1,1,2]=4 44 B20R3.12656 Nc1nc(c2nc[nH]c2n1)C=CC3CCCCC3 271570a_100016283615_200000049598 [0,0,0,0,0,0|2,0,1]=3 45 B19R3.19245 C(=CC1CCCCC1)c2cccc3c2nc[nH]3 271570a_100016283615_100011935113 [1,0,0,0,0,0|2,0,1]=4 46 B19R3.19245 C(=CC1CCCCC1)c2nccc3c2cc[nH]3 271570a_100016283615_100000086534 [1,0,0,0,0,0|2,0,1]=4 47 B19R3.19245 C(=CC1CCCCC1)c2nccc3c2nc[nH]3 271570a_100016283615_100009820035 [1,0,0,0,0,0|1,0,1]=3 48 B19R3.19245 c1cc(c2cc[nH]c2c1)OCC3CCCCC3 34a_100000763377_100000211423 [1,0,0,0,0,0|2,0,0]=3 49 B19R3.19245 c1cc(c2cc[nH]c2c1)OCC3CCCCO3 34a_100000763377_100000211543 [1,0,0,0,0,0|3,0,0]=4 50 B19R3.19245 c1cc(c2cc[nH]c2c1)OCC3CCCOC3 34a_100000763377_100000741521 [1,0,0,0,0,0|3,0,0]=4 51 B19R3.19245 c1cc(c2cc[nH]c2c1)OCC3CCOCC3 34a_100000763377_100000754603 [1,0,0,0,0,0|3,0,0]=4 52 B19R3.19245 c1cc(c2cc[nH]c2c1)SCC3CCCCC3 62a_100000211423_100000685724 [1,0,0,0,0,0|2,1,0]=4 53 B19R3.19245 c1cc(c2ccsc2c1)OCC3CCCCC3 34a_100000077759_100000211423 [1,0,0,0,0,0|3,0,0]=4 54 B19R3.19245 c1cc(c2ccsc2c1)OCC3CCCCC3 7a_100000077759_100000211423 [1,0,0,0,0,0|3,0,0]=4 55 B19R3.19245 c1cc(c2nc[nH]c2c1)SCC3CCCCC3 62a_100000211423_100011935113 [1,0,0,0,0,0|1,1,0]=3 56 B19R3.19245 c1cc(c2nc[nH]c2c1)SCC3CCCCO3 62a_100000211543_100011935113 [1,0,0,0,0,0|2,1,0]=4 57 B19R3.19245 c1cc(c2nc[nH]c2c1)SCC3CCCOC3 62a_100000741521_100011935113 [1,0,0,0,0,0|2,1,0]=4 58 B19R3.19245 c1cc(c2nc[nH]c2c1)SCC3CCOCC3 62a_100000754603_100011935113 [1,0,0,0,0,0|2,1,0]=4 59 B19R3.19245 c1cc(c2nc[nH]c2n1)NCC3CCCCC3 27a_100000210473_100009820729 [1,0,0,0,0,0|3,0,0]=4 60 B19R3.19245 c1cc(c2nc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100009820729 [1,0,0,0,0,0|2,1,0]=4 61 B19R3.19245 c1cc(c2nccn2c1)OCC3CCCCC3 34a_100000068405_100000211423 [1,0,0,0,0,0|3,0,0]=4 62 B19R3.19245 c1cc(c2nccn2c1)OCC3CCCCC3 7a_100000068405_100000211423 [1,0,0,0,0,0|3,0,0]=4 63 B19R3.19245 c1cc(c2ncoc2c1)NCC3CCCCC3 34a_100000717946_100000211423 [1,0,0,0,0,0|3,0,0]=4 64 B19R3.19245 c1cc(c2ncoc2c1)SCC3CCCCC3 62a_100000211423_100009816834 [1,0,0,0,0,0|2,1,0]=4 65 B19R3.19245 c1cc(c2ncsc2c1)OCC3CCCCC3 34a_100000101385_100000211423 [1,0,0,0,0,0|2,0,0]=3 66 B19R3.19245 c1cc(c2ncsc2c1)OCC3CCCCC3 7a_100000101385_100000211423 [1,0,0,0,0,0|2,0,0]=3 67 B19R3.19245 c1cc(c2ncsc2c1)OCC3CCCCO3 34a_100000101385_100000211543 [1,0,0,0,0,0|3,0,0]=4 68 B19R3.19245 c1cc(c2ncsc2c1)OCC3CCCCO3 7a_100000101385_100000211543 [1,0,0,0,0,0|3,0,0]=4 69 B19R3.19245 c1cc(c2ncsc2c1)OCC3CCCOC3 34a_100000101385_100000741521 [1,0,0,0,0,0|3,0,0]=4 70 B19R3.19245 c1cc(c2ncsc2c1)OCC3CCCOC3 7a_100000101385_100000741521 [1,0,0,0,0,0|3,0,0]=4 71 B19R3.19245 c1cc(c2ncsc2c1)OCC3CCOCC3 34a_100000101385_100000754603 [1,0,0,0,0,0|3,0,0]=4 72 B19R3.19245 c1cc(c2ncsc2c1)OCC3CCOCC3 7a_100000101385_100000754603 [1,0,0,0,0,0|3,0,0]=4 73 B19R3.19245 c1cc(c2ncsc2c1)SCC3CCCCC3 62a_100000211423_100000726125 [1,0,0,0,0,0|2,1,0]=4 74 B19R3.19245 c1cc2[nH]ccc2c(n1)SCC3CCCCC3 62a_100000211423_100000086534 [1,0,0,0,0,0|1,1,0]=3 75 B19R3.19245 c1cc2[nH]ccc2c(n1)SCC3CCCCO3 62a_100000211543_100000086534 [1,0,0,0,0,0|2,1,0]=4 76 B19R3.19245 c1cc2[nH]ccc2c(n1)SCC3CCCOC3 62a_100000741521_100000086534 [1,0,0,0,0,0|2,1,0]=4 77 B19R3.19245 c1cc2[nH]ccc2c(n1)SCC3CCOCC3 62a_100000754603_100000086534 [1,0,0,0,0,0|2,1,0]=4 78 B19R3.19245 c1cc2[nH]cnc2c(n1)SCC3CCCCC3 62a_100000211423_100009820035 [1,0,0,0,0,0|0,1,0]=2 79 B19R3.19245 c1cc2[nH]cnc2c(n1)SCC3CCCCO3 62a_100000211543_100009820035 [1,0,0,0,0,0|1,1,0]=3 80 B19R3.19245 c1cc2[nH]cnc2c(n1)SCC3CCCOC3 62a_100000741521_100009820035 [1,0,0,0,0,0|1,1,0]=3 81 B19R3.19245 c1cc2[nH]cnc2c(n1)SCC3CCOCC3 62a_100000754603_100009820035 [1,0,0,0,0,0|1,1,0]=3 82 B19R3.19245 c1cc2c(c(c1)OCC3CCCCC3)CCN2 34a_100000703684_100000211423 [1,0,0,0,0,0|2,0,1]=4 83 B19R3.19245 c1cc2c(c(n1)SCC3CCCCC3)CCN2 62a_100000104060_100000211423 [1,0,0,0,0,0|1,1,1]=4 84 B19R3.19245 c1cc2c(c(n1)SCC3CCCCC3)CCN2 62a_100000211423_100000104060 [1,0,0,0,0,0|1,1,1]=4 85 B19R3.19245 c1cc2cc[nH]c2c(n1)SCC3CCCCC3 62a_100000211423_100000060748 [1,0,0,0,0,0|1,1,1]=4 86 B19R3.19245 c1cc2ccsc2c(n1)NCC3CCCCC3 27a_100000210473_100000117209 [1,0,0,0,0,0|3,0,0]=4 87 B19R3.19245 c1cc2ccsc2c(n1)SCC3CCCCC3 62a_100000211423_100000117209 [1,0,0,0,0,0|2,1,0]=4 88 B19R3.19245 c1cc2occc2c(n1)NCC3CCCCC3 27a_100000210473_100000041166 [1,0,0,0,0,0|3,0,0]=4 89 B19R3.19245 c1cc2occc2c(n1)SCC3CCCCC3 62a_100000211423_100000041166 [1,0,0,0,0,0|2,1,0]=4 90 B19R3.19245 c1cc2sccc2c(n1)NCC3CCCCC3 27a_100000210473_100000047778 [1,0,0,0,0,0|3,0,0]=4 91 B19R3.19245 c1cc2sccc2c(n1)SCC3CCCCC3 62a_100000211423_100000047778 [1,0,0,0,0,0|2,1,0]=4 92 B19R3.19245 c1cn2ccnc2c(n1)NCC3CCCCC3 27a_100000210473_102495338505 [1,0,0,0,0,0|3,0,0]=4 93 B19R3.19245 c1cn2ccnc2c(n1)SCC3CCCCC3 62a_100000211423_102495338505 [1,0,0,0,0,0|2,1,0]=4 94 B19R3.19245 c1cn2ncnc2c(n1)NCC3CCCCC3 27a_100000210473_100000094309 [1,0,0,0,0,0|2,0,1]=4 95 B19R3.19245 c1cn2ncnc2c(n1)SCC3CCCCC3 62a_100000211423_100000094309 [1,0,0,0,0,0|1,1,1]=4 96 B19R3.19245 c1nc(c2ncsc2n1)NCC3CCCCC3 27a_100000210473_100009860286 [1,0,0,0,0,0|3,0,0]=4 97 B19R3.19245 c1nc(c2ncsc2n1)SCC3CCCCC3 62a_100000211423_100009860286 [1,0,0,0,0,0|2,1,0]=4 98 B21R3.19177 C[C@@H](Nc1nc(nc2c1nc[nH]2)F)C3CCCCC3 27a_100025707633_100000061921 [0,1,0,0,0,0|3,0,0]=4 99 B21R3.19185 CN(CC1CCCCC1)c2nc(nc3c2nc[nH]3)F 27a_100000736448_100000061921 [0,1,0,0,0,0|3,0,0]=4 100 B21R3.19185 O=C(CC1CCCCC1)c2cc(cc3c2nc[nH]3)Br 1458a_100000702109_100000211423 [0,1,0,0,0,0|3,0,0]=4 101 B21R3.19185 O=C(CC1CCCCC1)c2cc(cc3c2nc[nH]3)Cl 1458a_100000066884_100000211423 [0,1,0,0,0,0|3,0,0]=4 102 B21R3.35436 COc1cc(c2nc[nH]c2c1)SCC3CCCCC3 62a_100000211423_100102526192 [0,1,0,0,0,0|2,1,0]=4 103 B21R3.35436 N#Cc1cc(c2nc[nH]c2c1)SCC3CCCCC3 62a_100000211423_100010718406 [0,1,0,0,0,0|1,1,1]=4 104 B21R3.234364 Cc1cc2c(ncn2C)c(n1)C=CC3CCCCC3 271570a_100016283615_100000091626 [0,1,0,0,0,0|2,0,1]=4 105 B21R3.234364 Cc1cc2c(ncn2C)c(n1)NCC3CCCCC3 27a_100000210473_100000091626 [0,1,0,0,0,0|2,0,0]=3 106 B21R3.234364 Cc1cc2c(ncn2C)c(n1)NCC3CCCCO3 27a_100000174945_100000091626 [0,1,0,0,0,0|3,0,0]=4 107 B21R3.234364 Cc1cc2c(ncn2C)c(n1)NCC3CCCOC3 27a_100000720124_100000091626 [0,1,0,0,0,0|3,0,0]=4 108 B21R3.234364 Cc1cc2c(ncn2C)c(n1)NCC3CCOCC3 27a_100000746373_100000091626 [0,1,0,0,0,0|3,0,0]=4 109 B21R3.234364 Cc1cc2c(ncn2C)c(n1)NCC3CCSCC3 27a_100015188806_100000091626 [0,1,0,0,0,0|3,0,0]=4 110 B21R3.234364 Cc1cc2c(ncn2C)c(n1)SCC3CCCCC3 62a_100000211423_100000091626 [0,1,0,0,0,0|1,1,0]=3 111 B21R3.234364 Cc1cc2c(ncn2C)c(n1)SCC3CCCCO3 62a_100000211543_100000091626 [0,1,0,0,0,0|2,1,0]=4 112 B21R3.234364 Cc1cc2c(ncn2C)c(n1)SCC3CCCOC3 62a_100000741521_100000091626 [0,1,0,0,0,0|2,1,0]=4 113 B21R3.234364 Cc1cc2c(ncn2C)c(n1)SCC3CCOCC3 62a_100000754603_100000091626 [0,1,0,0,0,0|2,1,0]=4 114 B21R3.234364 Cn1cnc2c1nc(nc2C=CC3CCCCC3)N 271570a_100016283615_100000708713 [0,1,0,0,0,0|2,0,1]=4 115 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCCCC3)N 27a_100000210473_100000708713 [0,1,0,0,0,0|2,0,0]=3 116 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCCCO3)N 27a_100000174945_100000708713 [0,1,0,0,0,0|3,0,0]=4 117 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCCOC3)N 27a_100000720124_100000708713 [0,1,0,0,0,0|3,0,0]=4 118 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCOCC3)N 27a_100000746373_100000708713 [0,1,0,0,0,0|3,0,0]=4 119 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCSCC3)N 27a_100015188806_100000708713 [0,1,0,0,0,0|3,0,0]=4 120 B21R3.234364 Cn1cnc2c1nc(nc2SCC3CCCCC3)N 62a_100000211423_100000708713 [0,1,0,0,0,0|1,1,0]=3 121 B21R3.234364 Cn1cnc2c1nc(nc2SCC3CCCCO3)N 62a_100000211543_100000708713 [0,1,0,0,0,0|2,1,0]=4 122 B21R3.234364 Cn1cnc2c1nc(nc2SCC3CCCOC3)N 62a_100000741521_100000708713 [0,1,0,0,0,0|2,1,0]=4 123 B21R3.234364 Cn1cnc2c1nc(nc2SCC3CCOCC3)N 62a_100000754603_100000708713 [0,1,0,0,0,0|2,1,0]=4 124 B21R3.3821304 OC1CCCC(C1)CNc2nc(nc3c2nc[nH]3)F 27a_100011254705_100000061921 [0,1,0,0,0,0|3,0,0]=4 125 B21R3.3966006 OC1CCCCC1CNc2nc(nc3c2nc[nH]3)F 27a_100011216029_100000061921 [0,1,0,0,0,0|3,0,0]=4 126 B21R3.6822635 CC1(CCCCC1)CNc2nc(nc3c2nc[nH]3)F 27a_100000706052_100000061921 [0,1,0,0,0,0|3,0,0]=4 127 B21R3.6822635 OC1(CCCCC1)CNc2nc(nc3c2nc[nH]3)F 27a_100000748649_100000061921 [0,1,0,0,0,0|3,0,0]=4 128 B21R3.9454399 CC1CCC(CC1)CNc2nc(nc3c2nc[nH]3)F 27a_103436935547_100000061921 [0,1,0,0,0,0|3,0,0]=4 129 B19R2.37531 N#Cc1c(cc(nc1NCC2CCCCC2)N)N 27a_100000210473_100010172500 [0,0,1,0,0,0|3,0,0]=4 130 B19R2.37531 N#Cc1c(cc(nc1SCC2CCCCC2)N)N 62a_100000211423_100010172500 [0,0,1,0,0,0|2,1,0]=4 131 B19R2.37531 N#Cc1c(cc(nc1SCC2CCCCC2)N)N 62a_100010172500_100000211423 [0,0,1,0,0,0|2,1,0]=4 132 B19R2.197864 CCCCCCC=Cc1nc(nc2c1nc[nH]2)N 271570a_200015348155_200000049598 [0,0,1,0,0,0|2,0,1]=4 133 B19R2.197864 CCCCCCCNc1nc(nc2c1nc[nH]2)F 27a_100000229938_100000061921 [0,0,1,0,0,0|3,0,0]=4 134 B19R2.197864 CCCCCCCSc1cc(cc2c1cc[nH]2)N 62a_100000210614_100010006569 [0,0,1,0,0,0|2,1,0]=4 135 B19R2.197864 CCCCCCCSc1cc(cc2c1nc[nH]2)F 62a_100000210614_100010192642 [0,0,1,0,0,0|2,1,0]=4 136 B19R2.197864 CCCCCCCSc1cc(cc2c1nc[nH]2)F 62a_100010192642_100000210316 [0,0,1,0,0,0|2,1,0]=4 137 B19R2.197864 CCCCCCCSc1nc(cc2c1cc[nH]2)C 62a_100000210614_100009880406 [0,0,1,0,0,0|2,1,0]=4 138 B19R2.197864 CCCCCCCSc1nc(nc2c1nc[nH]2)F 62a_100000210614_100000061921 [0,0,1,0,0,0|2,1,0]=4 139 B21R4.478349 Fc1nc(c2nc[nH]c2n1)N3CC4CCC3CC4 27a_100000750499_100000061921 [0,0,0,1,0,0|3,0,0]=4 140 B21R4.478383 Cc1cc2[nH]ccc2c(n1)SC3C4CCC3CC4 62a_100009813300_100009880406 [0,0,0,1,0,0|2,1,0]=4 141 B21R4.478383 Fc1cc(c2nc[nH]c2c1)SC3C4CCC3CC4 62a_100009813300_100010192642 [0,0,0,1,0,0|2,1,0]=4 142 B21R4.478383 Fc1cc(c2nc[nH]c2c1)SC3C4CCC3CC4 62a_100010192642_100009813300 [0,0,0,1,0,0|2,1,0]=4 143 B21R4.478383 Fc1nc(c2nc[nH]c2n1)SC3C4CCC3CC4 62a_100009813300_100000061921 [0,0,0,1,0,0|2,1,0]=4 144 B21R4.478383 Nc1cc(c2cc[nH]c2c1)SC3C4CCC3CC4 62a_100009813300_100010006569 [0,0,0,1,0,0|2,1,0]=4 145 B19R3.284 Cc1cc2[nH]ccc2c(n1)SC3CCCCC3 62a_100000210327_100009880406 [0,0,0,0,1,0|2,1,0]=4 146 B19R3.284 Fc1cc(c2nc[nH]c2c1)SC3CCCCC3 62a_100000210327_100010192642 [0,0,0,0,1,0|2,1,0]=4 147 B19R3.284 Fc1cc(c2nc[nH]c2c1)SC3CCCCC3 62a_100010192642_100000210327 [0,0,0,0,1,0|2,1,0]=4 148 B19R3.284 Fc1nc(c2nc[nH]c2n1)NC3CCCCC3 27a_100000182618_100000061921 [0,0,0,0,1,0|3,0,0]=4 149 B19R3.284 Fc1nc(c2nc[nH]c2n1)SC3CCCCC3 62a_100000210327_100000061921 [0,0,0,0,1,0|2,1,0]=4 150 B19R3.284 Nc1cc(c2cc[nH]c2c1)SC3CCCCC3 62a_100000210327_100010006569 [0,0,0,0,1,0|2,1,0]=4 151 B19R3.8617 Cc1cc2[nH]ccc2c(n1)SCC3CCCC3 62a_100000740388_100009880406 [0,0,0,0,1,0|2,1,0]=4 152 B19R3.8617 Fc1cc(c2nc[nH]c2c1)SCC3CCCC3 62a_100000740388_100010192642 [0,0,0,0,1,0|2,1,0]=4 153 B19R3.8617 Fc1cc(c2nc[nH]c2c1)SCC3CCCC3 62a_100010192642_100000740388 [0,0,0,0,1,0|2,1,0]=4 154 B19R3.8617 Fc1nc(c2nc[nH]c2n1)NCC3CCCC3 27a_100000737975_100000061921 [0,0,0,0,1,0|3,0,0]=4 155 B19R3.8617 Fc1nc(c2nc[nH]c2n1)SCC3CCCC3 62a_100000740388_100000061921 [0,0,0,0,1,0|2,1,0]=4 156 B19R3.8617 Nc1cc(c2cc[nH]c2c1)SCC3CCCC3 62a_100000740388_100010006569 [0,0,0,0,1,0|2,1,0]=4 157 B21R3.19179 Cc1cc2[nH]ccc2c(n1)SCCC3CCCCC3 62a_100012355289_100009880406 [0,0,0,0,0,1|2,1,0]=4 158 B21R3.19179 Cc1cc2[nH]ccc2c(n1)SCOC3CCCCC3 62a_100011935260_100009880406 [0,0,0,0,0,1|2,1,0]=4 159 B21R3.19179 Fc1cc(c2nc[nH]c2c1)SCCC3CCCCC3 62a_100010192642_100012355289 [0,0,0,0,0,1|2,1,0]=4 160 B21R3.19179 Fc1cc(c2nc[nH]c2c1)SCCC3CCCCC3 62a_100012355289_100010192642 [0,0,0,0,0,1|2,1,0]=4 161 B21R3.19179 Fc1cc(c2nc[nH]c2c1)SCOC3CCCCC3 62a_100010192642_100011935260 [0,0,0,0,0,1|2,1,0]=4 162 B21R3.19179 Fc1cc(c2nc[nH]c2c1)SCOC3CCCCC3 62a_100011935260_100010192642 [0,0,0,0,0,1|2,1,0]=4 163 B21R3.19179 Fc1nc(c2nc[nH]c2n1)NCCC3CCCCC3 27a_100000738074_100000061921 [0,0,0,0,0,1|3,0,0]=4 164 B21R3.19179 Fc1nc(c2nc[nH]c2n1)SCCC3CCCCC3 62a_100012355289_100000061921 [0,0,0,0,0,1|2,1,0]=4 165 B21R3.19179 Fc1nc(c2nc[nH]c2n1)SCOC3CCCCC3 62a_100011935260_100000061921 [0,0,0,0,0,1|2,1,0]=4 166 B21R3.19179 Nc1cc(c2cc[nH]c2c1)SCCC3CCCCC3 62a_100012355289_100010006569 [0,0,0,0,0,1|2,1,0]=4 167 B21R3.19179 Nc1cc(c2cc[nH]c2c1)SCOC3CCCCC3 62a_100011935260_100010006569 [0,0,0,0,0,1|2,1,0]=4 168 B21R3.19514 Brc1cc(c2ncccc2c1)OCC3CCCCC3 34a_100010248853_100000211423 [0,0,0,0,0,1|3,0,0]=4 169 B21R3.19514 Brc1cc(c2ncccc2c1)OCC3CCCCC3 7a_100010248853_100000211423 [0,0,0,0,0,1|3,0,0]=4 170 B21R3.19514 Cc1cc(c2ncccc2c1)OCC3CCCCC3 34a_100009888445_100000211423 [0,0,0,0,0,1|3,0,0]=4 171 B21R3.19514 Cc1cc(c2ncccc2c1)OCC3CCCCC3 7a_100009888445_100000211423 [0,0,0,0,0,1|3,0,0]=4 172 B21R3.19514 Clc1cc(c2ncccc2c1)OCC3CCCCC3 34a_200000089624_100000211423 [0,0,0,0,0,1|3,0,0]=4 173 B21R3.19514 Clc1cc(c2ncccc2c1)OCC3CCCCC3 7a_200000089624_100000211423 [0,0,0,0,0,1|3,0,0]=4 174 B21R3.19514 Nc1cc2ccccc2c(n1)SCC3CCCCC3 62a_100000211423_100009814382 [0,0,0,0,0,1|2,1,0]=4 175 B21R3.19514 Nc1cc2ccccc2c(n1)SCC3CCCCC3 62a_100009814382_100000211423 [0,0,0,0,0,1|2,1,0]=4 176 B21R3.19514 Nc1cc2cccnc2c(n1)C=CC3CCCCC3 271570a_100016283615_100010205410 [0,0,0,0,0,1|2,0,1]=4 177 B21R3.19514 Nc1cc2cccnc2c(n1)NCC3CCCCC3 27a_100000210473_100010205410 [0,0,0,0,0,1|2,0,0]=3 178 B21R3.19514 Nc1cc2cccnc2c(n1)NCC3CCCCO3 27a_100000174945_100010205410 [0,0,0,0,0,1|3,0,0]=4 179 B21R3.19514 Nc1cc2cccnc2c(n1)NCC3CCCOC3 27a_100000720124_100010205410 [0,0,0,0,0,1|3,0,0]=4 180 B21R3.19514 Nc1cc2cccnc2c(n1)NCC3CCOCC3 27a_100000746373_100010205410 [0,0,0,0,0,1|3,0,0]=4 181 B21R3.19514 Nc1cc2cccnc2c(n1)NCC3CCSCC3 27a_100015188806_100010205410 [0,0,0,0,0,1|3,0,0]=4 182 B21R3.19514 Nc1cc2cccnc2c(n1)SCC3CCCCC3 62a_100000211423_100010205410 [0,0,0,0,0,1|1,1,0]=3 183 B21R3.19514 Nc1cc2cccnc2c(n1)SCC3CCCCC3 62a_100010205410_100000211423 [0,0,0,0,0,1|1,1,0]=3 184 B21R3.19514 Nc1cc2cccnc2c(n1)SCC3CCCCO3 62a_100000211543_100010205410 [0,0,0,0,0,1|2,1,0]=4 185 B21R3.19514 Nc1cc2cccnc2c(n1)SCC3CCCCO3 62a_100010205410_100000211543 [0,0,0,0,0,1|2,1,0]=4 186 B21R3.19514 Nc1cc2cccnc2c(n1)SCC3CCCOC3 62a_100000741521_100010205410 [0,0,0,0,0,1|2,1,0]=4 187 B21R3.19514 Nc1cc2cccnc2c(n1)SCC3CCCOC3 62a_100010205410_100000741521 [0,0,0,0,0,1|2,1,0]=4 188 B21R3.19514 Nc1cc2cccnc2c(n1)SCC3CCOCC3 62a_100000754603_100010205410 [0,0,0,0,0,1|2,1,0]=4 189 B21R3.19514 Nc1cc2cccnc2c(n1)SCC3CCOCC3 62a_100010205410_100000749018 [0,0,0,0,0,1|2,1,0]=4 190 B21R3.19514 Nc1cc2cnccc2c(n1)SCC3CCCCC3 62a_100000211423_100000690061 [0,0,0,0,0,1|1,1,1]=4 191 B21R3.19514 Nc1cc2cnccc2c(n1)SCC3CCCCC3 62a_100000690061_100000211423 [0,0,0,0,0,1|1,1,1]=4 192 B21R3.409096 Cc1cc2[nH]ccc2c(n1)SCC3CCCCCC3 62a_200000696569_100009880406 [0,0,0,0,0,1|2,1,0]=4 193 B21R3.409096 Fc1cc(c2nc[nH]c2c1)SCC3CCCCCC3 62a_100010192642_200000696569 [0,0,0,0,0,1|2,1,0]=4 194 B21R3.409096 Fc1cc(c2nc[nH]c2c1)SCC3CCCCCC3 62a_200000696569_100010192642 [0,0,0,0,0,1|2,1,0]=4 195 B21R3.409096 Fc1nc(c2nc[nH]c2n1)NCC3CCCCCC3 27a_100015204231_100000061921 [0,0,0,0,0,1|3,0,0]=4 196 B21R3.409096 Fc1nc(c2nc[nH]c2n1)SCC3CCCCCC3 62a_200000696569_100000061921 [0,0,0,0,0,1|2,1,0]=4 197 B21R3.409096 Nc1cc(c2cc[nH]c2c1)SCC3CCCCCC3 62a_200000696569_100010006569 [0,0,0,0,0,1|2,1,0]=4 198 B18R2.73847 CCCCCCC=Cc1nccc2c1nc[nH]2 271570a_200015348155_100009820035 [1,0,1,0,0,0|1,0,1]=4 199 B18R2.73847 CCCCCCCOc1cccc2c1cc[nH]2 34a_100000763377_100000210614 [1,0,1,0,0,0|2,0,0]=4 200 B18R2.73847 CCCCCCCOc1cccc2c1ncs2 34a_100000101385_100000210614 [1,0,1,0,0,0|2,0,0]=4 201 B18R2.73847 CCCCCCCOc1cccc2c1ncs2 7a_100000101385_100000210614 [1,0,1,0,0,0|2,0,0]=4 202 B18R2.73847 CCCCCCCSc1cccc2c1nc[nH]2 62a_100000210614_100011935113 [1,0,1,0,0,0|1,1,0]=4 203 B18R2.73847 CCCCCCCSc1nccc2c1cc[nH]2 62a_100000210614_100000086534 [1,0,1,0,0,0|1,1,0]=4 204 B18R2.73847 CCCCCCCSc1nccc2c1nc[nH]2 62a_100000210614_100009820035 [1,0,1,0,0,0|0,1,0]=3 205 B18R2.73847 CCCCOCCSc1nccc2c1nc[nH]2 62a_100000743108_100009820035 [1,0,1,0,0,0|1,1,0]=4 206 B18R2.73847 FCCCCCCSc1nccc2c1nc[nH]2 62a_100015922095_100009820035 [1,0,1,0,0,0|1,1,0]=4 207 B18R2.73847 OCCCCCCSc1nccc2c1nc[nH]2 62a_100000766143_100009820035 [1,0,1,0,0,0|1,1,0]=4 208 B20R2.89331 CCCCCCCC=Cc1nc(nc2c1nc[nH]2)N 271570a_100134823654_200000049598 [0,1,1,0,0,0|2,0,0]=4 209 B20R2.1981365 CCCCCCCNc1nc(cc2c1ncn2C)C 27a_100000229938_100000091626 [0,1,1,0,0,0|2,0,0]=4 210 B20R2.1981365 CCCCCCCNc1nc(nc2c1ncn2C)N 27a_100000229938_100000708713 [0,1,1,0,0,0|2,0,0]=4 211 B20R2.1981365 CCCCCCCSc1nc(cc2c1ncn2C)C 62a_100000210614_100000091626 [0,1,1,0,0,0|1,1,0]=4 212 B20R2.1981365 CCCCCCCSc1nc(nc2c1ncn2C)N 62a_100000210614_100000708713 [0,1,1,0,0,0|1,1,0]=4 213 B20R3.17 Cn1ccc2c1cccc2OCC3CCCCC3 34a_100000094269_100000211423 [1,1,0,0,0,0|2,0,0]=4 214 B20R3.17 Cn1ccc2c1ccnc2NCC3CCCCC3 27a_100000210473_100000048735 [1,1,0,0,0,0|2,0,0]=4 215 B20R3.17 Cn1ccc2c1ccnc2SCC3CCCCC3 62a_100000211423_100000048735 [1,1,0,0,0,0|1,1,0]=4 216 B20R3.17 Cn1cnc2c1cccc2SCC3CCCCC3 62a_100000211423_100000696766 [1,1,0,0,0,0|1,1,0]=4 217 B20R3.17 Cn1cnc2c1ccnc2C=CC3CCCCC3 271570a_100016283615_100000075535 [1,1,0,0,0,0|1,0,1]=4 218 B20R3.17 Cn1cnc2c1ccnc2NCC3CCCCC3 27a_100000210473_100000075535 [1,1,0,0,0,0|1,0,0]=3 219 B20R3.17 Cn1cnc2c1ccnc2NCC3CCCCO3 27a_100000174945_100000075535 [1,1,0,0,0,0|2,0,0]=4 220 B20R3.17 Cn1cnc2c1ccnc2NCC3CCCOC3 27a_100000720124_100000075535 [1,1,0,0,0,0|2,0,0]=4 221 B20R3.17 Cn1cnc2c1ccnc2NCC3CCOCC3 27a_100000746373_100000075535 [1,1,0,0,0,0|2,0,0]=4 222 B20R3.17 Cn1cnc2c1ccnc2NCC3CCSCC3 27a_100015188806_100000075535 [1,1,0,0,0,0|2,0,0]=4 223 B20R3.17 Cn1cnc2c1ccnc2SCC3CCCCC3 62a_100000211423_100000075535 [1,1,0,0,0,0|0,1,0]=3 224 B20R3.17 Cn1cnc2c1ccnc2SCC3CCCCO3 62a_100000211543_100000075535 [1,1,0,0,0,0|1,1,0]=4 225 B20R3.17 Cn1cnc2c1ccnc2SCC3CCCOC3 62a_100000741521_100000075535 [1,1,0,0,0,0|1,1,0]=4 226 B20R3.17 Cn1cnc2c1ccnc2SCC3CCOCC3 62a_100000754603_100000075535 [1,1,0,0,0,0|1,1,0]=4 227 B20R3.17 Cn1cnc2c1ncnc2NCC3CCCCC3 27a_100000210473_100000058137 [1,1,0,0,0,0|2,0,0]=4 228 B20R3.17 Cn1cnc2c1ncnc2SCC3CCCCC3 62a_100000211423_100000058137 [1,1,0,0,0,0|1,1,0]=4 229 B20R3.8435 Fc1ccc2[nH]cnc2c1SCC3CCCCC3 62a_100000211423_200010369618 [1,1,0,0,0,0|1,1,0]=4 230 B20R3.8435 Nc1ccc2[nH]cnc2c1SCC3CCCCC3 62a_100000211423_100009816657 [1,1,0,0,0,0|1,1,0]=4 231 B20R3.13423 CN1CCCCC1CSc2nccc3c2nc[nH]3 62a_100015185383_100009820035 [1,1,0,0,0,0|1,1,0]=4 232 B20R3.14321 Cc1cc2c(cccc2[nH]1)OCC3CCCCC3 34a_200000059750_100000211423 [1,1,0,0,0,0|2,0,0]=4 233 B20R3.14321 Cc1nc2c(cccc2[nH]1)SCC3CCCCC3 62a_100000211423_100012360556 [1,1,0,0,0,0|1,1,0]=4 234 B20R3.14321 Nc1nc2c(cccc2o1)OCC3CCCCC3 7a_100009892541_100000211423 [1,1,0,0,0,0|2,0,0]=4 235 B20R3.14321 Nc1nc2c(cccc2s1)OCC3CCCCC3 7a_100000065795_100000211423 [1,1,0,0,0,0|2,0,0]=4 236 B20R3.19885 CN1CCC(CC1)CSc2nccc3c2nc[nH]3 62a_100015183002_100009820035 [1,1,0,0,0,0|1,1,0]=4 237 B20R3.91480 CN1CCCC(C1)CSc2nccc3c2nc[nH]3 62a_100000752043_100009820035 [1,1,0,0,0,0|1,1,0]=4 238 B20R3.275194 Cc1ccc(c2c1[nH]cc2)OCC3CCCCC3 34a_100000132354_100000211423 [1,1,0,0,0,0|2,0,0]=4 239 B20R3.275194 Cc1cnc(c2c1[nH]cc2)SCC3CCCCC3 62a_100000211423_100010244391 [1,1,0,0,0,0|1,1,0]=4 240 B20R3.275194 Fc1cnc(c2c1[nH]cn2)C=CC3CCCCC3 271570a_100016283615_100009853726 [1,1,0,0,0,0|1,0,1]=4 241 B20R3.275194 Fc1cnc(c2c1[nH]cn2)SCC3CCCCC3 62a_100000211423_100009853726 [1,1,0,0,0,0|0,1,0]=3 242 B20R3.275194 Fc1cnc(c2c1[nH]cn2)SCC3CCCCO3 62a_100000211543_100009853726 [1,1,0,0,0,0|1,1,0]=4 243 B20R3.275194 Fc1cnc(c2c1[nH]cn2)SCC3CCCOC3 62a_100000741521_100009853726 [1,1,0,0,0,0|1,1,0]=4 244 B20R3.275194 Fc1cnc(c2c1[nH]cn2)SCC3CCOCC3 62a_100000754603_100009853726 [1,1,0,0,0,0|1,1,0]=4 245 B20R3.331218 O=C(CC1CCCCC1)c2cccc3c2nc[nH]3 1458a_100000691283_100000211423 [1,1,0,0,0,0|2,0,0]=4 246 B20R3.141796 Cc1cc2c(ncn2C)c(n1)NC3CCCCC3 27a_100000182618_100000091626 [0,1,0,0,1,0|2,0,0]=4 247 B20R3.141796 Cc1cc2c(ncn2C)c(n1)SC3CCCCC3 62a_100000210327_100000091626 [0,1,0,0,1,0|1,1,0]=4 248 B20R3.141796 Cn1cnc2c1nc(nc2NC3CCCCC3)N 27a_100000182618_100000708713 [0,1,0,0,1,0|2,0,0]=4 249 B20R3.141796 Cn1cnc2c1nc(nc2SC3CCCCC3)N 62a_100000210327_100000708713 [0,1,0,0,1,0|1,1,0]=4 250 B20R3.3280069 Cc1cc2c(ncn2C)c(n1)NCC3CCCC3 27a_100000737975_100000091626 [0,1,0,0,1,0|2,0,0]=4 251 B20R3.3280069 Cc1cc2c(ncn2C)c(n1)SCC3CCCC3 62a_100000740388_100000091626 [0,1,0,0,1,0|1,1,0]=4 252 B20R3.3280069 Cn1cnc2c1nc(nc2NCC3CCCC3)N 27a_100000737975_100000708713 [0,1,0,0,1,0|2,0,0]=4 253 B20R3.3280069 Cn1cnc2c1nc(nc2SCC3CCCC3)N 62a_100000740388_100000708713 [0,1,0,0,1,0|1,1,0]=4 254 B20R3.281911 Nc1nc(nc2c1nc[nH]2)NCC3CCCCC3 27a_100000210473_100102524922 [0,0,1,1,0,0|2,0,0]=4 255 B20R4.1724787 c1cc(c2cc[nH]c2c1)OC3C4CCC3CC4 34a_100000763377_100009813300 [1,0,0,1,0,0|2,0,0]=4 256 B20R4.1724787 c1cc(c2nc[nH]c2c1)SC3C4CCC3CC4 62a_100009813300_100011935113 [1,0,0,1,0,0|1,1,0]=4 257 B20R4.1724787 c1cc(c2ncsc2c1)OC3C4CCC3CC4 34a_100000101385_100009813300 [1,0,0,1,0,0|2,0,0]=4 258 B20R4.1724787 c1cc2[nH]ccc2c(n1)SC3C4CCC3CC4 62a_100009813300_100000086534 [1,0,0,1,0,0|1,1,0]=4 259 B20R4.1724787 c1cc2[nH]cnc2c(n1)SC3C4CCC3CC4 62a_100009813300_100009820035 [1,0,0,1,0,0|0,1,0]=3 260 B22R4.603105 Nc1cc2cccnc2c(n1)N3CC4CCC3CC4 27a_100000750499_100010205410 [0,0,0,1,0,1|2,0,0]=4 261 B22R4.603139 Nc1cc2cccnc2c(n1)SC3C4CCC3CC4 62a_100009813300_100010205410 [0,0,0,1,0,1|1,1,0]=4 262 B22R4.603139 Nc1cc2cccnc2c(n1)SC3C4CCC3CC4 62a_100010205410_100009813300 [0,0,0,1,0,1|1,1,0]=4 263 B22R4.59456276 Cc1cc2c(ncn2C)c(n1)N3CC4CCC3CC4 27a_100000750499_100000091626 [0,1,0,1,0,0|2,0,0]=4 264 B22R4.59456276 Cn1cnc2c1nc(nc2N3CC4CCC3CC4)N 27a_100000750499_100000708713 [0,1,0,1,0,0|2,0,0]=4 265 B22R4.59456498 Cc1cc2c(ncn2C)c(n1)SC3C4CCC3CC4 62a_100009813300_100000091626 [0,1,0,1,0,0|1,1,0]=4 266 B22R4.59456498 Cn1cnc2c1nc(nc2SC3C4CCC3CC4)N 62a_100009813300_100000708713 [0,1,0,1,0,0|1,1,0]=4 267 B18R3.2115 c1cc(c2cc[nH]c2c1)OC3CCCCC3 34a_100000763377_100000210327 [1,0,0,0,1,0|2,0,0]=4 268 B18R3.2115 c1cc(c2nc[nH]c2c1)SC3CCCCC3 62a_100000210327_100011935113 [1,0,0,0,1,0|1,1,0]=4 269 B18R3.2115 c1cc(c2ncsc2c1)OC3CCCCC3 34a_100000101385_100000210327 [1,0,0,0,1,0|2,0,0]=4 270 B18R3.2115 c1cc(c2ncsc2c1)OC3CCCCC3 7a_100000101385_100000210327 [1,0,0,0,1,0|2,0,0]=4 271 B18R3.2115 c1cc2[nH]ccc2c(n1)SC3CCCCC3 62a_100000210327_100000086534 [1,0,0,0,1,0|1,1,0]=4 272 B18R3.2115 c1cc2[nH]cnc2c(n1)SC3CCCCC3 62a_100000210327_100009820035 [1,0,0,0,1,0|0,1,0]=3 273 B18R3.12721 c1cc(c2cc[nH]c2c1)OCC3CCCC3 34a_100000763377_100000740388 [1,0,0,0,1,0|2,0,0]=4 274 B18R3.12721 c1cc(c2nc[nH]c2c1)SCC3CCCC3 62a_100000740388_100011935113 [1,0,0,0,1,0|1,1,0]=4 275 B18R3.12721 c1cc(c2ncsc2c1)OCC3CCCC3 34a_100000101385_100000740388 [1,0,0,0,1,0|2,0,0]=4 276 B18R3.12721 c1cc(c2ncsc2c1)OCC3CCCC3 7a_100000101385_100000740388 [1,0,0,0,1,0|2,0,0]=4 277 B18R3.12721 c1cc2[nH]ccc2c(n1)SCC3CCCC3 62a_100000740388_100000086534 [1,0,0,0,1,0|1,1,0]=4 278 B18R3.12721 c1cc2[nH]cnc2c(n1)SCC3CCCC3 62a_100000740388_100009820035 [1,0,0,0,1,0|0,1,0]=3 279 B18R3.12721 c1cc2[nH]cnc2c(n1)SCC3CCCO3 62a_100000203698_100009820035 [1,0,0,0,1,0|1,1,0]=4 280 B18R3.12721 c1cc2[nH]cnc2c(n1)SCC3CCOC3 62a_100000702531_100009820035 [1,0,0,0,1,0|1,1,0]=4 281 B20R2.313371 CCCCCCCNc1nc(cc2c1nccc2)N 27a_100000229938_100010205410 [0,0,1,0,0,1|2,0,0]=4 282 B20R2.313371 CCCCCCCSc1nc(cc2c1nccc2)N 62a_100000210614_100010205410 [0,0,1,0,0,1|1,1,0]=4 283 B20R2.313371 CCCCCCCSc1nc(cc2c1nccc2)N 62a_100010205410_100000210316 [0,0,1,0,0,1|1,1,0]=4 284 B20R3.2720 c1cc(c2cnccc2c1)OCC3CCCCC3 34a_103624766955_100000211423 [1,0,0,0,0,1|2,0,0]=4 285 B20R3.2720 c1cc(c2nccnc2c1)OCC3CCCCC3 34a_100000077048_100000211423 [1,0,0,0,0,1|1,0,1]=4 286 B20R3.2720 c1cc(c2ncncc2c1)OCC3CCCCC3 34a_200000077003_100000211423 [1,0,0,0,0,1|1,0,1]=4 287 B20R3.2720 c1cc2ccnc(c2cn1)NCC3CCCCC3 27a_100000210473_100000116921 [1,0,0,0,0,1|2,0,0]=4 288 B20R3.2720 c1cc2ccnc(c2cn1)SCC3CCCCC3 62a_100000211423_100000116921 [1,0,0,0,0,1|1,1,0]=4 289 B20R3.2720 c1cc2ccnc(c2cn1)SCC3CCCCC3 62a_200010063730_100000211423 [1,0,0,0,0,1|1,1,0]=4 290 B20R3.2720 c1cc2nccnc2c(n1)NCC3CCCCC3 27a_100000210473_100010063732 [1,0,0,0,0,1|1,0,1]=4 291 B20R3.2720 c1cc2nccnc2c(n1)SCC3CCCCC3 62a_100000211423_100010063732 [1,0,0,0,0,1|0,1,1]=4 292 B20R3.2720 c1cc2nccnc2c(n1)SCC3CCCCC3 62a_100010063732_100000211423 [1,0,0,0,0,1|0,1,1]=4 293 B20R3.2720 c1ccc2c(nccc2c1)OCC3CCCCC3 34a_102531767632_100000211423 [1,0,0,0,0,1|2,0,0]=4 294 B20R3.2720 c1cnc2c(cccc2c1)OCC3CCCCC3 34a_100000056035_100000211423 [1,0,0,0,0,1|2,0,0]=4 295 B20R3.2720 c1cnc2c(nccc2c1)NCC3CCCCC3 27a_100000210473_100010063729 [1,0,0,0,0,1|2,0,0]=4 296 B20R3.2720 c1cnc2c(nccc2c1)SCC3CCCCC3 62a_100000211423_100010063729 [1,0,0,0,0,1|1,1,0]=4 297 B20R3.30250 c1cc(c2cc[nH]c2c1)OCCC3CCCCC3 34a_100000763377_100011209188 [1,0,0,0,0,1|2,0,0]=4 298 B20R3.30250 c1cc(c2cc[nH]c2c1)OCOC3CCCCC3 34a_100000763377_100011935260 [1,0,0,0,0,1|2,0,0]=4 299 B20R3.30250 c1cc(c2nc[nH]c2c1)SCCC3CCCCC3 62a_100012355289_100011935113 [1,0,0,0,0,1|1,1,0]=4 300 B20R3.30250 c1cc(c2nc[nH]c2c1)SCOC3CCCCC3 62a_100011935260_100011935113 [1,0,0,0,0,1|1,1,0]=4 301 B20R3.30250 c1cc(c2ncsc2c1)COCC3CCCCC3 34a_100000212181_100010883896 [1,0,0,0,0,1|2,0,0]=4 302 B20R3.30250 c1cc(c2ncsc2c1)OCCC3CCCCC3 34a_100000101385_100011209188 [1,0,0,0,0,1|2,0,0]=4 303 B20R3.30250 c1cc(c2ncsc2c1)OCCC3CCCCC3 7a_100000101385_100011273959 [1,0,0,0,0,1|2,0,0]=4 304 B20R3.30250 c1cc(c2ncsc2c1)OCOC3CCCCC3 34a_100000101385_100011935260 [1,0,0,0,0,1|2,0,0]=4 305 B20R3.30250 c1cc(c2ncsc2c1)OCOC3CCCCC3 7a_100000101385_100011935260 [1,0,0,0,0,1|2,0,0]=4 306 B20R3.30250 c1cc2[nH]ccc2c(n1)SCCC3CCCCC3 62a_100012355289_100000086534 [1,0,0,0,0,1|1,1,0]=4 307 B20R3.30250 c1cc2[nH]ccc2c(n1)SCOC3CCCCC3 62a_100011935260_100000086534 [1,0,0,0,0,1|1,1,0]=4 308 B20R3.30250 c1cc2[nH]cnc2c(n1)SCCC3CCCCC3 62a_100012355289_100009820035 [1,0,0,0,0,1|0,1,0]=3 309 B20R3.30250 c1cc2[nH]cnc2c(n1)SCCC3CCOCC3 62a_100011934994_100009820035 [1,0,0,0,0,1|1,1,0]=4 310 B20R3.30250 c1cc2[nH]cnc2c(n1)SCCN3CCCCC3 62a_100000739454_100009820035 [1,0,0,0,0,1|1,1,0]=4 311 B20R3.30250 c1cc2[nH]cnc2c(n1)SCOC3CCCCC3 62a_100011935260_100009820035 [1,0,0,0,0,1|0,1,0]=3 312 B20R3.1869410 c1cc(c2cc[nH]c2c1)OCC3CCCCCC3 34a_100000763377_200000696569 [1,0,0,0,0,1|2,0,0]=4 313 B20R3.1869410 c1cc(c2nc[nH]c2c1)SCC3CCCCCC3 62a_200000696569_100011935113 [1,0,0,0,0,1|1,1,0]=4 314 B20R3.1869410 c1cc(c2ncsc2c1)OCC3CCCCCC3 34a_100000101385_200000696569 [1,0,0,0,0,1|2,0,0]=4 315 B20R3.1869410 c1cc(c2ncsc2c1)OCC3CCCCCC3 7a_100000101385_200000696569 [1,0,0,0,0,1|2,0,0]=4 316 B20R3.1869410 c1cc2[nH]ccc2c(n1)SCC3CCCCCC3 62a_200000696569_100000086534 [1,0,0,0,0,1|1,1,0]=4 317 B20R3.1869410 c1cc2[nH]cnc2c(n1)SCC3CCCCCC3 62a_200000696569_100009820035 [1,0,0,0,0,1|0,1,0]=3 318 B20R3.413 Nc1cc2cccnc2c(n1)NC3CCCCC3 27a_100000182618_100010205410 [0,0,0,0,1,1|2,0,0]=4 319 B20R3.413 Nc1cc2cccnc2c(n1)SC3CCCCC3 62a_100000210327_100010205410 [0,0,0,0,1,1|1,1,0]=4 320 B20R3.413 Nc1cc2cccnc2c(n1)SC3CCCCC3 62a_100010205410_100000210327 [0,0,0,0,1,1|1,1,0]=4 321 B20R3.404 Fc1cc2[nH]cnc2cc1SCC3CCCCC3 62a_100000211423_100012361300 [0,0,0,0,1,1|1,1,0]=4 322 B20R3.404 Fc1cc2[nH]cnc2cc1SCC3CCCCC3 62a_100012361300_100000211423 [0,0,0,0,1,1|1,1,0]=4 323 B20R3.404 Nc1cc2[nH]ccc2cc1SCC3CCCCC3 62a_100000211423_100010212544 [0,0,0,0,1,1|1,1,0]=4 324 B20R3.404 Nc1cc2[nH]ccc2cc1SCC3CCCCC3 62a_100010212544_100000211423 [0,0,0,0,1,1|1,1,0]=4 325 B20R3.404 Nc1cc2[nH]cnc2cc1C=CC3CCCCC3 271570a_100016283615_200010336578 [0,0,0,0,1,1|1,0,1]=4 326 B20R3.404 Nc1cc2[nH]cnc2cc1SCC3CCCCC3 62a_100000211423_200010336578 [0,0,0,0,1,1|0,1,0]=3 327 B20R3.404 Nc1cc2[nH]cnc2cc1SCC3CCCCC3 62a_200010336578_100000211423 [0,0,0,0,1,1|0,1,0]=3 328 B20R3.404 Nc1cc2[nH]cnc2cc1SCC3CCCCO3 62a_100000211543_200010336578 [0,0,0,0,1,1|1,1,0]=4 329 B20R3.404 Nc1cc2[nH]cnc2cc1SCC3CCCCO3 62a_200010336578_100000211543 [0,0,0,0,1,1|1,1,0]=4 330 B20R3.404 Nc1cc2[nH]cnc2cc1SCC3CCCOC3 62a_100000741521_200010336578 [0,0,0,0,1,1|1,1,0]=4 331 B20R3.404 Nc1cc2[nH]cnc2cc1SCC3CCCOC3 62a_200010336578_100000741521 [0,0,0,0,1,1|1,1,0]=4 332 B20R3.404 Nc1cc2[nH]cnc2cc1SCC3CCOCC3 62a_100000754603_200010336578 [0,0,0,0,1,1|1,1,0]=4 333 B20R3.404 Nc1cc2[nH]cnc2cc1SCC3CCOCC3 62a_200010336578_100000749018 [0,0,0,0,1,1|1,1,0]=4 334 B20R3.12887 Nc1cc2cccnc2c(n1)NCC3CCCC3 27a_100000737975_100010205410 [0,0,0,0,1,1|2,0,0]=4 335 B20R3.12887 Nc1cc2cccnc2c(n1)SCC3CCCC3 62a_100000740388_100010205410 [0,0,0,0,1,1|1,1,0]=4 336 B20R3.12887 Nc1cc2cccnc2c(n1)SCC3CCCC3 62a_100010205410_100000740388 [0,0,0,0,1,1|1,1,0]=4