product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"2E5AC874D17A4E7B_2B64C3834DA94884_1031_UN" | "CC3=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)N=N[N]3C" | 21 | "B4FF760C6E90943F" |
"5A0F2E88C9CAAF71_6CEC7217D3D84802_1031_UN" | "[N]2(CCCC1=N[NH]C=C1)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "B523875A0A996725" |
"DC101A28BE69AEDC_8E058940D0B5E9EC_2218_UN" | "CC1=CC(=C(C)[N]1C2=CC(=CC(=C2)C)C)CC3=N[NH]N=N3" | 21 | "B52E23673F8E28C8" |
"3504CA9B210513A4_69430FA5C36C1B61_6016_UN" | "C[S](=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "B54700208F98D3EE" |
"E5F2B4B7DA22A4AB_6943DB680F73E245_6016_UN" | "CC1=CC(=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O" | 21 | "B547D4ED43872ACA" |
"E1BADC4E8F5004F7_A0B4E85847B53A45_6016_UN" | "CN(C)[S](=O)(=O)NC1=C(C=CC=C1)C(=O)C2=CC=CC=C2" | 21 | "B56071E646912A69" |
"94E206446307B64E_2AF5F690191225F3_1031_DP" | "N1CCC[C@@]1(C)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "B56E431F3A2BF948" |
"FAF384AF0D52E41F_69826845B5636641_6016_UN" | "FC1=C(C=C(C=C1)CC#N)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "B58667C0F997AECE" |
"CB8B9CA92B6DC09C_699A8FA82BFFDA87_6016_UN" | "COC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C#N" | 21 | "B59E802D670B1208" |
"5D19338643E93AD6_699BAFC2F274D43D_6016_UN" | "NC(=NO)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "B59FA047BE801CB2" |
"598FCFCAD6A9EDAD_D2B749021F7C0063_6043_UN" | "OC(=O)CCC1=NC(=NO1)C2=CC(=CC=C2)N[S](C)(=O)=O" | 21 | "B5A701B7BFDFF340" |
"DF9783AA12777403_2A5B8EC1F39B7917_1031_UN" | "[N]2(CC1(CC1)C(=O)O)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "B5C03B4ED0A2A5AC" |
"4E03DE85A7C0AF3B_8EEC1F9F9C9ED60B_2218_UN" | "CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=N[NH]N=N2" | 21 | "B5C7B5B873A5172F" |
"A68ACFBB2DBC6F7F_2A530C77BBF31FA0_1031_UN" | "CC1(C(C1)(Cl)Cl)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "B5C8B9F898CAC31B" |
"84EFDB19BC2B7DEC_A01BBDA33988CDC6_6016_UN" | "NC1=CC=N[N]1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3" | 21 | "B5CF241D38ACDDEA" |
"3954F2F2DE8A037F_69EFE079F765DB67_6016_UN" | "COC1=C(N=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C#N" | 21 | "B5EBEFFCBB9113E8" |
"EE7D0A5A1FAA2CA6_A3DC2B16F6A0F935_6016_UN" | "CC(O)(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(F)(F)F" | 21 | "B608B2A8F784E919" |
"FD608CFEC6985D4A_6FE79EB546D197DD_1031_UN" | "[N]2(CCC1=CN=CN=C1)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "B6286BF89F90B8FA" |
"68581549A558ECCC_A3978E07FAFA5C9B_6016_UN" | "CC1(CCNCC1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3" | 21 | "B64317B9FBDE4CB7" |
"73F26644E5B18136_A380F2EA1A5D8388_6016_UN" | "C1(=CC=C(C=C1)C2CCCC(=O)N2)C(=O)C3=CC=CC=C3" | 21 | "B6546B541B7993A4" |
"4443672E768755FE_2904CC0409E7E021_1031_UN" | "CC1=C(SC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C" | 21 | "B69F798B2ADE3C9A" |
"608CBECEF51ACDEB_6F67C09615A78128_1031_UN" | "CC(C)(C)C(O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "B6A835DBCCE6AE0F" |
"2B25B4DA057D384C_6F63DE77BB70D31A_1031_UN" | "C[C@H]1N[C@H](CCC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "B6AC2B3A6231FC3D" |
"9D63ACB4C5E228C1_6F7CA8AC1FCAA18B_1031_UN" | "[N]3(C1=NC=C2CCC[N]12)C(=C(C(=C3C)C(OCC)=O)C)C" | 21 | "B6B35DE1C68B8EAC" |
"7697FAF3DFC494C0_2925DB887AFE09C3_1031_UN" | "[N]2(OC1CCCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "B6BE6E0759C7D578" |
"63DE734EC46153C6_6EEB485D64E43778_1031_UN" | "C[N]1C=C(C#N)C(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "B724BD10BDA5185F" |
"C84700A42FE78427_A2E0394EFF40B634_6016_UN" | "C1(=CC=C(C=C1)C2CC[S](=O)(=O)N2)C(=O)C3=CC=CC=C3" | 21 | "B734A0F0FE64A618" |
"3EB941DA4447C69D_6B406B7BE7B7EC5E_6016_UN" | "CC4=CC1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)O4" | 21 | "B74464FEAB4324D1" |
"59A2732902A697D0_6E9C4CCE4F5C2F4B_1031_DP" | "CCCC(CCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)N" | 21 | "B753B983961D006C" |
"AA5D53040D82F58A_6B50CB66C09E257E_6016_UN" | "CC1=C(C(=CC(=C1)C#N)C)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "B754C4E38C6AEDF1" |
"7B8C63006781117F_A2812B0CDF99D77F_6016_UN" | "CCC(O)(C(=O)N)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2" | 21 | "B755B2B2DEBDC753" |
"1FB382ECB76281D3_6E94DCF3D23C9369_1031_UN" | "[N]2(CCC(O)C1CCC1)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "B75B29BE0B7DBC4E" |
"1BD905CD71217A80_2814987B9A35F70C_1031_UN" | "CCC3=CN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)[NH]3" | 21 | "B78F2DF4B90C2BB7" |
"D2D4AD7A36CC6024_280EFB15BE2F1693_1031_UN" | "[N]2(CC1=C(SC=C1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "B7954E9A9D16CA28" |
"2EDBC7E9685507E6_113DA4A7D4FCB83A_7019_UN" | "FC1=CC(=CC(=C1)C=CC)C2=C(C(=C(C(=C2F)F)F)F)F" | 21 | "B7BB28DE2E0FBC55" |
"D91E36C6DC88C33E_A20847AD187AF7C2_6016_UN" | "O=[N](=O)C1=CC(=C(C=C1)C(F)(F)F)C(=O)C2=CC=CC=C2" | 21 | "B7DCDE13195EE7EE" |
"AA193BD835A66CA4_6E11B10E4226C485_1031_UN" | "COCC2=NN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2" | 21 | "B7DE44439B67EBA2" |
"9269103185D208E6_6420344321B5AFC1_6016_UN" | "NCCC1=C(C=CC(=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "B8243BC66D41674E" |
"989700B61BDAECC8_618E9EC8F024F0A1_1031_UN" | "[N]2(C1=C(C=C(C=N1)O)F)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "B8416B852965DF86" |
"9B07C682AD111008_6186185EC3A21EC3_1031_UN" | "C[C@H]1[C@](C1)(C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C(=O)O" | 21 | "B849ED131AE331E4" |
"8EBADEBB023228D8_61A5668EAFBD3B3A_1031_UN" | "COC(=O)N(C)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "B86A93C376FC141D" |
"ACF4E3EBBF7CB043_6147471CDC5BA47F_1031_UN" | "CC(=O)C2=CN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2" | 21 | "B888B251051A8B58" |
"272579C0ADEB54AE_27153A09E5F4BD6A_1031_UN" | "[N]2(CC1C[S](C1)(=O)=O)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "B88E8F86C6CD61D1" |
"8F1FADE0E8DD8420_83B847DAD6096E95_2218_UN" | "CC1=CC(=C(C)[N]1C2=CC=C(C=C2)C3=N[NH]N=N3)C(=O)O" | 21 | "B893EDFD3932AFB1" |
"ABE715BF119B482C_2721075A7F130600_1031_UN" | "[N]2(CC1CCC=CO1)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "B8BAB2D55C2ADABB" |
"F73918E5F3764219_275504E531697A02_1031_UN" | "C[N]1C=C(Cl)C(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "B8CEB16A1250A6B9" |
"9E115959B6546417_64D31A10BC9645BE_6016_UN" | "C1(=CN=C(S1)C2OCCO2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "B8D71595F0628D31" |
"EADFF407F64B1AE8_6125E2604AFB42DE_1031_UN" | "CC(C)C2=CN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2" | 21 | "B8EA172D93BA6DF9" |
"5A826DE0B404078E_83DEAD5DFBB75389_2218_UN" | "CCOC=C(C1=N[NH]N=N1)C2=NC(=CS2)C3=CC=CC=C3" | 21 | "B8F5077A148C92AD" |
"B98F5F22D56AA1ED_ACDC7F3320EEB5CB_6016_DP" | "N4CCC1(CC[N]2C(=CN=C12)C(=O)C3=CC=CC=C3)CC4" | 21 | "B908E68D21CAA5E7" |
"18330D06361E200C_DE2AB50109484DB4_6043_UN" | "OC(=O)C=CC1=CC=C(O1)C2=CC=C(C=C2)N[S](C)(=O)=O" | 21 | "B93AFDB4A9EBBE97" |
"762D0761EDBF3DEB_26D28DA4B2ED2958_1031_UN" | "C[Si](C)(C)OCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2" | 21 | "B949382B91D4F5E3" |
"5005939819D13C60_826538BDC0EB17CF_2218_UN" | "N4=C(C1=CC=C(C=C1)N3CCC2=C(C=CC=C2)C3)N=N[NH]4" | 21 | "B94E929A2FD0D6EB" |
"9F8CFC24EB4C40F9_8277168A6F111369_2218_UN" | "O=[N](=O)C1=NC=C(C=C1)OC2=CC=C(C=C2)C3=N[NH]N=N3" | 21 | "B95CBCAD802AD24D" |
"3C5A8B8A67462CE3_65690C3B66DC93D2_6016_UN" | "NC(=O)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl" | 21 | "B96D03BE2A285B5D" |
"BFCDCCAA275CF7A1_ACBBFA03B1AA941B_6016_UN" | "CC1=C(C=C(C=C1)C2=N[NH]C=C2C(=O)C3=CC=CC=C3)C" | 21 | "B96F63BDB08E8437" |
"DDEBDAC0ACA7A928_26303DEF1279ABF1_1031_UN" | "[N]2(C[C@@H]1CCCNC1)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "B9AB88603140774A" |
"27D3F53CBE834604_65B034654E231D9A_6016_UN" | "C[C@@H](N)C1=C(C=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "B9B43BE002D7D515" |
"700C73019D8411E5_601CD17B906BE7AC_1031_UN" | "CCN(CC)C(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "B9D32436492AC88B" |
"14979E0EC4F3AD9B_603E7AFCC83B64E6_1031_UN" | "[N]3(C[C@@H]1C[C@H]2C[C@@H]1C=C2)C(=C(C(=C3C)C(OCC)=O)C)C" | 21 | "B9F18FB1117A4BC1" |
"8DE2A444C1FFFDC4_E2FEE38149CD1DBB_1171_UN" | "N1=C(SC=C1C2=CC=C(C=C2)Br)C3=CSC=C3C(F)(F)F" | 21 | "BA17142CFBD4B66E" |
"7A59BCDD3D34D51E_AF907C8117EF85B6_6016_UN" | "CC(NC(=O)C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O" | 21 | "BA44E53F16CB959A" |
"03183A068667FC9A_639627A0E4C346A5_1031_UN" | "C[S](=O)(=O)CCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "BA59D2ED3D826982" |
"AEE77C0D52C14922_634C3F1A79FF1E34_1031_UN" | "CC(F)(F)[C@H]1[C@@H](C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "BA83CA57A0BE3113" |
"4C79977DC1CACE1A_63447FE5E81C55D5_1031_UN" | "CNC(=O)COCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "BA8B8AA8315D7AF2" |
"92C3557D54FD6684_81B24B45CFE00FE9_2218_UN" | "OC(=O)C1=CC(=CC=C1)NC2=CC=C(C=C2)C3=N[NH]N=N3" | 21 | "BA99E16220DBCECD" |
"17B9E528C1630044_63744ECE4329956E_1031_UN" | "CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCCO" | 21 | "BABBBB839A68BA49" |
"54CA7F1A132E355E_63143FCE73E5031D_1031_UN" | "COCC1=CSC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "BADBCA83AAA42C3A" |
"1BE1B151B84BA511_66F738F8EF4F8366_6016_UN" | "NC1=NC(=C[N]2C=CN=C12)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "BAF3377DA3BB4BE9" |
"A3CFD23F52A58007_670A596C6440BE26_6016_UN" | "FC1=C(C=C(C(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C#N)F" | 21 | "BB0E56E928B476A9" |
"023988F41882FF8A_62EB635AD4FDC291_1031_UN" | "CC1=C(C=CN=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C)Br" | 21 | "BB2496170DBCEDB6" |
"39B2E7984F0AA1B5_24B6083DF0AB9B70_1031_UN" | "CC(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)N(C)C" | 21 | "BB2DBDB2D39247CB" |
"2F222DC72D018C8A_24A9BE6624E41883_1031_UN" | "CC1(C(C1)(F)F)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "BB320BE907DDC438" |
"6C82615DB4BE8F21_AEA3B7299A503604_6016_UN" | "CC1=C(C=CC=C1C(=O)C2=CC=CC=C2)CC(CN)CO" | 21 | "BB772E979B742628" |
"A27781FD1C1F93B3_AE4EC423FCFAEDB0_6016_UN" | "Cl[S](=O)(=O)C2=C1N=CC(=C[N]1N=C2)C(=O)C3=CC=CC=C3" | 21 | "BB9A5D9DFDDEFD9C" |
"0363A7B694ABCAB5_F30147FBBF264EF5_6008_UN" | "C1(=COC=C1)C2=CCCN(C2)C(=O)OCC3=CC=CC=C3" | 21 | "BBA6EA223D06A337" |
"5F3B3BF1DB26CEC9_627A4F27328F6DE0_1031_UN" | "[N]2(CCC1=CCCCC1)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "BBB5BA6AEBCE42C7" |
"A1CEFD058C585CC9_67BB3653ECFC1524_6016_UN" | "N[C@H]1[C@@H](C1)C2=CC(=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "BBBF39D6A008DDAB" |
"B6405551EA7CE129_620F6F187F413F97_1031_UN" | "[N]2(CCC1CCCOC1)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "BBC09A55A60010B0" |
"44E7EE4E9F28DC03_AE000AB2565ADECE_6016_UN" | "C1(=CC(=CC=C1)CN2CCCCC2)C(=O)C3=CC=CC=C3" | 21 | "BBD4930C577ECEE2" |
"F15B5D1BDB5A2D94_239C09E356A62C43_1031_UN" | "CCOCCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2" | 21 | "BC07BC6C759FF0F8" |
"CBC353BA14D89A38_65C608FB16B54081_1031_UN" | "CC1=CC(=C(C)S1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "BC09FDB6CFF46FA6" |
"55D65821A3A54FE1_602DB28512132949_6016_UN" | "OC(=O)C1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)F" | 21 | "BC29BD005EE7E1C6" |
"34AB1CCE6313B973_60378EDE69F2924F_6016_UN" | "OC(=O)C1=C(C=CC(=N1)F)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "BC33815B25065AC0" |
"7E8368E5B664536D_A99F2583C9953B6E_6016_UN" | "CC2=C1C=C([NH]C1=CC=C2C(=O)C3=CC=CC=C3)C(=O)O" | 21 | "BC4BBC3DC8B12B42" |
"B5C284B4991DABAE_609EE4E9BB4DD255_6016_UN" | "CC(=O)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F" | 21 | "BC9AEB6CF7B91ADA" |
"9ADE9EF432AF5FB3_233AC1BC63AC642B_1031_UN" | "CC3=NC=C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3" | 21 | "BCA174334095B890" |
"A4CA847C3DD3421A_E44E1393B93B947C_1171_UN" | "N1=C(SC=C1C2=CC=C(C=C2)Br)C3=C(C=CC=C3)[N](=O)=O" | 21 | "BCA7E43E0B223FA9" |
"CD64113A4781158F_232CC37DFF2EBB8D_1031_DP" | "OC3CC(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3" | 21 | "BCB776F2DC176736" |
"99FDE4F5EE8B80E9_607B85E8C6ABFBA2_6008_UN" | "C[N]1C=C(C=N1)C3=CC(=NCCC2=NC=CC=C2)C=CN3" | 21 | "BCC90A9E4039AFEF" |
"CC021025F8A0A7CB_650419F6AE723132_1031_UN" | "CN(C)C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2CC2" | 21 | "BCCBECBB77331E15" |
"36449F2612753354_6532D798C41174C8_1031_DP" | "NC1=CC(=NC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "BCFD22D51D505BEF" |
"4F602F2127EEB657_64C1E8DCA54261D2_1031_UN" | "[N]2(CC1N[S](CC1)(=O)=O)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "BD0E1D917C034EF5" |
"EB41A06A955C6095_A8CCFCE44A641CC3_6016_UN" | "NC1=N[N](C=C1C(=O)C2=CC=CC=C2)C3=C(C=CC=N3)Cl" | 21 | "BD18655A4B400CEF" |
"F45F41DF7D566361_228075F5436FCFDF_1031_UN" | "[N]2(CC1(CCC1)CF)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "BD1BC07A60561364" |
"3AA0EC03978DC8D6_64E85767A4064511_1031_UN" | "[N]2(C1=NN=C(O1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "BD27A22A7D476A36" |
"0D7AB550E6C65B13_64F87FF342EB34AB_1031_UN" | "[N]2(C1=NC(=CC=C1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "BD378ABE9BAA1B8C" |
"E88755DB8E5F6CC4_64B3FACAE7B85220_1031_DP" | "C[N]1N=C(CN)N=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "BD7C0F873EF97D07" |
"256C64B1ABEEDD41_6726634390CE646B_2238_UN" | "OC(=O)C1C4=C3CCN1C2(C(NC(=O)NC2=O)=O)C3=CS4" | 21 | "BD8AC6356B8D72E5" |
"E1D3727AD66776D5_223AF986B4F1B54C_1031_UN" | "[N]2(CC1=CCCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "BDA14C0997C869F7" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.