product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"5F3A593DB9EA32BE_4CF5729A599E1536_6031_UN" | "CCC(CC(=O)OCCOC1CCCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"D87F7E7B5F481F0B_42EB088F0CF7A7DB_6031_UN" | "CCC(CC(=O)OCC1=NN=C(C)[N]1C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"B461271EE34DE809_F36D2E46CA344DC3_6031_UN" | "CCC(CC(=O)OCC(CC)(CC)CN)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"06D469E31EF3CA62_13A1B92C35B8C1F7_6031_UN" | "CCC(CC(=O)OCC1=NC=CC(=C1)Cl)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"D8A080D91A06F556_46D2032287CE3CEF_6031_UN" | "CCC(CC(=O)OCCC1=NC=CC=C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"9221D2678CC343D6_ABD32C15FD6F18E2_6031_UN" | "CCC(CC(=O)OCC(NC)C(C)(C)C)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"456E140CBE70AB09_118BD6A06EF4EDD0_6031_UN" | "CCC(CC(=O)OCCNC(OCC)=O)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"3C2918AD5EF18C44_6DCE8962AE094A56_6031_UN" | "CCC(CC(=O)OCC1(C)CCCNC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"ECED4672FDA8B4A1_A54DBF9551C9316A_6031_UN" | "CCC(CC(=O)OCCC(COC)(C)N)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"3FB6B5242AE0C1ED_A4DCF49C605F2510_6031_UN" | "CCC(CC(=O)OC[C@H]1N[C@@H]2CC[C@H]1C2)C3=CC=CC=C3" | 21 | "99BC2B0F65547B51" |
"97162A05504C5D58_C5493BA44EF84753_6031_UN" | "CCC(CC(=O)OCC1=NC(=C(S1)C)C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"320BFE8A5E5C25A7_9A6383F4DE4038F9_6031_UN" | "CCC(CC(=O)OCC1=C(C)SC(=N1)C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"F26D7722474FC582_31F60158216179A8_6031_UN" | "CCC(CC(=O)OCC(C)(C)[S](=O)(=O)C)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"DDC85B66CD3B0017_3FA1B93819BA0C7B_6031_UN" | "CCC(CC(=O)OCC1CCCC(C)C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"3CBD394703B7342C_C9E6C5385262DD33_6031_UN" | "CCC(CC(=O)OCCCNCCCC)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"1BB6801299B50CF5_34816016C3422106_6031_UN" | "CCC(CC(=O)OCC1(CC#C)CCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"537CA0949ED88733_8158885E3B4F9AC0_6031_UN" | "CCC(CC(=O)OCCC(CNC)(C)C)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"5E16BAEA3484D5EB_58D82B532ABCEB57_6031_UN" | "CCC(CC(=O)OCC1CC[S](=O)(=O)C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"1A06E58E2F5C1CFC_6D27D45E46FF1589_6031_UN" | "CCC(CC(=O)OCCCSC(C)(C)C)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"81CB35436DDF0DDE_12545F02A482529C_6031_UN" | "CCC(CC(=O)OCC1=NC=C(CC)S1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"852F7FBBB385C777_0625F99F21D84FDF_6031_UN" | "CCC(CC(=O)OCCC1=NN=C(N)S1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"E44070DFF40C8402_86D3EACFB7F3B76E_6031_UN" | "CCC(CC(=O)OCC(N)CC(F)(F)F)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"0CE6718210E33A8E_51AE175AC993D561_6031_UN" | "CCC(CC(=O)OCC1CC(C)OCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"2C857D8954F92680_9DFBC8360E3D79D6_6031_UN" | "CCC(CC(=O)OCC1=CC=C(N)C=C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"F2746B9E65690052_16047D56784D6745_6031_UN" | "CCC(CC(=O)OCC1=CC(=NC=N1)C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"EAF9515F0C36D9B9_630B3BC56CC16408_6031_UN" | "CCC(CC(=O)OCCCN(CC)CC)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"C2DB6CD41B2BF094_55FE7248FBD0565D_6031_UN" | "CCC(CC(=O)OCC1=NN=C(C=C1)Cl)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"6D857B7FF15CB576_A5F8F883F1DE7A86_6031_UN" | "CCC(CC(=O)OCC1CCCCCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"D115EED9541F9E52_948F35F714CD5398_6031_UN" | "CCC(CC(=O)OCC1(NC)CCOC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"E352F8A4D94443E5_121B8654C8F26ABE_6031_UN" | "CCC(CC(=O)OCC1=C(C=CC=C1)Cl)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"1521CB43AE1B1A8B_757510556E8FADFC_6031_UN" | "CCC(CC(=O)OCC1=C(N)C=CC=C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"1FA6EE52FEF5F234_39D350433C8EDB47_6031_UN" | "CCC(CC(=O)OCC1(CCCC1)C#N)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"6FD28191651438E6_D8B36F50908AE72B_6031_UN" | "CCC(CC(=O)OCC1CCCC(N)C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"409A863742E2D4E7_5D36854D9FF4EB1B_6031_UN" | "CCC(CC(=O)OCCCC1CCCO1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"A7F7D562F8252A73_9B195BFFD9A5256F_6031_UN" | "CCC(CC(=O)OCC1=CC=C(CN)O1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"046C67FC0BB7A014_CB5BD0B05C527908_6031_UN" | "CCC(CC(=O)OCC1CC=CCC1C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"8E7B543FCB5C145E_C15B73B22E4A3B9C_6031_UN" | "CCC(CC(=O)OCC1=CC=C(C)C=C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"8183DBC8B56D4474_23DEF973958C9B93_6031_UN" | "CCC(CC(=O)OCC1=C(N=C[N]1C)Br)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"4DD5DD6BCD69022E_2B3068F76912FF90_6031_UN" | "CCC(CC(=O)OCC1=NN=C(CC)[NH]1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"7DA287EB6C960809_13DB6A9EF1BA60AA_6031_UN" | "CCC(CC(=O)OCC1(C)CCNCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"3A2BF8A9716D7E64_DAE6693C87F96498_6031_UN" | "CCC(CC(=O)OCC1=C(C=NC=C1)Cl)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"D9FA8D56F15B60C7_14319866CD9916B1_6031_UN" | "CCC(CC(=O)OCCCC1=CSC=C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"B07213F2D3F6A643_439AD3BF0790A14B_6031_UN" | "CCC(CC(=O)OCC1=CC=C(C=C1)S)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"7E83F97C29E2B07B_2E6DC1A2EB1E8DEE_6031_UN" | "CCC(CC(=O)OCC1=C(C)N=CN=C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"1DFDDD84F0DE5E8C_9A12B394E462F2F8_6031_UN" | "CCC(CC(=O)OCCC1CCCCO1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"9EA36A2CCD9495CB_99126D0FD2D604D4_6031_UN" | "CCC(CC(=O)OCC1CCCNCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"87E8A48DC231F4D5_C9945099C1B10F0A_6031_UN" | "CCC(CC(=O)OCC1=CSC(=N1)CN)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"17D824417840A739_FF3476B78AF3DF9D_6031_UN" | "CCC(CC(=O)OCC1=C(C)C=CC=N1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"536AB2CE523BA637_CFB6A00EE7488A55_6031_UN" | "CCC(CC(=O)OCC1=C[N](=CC=C1)=O)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"B556F70726A3F6B8_560581431474CD42_6031_DP" | "CCC(CC(=O)OCC1=NOC(=C1)CO)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"D60DBC97EF5131E4_7863C3DA21FBAE9B_6031_UN" | "CCC(CC(=O)OCC1(C)CCOCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"2ABA07867A2FDA2B_8CDBFB416C98C211_6031_UN" | "CCC(CC(=O)OCC1CC1(C(C)C)C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"BEFE6A3468593453_E74289CDBE3A743F_6031_UN" | "CCC(CC(=O)OCCC1=CN=C[N]1C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"885EA21A54D98713_9E9289388A71023F_6031_UN" | "CCC(CC(=O)OCC(N)C1=CSC=C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"1AA0D0F082DC256F_C046830BDE838A3B_6031_UN" | "CCC(CC(=O)OCC1(CN)CCCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"927F3E42DEEDB4D6_C6D4F365E39644CB_6031_UN" | "CCC(CC(=O)OCCC1=NN=C[N]1C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"87E8A48DC231F4D5_194E93B032CC86BB_6031_DP" | "CCC(CC(=O)OCC1=CSC(=N1)CN)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"10A707A306608230_E5C1C09BE6D4D410_6031_UN" | "CCC(CC(=O)OC1=COC(=CC1=O)C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"F3029E843659A3EE_DB062108BBCD5220_6031_UN" | "CCC(CC(=O)OCC[N]1C=CN=C1C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"11E4739999FE1780_144849D5496236C7_6031_UN" | "CCC(CC(=O)OCC1NCC(C1)(F)F)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"B832670311DA5010_0A115878BA1194EB_6031_UN" | "CCC(CC(=O)OCC1=NC(=NC=C1)Cl)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"8EE889B4CBDA6756_1A396C2234292DDB_6031_UN" | "CCC(CC(=O)OCC1CCCCNC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"60F6F69B9263DF8F_9FBBF25F811E2A69_6031_DP" | "CCC(CC(=O)OC[C@H]1CC[C@H](N)CC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"A0D031500818FC89_6193934F115C599C_6031_UN" | "CCC(CC(=O)OCCC1CCCC1N)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"FA7E67DCF29FE62A_3E16E89F79ED3163_6031_DP" | "CCC(CC(=O)OCCC1OCCNC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"93E36CFFB1A4F3B3_7A37270ABB3AA93D_6031_DP" | "CCC(CC(=O)OC[C@@H]1CC[C@H](N)CC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"07A821983BFC2366_558110D925C9432F_6031_UN" | "CCC(CC(=O)OCC1=NC=C(C=C1)Cl)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"B7EE9E48EEA4408D_BE59B338963270CB_6031_UN" | "CCC(CC(=O)OCCNCCCOC)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"9A990C3F7CA979C2_2B679DC2C8843333_6031_UN" | "CCC(CC(=O)OCC(C(OC)=O)(C)C)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"FD9F09EFB3F00F70_EE163DC6E8842D69_6031_UN" | "CCC(CC(=O)OCC1=CC(=NC=C1)N)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"F5ED55FA84722F52_D8F759560D83D7A3_6031_UN" | "CCC(CC(=O)OCC1CNCC(C)O1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"AFB2A97B7C0F011B_67761342CBC14BC8_6031_UN" | "CCC(CC(=O)OCC1(C)CCCCN1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"F2C644EDCEF4BBFD_9C1C49ACEA192381_6031_UN" | "CCC(CC(=O)OC1=C(OC(C)C1=O)C)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"D5F7C66AA4BB085D_F7AB3F3F88989A8C_6031_UN" | "CCC(CC(=O)OCC1CCC(C)(C)O1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"DD12C971EC137FE0_9F4A14368FF653C0_6031_UN" | "CCC(CC(=O)OCC1(CC)CCCN1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"79888F482A79D8F5_B4C97995B80AC089_6031_UN" | "CCC(CC(=O)OCC(COC(C)=O)N)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"65901E7D5F017AD6_F4C8C72664A858A3_6031_UN" | "CCC(CC(=O)OCCCOCCOC)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"922A587528899F4D_2D4053F60D37A2FA_6031_UN" | "CCC(CC(=O)OCC1(OC)CCCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"371549CADBF231DB_C6B24FA930104348_6031_UN" | "CCC(CC(=O)OCCCNC1CCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"DF7D2713B171BAA6_D7BEC974E01D6791_6031_UN" | "CCC(CC(=O)OCC1=CC=C(SC)S1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"23AA0440D7A29093_FED228C1FABEBFBE_6031_DP" | "CCC(CC(=O)OCC1(N)CCNCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"EBD6D5DE7F553E38_59296492D0359D34_6031_UN" | "CCC(CC(=O)OCC1=C(N=CC=C1)Br)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"8FC2D427790448D7_2346BFE8382904E4_6031_UN" | "CCC(CC(=O)OCCC1(N)CCOC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"7739B186017C46CE_76EC340B9DAB6E3D_6031_UN" | "CCC(CC(=O)OCC(N)C1CCCO1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"C46A603C052ACBD3_86199880A2992476_6031_UN" | "CCC(CC(=O)OCC1=C(N=C(S1)Cl)Cl)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"18D5E51B47D758E2_6D481B8C683A83A4_6031_UN" | "CCC(CC(=O)OCCCOCC(F)F)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"4705C9A83959EA51_AC151D9B7CE7E23E_6031_DP" | "CCC(CC(=O)OCC(CC(C)C)CN)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"35C4407D0051EF27_1593774AA61F4103_6031_UN" | "CCC(CC(=O)OCC(C1CC1)C2CC2)C3=CC=CC=C3" | 21 | "99BC2B0F65547B51" |
"6E3B2C6141389D7A_1EDBF76020DFA6C9_6031_UN" | "CCC(CC(=O)OCC1([S](C)(=O)=O)CC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"B3B9AB3215CC1707_851B65C9B0D8184E_6031_UN" | "CCC(CC(=O)OCC1=CN=CC(=C1)N)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"9C4ECFC884BC7025_0AC222141E68195F_6031_UN" | "CCC(CC(=O)OCC1=CN=C(N)C=C1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"6D43B5BFBF2E393F_2453EE87C60A86CE_6031_UN" | "CCC(CC(=O)OCCOCCNCC)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"A56B8419A68F4F4F_A5D50F23398D4D0A_6031_UN" | "CCC(CC(=O)OCCCC1=CSC=N1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"5FEB8258A3A89DF0_971E03F27FD72996_6031_UN" | "CCC(CC(=O)OCC(CN)C1CCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"501281C963A0498A_9377FECC821DD6AD_6031_UN" | "CCC(CC(=O)OCCC1=CSC=C1Br)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"6D3C81B77D3C3B0A_BBEA56706F232080_6031_UN" | "CCC(CC(=O)OCC1(N(C)C)CCC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"B10EC4AA25D25CB6_7450457568CBC907_6031_UN" | "CCC(CC(=O)OCC1=CC=C(C=C1)I)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"3C595F5D25A93433_1DAF4DD4B9093522_6031_UN" | "CCC(CC(=O)OCC(C(C)C)C(C)C)C1=CC=CC=C1" | 21 | "99BC2B0F65547B51" |
"B90E411F45DBF6E2_196D08360F7B931F_6031_UN" | "CCC(CC(=O)OCC1(CN(C)C)CC1)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
"7AD8C1A695505F9A_F285F9F26498DD38_6031_UN" | "CCC(CC(=O)OCC1=NC=N[N]1CC)C2=CC=CC=C2" | 21 | "99BC2B0F65547B51" |
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