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=CC(=C(C=C3)I)Cl | AB481B1B991430C1_255C5B8A45C630E1_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[N]3N=CC=N3 | 8B1D84597EFEA8EC_A51A09BE80123A9D_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCC(C(OC)=O)C3)=O | 46B300F72BCCFBDF_F6891073AA5425BC_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@H](C)N(C)C)=O | BD812F487606ACD9_B9FBEBB86336B857_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC4=NC3=C(C=CC=C3F)[NH]4 | 60A089FFF255E7CB_4124EA79062FB336_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C(=CC=C3F)[N](=O)=O)F | F1D647A69F80E033_578B46AF4DA1B81E_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(OCCCOC)C=C3)=O | F593DADD56D13180_F841ADDDD39117B7_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC(C3=CC(=C(OC)C=C3)F)=O)=O | 75BD8901DB8EF636_192505F6E5454C9E_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)C4=CC3=C(C=CC=C3)O4)=O | C3C3BC63630C0898_58FB45B3A62906BB_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC4=NC3=C(C)C=CC=C3[NH]4)=O | 0EB864B29D05AA97_DBC07E9FAF1FE73E_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC34CCCC4 | 9C4858022426C2F5_C65F1D9230DD47E6_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)CNC)=O | 1FB1CB2A0162952E_052376F7A33660F2_6038_DP | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4CCC(=O)N(CC3=CC=CC=C3)C4 | A8D0997D4DB7E7CD_FE5E374363716A7A_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C(=C3)[S](=O)(=O)Cl)F)C)=O | D542F15CF4C11083_B2BDB52D3B8855B0_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)SCC#N | 9F51C8F072FDE000_230D2E033D893506_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CSC)=O | 0B2BE96107FA7F7D_5B583727CB9827A1_6038_UN | 20 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC(=C3)[N](=O)=O)[S](=O)(=O)Cl | EEC6C017511331E1_5DC9BEC439C6C9CC_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)COC3CCOC3 | 6FBF38256099D0C3_1A1F568FF0210522_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C[N]3C)C#N)=O | 1F51E5D5DE8FA117_77503B2AD99D6283_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC3=CSC4=C3C=CC=C4 | AC19F27FAF7D34CA_3790199BF91C3530_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3OCCOC3=CC(=C4[N](=O)=O)[N](=O)=O | 3D4FFDCBA3224CAF_FD4A841A635A9D35_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(C(=O)C3)C4=C[NH]N=C4 | BFA1668BD9E024F0_2AEF0E01214D9FD7_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=C(C)O3)C)=O | 61A25061611EBF2E_4C3D015E42205BFB_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](C)C=N3)=O | 0DAE06F78B5425DC_D1ED05776BB55B72_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(=C(C)C)C)=O | AE5535FDDF0A5668_B1858004AEBC8044_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=CCN(CC3=CC=CC=C3)C4 | FDD08EF9544FE7AD_50C6C848132833BC_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=NC=C3)N4CCC(C)C4)=O | E70F5B625EAA0FCF_55858B429570262D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=CC(=CC=C3)C#N | C06824172FE2C82D_A16646C868D9946A_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(N=C(C(OC)C)S3)C)=O | 7F89D34193274F61_A05A2EC182B31C00_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC(N(C3CCN(CC)CC3)C)=O)=O | 7FB03552CEF6C821_63740CCB35C9101F_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C=C3)F)CSC)=O | 181787003C400ED7_F0F721791B71D051_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(C(=O)C3)C4=NC=CS4 | E3A041382370FA03_61ACF6A9AEBC3AB9_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CS3)F | E567B7FFFCCE0C57_96A42F34D303F31E_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CN=C3C=CC=CC3=C4C)=O | CA3A2F53E89132A7_6ED6EFB4A68AF573_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C)S3)C4=CC=C(C=C4)F)=O | 909879C5F8D39BA4_0F419BEB93316C46_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C3=C[N](C)N=C3)N4CCOCC4)=O | C0A3F20CACB0FB51_4EB4BDEAA89110F5_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC3=NN=C(C(C)C)O3)=O | 12735BC29190863A_EBD8CD2D61D13687_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)C3CCCC3)=O | 558834853276AE48_6507F319FEB5B4E8_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=CC(=C3F)[S](C)(=O)=O)F)=O | 809E48573C1A4986_906DEE92D1A98FBC_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC=CC3=CC(=CC=C3)F | FA2577C366CF7296_4BA38C0EBBEDFF66_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=C(C(OC)C)S3)=O | 36398272E0362A2F_1F5F2795BE9B586C_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCCCC(C)C)=O | F6BADE9438C0A582_BAB0D5602D5AA1A5_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(O)C=C3)=O | 5A617DC61C92C59B_E56171C6A0C01BE8_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CC)CC3)=O | EEE3E764952FBD63_64B5D298F1A91850_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3CCCCCC3 | F6F0B9319C78B86F_8EBD5153C154F45A_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCC3=CC=C(C)S3)=O | 151408513129EDF1_4D7AE22C9C9192BC_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCCCN3C(=O)C=CC3=O | F01E6E6BE1804E82_24AC3015CFEA0901_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C(C)C)[N]3C=CN=C3)=O | CD921EB0FA9AC518_76DF453293E96FB8_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=CC=C(OC3=CC=CC=C3)O4 | 46CEB6856976FD97_BBC42849E380877A_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC(C)C(=O)C3=CC(=CC=C3)F)=O | 99945AD7923863FB_75CC0E1A4484E27D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C3=CC(=C(OC)C=C3)OC)C)=O | DA452CDD476A3CDD_60B7E591FD7E919E_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4(CC3=CC=CC=C3)CC4 | 1C7BF93DA13CBD8C_D5F5815782AF6167_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CC)COC3)=O | 218D915D788959D7_72357854E1CF015C_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CC)CCC3)=O | 16557C9B13DD142B_55FA14FC0175BE83_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=CS3)[S](NC)(=O)=O)=O | 2198AAD01824200E_4B75089D3E277B35_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C)CCCO3)=O | 24F32D2E8D067A61_364FEF1D9FDDF76D_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC(=CS3)CN4CCOCC4 | 2EE7792A4BD82B84_0DDDD7C98BFD4EB8_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(N(C(CC)=O)C)C=CC=C3)=O | DA958C21F226DEDD_08EBA31B033DAE20_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=NC(=NO3)C4=CN=CC=C4 | 0C246A97C8ACE15E_1E6D174DD86F9155_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=CS3)OC)=O | B80D52DC975CF293_F94157ECC572E909_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CCCCN3C)=O | 198F3A86088B311E_161F9F432D469E62_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC=C(C)CC3)=O | C274EF41930E911B_97AE890BF5733BA8_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CN(C(C=C3)=O)C4=C(C=CC=C4)F | 03456CD72D8BE321_E568CE10C05DAC64_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C=N3)C)OC)=O | 5DC5953C59A1ACDE_799852D60CAAF87C_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSCC(C)=O)=O | AC0549A82D01B676_BEAC0A3C0AB4BB16_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CC)OC3=C(C=CC=C3)F)=O | 0BC4FDCF0FD1D42B_24E24897A5E67A9C_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC3CCCOC3 | FAB82E5FA45A2A14_F9D3A7DD8FD99528_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(O3)C)C)=O | 477F1447EAFECF91_E6949E1B8E72527E_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=CO3)=O | 620F561368F4EC46_89BE348DD486A66C_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCOC3=CC(=C(C)C=C3)C)=O | 7936F6E5D54D33DE_6E5EF3F9F945E1D5_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C(=CC(=C3)[S](=O)(=O)Cl)F)F | 95B5FA632C1718BC_6C61309CE5E18694_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4CCN(C3=C(C)C=NC=C3)CC4)=O | 821646A742D52156_ACB53CF54A11C0CD_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=N[NH]C=N3 | 966FE1CD93FAF9E3_48E40DC2A85D8496_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CSC(=N3)C(OC)C)=O | 3873ED2D5E257803_A846940FB640A631_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[NH]N=C3C4=CC(=C(C=C4)F)Cl | 657CF000AED4CD10_A0BD0A509CEE128F_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC3=NN=C[NH]3 | 761B4C79C268D974_4268EB407B69E80C_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCOC(C)=O)=O | CC3EDED7EF7DAF55_1F9D2107BA38A476_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=C(C(=CC=C3)F)F | 7E6E4AE6FB92538F_0568C936D7B6195F_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCOC(CC(C)C)C)=O | A2C532ED49BD7C58_7CFD4B98AEABA354_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCSC3=NC=CC=C3 | 01B7E8188B5D1CC7_9B6B3117A4784C3C_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3CCCCO3 | FED11A9DF8D14F9E_97F312EE179DCE3E_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(=C3CCCC3)F | 93D8C21F5D9A5427_BF68F075213273D2_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CCCCC)C(C)C)=O | 4E514D12AA4CDFFB_46E34A3CAEC61C31_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CC(C)C)N3CCCCC3=O)=O | 1F1AACED1B625AD8_36394E927F466290_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC(N(CC)CC)=O)=O | 39543B354FB063F3_ACA11F9889E2FD50_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=C3CCC(C)C3)=O | F0587A36576F2E8F_325F0658C7A3ADA5_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(C(CC)C)C=C3)=O | B2B619F668D9E4C8_BA1AEF3A235806EB_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(O3)C)[S](N(C)C)(=O)=O)=O | 05C3033A8B314A18_D473816A22F052A6_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(N=C(S3)C4CC4)C5=CC=CC=C5 | 60B36EC7511AF200_D108B0B10E2A636E_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C[N]3C)C(=O)N)=O | 0AB0A40C79138C0B_1DEB0DD17879D9CF_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[NH]N=C3C4=C(C=CC=C4)F | 7D5B5DC5286016EC_D0D0F20421265220_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=N[NH]C(=C3)C)=O | E79F7FF1BBB76332_4E5B263BCF991754_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCCN(C(C(C)(C)C)=O)C3)=O | 6F20513E5FDA20D0_7A4B1758E6239D17_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC(OCC)C(=C)C)=O | 5C9A36486D9160E0_811D8E69BAB575B2_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C[N]3C(=NN=C3C=C4)C5CC5 | AF82C7A6E56D4FC7_E10DF62D7419663D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC=CC(=C3)[N]4C=CC=C4 | 46CC2838D93CEDE7_8EF90A0BC20682CA_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C(=NOC3=NC(=C4)C5=CC=CO5)C6=CC=CO6 | FA9D96A85ED70FE9_3514B95B0361BAA1_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3C(=NOC3=NC(=C4)C5=CN=CC=C5)C6CC6 | 2D8B46DE3B4238AA_5397891753A66950_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=NC=C3)[N]4C=CC=C4 | EB20540D10F52246_D6EACCC6FDA37821_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN(C)C(=O)C3=CC=C(C=C3)F)=O | EED094ADF721AAEA_D4523551BE564095_6038_UN | 28 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.