0 B14R1.736 CCN(C)c1cccc(c1F)C(C)C 654b4ff50ec67dd5444ffaf5ca42cd5e [0,1,0,0,0,0|2,0,0]=3 1 B14R1.736 CCN(C)c1cccc(c1F)C(C)O d3eace7ff3616d14ac5cc419b1d55d55 [0,1,0,0,0,0|3,0,0]=4 2 B14R1.736 CCN(C)c1cccc(c1O)C(=O)C 14ceec6e905872145882d365a3fdc51a [0,1,0,0,0,0|2,0,1]=4 3 B14R1.4450 CC(=O)Nc1cccc(c1F)C(C)C 01c0604aeebb185033940e0d1f1012de [0,0,0,0,0,1|2,0,1]=4 4 B14R1.4450 CC(=O)Nc1cccc(c1O)C(C)C bc6673bbdf6ddc26675dc7842ab50b14 [0,0,0,0,0,1|1,0,1]=3 5 B14R1.4450 CC(=O)c1cccc(c1Br)OC(C)C 405f3762f807ed808f86c12562f26de4 [0,0,0,0,0,1|2,0,1]=4 6 B14R1.4450 CC(=O)c1cccc(c1C)OC(C)C 589b8d2622884fc855b1a8f2fb6cfc4b [0,0,0,0,0,1|2,0,1]=4 7 B14R1.4450 CC(=O)c1cccc(c1Cl)OC(C)C 3a298f759d8e236a89b6cc130d6df59d [0,0,0,0,0,1|2,0,1]=4 8 B14R1.4450 CC(=O)c1cccc(c1F)NC(C)C 3149d1e1bb7213c937d0535104f9722a [0,0,0,0,0,1|2,0,1]=4 9 B14R1.4450 CC(=O)c1cccc(c1F)OC(C)C 37de323d39229056afc472b13653ed1e [0,0,0,0,0,1|2,0,1]=4 10 B14R1.4450 CC(C)Nc1cccn(c1=O)C(C)C fc92f4195c901228882c4a31d2a5dbe8 [0,0,0,0,0,1|1,0,1]=3 11 B14R1.4450 CC(C)Nc1ncnc(c1Br)C(C)C a89d327f7d9d1c1fe9d5ecf7729642d7 [0,0,0,0,0,1|3,0,0]=4 12 B13R1.543 CC(C)c1cccc(c1)N(C)C=O 37fe214c667e139b9e612e3cc2de04fd [1,1,0,0,0,0|1,0,1]=4 13 B13R1.543 CC(C)c1cccc(c1)N(C)CF 81a737705754e54cd5b6846df5ac673c [1,1,0,0,0,0|1,0,0]=3 14 B13R1.543 CC(C)c1cccc(c1)N(C)CO 7a6c29d6cb01754b8319392d3712f97e [1,1,0,0,0,0|1,0,0]=3 15 B13R1.543 CCN(C)c1cccc(c1)N(C)C 3dedfedeb7cc3bfd7f11356fbbf0a9e3 [1,1,0,0,0,0|2,0,0]=4 16 B13R1.82 CCc1cccc(c1F)N(C)CC ef3ee77d3c95f00b4b677c27334854e8 [1,1,0,0,0,0|2,0,0]=4 17 B13R1.377 CC(C)c1cccc(c1O)NC=O 859125a7e965eaec99276ad090183148 [1,1,0,0,0,0|1,0,1]=4 18 B13R1.377 CCNc1cccn(c1=O)C(C)C b6ffbc5c72bcbc0466d564e6bf0d395f [1,1,0,0,0,0|1,0,1]=4 19 B15R1.97 COc1c(cccc1C(=O)C)NC(C)C 59b7dfa3c85a6ea9ecdd11bfd08be816 [0,1,0,0,0,1|1,0,1]=4 20 B15R1.97 COc1c(cccc1C(=O)C)OC(C)C c643d4a8f702ac2087593444cbc75fc2 [0,1,0,0,0,1|1,0,1]=4 21 B15R1.969 CCN(C)c1cccc(c1F)OC(C)C fce43be7ef48cec5a9aceba348ade8ba [0,1,0,0,0,1|2,0,0]=4 22 B15R1.3842 C=CC(C)Nc1cccc(c1F)C(C)C 12d29e9c4da84bd9d875eee8daa49996 [0,1,0,0,0,1|1,0,1]=4 23 B15R1.3842 C=CC(C)Nc1cccc(c1O)C(C)C 9d996d486694d29a09eef3c705b73d66 [0,1,0,0,0,1|0,0,1]=3 24 B15R1.3842 CC(C)c1cccc(c1F)N[C@H](C)C=O 492bdd8e9beb7c693323e03457bf4053 [0,1,0,0,0,1|1,0,1]=4 25 B15R1.3842 CC(C)c1cccc(c1O)NC(=O)CF c1642f8d219a97e80eb7706590438938 [0,1,0,0,0,1|1,0,1]=4 26 B15R1.3842 CC(C)c1cccc(c1O)NC(=O)CO 5fb3c07715e8330ace6771b607e2dff2 [0,1,0,0,0,1|1,0,1]=4 27 B15R1.3842 CC(C)c1cccc(c1O)NC(=O)CS e86d785b37499a714d2fa69a4701ae00 [0,1,0,0,0,1|1,0,1]=4 28 B15R1.3842 CC(C)n1cccc(c1=O)N[C@@H](C)CO bbf0d803a010cac9169dd7870286c8e9 [0,1,0,0,0,1|1,0,1]=4 29 B15R1.3842 CC(C)n1cccc(c1=O)N[C@H](C)CO 3c399a4faa2bb56ae8e7b37b8616a8f8 [0,1,0,0,0,1|1,0,1]=4 30 B15R1.3842 CC(C=O)Nc1cccc(c1F)C(C)C abcdcedf2667f963a2fec46646a36f8e [0,1,0,0,0,1|1,0,1]=4 31 B15R1.3842 CC(CO)Nc1cccn(c1=O)C(C)C 1b8d710ccf4854e71d7a196536096eda [0,1,0,0,0,1|1,0,1]=4 32 B15R1.3842 CCC(=O)Nc1cccc(c1O)C(C)C ebdd6f0673c06b37776a4a21e27d162c [0,1,0,0,0,1|1,0,1]=4 33 B15R1.3842 CCC(C)Nc1cccc(c1F)C(C)C e09e48bcfa2240d45cfefa0988faaaba [0,1,0,0,0,1|1,0,0]=3 34 B15R1.3842 CCC(C)Nc1cccn(c1=O)C(C)C a37078b3a5625adf39f756887ec31675 [0,1,0,0,0,1|1,0,1]=4 35 B15R1.25136 CC(=O)Nc1cccc(c1O)C(C)(C)C 4e1763ece9a77c2307dd0e91bdc3eb43 [0,1,0,0,0,1|1,0,1]=4 36 B15R1.25700 CC(=O)c1cccc(c1O)NC(C)(C)C 5dc5214626fffbb94f285051e9d313eb [0,1,0,0,0,1|1,0,1]=4 37 B15R1.7297 CC(C)c1cccc(c1NCO)C(C)C c274190fe580647a396b9272ffddad00 [0,2,0,0,0,0|0,0,0]=2 38 B15R1.7297 CC(C)c1cccc(c1OCF)C(C)C 7b676c84b0a3a3bd158aaa0749a982f0 [0,2,0,0,0,0|0,0,0]=2 39 B15R1.7297 CC(C)c1ccnc(c1NC=O)C(C)C 87dee82b1e75d7b3c1a66a61e65b4d79 [0,2,0,0,0,0|1,0,1]=4 40 B15R1.7297 CC(C)c1ccnc(c1NCF)C(C)C 46e1ddf62e6217f87e4c3f3d0243a7b4 [0,2,0,0,0,0|2,0,0]=4 41 B15R1.7297 CC(C)c1ccnc(c1NCO)C(C)C a941a0c649b32d6f32ae41747123dfa5 [0,2,0,0,0,0|1,0,0]=3 42 B15R1.7297 CC(C)c1cncc(c1NCO)C(C)C e1d69cab32c6e7e1e4421a7b96edd4dd [0,2,0,0,0,0|1,0,0]=3 43 B15R1.7297 CC(C)c1ncnc(c1NCO)C(C)C ef26a41bc8c998419fb829459fb0760a [0,2,0,0,0,0|2,0,0]=4 44 B15R1.7297 CCNc1c(ccnc1C(C)C)C(C)C 7270f46aa47069ec6e14973e118a7113 [0,2,0,0,0,0|2,0,0]=4 45 B15R1.7297 CCNc1c(cncc1C(C)C)C(C)C 9fdf82ffbd8a21316b42094e88fe0f1f [0,2,0,0,0,0|2,0,0]=4 46 B15R1.7297 CCOc1c(cccc1C(C)C)C(C)C 38ed8095374f5f31eff19b3a69a73e47 [0,2,0,0,0,0|0,0,0]=2 47 B15R1.801 C=CCN(C)c1cccc(c1F)C(C)C 0c4b316a9f8a5a92c6b4f39309a8bfa2 [0,2,0,0,0,0|2,0,0]=4 48 B15R1.801 C=CCN(C)c1cccc(c1O)C(C)C 82d4e14f4c401a669c04c621ca092606 [0,2,0,0,0,0|1,0,0]=3 49 B15R1.801 CC(C)c1cccc(c1F)N(C)CCO 0cfec151642bd02621b6ba1bbebb6518 [0,2,0,0,0,0|2,0,0]=4 50 B15R1.970 CCN(C)c1cccc(c1F)C(C)OC 7f929129791feb2fbb18930973f4f95f [0,2,0,0,0,0|2,0,0]=4 51 B15R1.971 CCN(C)c1cccc(c1F)C(C)(C)O aeb01a019f572226c0fd0b373becdc8d [0,2,0,0,0,0|2,0,0]=4 52 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 89b2a462e2c5ecc1be668f6436f410f7 [0,0,1,1,0,0|2,0,0]=4 53 B13R1.585 CC(C)Nc1ccc(cn1)C(C)C 7f1ca8aedd387b8f680fa0b857af1324 [0,0,1,1,0,0|2,0,0]=4 54 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C cc289477fa7eab9044cd1fe112276acb [0,0,1,1,0,0|2,0,0]=4 55 B13R1.589 CC(C)Nc1ncccc1C(C)C de375fe293567e807d4f9998dffac8e6 [0,0,1,1,0,0|2,0,0]=4 56 B13R1.589 CC(C)Oc1ccccc1C(C)C 5f84bf88b6f90e0a401b39f13d41fbed [0,0,1,1,0,0|2,0,0]=4 57 B15R2.43318 CC(=O)c1cccc(c1O)NC2CC2 3afcf109523bc62edd6b3f417e5a4ed3 [0,0,0,1,0,1|1,0,1]=4 58 B15R2.43318 CC(C)n1cccc(c1=O)NC2CC2 62f74fd5b3bc43eb4d4a40e7c765500e [0,0,0,1,0,1|1,0,1]=4 59 B15R2.45371 CC(C)Nc1cccc(c1F)C2CC2 1503400dc3be3dad56570754e9780796 [0,0,0,1,0,1|1,0,0]=3 60 B15R2.45371 CC(C)Nc1cccn(c1=O)C2CC2 489020804c055315a1d44e4e2f86d281 [0,0,0,1,0,1|1,0,1]=4 61 B15R2.45371 CC(C)Oc1cccc(c1F)C2CC2 fb348e49a5f80d551a2f44100439547f [0,0,0,1,0,1|1,0,0]=3 62 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C bf2565f0e6baa9db49017565cf6d7ea9 [1,0,0,0,0,1|1,0,1]=4 63 B13R1.587 CC(=O)c1cccc(c1)NC(C)C c967ebc9595f26a105e1378e3febb6df [1,0,0,0,0,1|1,0,1]=4 64 B13R1.587 CC(=O)c1cccc(c1)OC(C)C 72675541e7ed411489bc5372c2fc5ac4 [1,0,0,0,0,1|1,0,1]=4 65 B13R1.587 CC(C)Nc1cc(ccn1)C(C)C f94fa1963c77948a7697f80f45ebaa6c [1,0,0,0,0,1|1,0,0]=3 66 B13R1.587 CC(C)Nc1cc(ccn1)C(C)O f121d4e3fbabda80abb81fd8d8d95134 [1,0,0,0,0,1|2,0,0]=4 67 B13R1.587 CC(C)Nc1cc(ccn1)N(C)C de2eff709f1694fec7d27ebd73690f2a [1,0,0,0,0,1|2,0,0]=4 68 B13R1.587 CC(C)Nc1cccc(c1)C(C)C 1ee83e982a8a29216479deba2d74835f [1,0,0,0,0,1|0,0,0]=2 69 B13R1.587 CC(C)Nc1cccc(c1)C(C)O 2a05abb79c3294969f9cac35b391508a [1,0,0,0,0,1|1,0,0]=3 70 B13R1.587 CC(C)Nc1cccc(c1)C(F)F 31ce841bd97d054b126a11ddc1f49448 [1,0,0,0,0,1|2,0,0]=4 71 B13R1.587 CC(C)Nc1cccc(c1)N(C)C 187783533d5035871a131301da0264fe [1,0,0,0,0,1|1,0,0]=3 72 B13R1.587 CC(C)Nc1cccc(c1)[C@@H](C)O 496451161e64c0cdec83d267ee8b4513 [1,0,0,0,0,1|1,0,0]=3 73 B13R1.587 CC(C)Nc1ccnc(c1)C(C)C 0d45dec81400657b79dcfa270e1b2260 [1,0,0,0,0,1|1,0,0]=3 74 B13R1.587 CC(C)Nc1ccnc(c1)N(C)C 691a31c410cf74b06890d2beb334ec44 [1,0,0,0,0,1|2,0,0]=4 75 B13R1.587 CC(C)Nc1ccnc(n1)C(C)C 7bb7c9770b315b24f9c94e975bf4efbe [1,0,0,0,0,1|2,0,0]=4 76 B13R1.587 CC(C)Nc1cncc(c1)C(C)C 3cdc1e84d02502ae5043599d1cc76ab8 [1,0,0,0,0,1|1,0,0]=3 77 B13R1.587 CC(C)Nc1nccc(n1)C(C)C dc7c9e2c34524cbf7a1272691f94f2e4 [1,0,0,0,0,1|2,0,0]=4 78 B13R1.587 CC(C)Oc1cc(ncn1)C(C)C ea3f0526fd2c22a1fa75c28b171f53a1 [1,0,0,0,0,1|2,0,0]=4 79 B13R1.587 CC(C)Oc1cccc(c1)C(C)C 362a34cd334e36c1e351783f8dbe156e [1,0,0,0,0,1|0,0,0]=2 80 B13R1.587 CC(C)Oc1cccc(c1)C(F)F 6c5189c617697ffbbfe211eba3797be1 [1,0,0,0,0,1|2,0,0]=4 81 B13R1.587 CC(C)Oc1cccc(c1)N(C)C f5b4e8b45634634ac3ae8a05a034193f [1,0,0,0,0,1|1,0,0]=3 82 B13R1.587 CC(C)Oc1cccc(n1)C(C)C 5da5188337a426c1da2ae7af1ebf08e1 [1,0,0,0,0,1|1,0,0]=3 83 B13R1.587 CC(C)Oc1ccnc(n1)C(C)C 14efd070ddce9aa214cdb30c89c60718 [1,0,0,0,0,1|2,0,0]=4 84 B13R1.641 CC(C)Nc1cccc(c1Br)CO 87f9ab704b70550c0afbd0b87bd93f1a [1,0,0,0,0,1|2,0,0]=4 85 B13R1.641 CC(C)Nc1cccc(c1Cl)CO 1be52bc044562139e7e366b9f55f3045 [1,0,0,0,0,1|2,0,0]=4 86 B13R1.641 CC(C)Nc1cccc(c1F)CO d2ca37f8168734e28902c73dcff42b35 [1,0,0,0,0,1|2,0,0]=4 87 B13R1.641 CCc1cccc(c1Cl)OC(C)C 2abb1cbd7484af2676f562b3d978c000 [1,0,0,0,0,1|1,0,0]=3 88 B13R1.641 CCc1ccnc(c1Br)NC(C)C 7310faf84bd3ec0ec4d81de9ad548cb8 [1,0,0,0,0,1|2,0,0]=4 89 B13R1.641 CCn1cccc(c1=O)OC(C)C 877b49ce3671fe2e5853a1635add2c73 [1,0,0,0,0,1|1,0,1]=4 90 B13R1.641 COc1cccc(c1Br)OC(C)C 3122d34d9c7b0f061f5fa5080352017c [1,0,0,0,0,1|2,0,0]=4 91 B13R1.641 COc1cccc(c1C)OC(C)C 44d8a3e0c05301bc608e96e03005f5fe [1,0,0,0,0,1|2,0,0]=4 92 B13R1.641 COc1cccc(c1Cl)OC(C)C ea0f03c75ed1fd9c8c972fc07c042e4b [1,0,0,0,0,1|2,0,0]=4 93 B13R1.641 COc1cccc(c1F)OC(C)C 9cb233891f9706c2b09fd2968d0181d0 [1,0,0,0,0,1|2,0,0]=4 94 B13R1.641 COc1cccc(c1I)OC(C)C 3ff9d70f0c3a7ce3555a7fea208ada18 [1,0,0,0,0,1|2,0,0]=4 95 B13R1.641 CSc1cccc(c1F)OC(C)C 72c3de8065e861fa51b2f9e603f77a2f [1,0,0,0,0,1|2,0,0]=4 96 B13R1.641 Cc1c(cccc1NC(C)C)CO 53f54f30364da4cd80229800895b5dff [1,0,0,0,0,1|2,0,0]=4 97 B15R1.25137 CC(C)Nc1cccc(c1F)OC(C)C 981e6af828e8ab5a384173bb58725b2e [0,0,0,0,0,2|1,0,0]=3 98 B15R1.25137 CC(C)Oc1cccc(c1Cl)OC(C)C 3e8dc98105c1472b998a86643319a195 [0,0,0,0,0,2|1,0,0]=3 99 B15R1.25694 CC(=O)CNc1cccc(c1O)C(C)C f0d29433a26a578e4684cfd2a1a87fec [0,0,0,0,0,2|1,0,1]=4 100 B15R1.25694 CC(=O)c1cccc(c1O)NCC(C)C b389f9af67756b239933f5ef3c82ddf2 [0,0,0,0,0,2|1,0,1]=4 101 B15R1.25694 CC(C)CNc1cccc(c1F)C(C)C 9faad5489c6bc551f62b4ad1f2d25903 [0,0,0,0,0,2|1,0,0]=3 102 B15R1.25694 CC(C)CNc1cccn(c1=O)C(C)C 9065ac19f1295220562198868512011a [0,0,0,0,0,2|1,0,1]=4 103 B15R1.25694 CC(C)c1cccc(c1F)NC[C@H](C)O 934182b8b65f4e2d3ea1b488c800861f [0,0,0,0,0,2|2,0,0]=4 104 B15R1.25694 CC(O)CNc1cccc(c1F)C(C)C 342a720e6aea337d74e82061b99cc6c0 [0,0,0,0,0,2|2,0,0]=4