smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
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CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N](=O)=O | 001611319BEA4442_97B9BEEC776DCB60_6031_UN | 24 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=C[N]4C(F)F | BE4CAB36F7BCE5CC_07FDD18904C57FF2_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=C(C=CC=C4)F | B68800474210B91E_D7C024105D28C18A_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=C[NH]C5=C4C=CC=C5 | B6FA244EC77D8542_79CA8A8F94BD9D9D_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C(C(=C4)Cl)OC(F)F)OC | A666D747F2447D60_0D375847BA3BCC8C_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN4CCCNCC4 | 5D2C2F37CFE1E641_76064C20BBD4D48D_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC(C4=CC=C(OC)C=C4)N | 55331AACC6BEA924_F131C93C435AE9AF_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4CCCC4 | 8371A667A5E2A9B6_8493FB2DCE986775_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=C(C=C4OCOC4=C5)Cl | DCD0C963DD31684A_EBB2E5DE41E66EFE_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=CC(=C4OC(F)F)OCC | B1E974BB52308739_656BFD9ECA16E863_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC4=C[NH]N=C4C(F)(F)F | D92714A116C0D90E_2475A97F7506B279_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=CC=C4)[N](=O)=O | 5CAAB1E002CD3714_42174460A047EFF0_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=CC4=C(C=C(C=C4)Br)[NH]5 | 39E832782FF610D4_AFF3D7DFF6967F8C_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCOCC | 56744C35257429CC_81D2B63F29653178_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CC4=CC=CO4)C#N | 72E6F05F97B4A0FE_C5F3376863F1FA37_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CN)CC4=CC=CO4 | AA59889CB87386B2_513CD26936B5ADAD_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C(O4)C)C(OC)=O | E4B8C204275889F0_CF766AE5455455B8_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCCN4C | 5F493194F07A05DB_4A74EA383177021A_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN | D2D4959A39A6BCFC_CE61569325CA065E_6031_DP | 22 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC4=CC(=CC=C4)OCC5=C(C=CC=C5)Cl | 405525D0BD5270DB_FFF14B48F976CE91_6031_UN | 38 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=CC=C([N]4N=C(C)C=C4C)C=C5 | 5FC57B30EBC8A638_7C896B0A38D9ED47_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4CCCCN4C(C5=CC=CC(=C5)N)=O | 30CC53C69F7C226B_FF1146516F5D2A7D_6031_UN | 36 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4CCCCN4C5=NC=C(CN)C=C5 | C217BC7822505A7E_1AA3466D26513B55_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]4C(=C(C(OCC)=O)C6=C4N=C5C=CC=CC5=N6)N | EC67B881EBE7DE45_596A59F2409FF53A_6031_UN | 40 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCSC(N)=N | EF78F3921A5AF764_91DB60813E523B15_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C(C=C4)Cl)[N](=O)=O | 6438779EE80B0FB4_69F1CA241BE7CEED_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=CC=C4)C#N | 3C1926F0D081E96B_D19E303E0A7603A7_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(F)F | AF7D9F14F08B5474_FF90CFE7E85F2BA0_6031_UN | 23 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC(=C4)Br)F | 21E337CC2792C6E1_022A959BC9C5E11E_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C[NH]4 | C5EA1ECD23810B8C_970DD34FEAD950EE_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)(C)CCCN | EBBFAF1D63040AD2_FEAACCDEE41B3FF2_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCOC4 | 320FCB52FEDD7CBA_56743213017F6966_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C([N](N=C4C)C5=CC=CC=C5)C | 940D5008B8FB8DBA_874BB8AB1A6B5CA8_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC4=NN=C(N)[NH]4 | 186444E31802455A_0D40FD9114381F25_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(N=C(C)S4)C | D2B4F9C899243098_EEA73F96458D16B3_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCOCC4 | C27CEB65696CBC8A_44D338215FBAEDC3_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCCN(C4)C(=O)OCC5=CC=CC=C5 | B7B9494835C078A6_245147950F569112_6031_UN | 36 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNC4=C(C=CC=N4)C#N | FD369DC54E9473CF_514ABF206467C757_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=C4OCCOC4=CC=C5 | 953A0F29F0C33739_D7DE3C598A9B06B0_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCCCCC | 78D7EC244480937E_450FC2647BB5D35C_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5CN(CC4=CC=CC=C4)CCO5 | FA42601F2F4FC1A2_80D3CFDFB7F86EBE_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC=C4)N5CCOCC5 | 7F8DD26E5C738253_86C07E0479683288_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(OCC)C=CC5=C4C=CC=C5 | B13203F4E151B020_AB3A213C5222E66D_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNC4CC4 | 6177CB4A4C83879B_EE5E59A718DB778B_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCC4 | B0FD39E0065AE691_21443C35AD4669B6_6031_UN | 24 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC(=O)C4=CC=C(C=C4)F | 7A8D601AF929D1FD_9FBD11C251129267_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=CC(N4C=C(C)C=CC4=N5)=O | F29BAF55267E24BF_A243F13E904D971E_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=CC(=O)N4C(=CSC4=N5)C | 1294DD56F952FA5E_69EBE77A404794BE_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C)[NH]C=N4 | 53B52226C1489387_D99B7023CB0AFB62_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C(OC)=O)N | B4CE03980E17ED22_5DA78533F21B3F8B_6031_DP | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CC4=C(C)C=CC=C4)CN | 32B1A694B3DA9087_DC8B58A3E76117D9_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=C(C=C4)OC(F)F)OC(F)F | 436E7AD7DB68B2C9_B1CEA5910023745E_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC5=C(C=C4)OCCO5 | 13CEB4216ECF3894_5588FC8BC0D64EE9_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCNCC4=C(OC)C=CC=C4 | 89CE6DFC3B683D1D_92EAA27FD6315DAF_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CC(F)(F)C4(F)F | DF39F2EAD4E61C89_173721FDA83117E9_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=CC=C4)Cl | 064625422B82BD07_18B2008D380A25C9_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5CCN(CC4=CC=CC=C4)CC5 | F023ADB5E3D2E357_6C3D9A567AD9466E_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=CC(=C4OCOC4=C5)Cl | A8AE958945EBC0DC_7F8A61422AE930FC_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[N](N=C4C5=CC=CC(=C5)OC)CC6=CC=CC=C6 | C3C236FDFB22662B_403CB3AAF4378C3E_6031_UN | 40 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=NC4=C(C=CC=C4)S5 | 1068BA29F11902B8_DC0E8C28C063BDAD_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(Cl)N=C5C=CC=C[N]45 | AE2388BB3543C840_8A4557B0521C3449_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=CC=C(C=C4)F | 1D977106D699D367_0DB5DEB3958A29C8_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNC4=NC=CC=C4 | 05F2223F2BEE4951_5CA371D69217E821_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC6=C([N]4CC5=CC=C(C)C=C5)C=CC=C6 | 523E0C3C09F9E367_2884F8CB869FC17E_6031_UN | 37 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]4N=C(C)C=C4C | 6D1E6C08E532822E_1F13A1FF209D6163_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C(OC)=O)CC4=CC=CC=C4 | D01B7570738F0AD8_8274B9AB3408740C_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]5N=C(C4=C(C)C=CC=C4)C=C5N | E8751BC019C5BA47_7D35808C7E07C0FD_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4=C(OC)C=C(C=C4)CN | A4F021AFF62A8B3C_4836287CB6EAFDFA_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4=C(OC)C=CC(=C4)N | 338BFB4BAA80B371_C2DAE0EB2F60DED7_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCC(N)CC4 | E77F2E4232313710_AF029F37E3A5D003_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC4=C(OC)C=CC=C4 | C3191FCF48C49953_6D5FD5FACC90A8E3_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNC4=CN=C(OC)C=C4 | 22B42E64C33A09CD_BC123D31E3E82C7C_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]5N=C(C4=CC=CC(=C4)OC)C=C5N | 141CC724FB31E6E4_18D0200EC695FF82_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[N](N=C4)CC5=CC=CC=C5 | B72F7EBCDD8817E2_5772EE54FFBC65BF_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[N](N=C4)C5=CC=CC=C5 | 552F33FF3BBEE862_6EAAFBFEF5BDA7A5_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=CC4=C([N](C)N=N4)C=C5 | 42D15488E1932674_86AAB26CE1A1D062_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=NC4=C(C=CC=C4)[N]5C(F)F | 9D87BB84C24DE418_929EA8FBDF61A980_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CSC(=N4)C5=CC=C(OCC)C=C5 | 0CD5C149BFF42131_78E86F20F50EF297_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=CC(=O)N4C=CSC4=N5 | BB3ACB180391BAE6_680109E0F7F93E13_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC56CC4CC(CC(C4)C5)C6 | 9DD0A97CBACD1F43_F30B136D82686EF2_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC5=CC4=C(C=CC(=C4)Br)O5 | 43A29B2C49A68604_801FB7336654A88E_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCC(CCCC)CC4 | 2CAD8553778687F3_4966554CC4775E6F_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC5=C([N]4CCCCC)C=CC=C5 | A181F39D1AE6F3A0_BA7DE89F25A6632F_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=NC4=C(C=CC=C4)[N]5CC6=CC=CC=C6 | CB9A700B6556EB8B_57BE73DEE3C060CC_6031_UN | 36 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(N)C=C4 | AAEFC88D8366C5BC_E6CC6B315A38976F_6031_DP | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=NC=C4)Cl | 6E558D15F94E5C7A_3A8F21CDB8158F03_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(N)CCCCC4 | 9995E43F348B806B_49D8037F24EB5FD5_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=C[N]4CC | FD3943B641309B1E_84930AD6D7F46ABF_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[NH]C5=C4C=C(C=C5)Br | BBEAFCE221E265EA_91DC46A651B0C2ED_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=NC4=C(C=CC=C4)[N]5CC6=C(C=CC=C6)F | E6F9141017C32D3F_8AAC9BB1C8F4D98C_6031_UN | 37 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=NC4=C(C=CC(=C4)C)[NH]5 | 44BEE426A858EA89_51C3CB71A1607EA1_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC5=C(C(OCC)=O)[N]4N=CC(=C4N=C5)C#N | CC96A786FE140D3E_228A2655F9D5FC3E_6031_UN | 38 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC5=C(C(OCC)=O)[N]4N=C(C=C4N=C5)C | 95255A6ED5E5D001_56D3A5EA4FB2270F_6031_UN | 37 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCNCCCCCCC | B870D4E55AFA295D_12FB512F4775C40A_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)N5CCCC5 | 3854FD310B155E8D_4969639E7E56D836_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=NC4=C(C=CC=C4)[N]5CC6=CC=C(C=C6)Cl | A72D8231ADF2150A_86696F6210D08FCE_6031_UN | 37 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC5=C([N]4C)C=CC=C5 | 4F5B5CC6B859F9C5_7732A150A56DD4E5_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC5=C([N]4CC)C=CC=C5 | FB2C60B18790EA63_B53341E892703C8E_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC5=C([N]4CCC)C=CC=C5 | 524EE3FF81A903BC_16FC6F5CB141FFD7_6031_UN | 32 |
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