smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC(=C(N=C3)Cl)Br | 60E9B411B428F07B_45ACC73F42F97EAB_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)C(N(C4=C3C=CC=C4)C)=O)=O | 318C4B28D3917C46_B196F9F5525F12C6_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@]34CCN[C@H]3CCCC4)=O | 9BBC1B238C903DF5_38498A7B725BCA76_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C3=C(C)C=CC=C3)N=NS4)=O | 6B042EA771623092_7E904AC923D1EC7D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CNC3CCCNC3)=O | 83F85A7C3BB93699_3483F05EFE76F8ED_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN[C@H]3CCNC3)=O | 7EC0988B42F88C27_DAC270A43F395848_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CNC3CCNC3)=O | BBD978567DA5C19D_79DE3CF5315D7E1F_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]4C[C@H](NC3CCNCC3)C4)=O | 95A1F4DDEC83D012_815DBF40BAF997E2_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]4C[C@H](NC3CCCNC3)C4)=O | B6AA3052BB72FB57_0B8DB849652DD4DF_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(C3CCCCCC3)N4CCCCC4 | DAB09E2ECAE383A8_688091DDFCFD0963_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC(CCC)C=C)=O | AFAA5081F77B6CD8_42A3B6DEAF2ACE6E_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C3=CC=N[N]3C)[NH]N=N4)=O | DB91C76C56B67210_1568DA6B897367EC_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(CN[C@H]3CCNC3)S4)=O | CC6A0A25745E5815_C9C0B09E776580A7_6038_DP | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=CC3=C(C(=C(C=C3)Cl)F)O4 | BEF77BBEC5C15005_96D9F410E838E174_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=N[N]3C)C4CCCC4)=O | FFB84335659C58B6_2FB99FB0F39D66EB_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCCNC3)C#N)=O | 03A5692B81748216_338ECE735CCE5DB9_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=COC4=C3C=CC=C4F | B86088EF4026E335_6A5ECCFE31DAE9F8_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=COC4=C3C=C(C)C=C4)=O | 4E0205C99A12E10E_524BA21D3CED5394_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=COC4=C3C=C(C=C4F)F | 2BC4659FAD0B85BD_40F914CFD776A75E_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=COC4=C3C=CC(=C4)C)=O | 63F7EC317222D01F_DDB7CBFBA7ADAD57_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=CC4=C(C=C3)SC=C4 | 6D2FF70BF2A457B1_6AD0AC6867BF20B8_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C6(N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)CC6)=O | 5FBB5CFA22265815_8F25A394F85565AE_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCN(CC3)C4=CC(=O)NC=N4 | 6CE801508604E0F9_D7BD61FB524EC0CC_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCCN(C3)C4=CC(=O)NC=N4 | DF0A97138506AF0F_70F2267D99D57AFC_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@H](C)N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | 0AC68B9CF49DA554_9F93637BCC9E28E8_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CC)N(CC)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | 5B301796D410A052_8120916A463AE6B6_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)OC(=C3)CN(C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 3F22A28CE89142E4_9B9B49FF43640948_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)COCC3CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | A82CA19FAB944FFE_89D89DE57B752785_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CSC3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | E99C5F3D69EF4B44_01263852EDA04B24_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4N(CC3=NN=C(C)[N]3C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 7E948C05CF17A117_BAE8C4BAFEFA2F9A_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CCCC(C)(C)C3)=O | 67F16ECD025E3DAA_F275D060D7136BC8_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)[S](CC4)(=O)=O | 10742D5E045C5731_1A57A607E4838BA8_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(COC)CCCCO3)=O | 756FF7B04299BA2A_DDC8849F82A8C10B_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCC3CNC3)=O | 6254605ADD9026C7_95BC81A0B2EE3ACB_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(OC)C3=CC(=CC(=C3)F)F)=O | 3760189925C9940E_A63A2CEBAC4814CB_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[N](N=N3)C4CCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 707F4B66A180E73B_6B968A5C0C932D67_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC4=C3CCN(CC3=CC=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | EB132B2C650860A4_35888203237FE509_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)OCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 1917D9BF1D318D53_5454DD65EF8876DE_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)[N]7C=CC=N7 | DC581F7EEF5369FF_F7957ABB69DC550C_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=C[N](C)N=N3)=O | 89671C4051C530A6_256BDD1AC09BDFE9_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=NC=N[N]3C)=O | 0A6D30A9D370BE26_B245D3AB0F902C3B_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CN(C[C@H]3C4=CN=C[N]4C)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | ADE20060585F6787_BACB8C90041DC1D5_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=N[N](C3=CC(=CC(=C3)OC)F)C=C4)=O | 4FDE36A7DBB99605_402EA617DABEDACE_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[N](N=N3)C4CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 3BBE0979B76159B2_9FDF70455686C42C_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C7=C[N](CC3CCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)N=N7 | 865F14C4959F40E0_E3FAFDFABBF168B0_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)[N](N=N3)C4CCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 5371FDCE83D47360_4D43552D01A5D303_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC(CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C7=CC=CC=C7 | 31B2512C09AF5052_1B2C28F4AA306A62_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CSC(=N3)CC4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | D491DF21191D0367_C2914DABF6948D36_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=C(S3)CC4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 3F8D2F383597BB81_E2648374BE2B7E69_6038_UN | 46 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C(O)=O)CCCC3)=O | 0FE6FA8C634B835C_23A9908F65EE064B_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](C)N=C3C4CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | C67C0C0BD7B23F10_16E40E0B83F0525B_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[N](N=C3)C4CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | FA744AB618E969BF_E44709E96EC66454_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(CC34CCC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 23EFC4B765F0FA0F_FFD78CBA445AF00C_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3CN(CCC3=N[NH]4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | F3E4E4B8427F90E7_E883DF892F1A969C_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[N](N=N3)C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 75111068A799E492_23F866C1AA57BE59_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC34CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 6C6D61C5805E46F3_E22140B34BADEF0F_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)ONC(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | 6078BF1C33382122_962BC31C5C139D08_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC4OCC3(CNC3)C4)=O | 62D4852251E1FE50_B7DD276B14404375_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C(C)O3)=O | B4C11AE0AB9C7D23_1310E2C817292E56_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCOCCO)=O | A3E98C1CE13A9769_5C8462B30B43D2C2_6038_DP | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(COC3)C#N | 6BC91E3ADE5B39E6_A245F53060A3F81D_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC3=CC=C(C(OC)=O)[NH]3)=O | 8D2A014BB99E0BF3_A2F48C705DEC53F6_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)(C)[N]3C=C(N=N3)C4=CC=NC=C4)=O | 55E20A933E0F9C9A_75D2FCBA5AAC0AF3_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)N=C(O4)C5CCCO5 | 14EA4D89A3049B7B_1C877E95729404D0_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@H]3C[C@@H](C)CC(C3)(C)C)=O | 9AEB0119F52C6F3C_8E0DB10250DD51D6_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C(OC)=O)CCNC3)=O | 7743C71ACEAB6712_67479125E8BD50C3_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=NC=C3)C(N)=O)=O | 290CC3F93127D11D_7F13AE9EB54F586C_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C6(N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)CCOC6)=O | F388B384596BEFED_356B0C2DA2C3C2BE_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C#CC3CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 40D24C1D750A365A_1017CDCDB4B2A690_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C34CCC(CC3)N(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 0C67F3DE50447411_5017B3C38AFC513C_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC4CCC(C3)N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 3C74E244A305E5B5_C0D7E1CEB0021FCD_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(CC34COC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 301290B854E9E33C_D5EBA8E302676E94_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C[C@H](C)N([C@@H](C3)C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | A015FBD5C4212415_659D1B880A4C3DAF_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3N(CCC(C)(C)C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 9C7D953C2BA72D8B_30C2900AEBEDC57D_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=CC3=C(C=CC=N3)[NH]4 | 95A38D26CA7C4944_6C2C94F9913D46F6_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=N3)C(C)(C)C)=O | 56CDEDABCF45B731_34F85E02E0667EDF_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)(C)CF)=O | A51BE93D07ADB2FF_B686E3A36170BDE0_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCCNC3=O)=O | BC9DAC23691A4338_01DE449C2DF8FD70_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=N[N]3C4=CC=CC=C4)C)=O | C19AFD7A7139B14B_FF26AA32D05809C3_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC(C)(C)OCC3)=O | 7D60AEB5D4AEC668_395FF3FD2D453C4D_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)(C)C#C)=O | B38F5EFB804A4BC7_3EB8DF49D3A034ED_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[N]3C=NN=N3 | 3CC377314E6209C9_9AE9BEFE025AD185_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CC[S](=O)(=O)CC3)C#N | 7F7BB8B07CE6FBFA_F52CC0C655E11D12_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN(C(C)C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | 8224EE9166AE3703_406C5B190F98A87F_6038_UN | 38 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN(CC3CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 6C0F3BBF24157D8F_9AFBCAE6762C3D1E_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCN(CC3=CC=C(C=C3)F)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 1BD4A2971886648A_7BF13A69962FF82C_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCN(C3CCCC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | E1F2181AD8810524_24B439FF2513B604_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4CCC3CCCCC3N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 6C105F677D433143_1AFAA4125BA60B36_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN(CCOC)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)=O | 9D34C1142D8DAA30_E1F3534653FA8981_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=CC=C([S](C)(=O)=O)C=C3)=O | 9CC4D2492B0E923C_52179EAA9850E63D_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC3=CC(=NO3)C)=O | E46B15069E213E25_1BD31C43BDD65337_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC4=C3OCCOC3=CC=C4 | 865AD49475EBFA4A_9AC75EB0ECDE4644_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCCNC3)F)=O | 2BB3F0C58E3F564E_07C0B3F9FC193987_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C([N](C)N=C3)[S](=O)(=O)N)=O | 07C0F419EA9E01F2_DBF90CACC8517545_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC(=CC=C3)C#N | 46C037D8B0C54CEB_C5D0049D43F5F709_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC=NC(=C3)C4CC4 | 19A1C9E97AA87D1C_06555E75E73DC431_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C(N(C)C)C=C3)=O | 419C57E7816A02F5_B9335C93A4F2882D_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CN=C[N]3C)=O | A2587A5883D4BCF7_B9F329847C13B309_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C(C)S3)=O | 23256B6E19059653_7F2850BD728BD5A0_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=CC(=C3)C)=O | 53FCECEB99C73475_43038B2A3D1BE4BD_6038_UN | 25 |
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