product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"A7BB051390D967F4_B6EFAE4C404DCDA1_6031_UN" | "CN(C)CCCCC(=O)OCC1=CN=C(O1)C2=CC=CO2" | 21 | "637509AE39023DDD" |
"BD909199BC14B798_5280649E1C0EEDF4_6031_UN" | "CN(C)CCCCC(=O)OCCN1CCC(CNC)CC1" | 21 | "637509AE39023DDD" |
"EAE5164BA1DBAD3A_C3697C0444EC4875_6031_UN" | "CN(C)CCCCC(=O)OCC2CC1=C(C=CC(=C1)Br)O2" | 21 | "637509AE39023DDD" |
"1D4900B6FF664D84_6A2770DBD2A6A4F6_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC2=C(C=C1)C=CC=C2" | 21 | "637509AE39023DDD" |
"D4EB1E893B74B3B8_5325951612FB32D6_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(CN(C)C)C=C1" | 21 | "637509AE39023DDD" |
"2FE9EC0720A06234_76EB4E6B7F45FA7B_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(C=C1)SC(F)F" | 21 | "637509AE39023DDD" |
"C568E9681085E710_D937C0BBC955C3A2_6031_UN" | "CN(C)CCCCC(=O)OCC2CNC1=C(C=CC=C1)C2" | 21 | "637509AE39023DDD" |
"CF5D5370CFEC908D_21316CA420F5FB1A_6031_UN" | "CN(C)CCCCC(=O)OCC(CCC)N1CCNCC1" | 21 | "637509AE39023DDD" |
"BE5509EF07280582_FA2D256DB5FAD808_6031_UN" | "CN(C)CCCCC(=O)OCCCOC1=CC=C(C=C1)Br" | 21 | "637509AE39023DDD" |
"740244FAEB9DC19F_FA9E504A5C66E717_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC1=C(C=CC=C1Cl)[NH]2" | 21 | "637509AE39023DDD" |
"061CD543223F68A5_69D3CD7F717FE894_6031_DP" | "CN(C)CCCCC(=O)OCC1CCCN1C(C(O)=O)=O" | 21 | "637509AE39023DDD" |
"890A19600E4E1EEA_8C1467E2DC321136_6031_UN" | "CN(C)CCCCC(=O)OCCCOC1=CC(=CC=C1)Br" | 21 | "637509AE39023DDD" |
"1DCCFBA232ACC8DA_5D5F9B7DD54084C5_6031_UN" | "CN(C)CCCCC(=O)OCC1OC2=C(NC1)C=CC=C2" | 21 | "637509AE39023DDD" |
"A2786D5153FFCB45_6F6F65D080EF23FD_6031_UN" | "CN(C)CCCCC(=O)OCCOC1=C(CN)C=CC=C1" | 21 | "637509AE39023DDD" |
"E9CB8F7D4BD3EDB8_1CC5DC471B56A8DB_6031_UN" | "CN(C)CCCCC(=O)OCC(C1=CC=C(OC)C=C1)C" | 21 | "637509AE39023DDD" |
"7D372A8986FF38B9_0A3C37BAC924413B_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(C(CC)C)C=C1" | 21 | "637509AE39023DDD" |
"BC0103D6EC243F18_6DF37050CE2B30E4_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(C=C1)OCC#N" | 21 | "637509AE39023DDD" |
"8E24F08F4FCD07FF_7CBBB6767FFBA4F9_6031_UN" | "CN(C)CCCCC(=O)OCC(NC)C1=CC(=CC=C1)Br" | 21 | "637509AE39023DDD" |
"A8241220E5D66C9D_D47C748DFCA85903_6031_UN" | "CN(C)CCCCC(=O)OCCOC(=O)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"8D37DB63F1A9F7E1_99A49221B6090CEA_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C(C=C1)[N](=O)=O)Cl" | 21 | "637509AE39023DDD" |
"BAD80705F908A28F_0B7EB55F6A2A1493_6031_UN" | "CN(C)CCCCC(=O)OCC(C1=CC=C(CC)C=C1)N" | 21 | "637509AE39023DDD" |
"54CC75C73C2D4CAC_B220FAE5FD73DD69_6031_UN" | "CN(C)CCCCC(=O)OCC(C)(CN)CC1=CC=CS1" | 21 | "637509AE39023DDD" |
"0CA97B07412C3C32_A631D9AC2FE60227_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C)N=C2[N]1N=C(C)S2" | 21 | "637509AE39023DDD" |
"56804C85567E705C_4C73BCBE9CFCF901_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=C(C=C1)[N](=O)=O)Cl" | 21 | "637509AE39023DDD" |
"A306B7C33331F713_0E12E064B083C6E6_6031_UN" | "CN(C)CCCCC(=O)OCC1=NN=C2C=C(Cl)N=C[N]12" | 21 | "637509AE39023DDD" |
"2885EB182A32AC21_BB5A3057FA3F17CC_6031_UN" | "CN(C)CCCCC(=O)OCCCC1=CC(=C(C=C1)Cl)Cl" | 21 | "637509AE39023DDD" |
"4A665D059BF9C9EF_E949D5948B43F237_6031_UN" | "CN(C)CCCCC(=O)OCC2COC1=C(C=CC=C1)O2" | 21 | "637509AE39023DDD" |
"E3DD372C61E0D513_385D5EEB9842484E_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=C(C=C1)[N](=O)=O)C" | 21 | "637509AE39023DDD" |
"86E5A9CC4942F1FE_4EFD44D10EC48E40_6031_UN" | "CN(C)CCCCC(=O)OCCC(N)C1=C(C=CC=C1)Br" | 21 | "637509AE39023DDD" |
"FEEB25117CD160CB_6B1A1E67BC50EA01_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(SCCC)C=C1" | 21 | "637509AE39023DDD" |
"E78914F28F038F1D_64F3F272B6A9ABA0_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=CC(=N1)C(OC)=O" | 21 | "637509AE39023DDD" |
"B6CF5F15B3591F32_A96036C15D9DFC61_6031_UN" | "CN(C)CCCCC(=O)OCC1=NN=C([N]1C)C2CCC2" | 21 | "637509AE39023DDD" |
"F3F7276C092624F1_E85C9F382AFE3C3B_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(C=CC(=C1)Br)[NH]2" | 21 | "637509AE39023DDD" |
"7F6DDD9271602B69_DC7240FD28604EF7_6031_UN" | "CN(C)CCCCC(=O)OCCCN1CCCCCCC1" | 21 | "637509AE39023DDD" |
"65E0F131CC36FE2C_C09B6E0852F147B3_6031_UN" | "CN(C)CCCCC(=O)OCC2=C1OCCC1=CC(=C2)Cl" | 21 | "637509AE39023DDD" |
"A4CBE510554BFF4B_8DC91F6B684817BF_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(SC(C)C)C=C1" | 21 | "637509AE39023DDD" |
"4FE5DF9B910826FD_5A2271A89ACE2BA7_6031_UN" | "CN(C)CCCCC(=O)OCC1CCC2(CC1)OCCO2" | 21 | "637509AE39023DDD" |
"00FE765A22B07D79_84087DEEC9EACC1B_6031_UN" | "CN(C)CCCCC(=O)OCC1CCOC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"541A5221D9D55D75_34DAF3FCFC6F9D75_6031_UN" | "CN(C)CCCCC(=O)OCCOC1=C(C)C=C(C=C1)N" | 21 | "637509AE39023DDD" |
"CB4367FC10B0175B_58A266F4599E7DE4_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=CC=N1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"D59B2041819B33C9_56423E53EECB7D1E_6031_UN" | "CN(C)CCCCC(=O)OCCCSCC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"6DD7FD550094B783_896DF8D66BA13696_6031_UN" | "CN(C)CCCCC(=O)OCCC1=CC=C(C=C1)[N](=O)=O" | 21 | "637509AE39023DDD" |
"7F5BB28D47474649_3A16325D30C12183_6031_UN" | "CN(C)CCCCC(=O)OCCN(C)C1=CC=C(C=C1)N" | 21 | "637509AE39023DDD" |
"EA75490814F7A3F6_C93C92DEFE4C45C9_6031_UN" | "CN(C)CCCCC(=O)OCCOC1CCCCC1CC" | 21 | "637509AE39023DDD" |
"C30C42EED0FD273F_543D3AB59FA1528B_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C)OC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"9ADEADA0931F51AA_9E1420631F315009_6031_UN" | "CN(C)CCCCC(=O)OCCCC1=CN=CC(=C1)OC" | 21 | "637509AE39023DDD" |
"4D8AA2A50011F6F0_2982A0DD96494FC3_6031_UN" | "CN(C)CCCCC(=O)OCCN1C(NC(C)(C)C1=O)=O" | 21 | "637509AE39023DDD" |
"CF644010405689CB_942FA8E6C6FE9EF9_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(OC(C)C)C=CC=C1" | 21 | "637509AE39023DDD" |
"40ECF2D09FADC4EE_F4ED3B3C41B053E4_6031_UN" | "CN(C)CCCCC(=O)OCC1(CC(OCC)C1(C)C)N" | 21 | "637509AE39023DDD" |
"BF410C16B2914135_86F2026B58D1E6A8_6031_UN" | "CN(C)CCCCC(=O)OCC2=C1C=CC=NC1=CC=C2" | 21 | "637509AE39023DDD" |
"CB17BF69D74AFC4D_77BC592CB72D71D1_6031_UN" | "CN(C)CCCCC(=O)OCC(C)NC1CCN(C)CC1" | 21 | "637509AE39023DDD" |
"A03C50CA6AD31E05_8CC5A462CBA47D76_6031_UN" | "CN(C)CCCCC(=O)OCCNC1(CCCCC1)C#N" | 21 | "637509AE39023DDD" |
"4482A1E8A4B00F2E_421F2703AC0EFDE1_6031_UN" | "CN(C)CCCCC(=O)OCC(NC)(C)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"7E9A87E0759D051C_1C2A501A8705556C_6031_UN" | "CN(C)CCCCC(=O)OCC(NCC)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"7B419DBDAF08A900_EA09CAA1C8C0B436_6031_UN" | "CN(C)CCCCC(=O)OCC(CC1=CC=C(C)C=C1)N" | 21 | "637509AE39023DDD" |
"80B8C53DB58812B2_49B9B005334C7BF4_6031_UN" | "CN(C)CCCCC(=O)OCCCNCC1=NC=CC=C1" | 21 | "637509AE39023DDD" |
"4D2F6223A8CF42A3_878E3851F7A5C9E9_6031_UN" | "CN(C)CCCCC(=O)OCCNC1CCCCCCC1" | 21 | "637509AE39023DDD" |
"586B6F74B63A059F_2B131B0DF9904DC9_6031_UN" | "CN(C)CCCCC(=O)OCCNCC1=CC=C(C=C1)Cl" | 21 | "637509AE39023DDD" |
"A17F350B9A5ECAA5_85F732DF3D26449E_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(N=C(C=C1)Cl)[NH]2" | 21 | "637509AE39023DDD" |
"1F467B6C10B73CFD_014E102A063B0B21_6031_UN" | "CN(C)CCCCC(=O)OCC(CC1=C(C)C=CC=C1)N" | 21 | "637509AE39023DDD" |
"372B2FC1953E5076_7AC37BB5FCD7F629_6031_UN" | "CN(C)CCCCC(=O)OCCOCC(F)(F)C(F)(F)F" | 21 | "637509AE39023DDD" |
"0B33072A9AABBBB7_F23126E734D83E80_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(C=C1)CCC#C" | 21 | "637509AE39023DDD" |
"01897354E91FA5D3_4A90B14A10826929_6031_UN" | "CN(C)CCCCC(=O)OC[C@H](C)OC1=CC=C(C=C1)Cl" | 21 | "637509AE39023DDD" |
"4BA1BDB19FA1ECD9_CB5D2BCCBE2544F7_6031_UN" | "CN(C)CCCCC(=O)OCCNCC1=CC(=CC=C1)F" | 21 | "637509AE39023DDD" |
"A148FD8A0653D6A3_B48CBF2506937A5C_6031_UN" | "CN(C)CCCCC(=O)OCCNC1CCC(CC)CC1" | 21 | "637509AE39023DDD" |
"2BCBB35BDB770A6C_841AA13580E5A14C_6031_UN" | "CN(C)CCCCC(=O)OCCC1=CC(=C(C=C1)N)OC" | 21 | "637509AE39023DDD" |
"A736A1554FA755A5_ED22B0167D353008_6031_UN" | "CN(C)CCCCC(=O)OCCNC(C)C1CCCCC1" | 21 | "637509AE39023DDD" |
"B86FB6539C25641F_2FB6B4644CFBC8B4_6031_UN" | "CN(C)CCCCC(=O)OCC(CN)CC1CCOCC1" | 21 | "637509AE39023DDD" |
"CDC11E3438AE7322_3BF69F9B37AF3C0F_6031_UN" | "CN(C)CCCCC(=O)OCCSCCCCCCCC" | 21 | "637509AE39023DDD" |
"EB5D0F04D6BB4D80_D5320CDEF74CCD76_6031_UN" | "CN(C)CCCCC(=O)OCC1CCC(CC1)OCC#C" | 21 | "637509AE39023DDD" |
"A098FAA7B599D2AF_73B8456F27E1CE04_6031_UN" | "CN(C)CCCCC(=O)OCC(N)CC1=CC=C(C=C1)F" | 21 | "637509AE39023DDD" |
"250A94181CAF1512_9B6D23F204AD29B3_6031_UN" | "CN(C)CCCCC(=O)OCCN(C)CC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"0A0DEA8BF8588D1D_5AF30B836A3F95AC_6031_UN" | "CN(C)CCCCC(=O)OCC(CN)CC1CCCCC1" | 21 | "637509AE39023DDD" |
"CF32AA4266A4AAE6_41AD859094E4029A_6031_UN" | "CN(C)CCCCC(=O)OCC(CN)CC1=CN=CC=C1" | 21 | "637509AE39023DDD" |
"A22B393B86D6155B_F19AF33223322701_6031_UN" | "CN(C)CCCCC(=O)OCCNCC1=CC(=CC=C1)Br" | 21 | "637509AE39023DDD" |
"A15A9A2BC278A7BC_6CD42801FADAEBEB_6031_UN" | "CN(C)CCCCC(=O)OCC2CCC1=C(C=CC=C1)C2" | 21 | "637509AE39023DDD" |
"24DE48FF9693686C_4FC3CD4057A3A3AF_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC=C(C(C)(C)C)C=C1" | 21 | "637509AE39023DDD" |
"9D4F8D49A58A088C_6ED48118DDAFAC94_6031_UN" | "CN(C)CCCCC(=O)OCCSC1=CC(=C(C=C1)N)C" | 21 | "637509AE39023DDD" |
"1728E34D06BCA8E9_70E610A85A943BD3_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(C=C(C=C1)Br)S2" | 21 | "637509AE39023DDD" |
"3C5FD3395B535D41_49D6F7EE6A28CC58_6031_UN" | "CN(C)CCCCC(=O)OCCOC1=CC(=CC(=C1)C)N" | 21 | "637509AE39023DDD" |
"DD6CDE2455971CD7_E929D9F76E9733C7_6031_DP" | "CN(C)CCCCC(=O)OCC(CN)CC1=CC=NC=C1" | 21 | "637509AE39023DDD" |
"601B0B957AC46DEA_9429635DF594CECD_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC1=C(N=C(C)S1)C=C2" | 21 | "637509AE39023DDD" |
"9638A15677B79D7E_9606F448AA5A6D14_6031_UN" | "CN(C)CCCCC(=O)OCC=CC1=CC=C(CC)C=C1" | 21 | "637509AE39023DDD" |
"4ACE382E53BDE0A0_230CD6E4E6437700_6031_UN" | "CN(C)CCCCC(=O)OCCNCC1=CC=CC(=C1)C" | 21 | "637509AE39023DDD" |
"B8B5E0AE617CF101_23A7465447670E46_6031_UN" | "CN(C)CCCCC(=O)OCC[N]1C=C(C(OC)=O)N=N1" | 21 | "637509AE39023DDD" |
"5D68FF609DB1E3CC_C2FB42E0E652D7D8_6031_UN" | "CN(C)CCCCC(=O)OCC1=CN=C(C(C)(C)C)C=C1" | 21 | "637509AE39023DDD" |
"7CC430E927A336BA_EAF94B7EE6E63804_6031_UN" | "CN(C)CCCCC(=O)OCC1=C[NH]C2=C1C(=CC=C2)F" | 21 | "637509AE39023DDD" |
"1AB5042BBE083CCC_E008AE5DB3CC9C35_6031_UN" | "CN(C)CCCCC(=O)OCCNCC1=C(N=CC=C1)Cl" | 21 | "637509AE39023DDD" |
"F612CBCC2433B8F5_047602766E3C0B4C_6031_UN" | "CN(C)CCCCC(=O)OCC(N)C1=C(C=CC=C1Cl)Cl" | 21 | "637509AE39023DDD" |
"E893DDC8C7F170E9_F3D0C22A7A2A4924_6031_UN" | "CN(C)CCCCC(=O)OCC(N)CC1=CC=C(C=C1)I" | 21 | "637509AE39023DDD" |
"42C604FEC30365F5_9B268B49ACD5E4FD_6031_UN" | "CN(C)CCCCC(=O)OCCCOCC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"97CEF26DD72863E1_E96B025E8BEB237F_6031_UN" | "CN(C)CCCCC(=O)OCCNC(C)C1=CC=C(Br)S1" | 21 | "637509AE39023DDD" |
"FBA2E1AE118A9643_C8CD2F5102B0D21E_6031_UN" | "CN(C)CCCCC(=O)OCCNCC1=C[N](CC)N=C1" | 21 | "637509AE39023DDD" |
"B66E7D49292B7332_5BAC2C25C8545E16_6031_DP" | "CN(C)CCCCC(=O)OCC(CC1=CC=N[N]1C)CN" | 21 | "637509AE39023DDD" |
"134D5FCC216B63FF_26E6727DE21A969B_6031_UN" | "CN(C)CCCCC(=O)OCC1CCN(C(OC)=O)CC1" | 21 | "637509AE39023DDD" |
"D531004724F860E5_44640081E84068F1_6031_DP" | "CN(C)CCCCC(=O)OCC(CN)CC1=NC=CC=C1" | 21 | "637509AE39023DDD" |
"7C8F4E958A1FA2D2_9AB353B1E8066374_6031_UN" | "CN(C)CCCCC(=O)OCCC(N)CC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"689EB730BFE33AA4_D5DB79944055444C_6031_UN" | "CN(C)CCCCC(=O)OCCC1(CCC#C)OCCO1" | 21 | "637509AE39023DDD" |
"734F690772347042_2D3E5CB491F4FBEC_6031_DP" | "CN(C)CCCCC(=O)OCC(CN)CC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"95691F59F0224C34_A30E298DA661BB69_6031_UN" | "CN(C)CCCCC(=O)OCC(C)OCC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
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