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@@H]3CC7=C(CN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)[NH]C8=C7C=CC=C8 | AC753184C2F38121_5BEB3499CE5E9D57_6038_UN | 46 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C(C)C=C3)=O | 5C312587A1DD6DFD_357EC4E4D8267ACE_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 13761FB204952E72_93D82E87014EC06C_6038_UN | 37 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(COC)CCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 58E69683E2D8F1FC_4941935D8A2F7BBF_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC4CCC3N(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 3EB4529672A51FED_7624FCB5C7A86B0F_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C6(N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)CCCCC6)=O | 397A35098C942FCF_2D275287DEAE6174_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C6(N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)CCC6)=O | 5F7B7CB5CF3911DC_F14387356B56F382_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(OC)CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | D6DC4727979C2188_719B98EFC4C24A3C_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@H]3C[C@H](F)CN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | A2D9B1175392C2D4_65E0C23D76F13F89_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCOC)CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 8FDC98BB30511A96_D7EC7EC1FB16CC72_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC34CN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 74520C8880E3D24F_DA2E7F6674378FCD_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(C4CC34)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 0727E8C97C2DF58B_0B81658370B81757_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]6C[C@H](N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)C6)=O | FC87D3B08D7BCA6C_8B160BE63991FC75_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3N(CC3(C)C)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 9C841B8E9DB1FA49_C2DDFE83DD900483_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC3CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | D056E3ED9CD01EA8_43B34CCE381292DF_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 2FBB30E49A0C2939_CEA5B4E9BD4C6913_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@H]3COCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 4B09CDAB73A01C0A_9CE8F8C2B7CCE16B_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C34CCC(CC3)N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | BBAB5CD2529092A9_BEE108A8F2EB41B4_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCC(C)(C)N3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | CDFFE59D78EF69D5_33EA1DB91F9BA3EE_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCC(C)N(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | A8C5334847C67FE8_6E6AF78ED057C4A6_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C6(N(C)C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)CCCC6)=O | 461F19A7DF062881_70DB7410333B0855_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CC)CCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | DCBB529D455B04DC_F5B8C0F3736B2BF0_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3COCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 5AD7197D80426F69_4DEF63022901C0F6_6038_UN | 40 |
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 | 1D4AB48F092AEEDC_2E61EA1326928F5A_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCOC3CN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 452560144865DAB2_2250C82E1D10C24D_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=CC(=C3)C)C)=O | 78754F9EE2D39581_0636EF4D42FB48B5_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)N=C[N]4C5CC5 | A4EC9602B5AA5A12_82B2928044817257_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[C@H]3CCCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | E1847C118B80CF23_FAE4226849FD6DA4_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC4=C3CNCCO4)=O | 2975CC7A5F795D83_FA06275E003D4C9D_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC3=CC=CC4=C3B(O)OC4)=O | F3F398E566DE5D09_FAAE98CB4FEF6C8D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(C3=CN=C(N)C=C3)O4)=O | 067CDB2B169EA315_98FED0575007BCDB_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(NC)CC3=CC=CC=C3)=O | EA887A4364C936BF_8A28CEB570AD5036_6038_DP | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](C)N=C3C4=CC=N[N]4C)=O | 00F0BEF6FEE10049_886D969389C4C928_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CC(=O)C3)C4=C(C=CC=C4)F | B107377271A6F89F_BBBB5FE37EFFF1CE_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC(CCC)C3)=O | AA0905EF9A527B5E_C78F543B876A4869_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=C(C[S](N)(=O)=O)C=CC=C3)=O | 4B65EED5CA0E29E1_9F24DA1A95407A3C_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=C(NC(C)=O)O3)=O | 27F4EFA46153066E_81BA7DA6291690EA_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]4[C@@H]3C[C@@H]3CN4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 4CCC1E08212D614E_8D1E221ACD77B446_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3C[C@H]4CN(C[C@@H]34)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | E746598B284ADCD5_75C66357F6DF3BA4_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3CC[C@H](N3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C7=CC=CC=C7 | 5F933CCAC2274814_69FBF937AB89D7DA_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C7=CC=CC=C7 | A4837C5D27B35A92_2B0DA2E25B3754A5_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3([S](C)=O)CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | C65B1CD176EF712D_7626274AA2AA3F40_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(CC[S](=O)(=O)C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 94D2DACB4969EE5D_07DE00FD4116F2D9_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C7=CC=C(C3CC(C)N(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C=C7)=O | 2B5A59EB95E69046_9EF4BC0B4F7FFAEC_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3([S](C)(=O)=O)CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 5773B1057037C699_13AAA5511C735679_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3CN(CCC3=C(C=C4)F)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | D0BDAE7C2F4D6033_C52951AB74986FB8_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[NH]N=C3C4CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 1066A4DE7DF8E0DF_FF0C25578846DA2F_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(OC=N3)C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 56DEDA00D30586B0_5F33D97610D443D2_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CN=C(O3)C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | D2051FBC626B54A0_E528CDB833AE862E_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CN(C[C@@H](C)O3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | A2DCA1DBE8B08139_AE85C80489A5FC66_6038_UN | 40 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@]34CCO[C@@H]3CCCCC4 | CE726E84B870DC74_709ED0CEE1B90CAC_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C34CCC(C)(CC3)OC4)=O | 5DF0B0DAC72AF644_5D141261AD0E0451_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=N[N]3C(C)C)=O | D9554504018C265C_7888A28F08A08D3C_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CSC(=N3)C4CCCN4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 20BA255C097F5AE8_17609D9BC724E115_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C7=CC3=C(CCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)S7 | 984782EB925C231B_85CED2E3289BE3B1_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NOC4(C3)CCCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | BA28872826DEDE30_B973D95E0BCCCC8B_6038_UN | 43 |
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[N](N=C6)C)=O | 802D4969F2360AC5_02BE9B0C645297F1_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3CC4CCC(C3)N4C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 9E1584EB68775865_549E83938EF9B522_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C7=NOC3(CCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)C7 | 8EFE596E00F06DB0_7EAF0B0D0BB04034_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3C4COCC3CN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 774A4AE860E90FD9_12B86F71D7C1FCCA_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3N(CC34CCOCC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 3540AF82A40B8E59_208E362FE235C99B_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)(C)C3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 63DD6B6B6516A3AF_361D5714D7F10E0B_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC(C)C3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | A5B349881F5C3F78_A3D05979373DDAAD_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@]34CCC[C@H]3N(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | BFC8FA7E559F02CD_88FE32389D7BF07F_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@]34CN(C[C@H]3CCO4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 4C649E98D67189FD_0D5510F1AFB0C55C_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@]34COC[C@H]3CN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | F5298BD51E2B13D1_30669A520768B47F_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=C(CC(N)=O)C=CC=C3)=O | 9F7B31CDE8FCFE32_8F1BAD4F0CB0160C_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3C[C@H]3C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 539D23EDD84DCFEC_1C41A26F8CE1F3FC_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@@H]3CN(C[C@H]3C4CCCC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | E880CEDBACAD37B0_0F223D757B6F9E4E_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)N3CCN(CC3=O)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 8B03D3D0988E0D94_E419D578CAFE5204_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)(C)N3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 8F891C031ED06BDA_A26DCFE891FAA798_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCOC3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 20E4E42120AA1722_1D8A878483C840AA_6038_UN | 42 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3N(CC4=C3C=CC=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 3B5D8E922956B8CB_10E8EDB5FEF51D97_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(CC4=C3C=CC=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 50C1E603547CC381_165F1F5CCDA8C667_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3CCCN(C3=CC=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 2D1E3A6086CD85B0_73581F9800F33656_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC4=C(C=C3)CCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 8AEC42D9C1A3DFEF_7165FFB4AB9DF7CF_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C7CN(C(=O)OCC4C3=C(C=CC=C3)C5=C4C=CC=C5)C6=C(C=CC=C6)O7 | 03FDCA85831F00EA_8B2EAB27D8E4C03D_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3C[S](=O)(=O)CCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6 | 0450CD2098C3E793_2EA8213387266016_6038_UN | 41 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@H](C)N(CC3=CC=CC=C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 8FEEEC6EF41D3FF3_4B3D33B424F59A57_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C([NH]N=C3)C4CCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 729E25087818C3DF_BDAE79196A0ECD19_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CCC)N3CCN(CC3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | 3DCF540697C359D9_E2BD0913BA1CFFE6_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCNCC3)N4CCCCC4)=O | F99612012182A26D_96FD234A4E1E16E2_6038_DP | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CN(C[C@H]3C4=C(C)[N](N=C4)C)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 9A740B5953F2E4B1_AF59707BA09AA832_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[C@@H]3C[S](=O)(=O)[C@H]4CN(C[C@@H]34)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 43635DA420DE1386_29497E1DE3C79B81_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@H]4[C@@H](C3=CC=CC(=C3)OC)N(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7)=O | 0E143D348EBACD36_BFC11DFAC93A5CCC_6038_UN | 46 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)ON=C3C4CCCCC4)=O | 99DCECAEB09D1BB4_1D626C147F38CA69_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CN=C4SCC[N]34 | 29CC822A6F77A65D_8A05BD875E58D8F2_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CC=C(SC)C=C3)=O | A10324F71213EA84_E498BEF0E19E373C_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(C=C(C(OC)=O)[NH]3)O4)=O | DAE9BF6F00D46B0A_5BD42BFD6A258A6D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3OCCN(CC3=CC=C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | 835A8D3256C615DF_290D7017D29E1D65_6038_UN | 44 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC4(C)OC3=C(C=CC=C3)O4)=O | 89E41F2787B8ABC5_4EC7008C7484B991_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(N=C3)CCCC4=O | ABE6E4F5FB06FA0C_9E35816DEC060DB5_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CC(C)C)C(C)C)=O | 4A36CB7C8C5302DB_51C81DAA71EB17C4_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(=CC3=CC(=C(OC)C=C3)OC)C#N)=O | 55E497A889636D73_DD2DE9A25AF16412_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]4N(CC3=N[N](C)N=N3)CCC4)=O | 3AEC51684BBF8226_04A07C0CE0B524B4_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(CCC(C(C)C)C3)S4)=O | F43B4D17B966F399_F2CF4A70EA4E450D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=C[N](N=C3C4=CC=CS4)C5=CC=CC=C5 | 3A2E71CF40CFD139_F5D513054D2D7D69_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=C[N](N=C3C4=CC(=C(OC)C=C4)OC)C5=CC=CC=C5)=O | 18C10D247CA2BE3F_CD1CDBF9465A431B_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(C=C3)[S](=O)(=O)N4CCCCCC4 | ED21844582D4E80A_3C1F22086A026422_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(C=C3)[S](=O)(=O)N4CCC5=C4C=CC=C5 | 8AE9BF4AAC7F6501_59111A8021F4323A_6038_UN | 36 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.