product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"92DA277FF76DE84E_052FC303B309998A_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC2=C(N=N1)C=CC=C2" | 21 | "637509AE39023DDD" |
"B905B4CCD56D237F_21BE436F602C9C0B_6031_UN" | "CN(C)CCCCC(=O)OCCC(C)(C)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"56C6DD6E32A97657_3DD34A45C451A383_6031_UN" | "CN(C)CCCCC(=O)OCCOC1(CN)CCOCC1" | 21 | "637509AE39023DDD" |
"5E062CFE4E262FA2_8DE6ABEBD4B3AB44_6031_UN" | "CN(C)CCCCC(=O)OCC1(N)CC2=C(C1)C=CC=C2" | 21 | "637509AE39023DDD" |
"306B54B667373EA6_6CCA66B383F983F8_6031_UN" | "CN(C)CCCCC(=O)OCC(N)C1=C(C(=CC=C1)Cl)F" | 21 | "637509AE39023DDD" |
"834A1B0BB840EA23_9EAE6AF49C33868A_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(C=C(C=C1)Br)O2" | 21 | "637509AE39023DDD" |
"D367A8295DB07310_5E29AA0FA7FAF998_6031_UN" | "CN(C)CCCCC(=O)OCC(CN)C1=CC=C(C=C1)Cl" | 21 | "637509AE39023DDD" |
"F9DC40A347888E50_50C168079F90D9D6_6031_UN" | "CN(C)CCCCC(=O)OCC1C(CCNC1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"93B719D58B467959_3ED7616AEEBA5FA3_6031_UN" | "CN(C)CCCCC(=O)OCC(C)(N)C1=CC=C(C=C1)Br" | 21 | "637509AE39023DDD" |
"C21F0D6CF163835E_04A92F721E61E301_6031_UN" | "CN(C)CCCCC(=O)OCCCOC1=CC=C(N)C=C1" | 21 | "637509AE39023DDD" |
"965D4197C5253AB3_EE95142610594BC5_6031_UN" | "CN(C)CCCCC(=O)OCC=CC1=CC(=CC(=C1)Cl)Cl" | 21 | "637509AE39023DDD" |
"7C7247C30553C330_B8B89C0D904211C9_6031_UN" | "CN(C)CCCCC(=O)OCC(CN)C1=CC(=CC=C1)Cl" | 21 | "637509AE39023DDD" |
"A2A18486EAAF3928_9381FBEF7D150FC3_6031_UN" | "CN(C)CCCCC(=O)OCC(C)(CN)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"F03BA7793D18003F_56C2F4E9C5DA31AB_6031_UN" | "CN(C)CCCCC(=O)OCC1CCN(CC(F)F)CC1" | 21 | "637509AE39023DDD" |
"2FE5192262CED0F5_4D91E2C0850243B3_6031_UN" | "CN(C)CCCCC(=O)OCCC2=C[N]1C=CC=CC1=N2" | 21 | "637509AE39023DDD" |
"585708F150A1002B_AF967449A10C2DDB_6031_UN" | "CN(C)CCCCC(=O)OCCOC1(CCOCC1)C#N" | 21 | "637509AE39023DDD" |
"5F368629D2AA54F0_D37BA28E828FAAAF_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC1=C(C=CC(=N1)Cl)O2" | 21 | "637509AE39023DDD" |
"B174C2185BC9A7F1_747C32A7C47D8913_6031_UN" | "CN(C)CCCCC(=O)OCC=CC1=CC(=C(C=C1)F)F" | 21 | "637509AE39023DDD" |
"22E15167421D9018_6A385D279618EDA0_6031_UN" | "CN(C)CCCCC(=O)OCC(C)(C)C(N)C1=CC=CS1" | 21 | "637509AE39023DDD" |
"DAB521FE70F86377_6815EF31976272F4_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C([S](C)(=O)=O)C=C1" | 21 | "637509AE39023DDD" |
"9E09BE0D8CF1977E_9900D86CE6CF90AA_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(OC)N=C(C=C1C)C" | 21 | "637509AE39023DDD" |
"7F77456550958F34_9D3BE6DF56249F64_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=NC=C1)OC(C)C" | 21 | "637509AE39023DDD" |
"9B232841383DFB49_616A60756F00CB86_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC(=CS1)C(OCC)=O" | 21 | "637509AE39023DDD" |
"BFC63A3BA49003CB_158FF000B39BF011_6031_UN" | "CN(C)CCCCC(=O)OCC(C1(OC)CCC1)N=[N]#N" | 21 | "637509AE39023DDD" |
"9265EBE4E04934CC_F65D476EDE363E37_6031_UN" | "CN(C)CCCCC(=O)OCC1=C([S](C)(=O)=O)C=CC=C1" | 21 | "637509AE39023DDD" |
"27FB2B9A61E1B222_8CF55F485F302959_6031_UN" | "CN(C)CCCCC(=O)OCC1OC2=C(OC1)C=CC=N2" | 21 | "637509AE39023DDD" |
"534C5DD4044E2C09_FFE4A2CA8A5A4AFB_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=CC(=C1)I)[N](=O)=O" | 21 | "637509AE39023DDD" |
"8889BF910C7A4C7A_113E55079F331C2C_6031_UN" | "CN(C)CCCCC(=O)OCC1=N[N](C)C(=C1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"BF6B7315F0E73DC6_54AE95E11851B480_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=N[N]1C2CCCC2" | 21 | "637509AE39023DDD" |
"C17F9A6DDE61AECA_A36DEC45032C3864_6031_UN" | "CN(C)CCCCC(=O)OCC[N]1C=CC(=N1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"9FBA43B1F4384E49_29057499E908B377_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(N=C(C(C)C)C=C1)C" | 21 | "637509AE39023DDD" |
"2BADDBA631424A22_D629118077A48502_6031_UN" | "CN(C)CCCCC(=O)OCC1=NOC(=C1)C2=CC=CS2" | 21 | "637509AE39023DDD" |
"F1B7D2EA7DCB6E89_E2E034B49153297A_6031_UN" | "CN(C)CCCCC(=O)OCC2(C(N)C1CC1)CCCO2" | 21 | "637509AE39023DDD" |
"49ECC6E270658F57_A50810F82309A0D2_6031_UN" | "CN(C)CCCCC(=O)OCC1=NOC(=C1)C2=CC=CO2" | 21 | "637509AE39023DDD" |
"DAA34900C0E14D2D_7AB5DE1548E850AF_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C(C)C=C1)[N](=O)=O" | 21 | "637509AE39023DDD" |
"65E3A95B90CB25C9_ED3E279582C90C6A_6031_UN" | "CN(C)CCCCC(=O)OCC1=C[N](N=N1)C2CCNC2" | 21 | "637509AE39023DDD" |
"E21430E9181FEA3F_A65B22B17AC2EB19_6031_UN" | "CN(C)CCCCC(=O)OCC1=N[N](C=C1)CC(F)(F)F" | 21 | "637509AE39023DDD" |
"68F98601176EB3C9_D893454347B8DD73_6031_UN" | "CN(C)CCCCC(=O)OCC[N]1C=C(Cl)C(=N1)[N](=O)=O" | 21 | "637509AE39023DDD" |
"1780AC5BA5BAF5F1_F4EA1F2FC7C4AB86_6031_UN" | "CN(C)CCCCC(=O)OCC1=C[N](N=C1)CC(F)(F)F" | 21 | "637509AE39023DDD" |
"140036D44FB5E6EA_CA782071B324182C_6031_UN" | "CN(C)CCCCC(=O)OCC1(NC(C)C)CCNCC1" | 21 | "637509AE39023DDD" |
"FA92346CCC4069B6_45FF75D045A631EE_6031_UN" | "CN(C)CCCCC(=O)OCC(NC)C1=CC=C(C=C1)Cl" | 21 | "637509AE39023DDD" |
"8BB9E2E213F83DDC_7FDDC56FB4571D11_6031_UN" | "CN(C)CCCCC(=O)OCCOC1=C(C=C(C=C1)Cl)Br" | 21 | "637509AE39023DDD" |
"F9069936824C0395_D6D3172B97DD6298_6031_UN" | "CN(C)CCCCC(=O)OCCCN(C)C1CCNCC1" | 21 | "637509AE39023DDD" |
"5F424D48256E5485_7DF9C302F1670C0C_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(N(C)C)N=CN=C1Cl" | 21 | "637509AE39023DDD" |
"4DD57686B5F6F2A3_3A1B4EB902C87D29_6031_UN" | "CN(C)CCCCC(=O)OCC2=C1C=CC=CC1=CN=C2" | 21 | "637509AE39023DDD" |
"1EB8F3E0609596D0_17BC2E9E0F563926_6031_UN" | "CN(C)CCCCC(=O)OCCCC(N)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"C659411E7D2EB713_418844DFC708F91F_6031_UN" | "CN(C)CCCCC(=O)OCC(F)COC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"E442803A082A7D08_10AB235E12D6F976_6031_UN" | "CN(C)CCCCC(=O)OCCC(C(OC(C)C)=O)(C)C" | 21 | "637509AE39023DDD" |
"004810323CF02529_A8A2543368E94BAF_6031_UN" | "CN(C)CCCCC(=O)OCCCCC1=CC=C(N)C=C1" | 21 | "637509AE39023DDD" |
"C3F775C8D6A26847_7DCB2399BBB64F8B_6031_DP" | "CN(C)CCCCC(=O)OCCC1=C[N](CC(O)=O)N=N1" | 21 | "637509AE39023DDD" |
"CBFD6301439A50B2_F608C07917CC12C0_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC1=C(C=CC(=C1)N)O2" | 21 | "637509AE39023DDD" |
"2CE5EEB09E2ED3FF_787710B953FAF77B_6031_UN" | "CN(C)CCCCC(=O)OCCNC1CC(OC(C)C1)C" | 21 | "637509AE39023DDD" |
"85510493F166A78D_C8F0F7351150BB75_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC(=C(C(OC)=O)S1)C" | 21 | "637509AE39023DDD" |
"0053D80C998A2DF5_F67CD438CF184B0E_6031_UN" | "CN(C)CCCCC(=O)OCCNC1=C(OC)C=CC=C1" | 21 | "637509AE39023DDD" |
"BFBE1FEF56C3AB95_2DD674A7E765CE88_6031_UN" | "CN(C)CCCCC(=O)OCCN1CCC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"734A69875FF8DAC0_CA9411B97321986F_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC=C1OCCCC1=C2" | 21 | "637509AE39023DDD" |
"F12F9BB5B4DA6422_A3852A0FE327C208_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(C=C1)SCC#C" | 21 | "637509AE39023DDD" |
"DECDD46D45331A48_F0EEF5642F497216_6031_UN" | "CN(C)CCCCC(=O)OCC1=C([N](N=C1C)C(F)F)C" | 21 | "637509AE39023DDD" |
"AA56F8246E8193AE_0A6AD307E9021A75_6031_UN" | "CN(C)CCCCC(=O)OCCCN(CC)CC(F)(F)F" | 21 | "637509AE39023DDD" |
"D815931E785317C7_9179B4F706F315DE_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(C=C1)OCC#C" | 21 | "637509AE39023DDD" |
"CB909C484B9BF84A_C81655A2A3252CCD_6031_UN" | "CN(C)CCCCC(=O)OCC(C)NCC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"9A4E923F41357694_059D202E5A698553_6031_UN" | "CN(C)CCCCC(=O)OCC(C)C1=CC(=C(C=C1)Cl)Cl" | 21 | "637509AE39023DDD" |
"FE6773F0F67AD0EF_CA3C9E9145C4B33B_6031_UN" | "CN(C)CCCCC(=O)OCCCCN1C(=O)CSC1=O" | 21 | "637509AE39023DDD" |
"3C3651F9A0BD2045_C67B7F0F6A3331AB_6031_UN" | "CN(C)CCCCC(=O)OCC2CC1=C(C=CC(=C1)F)O2" | 21 | "637509AE39023DDD" |
"8779960C906EEBB4_7FD8E561B67A153D_6031_UN" | "CN(C)CCCCC(=O)OCC(NC)CC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"DED3D5B81151BFDC_32F966FD1A836728_6031_UN" | "CN(C)CCCCC(=O)OCCC(CN)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"B3A929B947327E68_14CAB17749A28413_6031_UN" | "CN(C)CCCCC(=O)OCC1=NN=C2C=CC(=N[N]12)Cl" | 21 | "637509AE39023DDD" |
"79C8846408F84058_36E46FC2B0E1BD2C_6031_UN" | "CN(C)CCCCC(=O)OCCN[C@@H](C)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"1B05A1E7F4AD5369_2C05E194DFAAF762_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=CC=C1)OCC#C" | 21 | "637509AE39023DDD" |
"4B703C61C51B03F1_B8AA3352E54ADD3B_6031_UN" | "CN(C)CCCCC(=O)OCCC1=C(C=CC=C1)[N](=O)=O" | 21 | "637509AE39023DDD" |
"DF0436688359566D_AA7F6B65F58B66D2_6031_UN" | "CN(C)CCCCC(=O)OCCCC1=C(C=CC=C1F)Cl" | 21 | "637509AE39023DDD" |
"E26C50F272EFF1E5_10FB84F6868D3C8A_6031_UN" | "CN(C)CCCCC(=O)OCCCNC1=C(N)C=CC=C1" | 21 | "637509AE39023DDD" |
"63258C977D6B3D26_04D233FEFBE27D66_6031_UN" | "CN(C)CCCCC(=O)OCCNCCN1CCOCC1" | 21 | "637509AE39023DDD" |
"2C47BD3CEBD7307C_34D0BA74531F663B_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(OCC)C=CC(=C1)N" | 21 | "637509AE39023DDD" |
"031D194BE7F27109_B49D19DB0ED47402_6031_UN" | "CN(C)CCCCC(=O)OCC(OC)CC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"E7FFA9F9EBD17320_FD92690EC00ECC28_6031_UN" | "CN(C)CCCCC(=O)OCCC1=C[NH]N=C1C(F)(F)F" | 21 | "637509AE39023DDD" |
"EBC5D30AF6C87F01_E48BC83902EEB5BA_6031_UN" | "CN(C)CCCCC(=O)OCC1=N[N](C=C1)C2CCCC2" | 21 | "637509AE39023DDD" |
"FD27E2FC77EF6989_4B8FA0447F0E05A4_6031_UN" | "CN(C)CCCCC(=O)OCCCCCC1(C)OCCO1" | 21 | "637509AE39023DDD" |
"13A3CD23F042A827_3A242DD1A79D0F9D_6031_UN" | "CN(C)CCCCC(=O)OCCCNC1=CC=C(C=C1)Cl" | 21 | "637509AE39023DDD" |
"208A358B9B8B4A44_8B77456AD848F256_6031_DP" | "CN(C)CCCCC(=O)OCC(CN)C1=CC=C(C=C1)F" | 21 | "637509AE39023DDD" |
"B152A3F646AEADAF_205152165AD047C6_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=CC(=C1)[S](C)(=O)=O" | 21 | "637509AE39023DDD" |
"5CBEB189E9EB3CD6_88C87E55F6C2C171_6031_UN" | "CN(C)CCCCC(=O)OCC1(C(C(C)C)N)CCCC1" | 21 | "637509AE39023DDD" |
"208A358B9B8B4A44_285BAF17A6605956_6031_UN" | "CN(C)CCCCC(=O)OCC(CN)C1=CC=C(C=C1)F" | 21 | "637509AE39023DDD" |
"586E16F2EF619066_3A15B494FBA7C8DB_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=CC=C1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"1A5384F239AA4929_DA4E3A21D146D322_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC2=C(N=C1)C=CC=C2" | 21 | "637509AE39023DDD" |
"E7E99F2341C2A617_336AFF081FD5B0EF_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C(C(OC)=O)O1)C" | 21 | "637509AE39023DDD" |
"2697DFD505049EC1_DB6DA2E324C3EA6B_6031_UN" | "CN(C)CCCCC(=O)OCC1(CNC1)C2=CC=CC=C2" | 21 | "637509AE39023DDD" |
"F710EB989576A0E1_FE0CB98E36D88BDC_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=C(C(=C1F)F)F)Br" | 21 | "637509AE39023DDD" |
"95BDA5948BD1C1BC_16FDE1FC1B5A2F8D_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(C(C)(C)C)C=C1" | 21 | "637509AE39023DDD" |
"615F5831D7AC6EC5_5FC8E22638C6B199_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=C(C=C1)N=[N]#N)F" | 21 | "637509AE39023DDD" |
"F240D595D927513F_04A49D534F0F5A8D_6031_UN" | "CN(C)CCCCC(=O)OCC1(C(C(C)C)N)CC=CC1" | 21 | "637509AE39023DDD" |
"7AA4F164F3D6CD21_BCA1915171B51A8E_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(N=C(SC)N=C1Cl)Cl" | 21 | "637509AE39023DDD" |
"9A6B3F42D00A6460_1F4BE24E99288571_6031_UN" | "CN(C)CCCCC(=O)OCCOCC1=CC=C(N)C=C1" | 21 | "637509AE39023DDD" |
"FC23FB7AF7E380A6_A04E9F15921E7311_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC1=C(C=CC(=C1)F)[NH]2" | 21 | "637509AE39023DDD" |
"08A39B8CF423E556_0C5FF238C06E03A2_6031_UN" | "CN(C)CCCCC(=O)OCCNC1=CC(=C(C=C1)F)F" | 21 | "637509AE39023DDD" |
"CBA8A7B642FC5B9D_8FD84AD6AA45D79A_6031_UN" | "CN(C)CCCCC(=O)OC[C@]1(C)C[C@H]1C2=CC=CC=C2" | 21 | "637509AE39023DDD" |
"43E84F4A13BF81A6_07A71B1145907D37_6031_UN" | "CN(C)CCCCC(=O)OCCC1=NOC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"6A903EF87CC656B4_5DE792BB403CD6F0_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=C(OCC)C=C1)C" | 21 | "637509AE39023DDD" |
"BDA3DA4D508B099C_3C560D9F9A59459B_6031_DP" | "CN(C)CCCCC(=O)OCC1=CC=CC2=C1CNCC2" | 21 | "637509AE39023DDD" |
"E27827EA422E366D_D0EA6A7AC0A5443F_6031_UN" | "CN(C)CCCCC(=O)OCC(=CC1CCC(C)CC1)C" | 21 | "637509AE39023DDD" |
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