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)C=CC3=CC=C(C=C3)[S](=O)(=O)Cl | 5C423546DBF6DC68_470851902BD1E547_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(OCC)C=C3)OCC)=O | 9E0F0FDB29F3A15D_2A5DD03EC147EE0E_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(C=C3)OCC=C | B2874AE96F6613E5_8175DC63BA5A3F4D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(OC)C=C3OC)OC)=O | 1FCA0C563E359E27_02CF8B8A7EE9CA77_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=C[N](CCC#N)C4=C3C=CC=C4 | ABCF3CC52B4ED91C_4A070A5421E394EA_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(OCCCC)C=C3)OCC)=O | 65F21816D9E50217_20DEBB3943249B6C_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC5=CC3=C([N](CC)C4=C3C=CC=C4)C=C5)=O | 486F3D1CDC030BA6_6F3CB79425E5D5EB_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C[N]3C)=O | CE3709B025AFF039_4AA4A6C4EEC058FE_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=C(C)[N](C(=C3)C)C4=CC=CC=C4)=O | 5D2E03F4B3E8A91F_B3B450B7645495BD_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC4=C(C=C3)OCCO4 | 24605D63F3656C17_884F6DE79B0D6F75_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(C=C3)[S](=O)(=O)NCC4=CC=CO4 | 36D89ED85A1C6C7B_A5A21BBC022D4F76_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=C([N](C(=C3C(OCC)=O)C)CC)C)=O | 102769E202EF6432_EF17E6D8DB10BED7_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C([S](N)(=O)=O)C=C3)=O | 44D55875523ACCC7_BD4243A19B88E043_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC4=CC(=C3OCCOC3=C4)OC)=O | 448A9A51E0C83084_D959AB1188D1F38B_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(S3)C4=C(C=CC=C4)[N](=O)=O | B20FEFE7A48CEB8E_678AF3332147C30A_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC4=C3OCOCC3=CC(=C4)F | A3EBAC50E12D1DA3_A037E6B03A5582DF_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C([S](NCCC)(=O)=O)C=C3)=O | CC23AA14DA576A75_224EB3579B2A0042_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC4=NC3=C(C=CC=C3)O4 | 0C0A2200CDF419F0_23887FD1C8BB4FE4_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(C=C3)[N]4C=CN=C4 | 368881A13D271713_6D81F2F22EBBBEC2_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(OCCCC)C=C3)OC)=O | 23E0114C3157BE07_E38E0C365818BA72_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC4=C([N](C3=NOC(=C3)C)C(=C4)C)C)=O | 72FF621C38DE2B98_1F0C0B9C415A1E72_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(OCCC)C=C3)OC)=O | D818A2CADD2F2200_97F46C2EF962C28A_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(OCCCCCCC)C=C3)OC)=O | BA29ABDF5FCBD401_6E47B47E3550FBD8_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(OC)C=C3)[S](=O)(=O)N4CCOCC4)=O | B03F4910B6E582DA_26FECC87B682E3D8_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(C(=C3)OC)OC)OC)=O | 381D12BE2AB1B683_131E85CBB61207D7_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(C)(C)C)OCC)=O | C729C224F97ED567_ECC1C27B0F6AE0EB_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=C[N](N=C3C4=CC=C(OC)C=C4)C5=CC=CC=C5)=O | DC46F4025BA44FAE_EB137C68083E749F_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(C=C3)OCCOC4=CC=CC=C4)OCC)=O | 43674F29ACAA7A1E_C7FA3555E64D2D24_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC4=C3N=CC=CC3=CC=C4 | 5BF69E5AD78C7C09_850A4ECEDDF21547_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC4=C[N](CC3=CC=C(C)C=C3)N=C4C5=CC=CC=C5)=O | 22695AE0C12ED588_3B058480A8F64435_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(OC)C=C3)[S](=O)(=O)NC(C)(C)C)=O | 716C435895844380_6CE55064AF660930_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C(OC(C)C)C=C3)=O | 2BF169FBD754ADC2_A1C047356BE9B641_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(C=C3)OCC4=CN=CC=C4)OCC)=O | F5195D3EDE8898A6_8D7434EC59C630BF_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=CC(=C3)OCC4=CSC(=N4)C)=O | 6DF429C083BDD2A3_25F307B7F4EF6DA0_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CSC(=C3)[S](=O)(=O)N4CCCC4 | A31E92F5412B373C_6D4205B0C33673B6_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(C=C3)OCC4=CC=NC=C4 | C505DF164B808815_20A802B1188B606C_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC4=CC=C(C3=CC=C(CCCC)C=C3)S4)=O | 5388F3BFE74163F6_2A406600BB5A8E0A_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=C(C=CC(=C3)OC)OCC4=NC=CC=C4)=O | E734DDB38061703B_D13FFD19978845A1_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=C(C=CC=C3)OCC4CCCCC4 | 0FB869A3FB070F4D_E449036015389E80_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(C=C3)N4CCOCC4 | 2B54ED7DE21EEA81_47F9465935BF4E99_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=C[N](C)C4=C3C=CC=C4)=O | 9D177A81A414F531_2291BD8C8345DD17_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C(CC(C)C)C=C3)=O | 273E3461FFCD056F_B7386D38E6B5D68B_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=N[N]3CC)=O | 9993AAD8ED0B2521_00CDADCD61D035F6_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(OC(C)C)C=C3)C)=O | 5230FDE80232CCA1_2D86C3D639FFCFAE_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC4=C(C=C3)C=CC=C4 | AFE371FF84C4B0E0_E6B45A2EA9AC8163_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=CC(=C3)OCCOC)=O | 1A1B67592E1C84AD_E3703BFE9ED9B103_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=C[NH]C=N3 | 32793C35E03702A3_389823F9A98251DF_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=CC(=C3)OC)F)=O | 6F394F5C8E11CAD7_087FA67E7318C88E_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC(=C(OCCC)C(=C3)OC)OC)=O | 009157366090A095_365DEC1DEA93D814_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=C[N](C)N=N3)=O | 77BFF91EE962E2A1_893564E88734047F_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(O3)C4OCCO4 | 047659133B918565_4EE8C1C85C7A79B1_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)OC=C3C4=CC=CC=C4)=O | FBEE14C936C02BCF_C185901E276EAD6A_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(O)C=CC=C3)=O | 82F1807DBFCEA426_9ECE41A16E224143_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC#CCC)=O | 14E6D72CEF2FFA09_FEBE4E51C8D78B29_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C(C)(C)C4CCC3C4)=O | 11347AEE8DF7C46C_91AAEF8F61BCCBEA_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=C(OCC)C=CC=C3)=O | AADAD34DECF0D8B9_BD83904481C9AA0B_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4CCC3CC3N4)=O | F09EC7F21C7DFF06_4280A8C60A97E4EB_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC4=C(C=C3)OC(=N4)N)=O | 326FF54D5B5B611F_17EA1ACB6A537D56_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CCO[C@H]3C4=C[N](CC)N=C4)=O | 31CF93883F2DBB2E_C4B1DEA2A65A774C_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CCCO[C@H]3C4=CC=N[N]4C(C)C)=O | F00201B1F0921D5D_131253DE85D9AF0C_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)[N](N=N3)C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | B10701E17037BCC1_95DA20CDE76E245F_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 19B6423883858879_4BD03E7A4872B2D7_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CN=C(S3)C4CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 33B9C4A732406D2F_78F1E8862DE83213_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CN=C(S3)C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 6CFB990605BDB7E1_FD8E7B6A202B5D6F_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(S3)N4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | B349A256B409A33A_456BD44BDA6C254D_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CN=C(S3)N4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 4E89DE791BAA5D92_1F1DE28BD10E6FA0_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC7CC3(CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)CO7 | A5125A45181E1B17_8D2DFADE6CBE39C7_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 241ED76D61C97EDF_006C6B92A322BA79_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3CCN(CC3=CC=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | B199F1774F587573_8C5ED38D03DBC39B_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3C[C@@H](OC)CN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | BC9334DE1D583044_2A011A455F406E6A_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@H]3N(CCO[C@@H]3C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | B82DF269BCC30441_BD9B79A349036C2C_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(COC)CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | D85B2D351C0524C1_6EC05FB2F9493302_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C)CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 051D650150C4DF77_815AB805373700E2_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC34CCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | AF2BC7735E276EED_AD34BA5BAFF715E9_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=N[N](C=C3)C4CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 8F9CF2F06B4F99C7_975C79FAEE4A0927_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NN=C(C=C3)N4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | C39322C235509B70_B301BFEFC7892AE8_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CONC(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5 | 2B2FE4DAFE520BDF_0EC8D0994256B406_6038_UN | 36 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=C[NH]3)C(=O)C4=CC=CC=C4 | B7A5AD1B171D3F3C_B977102EB9189ED5_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C=N[NH]C3=NC=C4 | 038DCEC2ABF1EFBF_38DC834790825B7D_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CN=C([N]3C=CN=C3C)C=C4)=O | 9465BC6B3E9C61F5_C65DB7A776226D29_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)C6=CC(=C(C(=C6)F)F)F)=O | BDBE7BA75863EA29_73F03B907671283D_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CC=C3)CC4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 47EFE065693EA5F6_D14A8255822D5D76_6038_UN | 46 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(N3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C7=CC=CC=C7 | C10FE5575CC038C4_E94F9DCC08AF8491_6038_UN | 46 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4CCC(C3=CC=C(OC)C=C3)N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 196062024BFFD298_1EC4F02F7DABECDF_6038_UN | 46 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C7=CN=C(CC3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)S7 | 8AB4B255243A5A35_8EB0323D54637136_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=C(S3)C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 04314FEE2D71158A_467DE8B754D82C63_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)C6=C(C(=CC=C6)Cl)Cl)=O | 3A855C7665B0A8C9_55296C0686BC15E3_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3N(CCC4=C3[NH]C5=C4C=C(OC)C=C5)C(=O)OCC7C6=C(C=CC=C6)C8=C7C=CC=C8)=O | BE5CC49AE54FF73D_FDA9923633F499D3_6038_UN | 48 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC(C3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C7=CC=C(C=C7)F | 312CE29666FFA290_A0B4B995192A8706_6038_UN | 48 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CSC4=C3CCCCCC4 | 99BA3866B9BB1882_FAC833071DADBECC_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCNC(C3)(C)C)=O | E4E096C1486727BD_063A14DEA9FCDACC_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCCCN=C=S | E8534F3938ED3C6C_7FADA0FB29D6ACBD_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C(O)=O)COC3)=O | CE3C3AAEEF0ADE93_BBBC9024935E2E51_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 34ED6BEDB81484D4_C4785C99C4CA45F8_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCN(CC3=CN=CC=C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | B2E8CF46C9323767_50CF4FF22BF16141_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | CC42795BB2621A9E_6A8EA587812CD12D_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN(C3CC[S](=O)(=O)C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 6374158D54D5ABB6_B5B6EF4461D1F14B_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN(C3CCCCC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 6464B26CCDA4ABC3_75FDA4DC3C2B4C0F_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)C6=CC=CC=C6)=O | 63D6D9292AC961C2_CFC8E9EFA664C240_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)CN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | B5772A74B6854353_FD27661536083E45_6038_UN | 42 |
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