0 B30R4.29254149 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccccc4 620c970d27b706c09f76f9e76e9ebec6 [0,0,0,0,1,0|0,0,1]=2 1 B30R4.29254149 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccccn4 28c5b2652bcd650ab12da55f6e5d3e5e [0,0,0,0,1,0|1,0,1]=3 2 B30R4.29254149 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4cccnc4 ed0a46f35b8c5904124465ebbc074890 [0,0,0,0,1,0|1,0,1]=3 3 B30R4.29254149 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccncc4 9cdf76614e23847a34401a253c5175bf [0,0,0,0,1,0|1,0,1]=3 4 B30R4.29254149 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCSc4ccccc4 0d121a4f7ada9386d51dcdb89c4d59fb [0,0,0,0,1,0|1,0,1]=3 5 B31R4.47290465 C=C(CNc1nc(cs1)c2cc(n(c2C)CC3CCCO3)C)c4ccccc4 0cb4d14676b1fd82328d1b18fece1272 [0,1,0,0,1,0|0,0,2]=4 6 B31R4.47290465 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCC(=O)c4ccccc4 68eccdfb7bd28aaafb7775a1c189875a [0,1,0,0,1,0|0,0,2]=4 7 B31R4.47290465 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCC(C)c4ccccc4 6a54da2fbcc143352b0db0018fd66a7a [0,1,0,0,1,0|0,0,1]=3 8 B31R4.47290465 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCC(F)c4ccccc4 6deedd0f12a44920a94f9fe86736a197 [0,1,0,0,1,0|0,0,1]=3 9 B31R4.47290465 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCC(O)c4ccccc4 85aa771c60c9def092343c8005efaaf6 [0,1,0,0,1,0|0,0,1]=3 10 B31R4.47290465 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCS(=O)c4ccccc4 843a44848d82531ae9f260b61e488826 [0,1,0,0,1,0|1,0,1]=4 11 B31R4.47290465 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NC[C@@H](C)c4ccccc4 5dba413214f63a59e05b523fa8c4c69b [0,1,0,0,1,0|0,0,1]=3 12 B31R4.47290465 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NC[C@@H](O)c4ccccc4 c86852e8ebe473861dc526bc1fa541c4 [0,1,0,0,1,0|0,0,1]=3 13 B31R4.47290465 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NC[C@H](O)c4ccccc4 0e8353f5055cf05d5412610802a6fd53 [0,1,0,0,1,0|0,0,1]=3 14 B31R4.94997491 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccc(cc4)Br f306df3c469435f1f617b2a62c04ca5b [0,1,0,0,1,0|0,0,1]=3 15 B31R4.94997491 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccc(cc4)Cl 9f81cb00f89c27207a159821a8e55375 [0,1,0,0,1,0|0,0,1]=3 16 B31R4.94997491 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccc(cc4)F 1dd7f34a746b3d48fd2132f5551bcb0d [0,1,0,0,1,0|0,0,1]=3 17 B31R4.94997491 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccc(cc4)I befb6812257da90f78282f80eae273dd [0,1,0,0,1,0|0,0,1]=3 18 B31R4.94997491 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccc(nc4)Cl afc53e20117533e0845c22270e9275ed [0,1,0,0,1,0|1,0,1]=4 19 B31R4.94997491 Cc1ccc(cc1)CCNc2nc(cs2)c3cc(n(c3C)CC4CCCO4)C 6799df0f720e499a5b0d8198f7408f57 [0,1,0,0,1,0|0,0,1]=3 20 B31R4.94997491 Cc1ccc(cc1)SCNc2nc(cs2)c3cc(n(c3C)CC4CCCO4)C 16e511e37a03e27db1281f04f09533f4 [0,1,0,0,1,0|1,0,1]=4 21 B31R4.242490979 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccccc4Br 79d98cac8b4feb2b3274281e4ab5b6d5 [0,1,0,0,1,0|0,0,1]=3 22 B31R4.242490979 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccccc4Cl 1721a807fe2d64fe208c15e6c589ccc0 [0,1,0,0,1,0|0,0,1]=3 23 B31R4.242490979 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccccc4F cfa9092b20bf9817865c7fd8843ff223 [0,1,0,0,1,0|0,0,1]=3 24 B31R4.242490979 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccccc4I 6df4b426aeca69eab52cd3aad9b2f516 [0,1,0,0,1,0|0,0,1]=3 25 B31R4.242490979 Cc1ccccc1CCNc2nc(cs2)c3cc(n(c3C)CC4CCCO4)C 0ad148a52bed4dbd4ddc0551848f9fa6 [0,1,0,0,1,0|0,0,1]=3 26 B31R4.273161722 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NC(C)Cc4ccccc4 e98b8d3baac1f579b9b2c7f852943a6d [0,1,0,0,1,0|0,0,1]=3 27 B31R4.353005580 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4cccc(c4)Br f7a73d64e8bc15b0c37ce49924944576 [0,1,0,0,1,0|0,0,1]=3 28 B31R4.353005580 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4cccc(c4)Cl 48ca721859b8554de1f3ac3f687caadf [0,1,0,0,1,0|0,0,1]=3 29 B31R4.353005580 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4cccc(c4)F ab95c885f1151070e84930e5704b4a54 [0,1,0,0,1,0|0,0,1]=3 30 B31R4.353005580 Cc1cccc(c1)CCNc2nc(cs2)c3cc(n(c3C)CC4CCCO4)C cbf511115cfdf4f90b6e9316df2308f2 [0,1,0,0,1,0|0,0,1]=3 31 B31R5.125633024 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NC4Cc5c4cccc5 166e507cf5e9a5a29e05411bef03c275 [0,0,0,1,1,0|0,0,1]=3 32 B29R4.34506208 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4cccs4 7940c6c507790a0e8bbd9c14ac3b6a52 [0,0,0,0,2,0|1,0,1]=4 33 B29R4.34506208 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCc4ccsc4 706affb0400b0c44e9ca8ca1ebdc751f [0,0,0,0,2,0|1,0,1]=4 34 B29R4.34506208 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCCn4cccc4 8eb1afc402fb2ffca0296296b5a359d5 [0,0,0,0,2,0|1,0,1]=4 35 B29R4.34506210 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCc4ccccc4 4f596b49464ec3b592413b2b4b1829f1 [0,0,0,0,2,0|0,0,1]=3 36 B29R4.34506210 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCc4ccccn4 af15c81b700277272eb3fef593ff11a1 [0,0,0,0,2,0|1,0,1]=4 37 B29R4.34506210 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)NCc4cccnc4 64263992a55450cb37b6317b4301d404 [0,0,0,0,2,0|1,0,1]=4