0 B17R2.204604 CC1(CC(=O)c2cc(ccc2O1)OCF)C 772e781ca631ec4b44080a9aa16baab4 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.204604 CCNc1ccc2c(c1)C(=O)CC(O2)(C)C c2acf11c706a52bdb28ddc4e15a10f37 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.204604 CCOc1ccc2c(c1)C(=O)CC(O2)(C)C 1998d7b64f885dedf109919659844fef [0,0,0,0,0,0|2,0,1]=3 3 B16R2.28229 CC1(C=Cc2cc(ccc2O1)NCF)C afa24d6a9b989eb803f842e48214c9ec [1,0,0,0,0,0|3,0,0]=4 4 B16R2.28229 CC1(C=Cc2cc(ccc2O1)NCO)C 52e594dd45bb2292bfbd9badb92865d5 [1,0,0,0,0,0|3,0,0]=4 5 B16R2.28229 CCNc1ccc2c(c1)C=CC(O2)(C)C d00d4dc0d4ce6c08af0dae878529fbe3 [1,0,0,0,0,0|2,0,0]=3 6 B16R2.107862 CCNc1ccc2[nH]c(=O)cc(c2c1)C 4a0a75a5e9b1dda1701f40332da6de2b [1,0,0,0,0,0|2,0,1]=4 7 B16R2.107862 CCOc1ccc2oc(=O)cc(c2c1)C 09cc09b42bbf8944366ee6218c1ecd13 [1,0,0,0,0,0|2,0,1]=4 8 B16R2.107862 CCOc1ccc2oc(cc(=O)c2c1)C 7e5b494ad66992f74dd599616e5e2830 [1,0,0,0,0,0|2,0,1]=4 9 B18R2.647275 CC1(CC(=O)c2cc(ccc2O1)OCCF)C 7885512c7506dc409f55fe9eff22fc10 [0,1,0,0,0,0|2,0,1]=4 10 B18R2.647275 CC1(CC(=O)c2cc(ccc2O1)OCCS)C 6e834e28c9c9168c87022757a6f8ca11 [0,1,0,0,0,0|2,0,1]=4 11 B18R2.647275 CC1=CC(Nc2c1cc(cc2)NCC#N)(C)C f5f9beab4b502addd731cc18708b8f61 [0,1,0,0,0,0|1,0,1]=3 12 B18R2.647275 CC1=CC(Nc2c1cc(cc2)NCCBr)(C)C 1c226b4fa1371311fc1ab89863b8bc65 [0,1,0,0,0,0|1,0,0]=2 13 B18R2.647275 CC1=CC(Nc2c1cc(cc2)NCCF)(C)C 36ef00df6642bc8ca006fd321dc974cc [0,1,0,0,0,0|1,0,0]=2 14 B18R2.647275 CC1=CC(Nc2c1cc(cc2)NCCI)(C)C 73a45b099b60aad96b341c8ea35e902a [0,1,0,0,0,0|1,0,0]=2 15 B18R2.647275 CC1=CC(Nc2c1cc(cc2)NCCO)(C)C 5924655807708a4da35f29d5daa51ee7 [0,1,0,0,0,0|1,0,0]=2 16 B18R2.647275 CC1=CC(Nc2c1cc(cc2)NCCS)(C)C 1e9b4451204717503b701f1fd00642da [0,1,0,0,0,0|1,0,0]=2 17 B18R2.647275 CC1CC(Nc2c1cc(cc2)NCCBr)(C)C b2ff2aa1961b43356375eb4d449ee629 [0,1,0,0,0,0|1,0,2]=4 18 B18R2.647275 CC1CC(Nc2c1cc(cc2)NCCF)(C)C c3cf151e9c739e1594e75497682ecb99 [0,1,0,0,0,0|1,0,2]=4 19 B18R2.647275 CC1CC(Nc2c1cc(cc2)NCCI)(C)C 800d0f815edab29fe95480e8e35d4207 [0,1,0,0,0,0|1,0,2]=4 20 B18R2.647275 CC1CC(Nc2c1cc(cc2)NCCO)(C)C 80bb0dbb5aaf896c2ded33cf6d500a1a [0,1,0,0,0,0|1,0,2]=4 21 B18R2.647275 CC1CC(Nc2c1cc(cc2)NCCS)(C)C c306e06d91697f6f7b44a530ae647253 [0,1,0,0,0,0|1,0,2]=4 22 B18R2.647275 CCCNc1ccc2c(c1)C(=CC(N2)(C)C)C 1a1eb26a3d9acae43f4bc4ce7cb110e2 [0,1,0,0,0,0|1,0,0]=2 23 B18R2.647275 CCCNc1ccc2c(c1)C(CC(N2)(C)C)C 7532f320a480ba6377f24d4c12da2c36 [0,1,0,0,0,0|1,0,2]=4 24 B18R2.647275 CCCOc1ccc2c(c1)C(=O)CC(O2)(C)C 399fc9781372aedb59dfdfd0be238c4d [0,1,0,0,0,0|2,0,1]=4 25 B18R2.647275 COCOc1ccc2c(c1)C(=O)CC(O2)(C)C cfbf422b33d86a0372864ad13ff6d9eb [0,1,0,0,0,0|2,0,1]=4 26 B18R2.647275 CSCOc1ccc2c(c1)C(=O)CC(O2)(C)C 0fc1c0a3f3e88f0bc1d77f6678d05515 [0,1,0,0,0,0|2,0,1]=4 27 B18R2.1271074 CC(C)Oc1ccc2c(c1)C(=O)CC(O2)(C)C f948185f20474701892636bcae96bad9 [0,1,0,0,0,0|2,0,1]=4 28 B18R2.1778350 CCN(C)c1ccc2c(c1)C(=CC(N2)(C)C)C 60f53ec13368e12714ee7d8ce12edce9 [0,1,0,0,0,0|1,0,0]=2 29 B18R2.1778350 CCN(C)c1ccc2c(c1)C(CC(N2)(C)C)C 654f2b3e79252f89cdb61731ea973e15 [0,1,0,0,0,0|1,0,2]=4 30 B16R1.3884 CCOc1ccc(cc1)NC(C)(C)CCO fff3b0b43715d92fb38e50f997c66f92 [0,0,1,0,0,0|1,0,2]=4 31 B16R1.3884 CCOc1ccc(cc1)NC(C)(C)COC e7e6ceb533197d73b495b2dbe4ee82a7 [0,0,1,0,0,0|1,0,1]=3 32 B16R1.3884 CCOc1ccc(cc1)NC(C)(C)CSC 8ae2a77fb173a6138fb7bf70e1ee2c73 [0,0,1,0,0,0|1,0,1]=3 33 B16R1.3884 CCOc1ccc(cn1)NC(C)(C)COC fefda45d1a39f683faa1cd3f9bc029c8 [0,0,1,0,0,0|2,0,1]=4 34 B16R1.3884 CCOc1ccc(cn1)NC(C)(C)CSC 09f627d4da5c45addd572a593495576b [0,0,1,0,0,0|2,0,1]=4 35 B16R1.3884 CCOc1ccc(nc1)NC(C)(C)COC 37125b8797867e7871e1f626a6426bac [0,0,1,0,0,0|2,0,1]=4 36 B16R1.3884 CCOc1ccc(nc1)NC(C)(C)CSC cd00589ab788dd4a5780bf5781cf6e1c [0,0,1,0,0,0|2,0,1]=4 37 B16R1.13210 CCOc1cccc(c1)C(=O)NC(C)(C)C c885da5b6f329af1d8f88da9c0ba48f4 [0,0,1,0,0,0|3,0,0]=4 38 B16R1.13210 CCOc1cccc(c1)C(=O)OC(C)(C)C 7ffbaabe7c5a6a742c113311c1b38a9a [0,0,1,0,0,0|3,0,0]=4 39 B16R1.13210 CCOc1cccc(c1)N(C)CC(C)(C)C 790408133a2132b7872f6d5c67e3c8a2 [0,0,1,0,0,0|2,0,1]=4 40 B16R1.13210 CCOc1cccc(c1)N(C)CC(C)(C)O 1695e30f407ecbc001a5655b5f7c83a2 [0,0,1,0,0,0|2,0,1]=4 41 B16R1.13490 CCOc1ccc(c(n1)CC)NC(C)(C)C 9729d5e36a3f64c5ade6ba3d092bb78e [0,0,1,0,0,0|1,0,2]=4 42 B16R1.13508 CCOc1ccc(c(c1)C(C)OC(C)C)F 8a05b98b6c1cd56258a37420d9b33274 [0,0,1,0,0,0|2,0,1]=4 43 B16R1.13508 CCOc1ccc(c(c1)N(C)CC(C)C)C 4235b42020795ef88e76152745f4dd57 [0,0,1,0,0,0|2,0,1]=4 44 B16R1.13508 CCOc1ccc(c(c1)N(C)CC(C)C)F 576d07da1de19f72e882ce27c2150dc8 [0,0,1,0,0,0|2,0,1]=4 45 B16R1.13525 CCCc1ccc(c(c1)C(=O)C)OC(C)C f2fb8e78baeda32b752783c1a00c6daf [0,0,1,0,0,0|3,0,0]=4 46 B16R1.13525 CCOc1ccc(c(c1)C(=O)N)NC(C)C 0d99ca17f6c6e3f2019c7c20f25e60d0 [0,0,1,0,0,0|2,0,0]=3 47 B16R1.13525 CCOc1ccc(c(c1)C(=O)O)OC(C)C f481d36da5f15025bcf3caceccbcd1c3 [0,0,1,0,0,0|3,0,0]=4 48 B16R1.13525 CCOc1ccc(c(c1)[N+](=O)[O-])NC(C)C 0a6d71ba8d74bbcd537ae159eb88b00b [0,0,1,0,0,0|3,0,0]=4 49 B16R2.28247 CCNc1ccc2c(c1)C(=O)C(O2)(C)C 3257de5288517fa15b3cad6ed629516d [0,0,0,0,1,0|3,0,0]=4 50 B16R2.28430 CCNc1ccc2c(c1)C(=O)NC2(C)C 6e5fa4650c668efc7f04a4468333b616 [0,0,0,0,1,0|3,0,0]=4 51 B15R1.3514 CCOc1ccc(cc1)NC(C)(C)CO 990c63fcb65d31f40e2f0c0f86416728 [1,0,1,0,0,0|1,0,1]=4 52 B15R1.5643 C/C=C/C(=O)Nc1ccc(cc1)OCC 2caaa1b5db29f533ee3817e9d64f10e9 [1,0,1,0,0,0|1,0,1]=4 53 B15R1.5643 CCOc1ccc(cc1)NC(C)COC 2fa4f2d2cd2998a506fc1623e04889ce [1,0,1,0,0,0|1,0,1]=4 54 B15R1.33082 CCc1ccc(cc1)NC(C)(C)CSC 0d16e62ae72b55c2e3aaa4ef446d014d [1,0,1,0,0,0|1,0,1]=4 55 B15R1.566 CCOc1cccc(c1)C(=O)OC(C)C 14f0cca84cae26220bc286960a0e045b [1,0,1,0,0,0|2,0,0]=4 56 B15R1.566 CCOc1cccc(c1)C(C)NC(C)C 2e43f39d1ad9ad82cbdc4c7b120dde09 [1,0,1,0,0,0|1,0,1]=4 57 B15R1.566 CCOc1cccc(c1)N(C)CC(C)C 2fc76600c6285d182fec96e6f5413f6e [1,0,1,0,0,0|1,0,1]=4 58 B15R1.566 CCOc1cccc(c1)[C@@H](C)NC(C)C 4162a8758d6f668dd7776df5f7cf8609 [1,0,1,0,0,0|1,0,1]=4 59 B15R1.594 CCOc1ccc(c(c1)C#N)NC(C)C b4599eca9596bbc2da7558640a92aeb5 [1,0,1,0,0,0|1,0,1]=4 60 B15R1.594 CCOc1ccc(c(c1)C=O)OC(C)C d5d52dde1423b7aab455654a7ae7d7d6 [1,0,1,0,0,0|2,0,0]=4 61 B15R1.1901 C=Cc1cc(ccc1NC(C)(C)C)OC ff1927b1c7dbc3811d167846cff181a8 [1,0,1,0,0,0|0,0,2]=4 62 B15R1.1901 COc1ccc(c(c1)C=O)NC(C)(C)C 4d06fcd02615813ea009a06a0cb7eb89 [1,0,1,0,0,0|1,0,1]=4 63 B15R1.1927 CCc1ccc(c(c1)C(=O)C)OC(C)C 276027d89c309617dc1c472793ce4447 [1,0,1,0,0,0|2,0,0]=4 64 B15R1.1927 CCc1ccc(c(c1)C(=O)N)NC(C)C 01d11ec45555dac9398efcf1fb7f4c9d [1,0,1,0,0,0|2,0,0]=4 65 B15R1.1927 CCc1ccc(c(c1)C(=O)O)NC(C)C 82b165258c27ea039b3e16fe2546baca [1,0,1,0,0,0|2,0,0]=4 66 B15R1.1927 COc1ccc(c(c1)C(=O)C)NC(C)C 8645d80c44130d45baff3978b1e25588 [1,0,1,0,0,0|1,0,0]=3 67 B15R1.1927 COc1ccc(c(c1)C(=O)C)OC(C)C 47ce5653c3ec195cb9f090050e8fd763 [1,0,1,0,0,0|2,0,0]=4 68 B15R1.1927 COc1ccc(c(c1)C(=O)N)NC(C)C 10e90b38a56e0274bfa8759b0a3100b0 [1,0,1,0,0,0|2,0,0]=4 69 B15R1.1927 COc1ccc(c(c1)C(=O)O)NC(C)C 166f804ae089a2c1d51fe6b8e5719784 [1,0,1,0,0,0|2,0,0]=4 70 B15R1.1927 COc1ccc(c(c1)C(C)C)NC(C)C 933d876da83a022434fb0e6299f45b8d [1,0,1,0,0,0|0,0,2]=4 71 B15R1.9648 CCNc1ccc(cc1C(=O)N)OCC 0e129e94caf617db6c29e1689cbdd780 [1,0,1,0,0,0|2,0,0]=4 72 B15R2.10252 CCOc1ccc2cc(ccc2c1)C f7c82c6dbe19b262104b00e4424a2e5d [2,0,0,0,0,0|1,0,1]=4 73 B15R2.10252 CCOc1ccc2nc(ccc2c1)C 39add880f86f23d9a229151c88177efb [2,0,0,0,0,0|0,0,2]=4 74 B15R2.1290 CCOc1ccc2cccc(c2c1)C c22783c823c3f07ac0b0041e92125486 [2,0,0,0,0,0|1,0,1]=4 75 B15R2.1290 CCOc1ccc2nccc(c2c1)C c0955c9d4b67bfbbf0a343f2d690c0bb [2,0,0,0,0,0|0,0,2]=4 76 B17R1.4122 CCCc1ccc(cc1)NC(C)(C)CC(=O)C 8e7e3d16ccb2022e889304b4f8914ee0 [0,1,1,0,0,0|1,0,1]=4 77 B17R1.4122 CCOc1ccc(cc1)NC(C)(C)CC(=O)C 3344069551c31edfc4e1c70d86dd022e [0,1,1,0,0,0|0,0,1]=3 78 B17R1.4122 CCOc1ccc(cc1)NC(C)(C)CC(=O)N 488b2fbd0cdc07960f6f34b6bfc989a3 [0,1,1,0,0,0|1,0,1]=4 79 B17R1.4122 CCOc1ccc(cc1)NC(C)(C)CC(=O)O 43239e3dac1ffeb2215e1a5d1f03e5c7 [0,1,1,0,0,0|1,0,1]=4 80 B17R1.4122 CCOc1ccc(cn1)NC(C)(C)CC(=O)C 5c43e31cb53f0c03bd9565d5c31255ba [0,1,1,0,0,0|1,0,1]=4 81 B17R1.4122 CCOc1ccc(nc1)NC(C)(C)CC(=O)C 3ed5b7a6341e8ba7a7011752ec8db11b [0,1,1,0,0,0|1,0,1]=4 82 B17R1.4122 CCSc1ccc(cc1)NC(C)(C)CC(=O)C c16069f35b212ecebe473a2330a2d2ff [0,1,1,0,0,0|0,1,1]=4 83 B17R1.4123 CCCc1ccc(cc1)NC(C)(C)C(=O)OC 994cd3e001450f0a2e2e4eed7727da48 [0,1,1,0,0,0|2,0,0]=4 84 B17R1.4123 CCOc1ccc(cc1)NC(C)(C)C(=O)OC 1ee9885a539e5ccc69d0233b0c4e3982 [0,1,1,0,0,0|1,0,0]=3 85 B17R1.4123 CCOc1ccc(cn1)NC(C)(C)C(=O)OC eeb292828cdc0a4c8ba771f38fc1b62c [0,1,1,0,0,0|2,0,0]=4 86 B17R1.4123 CCOc1ccc(nc1)NC(C)(C)C(=O)OC acfb6ce03c83048550d962c5d52bd694 [0,1,1,0,0,0|2,0,0]=4 87 B17R1.4123 CCSc1ccc(cc1)NC(C)(C)C(=O)OC 97a129fc65db94177f445edd7bbbbe21 [0,1,1,0,0,0|1,1,0]=4 88 B17R1.7884 CCCOc1ccc(cc1)NC(C)(C)COC c066b7c0d1edc598fc0d4b47153bff78 [0,1,1,0,0,0|1,0,1]=4 89 B17R1.7884 CCCOc1ccc(cc1)NC(C)(C)CSC 34f3e79a4b644f0dcaffcb8d56836969 [0,1,1,0,0,0|1,0,1]=4 90 B17R1.7884 COCC(C)(C)Nc1ccc(cc1)OCCF 6bd788c528a9504e14d15c2cdeec7d72 [0,1,1,0,0,0|1,0,1]=4 91 B17R1.7884 COCC(C)(C)Nc1ccc(cc1)OCCO 29588a8f6632909855a3f2ff6b7e2182 [0,1,1,0,0,0|1,0,1]=4 92 B17R1.7884 CSCC(C)(C)Nc1ccc(cc1)OCCF eff83d4f5433ec47122e7b02d367b201 [0,1,1,0,0,0|1,0,1]=4 93 B17R1.7884 CSCC(C)(C)Nc1ccc(cc1)OCCO 2f5c35dd656b5d0492ea9c4811e63d18 [0,1,1,0,0,0|1,0,1]=4 94 B17R1.34527 CCCC(C)(CO)Nc1ccc(cc1)OCC 68a76e97b82550e81edd4d143f832e53 [0,1,1,0,0,0|0,0,2]=4 95 B17R1.63044 CCOc1ccc(cc1)N(C)C(C)(C)COC 82d0e93fad5bbaa0b76d0dd8d09cd2c0 [0,1,1,0,0,0|1,0,1]=4 96 B17R1.63047 CCOc1ccc(cc1C)NC(C)(C)COC 4a7be96843f025b1a69b25ed5fbc2d0e [0,1,1,0,0,0|1,0,1]=4 97 B17R1.63047 CCOc1ccc(cc1C)NC(C)(C)CSC af55feb7c317429b3d3d4550fc3c59e1 [0,1,1,0,0,0|1,0,1]=4 98 B17R1.63047 CCOc1ccc(cc1F)NC(C)(C)COC 79bd0f1ac5c6b71a63f3bb850d9f15c9 [0,1,1,0,0,0|1,0,1]=4 99 B17R1.63047 CCOc1ccc(cc1F)NC(C)(C)CSC e8bf6980db4510b88dd551a6f5fa456c [0,1,1,0,0,0|1,0,1]=4 100 B17R1.63047 CCOc1ccc(cc1O)NC(C)(C)CSC dd4e2c29cfbf3eae74435bfc124e42fb [0,1,1,0,0,0|1,0,1]=4 101 B17R1.114215 CCOc1ccc(c(c1)F)NC(C)(C)COC cf1af964e5993343ce389f7bd00031df [0,1,1,0,0,0|1,0,1]=4 102 B17R1.146980 CCOc1ccc(cc1)NC(C)(C)CCCO b5f8ce74d3c50c8fc1dd008c247275a3 [0,1,1,0,0,0|0,0,2]=4 103 B17R1.146980 CCOc1ccc(cc1)NC(C)(C)CCSC b6f92b2bd64094b37a3754bfad1e2c81 [0,1,1,0,0,0|0,0,2]=4 104 B17R1.146980 CCOc1ccc(cc1)NC(C)(C)CSCC 4b86be827e7f2b169e7f0432548475c9 [0,1,1,0,0,0|0,0,2]=4 105 B17R1.111630 CCOc1ccc(c(c1F)C=O)NC(C)(C)C 929bc0ab356f4ee8afc0fe9ccd3c1b20 [0,1,1,0,0,0|1,0,1]=4 106 B17R1.111630 CCOc1ccc(c(c1F)SC)NC(C)(C)C 4e3d6f05a51ed6229f08271b4b9941af [0,1,1,0,0,0|1,0,1]=4 107 B17R1.18232 CCOc1ccc(c(c1)C(=O)OC)OC(C)C 69b5d2cd529cf4cbe2309531655f3ad8 [0,1,1,0,0,0|2,0,0]=4 108 B17R1.18279 CCOc1ccc(c(c1)C(=O)N)NC(C)CC 270bf838b401aca2f1a336124f865026 [0,1,1,0,0,0|2,0,0]=4 109 B17R1.18279 CCOc1ccc(c(c1)C(=O)N)NC(C)CO 2b04765d4aa3a55977f4edcefb881a2e [0,1,1,0,0,0|2,0,0]=4 110 B17R1.18279 CCOc1ccc(c(c1)C(=O)N)N[C@@H](C)CO 4a985abb417f0228eef992608ce3b4f1 [0,1,1,0,0,0|2,0,0]=4 111 B17R1.18279 CCOc1ccc(c(c1)C(=O)N)N[C@H](C)CO c401d3e6b672560abd60ea4736565b21 [0,1,1,0,0,0|2,0,0]=4 112 B17R2.58036 CCN(C)c1ccc2c(c1)C=CC(N2)(C)C 7e24b2b2d80e186708c673401a61d51e [1,1,0,0,0,0|1,0,0]=3 113 B17R2.59608 CC1(C=Cc2cc(ccc2N1)NCC#N)C df727297ea88858d175354c6e65fb465 [1,1,0,0,0,0|1,0,1]=4 114 B17R2.59608 CC1(C=Cc2cc(ccc2N1)NCCBr)C a78fd38c73228dc28ad6dc8225449edc [1,1,0,0,0,0|1,0,0]=3 115 B17R2.59608 CC1(C=Cc2cc(ccc2N1)NCCI)C bfa19014216ca071e2df1e8c21090828 [1,1,0,0,0,0|1,0,0]=3 116 B17R2.59608 CC1(C=Cc2cc(ccc2N1)NCCO)C 48753acb4daf418355664395e7d4ac0e [1,1,0,0,0,0|1,0,0]=3 117 B17R2.59608 CC1(C=Cc2cc(ccc2N1)NCCS)C 09de9b17fdc1f564806d6dc3615e6cad [1,1,0,0,0,0|1,0,0]=3 118 B17R2.59608 CC1(C=Cc2cc(ccc2O1)NCCF)C da56f3f34c6adc71cf2ef2ca006b6fd8 [1,1,0,0,0,0|2,0,0]=4 119 B17R2.59608 CC1(C=Cc2cc(ccc2O1)NCCO)C 98ea44785dd455aaae702ecd1c467682 [1,1,0,0,0,0|2,0,0]=4 120 B17R2.59608 CC1(C=Cc2cc(ccc2O1)NCCS)C bc0aa75c69246478ef66ba2f7cfc0ce8 [1,1,0,0,0,0|2,0,0]=4 121 B17R2.59608 CCCNc1ccc2c(c1)C=CC(N2)(C)C 45a04b2b053e4d79f0da3df88537a8a2 [1,1,0,0,0,0|1,0,0]=3 122 B17R2.59608 CCCNc1ccc2c(c1)C=CC(O2)(C)C 9325206869483c55e3959558d7a3afee [1,1,0,0,0,0|2,0,0]=4 123 B17R2.59608 COCNc1ccc2c(c1)C=CC(O2)(C)C 379755f1ab2d0ab7c81a1eeba33fef32 [1,1,0,0,0,0|2,0,0]=4 124 B17R2.59608 CSCNc1ccc2c(c1)C=CC(O2)(C)C d4cbd943e56579ea3e63f7e12efb401b [1,1,0,0,0,0|2,0,0]=4 125 B17R2.60527 CC(C)Nc1ccc2c(c1)C=CC(O2)(C)C 24ada8c5be6c05ade3c1a8a11881d985 [1,1,0,0,0,0|2,0,0]=4 126 B17R2.304750 CCNc1ccc2c(c1)N(C(=O)C2(C)C)C 44cb3582187b79468b1fb01e778249f6 [0,1,0,0,1,0|2,0,0]=4 127 B17R2.304750 CCOc1ccc2c(c1)N(C(=O)C2(C)C)C da904573ff15c2b5eb8b0c727ad057f3 [0,1,0,0,1,0|1,0,0]=3 128 B17R2.304750 CN1C(=O)C(c2c1cc(cc2)OCF)(C)C f01efaf5d4c2f8a543e5fa26733ba317 [0,1,0,0,1,0|2,0,0]=4 129 B19R2.1901292 C=CC(C)Nc1ccc2c(c1)C(=CC(N2)(C)C)C b44ca98166429b9254c9cf35e79c7a8a [0,2,0,0,0,0|1,0,0]=3 130 B19R2.1901292 CC1=CC(Nc2c1cc(cc2)NC(C)C#N)(C)C d6e0f45d1531c587e238c4e2308a2dee [0,2,0,0,0,0|1,0,0]=3 131 B19R2.1901292 CC1=CC(Nc2c1cc(cc2)NC(C)CO)(C)C 8b0a205f6a34633a983da372afae4ae3 [0,2,0,0,0,0|1,0,0]=3 132 B19R2.1901292 CC1=CC(Nc2c1cc(cc2)N[C@@H](C)CO)(C)C b80011ab3d5830bfa104f4288f519032 [0,2,0,0,0,0|1,0,0]=3 133 B19R2.1901292 CC1=CC(Nc2c1cc(cc2)N[C@H](C)CO)(C)C 472991ca6460bb6d71adf6e6d32a826d [0,2,0,0,0,0|1,0,0]=3 134 B19R2.2755437 C=CCCNc1ccc2c(c1)C(=CC(N2)(C)C)C 3019c8f7f4f2b09aa7c00ca5c14e8600 [0,2,0,0,0,0|1,0,0]=3 135 B19R2.2755437 CC1=CC(Nc2c1cc(cc2)NCCC#N)(C)C 9411d167d411ce03024dbea2a98999a7 [0,2,0,0,0,0|1,0,0]=3 136 B19R2.2755437 CC1=CC(Nc2c1cc(cc2)NCCCCl)(C)C 343c4b0e178d71ab75e8716186fea4a0 [0,2,0,0,0,0|1,0,0]=3 137 B19R2.2755437 CC1=CC(Nc2c1cc(cc2)NCCCO)(C)C c18195966ad5eaee50f9f62ad927affd [0,2,0,0,0,0|1,0,0]=3 138 B19R2.2755437 CC1=CC(Nc2c1cc(cc2)NCCON)(C)C 1075b2570a1eefce8506b440353c564a [0,2,0,0,0,0|1,0,0]=3 139 B19R2.2755437 CC=CCNc1ccc2c(c1)C(=CC(N2)(C)C)C e2682835136d064f562248c51ddb08a7 [0,2,0,0,0,0|1,0,0]=3 140 B19R2.2755437 CCCCNc1ccc2c(c1)C(=CC(N2)(C)C)C 5dff138d1bd9f3de9c263bae825c610e [0,2,0,0,0,0|1,0,0]=3 141 B19R2.2755437 COCCNc1ccc2c(c1)C(=CC(N2)(C)C)C ec127eb27d2e7112f4d8fad4bf93db49 [0,2,0,0,0,0|1,0,0]=3 142 B19R2.2755437 CSCCNc1ccc2c(c1)C(=CC(N2)(C)C)C faf4ecf12be36a0c3d9eec9039aa1079 [0,2,0,0,0,0|1,0,0]=3 143 B19R2.5785896 C=C(Br)CNc1ccc2c(c1)C(=CC(N2)(C)C)C d2201f2919be224e8ab4c839d0e14fc9 [0,2,0,0,0,0|1,0,1]=4 144 B19R2.5785896 C=C(C)CNc1ccc2c(c1)C(=CC(N2)(C)C)C 39b9844be71c632b5788771bf13cfc13 [0,2,0,0,0,0|1,0,0]=3 145 B19R2.5785896 CC(=O)CNc1ccc2c(c1)C(=CC(N2)(C)C)C cd88a26a58cf9ddcdcf66a1424bf14a8 [0,2,0,0,0,0|1,0,0]=3 146 B19R2.5785896 CC1=CC(Nc2c1cc(cc2)NCC(=O)N)(C)C 61b54e828d32b43284158df58f0c5d21 [0,2,0,0,0,0|1,0,1]=4 147 B19R2.5785896 CC1=CC(Nc2c1cc(cc2)NCC(C)C)(C)C ea9e5e05c14359b0769e439a3a61d7bd [0,2,0,0,0,0|1,0,0]=3 148 B19R2.5785896 CC1=CC(Nc2c1cc(cc2)NCC(C)O)(C)C addbc7c52977dafa7cea3b885c7e344d [0,2,0,0,0,0|1,0,0]=3 149 B19R2.5785896 CC1=CC(Nc2c1cc(cc2)NCC(F)F)(C)C 2bdea9db9019ee0aa821497121dd5ee8 [0,2,0,0,0,0|1,0,0]=3 150 B19R2.5785896 CC1=CC(Nc2c1cc(cc2)NC[C@@H](C)O)(C)C 021af819602f3b3439eb8393b55dcdae [0,2,0,0,0,0|1,0,0]=3 151 B19R2.5785896 CC1=CC(Nc2c1cc(cc2)NC[C@H](C)O)(C)C a349a4ffd245e3e47a259430477f3820 [0,2,0,0,0,0|1,0,0]=3 152 B19R2.6669396 C=CCN(C)c1ccc2c(c1)C(=CC(N2)(C)C)C 1412e4e5d5eb6c3d000f5d4f508657d3 [0,2,0,0,0,0|1,0,1]=4 153 B19R2.6669396 CC1=CC(Nc2c1cc(cc2)N(C)CC#N)(C)C 1995b554ffda944a5cb3fa4bed1686e2 [0,2,0,0,0,0|1,0,1]=4 154 B19R2.6669396 CC1=CC(Nc2c1cc(cc2)N(C)CCF)(C)C 1a7c2f47758e948b2671365f24f7ebe3 [0,2,0,0,0,0|1,0,0]=3 155 B19R2.6669396 CC1=CC(Nc2c1cc(cc2)N(C)CCO)(C)C 6895bed141ae6c006bf1f68a915f7d2e [0,2,0,0,0,0|1,0,0]=3 156 B19R2.6669396 CCCN(C)c1ccc2c(c1)C(=CC(N2)(C)C)C 3ff40716ace40f7d0714e2588fe3a69a [0,2,0,0,0,0|1,0,0]=3 157 B19R2.5788387 CC1=CC(Nc2c1cc(cc2)NC(C)(C)C)(C)C 65171f270076d9c796ce9f85582414e3 [0,2,0,0,0,0|1,0,0]=3 158 B19R2.120348 CCOc1ccc2c(c1)C(=CC(N2C=O)(C)C)C 3ccbe10fcf4954e3a16b003133d524f1 [0,2,0,0,0,0|0,0,0]=2 159 B19R2.120348 CCOc1ccc2c(c1)C(=CC(N2CC)(C)C)C ba2022c50c5fed5423dd04b4ec06e806 [0,2,0,0,0,0|0,0,0]=2 160 B19R2.120348 CCOc1ccc2c(c1)C(=CC(N2CF)(C)C)C 38a6eb3e5d55f5953d87d8638a673190 [0,2,0,0,0,0|0,0,0]=2 161 B19R2.120348 CCOc1ccc2c(c1)C(=CC(N2CO)(C)C)C 73922d480a0c62f9feeb9f56a4a26f1b [0,2,0,0,0,0|0,0,0]=2 162 B19R2.120348 CCOc1ccc2c(c1)C(=O)NC(N2CC)(C)C c4545931eea6a1748ba9be5309be5da0 [0,2,0,0,0,0|2,0,0]=4 163 B19R2.120348 CCOc1ccc2c(c1)C(=O)NC(N2CF)(C)C 4f9b1781a9e57a5685973c8f4febdab1 [0,2,0,0,0,0|2,0,0]=4 164 B19R2.120348 CCOc1ccc2c(c1)C(=O)NC(N2CO)(C)C 698056e153be270cca60c8373adfa58b [0,2,0,0,0,0|2,0,0]=4 165 B19R2.120348 CCOc1ccc2c(c1)C(CC(N2C=O)(C)C)C 3c74992d41748ca50f0d88ad3dd05960 [0,2,0,0,0,0|0,0,2]=4 166 B19R2.120348 CCOc1ccc2c(c1)C(CC(N2CC)(C)C)C 2fa0b07c71494038997991dc04c5975a [0,2,0,0,0,0|0,0,2]=4 167 B19R2.120348 CCOc1ccc2c(c1)C(CC(N2CF)(C)C)C a5f9396eb31ed2faa68786b677892768 [0,2,0,0,0,0|0,0,2]=4 168 B19R2.120348 CCOc1ccc2c(c1)C(CC(N2CO)(C)C)C e5e193a8b9319b6ffff98a24a350451b [0,2,0,0,0,0|0,0,2]=4 169 B17R2.8742 CCOc1ccc(cc1)NC2(CC=CC2)C 1fa391fb033c30c7debf05924a1b658c [0,0,1,1,0,0|0,0,2]=4 170 B17R2.79587 CCOc1ccc(cc1)NC2(CN(C2)C)C b814ee6344c94dfce22c1e78c024e9d7 [0,0,1,1,0,0|1,0,1]=4 171 B17R2.311404 COCC(C)(C)Nc1ccc2c(c1)CCO2 27fe56b289ac228caf0475b14b913d0b [0,0,1,1,0,0|1,0,1]=4 172 B17R2.47690 CCOc1ccc(c(c1)C=O)NC2(CC2)C 577a8c8598b5823fcca842fdecb89103 [0,0,1,1,0,0|1,0,1]=4 173 B17R2.46682 CCNc1ccc2[nH]c(c(c2c1)C)C(C)C a735acb84a4f52e2dce97264e0c4475d [0,0,1,1,0,0|1,0,0]=3 174 B17R2.46682 Cc1c([nH]c2c1cc(cc2)NCF)C(C)C da43536c6b042a6fe8ef70df1fbb9c84 [0,0,1,1,0,0|2,0,0]=4 175 B17R2.46682 Cc1c([nH]c2c1cc(cc2)NCO)C(C)C 1bf035bc02c8ab1b92cd8cea21841017 [0,0,1,1,0,0|2,0,0]=4 176 B17R3.490613 CCOc1ccc2c(c1)C(=O)NC23CC3 026d5e22d469616ce63d0a2ee0a3b5f9 [0,0,0,1,1,0|2,0,0]=4 177 B19R3.10119041 CC1=CC(Nc2c1cc(cc2)NC3CC3)(C)C 183b557ff3e6b1bac2f57d15f2366fc6 [0,1,0,1,0,0|1,0,0]=3 178 B15R1.9454 CCOc1cccc(c1)N(C)C(C)(C)C 626dba8a04d241fed38f7d231b7b5ca9 [0,0,1,0,1,0|2,0,0]=4 179 B15R1.9655 CCOc1ccc(c(c1)N(C)C(C)C)C 9b83b5eecda85dc5cdb277a18c481f1e [0,0,1,0,1,0|2,0,0]=4 180 B17R1.63177 CCOc1ccc(cc1)CNC(C)(C)COC 986ef72ef02787a440ae633e15712166 [0,0,1,0,0,1|1,0,1]=4 181 B17R1.63177 CCOc1ccc(cc1)CNC(C)(C)CSC 37e0cddb9089c2075c503cb919b858ab [0,0,1,0,0,1|1,0,1]=4 182 B17R1.18234 CCOc1ccc(c(c1)C(=O)N)NCC(C)C 43308d857b02132ea787579c0d96c9fa [0,0,1,0,0,1|2,0,0]=4 183 B17R2.47107 CCOc1ccc2c(c1)NC(=O)CC2(C)C 9667ae33cf096a121dd39ef0300477cc [0,0,0,0,1,1|1,0,1]=4