0 B30R4.362804736 C#Cc1cccc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 397d2f98aee8e7395797819dc2154e3e [0,1,0,0,0,0|1,0,1]=3 1 B30R4.362804736 CCc1cccc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 9b6bb8cb7176c520b2caeeca81976685 [0,1,0,0,0,0|1,0,0]=2 2 B30R4.362804736 COc1cc(ccn1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 2b1d570b3ae6cf7b3b96525a99d6ea5d [0,1,0,0,0,0|1,0,0]=2 3 B30R4.362804736 COc1cc(ncn1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 763b1ad7386f2776e90deae813ff707a [0,1,0,0,0,0|2,0,0]=3 4 B30R4.362804736 COc1cccc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 c0d3455f04a7238b7e9d889d97fd1da9 [0,1,0,0,0,0|0,0,0]=1 5 B30R4.362804736 COc1cccc(n1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 4bcf71122bd35efca9688a13eec9c1e4 [0,1,0,0,0,0|1,0,0]=2 6 B30R4.362804736 COc1ccnc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 fdc0b33536c61ca025db5bad2bb74e71 [0,1,0,0,0,0|1,0,0]=2 7 B30R4.362804736 COc1ccnc(n1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 0a6ae12d3d5a3e3b4899460dfbad9c86 [0,1,0,0,0,0|2,0,0]=3 8 B30R4.362804736 COc1cncc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 08c1a165cba18901cb3560e90db8604c [0,1,0,0,0,0|1,0,0]=2 9 B30R4.362804736 COc1nccc(n1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 9795996853fa78fdea54cd2589aa3f16 [0,1,0,0,0,0|2,0,0]=3 10 B30R4.362804736 CSc1cccc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 351e396be03c7f15d3013c3f2cbc26b7 [0,1,0,0,0,0|0,1,0]=2 11 B30R4.362804736 CSc1nccc(n1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 47b82e03c19d761c98ad2ba588fbf3a3 [0,1,0,0,0,0|2,1,0]=4 12 B30R4.362804736 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3)C#N)c4ccccc4 fbb9c319830ccf16f5967cb69accc038 [0,1,0,0,0,0|2,0,0]=3 13 B30R4.362804736 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3)CO)c4ccccc4 e501c2cd505d41aa930acdd58626320d [0,1,0,0,0,0|2,0,0]=3 14 B30R4.362804736 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(n3)CO)c4ccccc4 b26190fa9568edb81b15fe64a7725fff [0,1,0,0,0,0|3,0,0]=4 15 B28R3.967292 COc1cccc(c1)CNC(=O)C(C)Oc2cc(n[nH]2)c3ccccc3 62bfab87ae2c277e7604e96508329d81 [0,0,1,0,0,0|0,1,2]=4 16 B28R3.967292 COc1cccc(c1)CNC(=O)N(C)Cc2cc(n[nH]2)c3ccccc3 ec58d81c7e9794f5af42c4e27b313265 [0,0,1,0,0,0|2,0,1]=4 17 B28R3.104775474 COc1cccc(c1)CNC(=O)CNc2[nH]nc(c2Br)c3ccccc3 50a5c0ab0f1546a818f85ffc6ec21f5d [0,0,1,0,0,0|2,0,1]=4 18 B28R3.104775474 COc1cccc(c1)CNC(=O)CNc2[nH]nc(c2C)c3ccccc3 77e29b48fd715f1660fc0c74316d8090 [0,0,1,0,0,0|1,0,2]=4 19 B28R3.104775474 COc1cccc(c1)CNC(=O)CNc2[nH]nc(c2F)c3ccccc3 1a9e13565973bfe6966ab55a2cefda77 [0,0,1,0,0,0|2,0,1]=4 20 B30R4.73923528 COc1cccc(c1)CNC(=O)N2CCc3[nH]nc(c3C2)c4ccccc4 31d23c8cc6f006ee460209bb1a560215 [0,0,0,0,0,1|2,0,1]=4 21 B30R4.73923528 COc1cccc(c1)CNC(=O)c2ccc3nnc(n3c2)c4ccccc4 04c9f69d154e54e3c625b68efc06d3ba [0,0,0,0,0,1|2,0,1]=4 22 B30R4.73923528 COc1cccc(c1)CNC(=O)c2ccc3noc(c3c2)c4ccccc4 2f31577694e2d9368a2a280067e1bdcf [0,0,0,0,0,1|2,0,1]=4 23 B30R4.362826044 COc1cccc(c1)CNC(=O)c2ccc3c(c2)cnn3c4ccccc4 eb2aa2d7130f1ee620560811a25d3af3 [0,0,0,0,0,1|3,0,0]=4 24 B27R3.1295240 COc1cccc(c1)CNC(=O)NCc2c[nH]nc2c3ccccc3 4b986cc612820232a96e6c440fc39b12 [1,0,1,0,0,0|1,0,1]=4 25 B27R3.1295242 COc1cccc(c1)CNC(=O)COc2cc(n[nH]2)c3ccccc3 aa48bd30df47ffa20765546d6442c961 [1,0,1,0,0,0|0,1,1]=4 26 B29R3.12042680 COc1cccc(c1)CNC(=O)c2ccc(s2)NC(=O)Nc3ccccc3 93f9928f00d9d5a155f5bcaedf326c14 [0,1,1,0,0,0|2,0,0]=4 27 B29R4.16250931 COc1cccc(c1)COCc2cc3c(nn(c3s2)C)c4ccccc4 931188ea45ce5a86e5a4c2daefdce835 [1,1,0,0,0,0|1,0,1]=4 28 B29R4.379095931 Cc1cc(ccn1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 f50989978eaec7123b4aea1d68f5c15e [1,1,0,0,0,0|1,0,0]=3 29 B29R4.379095931 Cc1cccc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 0f964643f09dedf74fd8cd00cee63ab4 [1,1,0,0,0,0|0,0,0]=2 30 B29R4.379095931 Cc1cccc(n1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 eab91b85b20bcefb34ab343a1d1525c6 [1,1,0,0,0,0|1,0,0]=3 31 B29R4.379095931 Cc1ccnc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 d701654af26384896c987470d9a72df1 [1,1,0,0,0,0|1,0,0]=3 32 B29R4.379095931 Cc1ccnc(n1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 f2a96ffb5b08c04de6748e6966671083 [1,1,0,0,0,0|2,0,0]=4 33 B29R4.379095931 Cc1cncc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 7617c8c6bb7b94f7ce57ccd066f5c7b7 [1,1,0,0,0,0|1,0,0]=3 34 B29R4.379095931 Cc1nccc(n1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 c77b26c56de9d8b50c8c12f33d439462 [1,1,0,0,0,0|2,0,0]=4 35 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cc(ccn3)Br)c4ccccc4 5876529f7c0d4cdb02413a9fa1c9f37c [1,1,0,0,0,0|2,0,0]=4 36 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cc(ccn3)Cl)c4ccccc4 bea563f5b3af26abfdc6e930b730f545 [1,1,0,0,0,0|2,0,0]=4 37 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3ccc[n+](c3)[O-])c4ccccc4 c5e4ff2af60b1b22c2c3f62bdecb9ca1 [1,1,0,0,0,0|1,0,1]=4 38 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3)Br)c4ccccc4 0c89358cc2e12b88afbf4b8ac2084b4d [1,1,0,0,0,0|1,0,0]=3 39 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3)Cl)c4ccccc4 1dbb2220f7e5b03e3f0a043ce05506fc [1,1,0,0,0,0|1,0,0]=3 40 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3)F)c4ccccc4 318a53904225c9decc9fc97f903f69b7 [1,1,0,0,0,0|1,0,0]=3 41 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3)I)c4ccccc4 74f4544a259814ce3d15c9a194f0cac3 [1,1,0,0,0,0|1,0,0]=3 42 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3)O)c4ccccc4 3cd931174fa089086514a4bbd8e6b736 [1,1,0,0,0,0|0,0,0]=2 43 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(n3)Br)c4ccccc4 1c41c1cb9cc947b31834d63972318516 [1,1,0,0,0,0|2,0,0]=4 44 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(n3)Cl)c4ccccc4 5c7ea803ac62067528e617131029bbf6 [1,1,0,0,0,0|2,0,0]=4 45 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(n3)F)c4ccccc4 0c7bf6bf4ff60f7945453f607eef2336 [1,1,0,0,0,0|2,0,0]=4 46 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3ccnc(c3)Br)c4ccccc4 3267d8aa914e59e54a95a0d30fbeee41 [1,1,0,0,0,0|2,0,0]=4 47 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3ccnc(c3)Cl)c4ccccc4 e2ac26aefa04e7306b0f04c8479fbd03 [1,1,0,0,0,0|2,0,0]=4 48 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3ccnc(c3)F)c4ccccc4 506c7c6cb747b71e81d9cb1fe17381aa [1,1,0,0,0,0|2,0,0]=4 49 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cncc(c3)Br)c4ccccc4 a19982398b09373478d45073df5ddb93 [1,1,0,0,0,0|2,0,0]=4 50 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cncc(c3)Cl)c4ccccc4 c9cc75343b483f8ea946acb80d6c9b1f [1,1,0,0,0,0|2,0,0]=4 51 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cncc(c3)F)c4ccccc4 fd5ef06c6d674185ed3b601ddff5b31d [1,1,0,0,0,0|2,0,0]=4 52 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3cncc(c3)O)c4ccccc4 4f4995aa2926c57512bbde4ec1c284b3 [1,1,0,0,0,0|1,0,0]=3 53 B29R4.379095931 Cn1nc(c2c1sc(c2)C(=O)NCc3nccc(n3)O)c4ccccc4 02e2eac23fb6a997a34603b24ffcf9d8 [1,1,0,0,0,0|2,0,0]=4 54 B29R4.607052217 C#Cc1cccc(c1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 ddcca79842ded12884a677313713057b [0,1,0,0,1,0|1,0,1]=4 55 B29R4.607052217 C=Cc1cccc(c1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 37cb8e7924c9087e191c3c255a225c5d [0,1,0,0,1,0|1,0,1]=4 56 B29R4.607052217 CCc1cc(ccn1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 3ad69e67ce89f4740b9586465016522d [0,1,0,0,1,0|2,0,0]=4 57 B29R4.607052217 CCc1cccc(c1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 5e6ad35db1db1cf5ef67a0327adafc22 [0,1,0,0,1,0|1,0,0]=3 58 B29R4.607052217 CCc1cccc(n1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 f0598639df688ffb433f9c45401f9e77 [0,1,0,0,1,0|2,0,0]=4 59 B29R4.607052217 CCc1ccnc(c1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 778d3d0288a0b264e632bcfcd1d169a5 [0,1,0,0,1,0|2,0,0]=4 60 B29R4.607052217 CCc1cncc(c1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 a98b40af5db63a97414da84fcaadaf76 [0,1,0,0,1,0|2,0,0]=4 61 B29R4.607052217 COc1cc(ccn1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 8c9c8b3f022ec9ea1823d939a9376c4a [0,1,0,0,1,0|1,0,0]=3 62 B29R4.607052217 COc1cccc(c1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 ee0bcf8f09501904904137005dffa2e3 [0,1,0,0,1,0|0,0,0]=2 63 B29R4.607052217 COc1ccnc(c1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 ca62c0c335c5ff4b8ac0ebdccf7972d4 [0,1,0,0,1,0|1,0,0]=3 64 B29R4.607052217 COc1cncc(n1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 a7211d2a319e50a777866552f05faba5 [0,1,0,0,1,0|2,0,0]=4 65 B29R4.607052217 COc1cnnc(c1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 aeac91b3375367651192f2b5c493182b [0,1,0,0,1,0|2,0,0]=4 66 B29R4.607052217 COc1nccc(n1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 2da120fe68bdfc3ff0e5009a1e0c2862 [0,1,0,0,1,0|2,0,0]=4 67 B29R4.607052217 CSc1cccc(c1)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 f1588f1dabc7523b9d1b8b6b5772c425 [0,1,0,0,1,0|0,1,0]=3 68 B29R4.607052217 Cn1nc(c2c1sc(c2)C(=O)Nc3cccc(c3)C#N)c4ccccc4 012f2cf66c6e42dafa6373f9d81f7ebb [0,1,0,0,1,0|2,0,0]=4 69 B29R4.607052217 Cn1nc(c2c1sc(c2)C(=O)Nc3cccc(c3)CBr)c4ccccc4 086a668551f707f0c7732acb2a4a1252 [0,1,0,0,1,0|2,0,0]=4 70 B29R4.607052217 Cn1nc(c2c1sc(c2)C(=O)Nc3cccc(c3)CF)c4ccccc4 e530dfef99cff09a83bface66a2a1ddd [0,1,0,0,1,0|2,0,0]=4 71 B29R4.607052217 Cn1nc(c2c1sc(c2)C(=O)Nc3cccc(c3)CO)c4ccccc4 58eb355f04335ec0c8aafc608415c1a6 [0,1,0,0,1,0|2,0,0]=4 72 B29R4.163965447 COc1ccsc1CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 14c4969cf2cb893730851684cc7ee700 [0,1,0,0,1,0|1,0,0]=3 73 B31R4.169415953 COc1cccc(c1)CCNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 0434e99a58b411f2c4474dd372b28279 [0,1,0,0,0,1|0,0,0]=2 74 B31R4.169415953 Cn1nc(c2c1sc(c2)C(=O)NCCc3cccc(c3)CO)c4ccccc4 7aa68d5994e7e82f02eebfe01ace1bdb [0,1,0,0,0,1|2,0,0]=4 75 B31R4.361673605 COc1cc(cc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4)Br 1f8a2f654a5c3081f760182e8a2a1c77 [0,2,0,0,0,0|0,0,0]=2 76 B31R4.361673605 COc1cc(cc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4)C d0a580c7c4569008aac7a2921847fd73 [0,2,0,0,0,0|0,0,0]=2 77 B31R4.361673605 COc1cc(cc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4)Cl e616c85f710739ca447f63ca16434b01 [0,2,0,0,0,0|0,0,0]=2 78 B31R4.361673605 COc1cc(cc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4)F df6b313a2b1ad6b8c64686508d516363 [0,2,0,0,0,0|0,0,0]=2 79 B31R4.361673605 COc1cc(cc(n1)Cl)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 3bd732d86a7f133a631b5b397ea18e64 [0,2,0,0,0,0|1,0,0]=3 80 B31R4.361673605 Cn1nc(c2c1sc(c2)C(=O)NCc3cc(cc(c3)C#N)Br)c4ccccc4 dce0e1885632b44a659676456b5b7681 [0,2,0,0,0,0|2,0,0]=4 81 B31R4.361673605 Cn1nc(c2c1sc(c2)C(=O)NCc3cc(cc(c3)C#N)Cl)c4ccccc4 f08289cdf9c56bda2afc9e21d6c75d76 [0,2,0,0,0,0|2,0,0]=4 82 B31R4.361673605 Cn1nc(c2c1sc(c2)C(=O)NCc3cc(cc(c3)C#N)F)c4ccccc4 d6165fb8c01b5019033eaed916e2a2ae [0,2,0,0,0,0|2,0,0]=4 83 B31R4.1058452882 COc1ccc(c(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4)Br d0752f1dfbd045281253239f112b4d1d [0,2,0,0,0,0|0,0,0]=2 84 B31R4.1058452882 COc1ccc(c(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4)C 0ab6851d31a6eaac45020c4a70581e65 [0,2,0,0,0,0|0,0,0]=2 85 B31R4.1058452882 COc1ccc(c(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4)F 44fc9794423ba78b55ad9773c2a9e13f [0,2,0,0,0,0|0,0,0]=2 86 B31R4.1058452882 COc1ccc(c(n1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4)Br 5454fd934913a02dc03a575bd12f6103 [0,2,0,0,0,0|1,0,0]=3 87 B31R4.1058452882 COc1ccc(c(n1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4)Cl 7f236c6bc9d087a722b0d0d47f2d9d81 [0,2,0,0,0,0|1,0,0]=3 88 B31R4.1058452882 Cn1nc(c2c1sc(c2)C(=O)NCc3cc(ccc3F)C#N)c4ccccc4 c0dc248595b8ad3b68bbe0d3ef30edca [0,2,0,0,0,0|2,0,0]=4 89 B31R4.150817689 COc1cc(ccc1Br)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 28f55443c452dbaec6128c00ace146c0 [0,2,0,0,0,0|0,0,0]=2 90 B31R4.150817689 COc1cc(ccc1Cl)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 01dcc2bbfc8d7a749810eaf2093b8815 [0,2,0,0,0,0|0,0,0]=2 91 B31R4.150817689 COc1cc(ccc1F)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 fd5c5581533d904a833ab2dfe57a59df [0,2,0,0,0,0|0,0,0]=2 92 B31R4.150817689 COc1cc(ccc1O)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 1dfe5bf80f982cae170f0d031f99b017 [0,2,0,0,0,0|0,0,0]=2 93 B31R4.150817689 COc1nc(ccc1Cl)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 8f08919e220b78b3013b58d4395e0185 [0,2,0,0,0,0|1,0,0]=3 94 B31R4.150817689 Cn1nc(c2c1sc(c2)C(=O)NCc3ccc(c(c3)C#N)Cl)c4ccccc4 398631e993d7c4ccd6acad026c7ee911 [0,2,0,0,0,0|2,0,0]=4 95 B31R4.150817689 Cn1nc(c2c1sc(c2)C(=O)NCc3ccc(c(c3)C#N)F)c4ccccc4 f0e8e07cb1f8c90dae7082741c5f2cc9 [0,2,0,0,0,0|2,0,0]=4 96 B31R4.150817689 Cn1nc(c2c1sc(c2)C(=O)NCc3ccc(c(c3)CO)F)c4ccccc4 c5068515a9171a61cd68a4824a967924 [0,2,0,0,0,0|2,0,0]=4 97 B31R4.169010661 CC(NC(=O)c1cc2c(nn(c2s1)C)c3ccccc3)c4cccc(c4)C#N 816fd252bd9684b05420f37cbc658dc3 [0,2,0,0,0,0|2,0,0]=4 98 B31R4.169010661 COc1cc(ccn1)C(C)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 a3f4e18c2f6821042d0faddf41cdee16 [0,2,0,0,0,0|1,0,0]=3 99 B31R4.169010661 COc1cc(ccn1)[C@@H](C)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 94386140578b954c6fba5dc747e7c4a7 [0,2,0,0,0,0|1,0,0]=3 100 B31R4.169010661 COc1cc(ccn1)[C@H](C)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 04c3e1214cb27ab80f914f777cd3fa16 [0,2,0,0,0,0|1,0,0]=3 101 B31R4.169010661 COc1cccc(c1)C(C)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 2d888df3e1d73f9d4ff9621efaa4b4ee [0,2,0,0,0,0|0,0,0]=2 102 B31R4.169010661 COc1cccc(c1)[C@@H](C)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 905d71a9196340eccc43c4154413f798 [0,2,0,0,0,0|0,0,0]=2 103 B31R4.169010661 COc1cccc(c1)[C@H](C)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 5ac67ec2379c3a19c629b192543c9e9f [0,2,0,0,0,0|0,0,0]=2 104 B31R4.169010661 COc1cccc(n1)C(C)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 34f1c772e6da4592f15ed7b51af54bba [0,2,0,0,0,0|1,0,0]=3 105 B31R4.169010661 COc1cccc(n1)[C@@H](C)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 033da61dc156e5cbf23d44cfb4b0b2ba [0,2,0,0,0,0|1,0,0]=3 106 B31R4.169010661 COc1cccc(n1)[C@H](C)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 7a0f8b992e89e4369cc0439565f0ecd7 [0,2,0,0,0,0|1,0,0]=3 107 B31R4.169010661 COc1ccnc(c1)C(C)NC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 450341110b03ea11c9aa4044cf05014e [0,2,0,0,0,0|1,0,0]=3 108 B31R4.169010661 C[C@@H](NC(=O)c1cc2c(nn(c2s1)C)c3ccccc3)c4cccc(c4)C#N 74fe171b6b7a44bf0e1332f3894efbce [0,2,0,0,0,0|2,0,0]=4 109 B31R4.169010661 C[C@H](NC(=O)c1cc2c(nn(c2s1)C)c3ccccc3)c4cccc(c4)C#N f49b4d0dbfa28746a9d7bea6350f88f2 [0,2,0,0,0,0|2,0,0]=4 110 B31R4.169035933 CN(Cc1cccc(c1)C#N)C(=O)c2cc3c(nn(c3s2)C)c4ccccc4 dc5a60d3d1791333d358f798a79b3d42 [0,2,0,0,0,0|2,0,0]=4 111 B31R4.169035933 CN(Cc1cccc(c1)CO)C(=O)c2cc3c(nn(c3s2)C)c4ccccc4 62c3a59e956171d030297a580101ca65 [0,2,0,0,0,0|2,0,0]=4 112 B31R4.169035933 COc1cccc(c1)CN(C)C(=O)c2cc3c(nn(c3s2)C)c4ccccc4 532a0c2555eadb8415c3b69180019862 [0,2,0,0,0,0|0,0,0]=2 113 B31R4.169035933 COc1cccc(n1)CN(C)C(=O)c2cc3c(nn(c3s2)C)c4ccccc4 e119d87a9ef02e92f62c2a9b55d6ae54 [0,2,0,0,0,0|1,0,0]=3 114 B31R4.169035933 COc1cncc(c1)CN(C)C(=O)c2cc3c(nn(c3s2)C)c4ccccc4 1a6f1b899260ff22ceb7b6d859bf32a1 [0,2,0,0,0,0|1,0,0]=3 115 B31R4.169035933 CSc1cccc(c1)CN(C)C(=O)c2cc3c(nn(c3s2)C)c4ccccc4 3f6764f04f21aeee72431aabe62afd64 [0,2,0,0,0,0|0,1,0]=3 116 B31R4.170813372 COc1cccc(c1Br)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 47934d4ffc6128e757d113b89ce1c69e [0,2,0,0,0,0|0,0,0]=2 117 B31R4.170813372 COc1cccc(c1F)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 c7841031e9ea60888c62554a0d06e592 [0,2,0,0,0,0|0,0,0]=2 118 B31R4.170813372 COc1ccnc(c1F)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 8c72aa0b4be79d5e359414eacd5dad9d [0,2,0,0,0,0|1,0,0]=3 119 B31R4.170813372 COc1nccc(c1F)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 7c135b35841ab67253ef4c2f0d17e754 [0,2,0,0,0,0|1,0,0]=3 120 B31R4.170813372 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3F)C#N)c4ccccc4 335fcca75bba6b685605b0e84defb880 [0,2,0,0,0,0|2,0,0]=4 121 B31R4.170813372 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3F)CO)c4ccccc4 7f079a28fb330cbf7333169c5d3cafb2 [0,2,0,0,0,0|2,0,0]=4 122 B31R4.127569010 CC(C)c1cccc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 3ff54631bdcea1031531e152e4c81ba0 [0,2,0,0,0,0|1,0,0]=3 123 B31R4.127569010 CN(C)c1cccc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 5c0cf18f9ffaeadee43901c08e92ba29 [0,2,0,0,0,0|1,0,0]=3 124 B31R4.127569010 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3)C(=O)N)c4ccccc4 dd6fa2fe40028ec88cc654ce04ece38b [0,2,0,0,0,0|2,0,0]=4 125 B31R4.127569010 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3)[N+](=O)[O-])c4ccccc4 fe2b9abceb8864fdf184fd2bda2d79d9 [0,2,0,0,0,0|2,0,0]=4 126 B31R4.394455660 CCOc1cc(ccn1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 f75605f3ffa88c6d6e513cab9e7033b3 [0,2,0,0,0,0|1,0,0]=3 127 B31R4.394455660 CCOc1cccc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 48c5b91fbc1a736c5d6361e286774a75 [0,2,0,0,0,0|0,0,0]=2 128 B31R4.394455660 COCc1cccc(c1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 aa2871c6c349519fc6b5d2381448d42a [0,2,0,0,0,0|0,0,0]=2 129 B31R4.394455660 COCc1cccc(n1)CNC(=O)c2cc3c(nn(c3s2)C)c4ccccc4 23386be572bc91966196f42ef75d05f8 [0,2,0,0,0,0|1,0,0]=3 130 B31R4.394455660 Cn1nc(c2c1sc(c2)C(=O)NCc3cccc(c3)CCO)c4ccccc4 ddd95f992d8bf131106e43a590111905 [0,2,0,0,0,0|1,0,0]=3 131 B29R4.404209 COc1cccc(c1)CNC(=O)c2csc(n2)n3ncc4c3cccc4 f90d955c00b4a8b18b99f4631120ab40 [0,0,1,1,0,0|2,0,0]=4 132 B27R3.12452569 COc1cccc(c1)CNC(=O)Nc2[nH]nc(c2Br)c3ccccc3 654647c33656448babe64a84a01991f3 [0,0,1,0,1,0|2,0,0]=4 133 B27R3.12452569 COc1cccc(c1)CNC(=O)Nc2[nH]nc(c2C)c3ccccc3 75aeb62b597c252ecfd5f1725ef16108 [0,0,1,0,1,0|1,0,1]=4 134 B27R3.12452569 COc1cccc(c1)CNC(=O)Nc2[nH]nc(c2F)c3ccccc3 76c1668e6432dffafcc93947451a642a [0,0,1,0,1,0|2,0,0]=4 135 B31R4.22516531 CCc1cccc(c1)CNC(=O)Nc2ccc3[nH]nc(c3c2)c4ccccc4 50024a4e98cdf608c106b4545d0bbccf [0,0,0,0,0,2|2,0,0]=4 136 B31R4.22516531 COc1cc(ccn1)CNC(=O)Nc2ccc3[nH]nc(c3c2)c4ccccc4 a47991561f06e5ff811e63a8113f450d [0,0,0,0,0,2|2,0,0]=4 137 B31R4.22516531 COc1cccc(c1)CNC(=O)Nc2ccc3[nH]nc(c3c2)c4ccccc4 08978a97f7bc54dc4dd9bbc4bc52f96c [0,0,0,0,0,2|1,0,0]=3 138 B31R4.22516531 COc1cccc(c1)CNC(=O)Nc2ccc3[nH]nc(c3c2)c4cccnc4 ded89cd70bb44979ef14c200432d86c4 [0,0,0,0,0,2|2,0,0]=4 139 B31R4.22516531 COc1cccc(c1)CNC(=S)Nc2ccc3[nH]nc(c3c2)c4ccccc4 7c0c36cd3cb0f67823fd11329a6509a8 [0,0,0,0,0,2|1,1,0]=4 140 B31R4.22516531 COc1cccc(n1)CNC(=O)Nc2ccc3[nH]nc(c3c2)c4ccccc4 1b0492037c94ec7bd2992af47af66d01 [0,0,0,0,0,2|2,0,0]=4 141 B31R4.22516531 COc1ccnc(c1)CNC(=O)Nc2ccc3[nH]nc(c3c2)c4ccccc4 fff65518bacfe32d3117b7078506f112 [0,0,0,0,0,2|2,0,0]=4 142 B31R4.22516531 COc1cncc(c1)CNC(=O)Nc2ccc3[nH]nc(c3c2)c4ccccc4 5bf979630a056b9061bce12095d50017 [0,0,0,0,0,2|2,0,0]=4 143 B31R4.22516531 CSc1cccc(c1)CNC(=O)Nc2ccc3[nH]nc(c3c2)c4ccccc4 07e9704cf1c799c8962119a5e15ea36a [0,0,0,0,0,2|1,1,0]=4