product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"C3A1AFBF7479A0B3_F588B5C6BBCF73E1_6031_UN" | "CC(C(=O)OCC1=C(C=C(C=C1)Br)Cl)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"21320A92F2705A7E_3D1F9D6C4357F1B7_6031_UN" | "CC(C(=O)OCC[N]1N=C(C=C1C)N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"5C2BF328180D7F74_44FB32553D16A58B_6031_UN" | "CC(C(=O)OCCCN(C)CC(F)F)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"8948C6F14386C43C_1FCF2CF010A3FEA3_6031_UN" | "CC(C(=O)OCC1=CON=C1C2CC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"483C642EC116E136_578B8F5F086F31C8_6031_UN" | "CC(C(=O)OCC1=N[N](C(=C1C)Br)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"7DBB1AF7445B3C91_DBC790A1B29E4E26_6031_UN" | "CC(C(=O)OCC1=C[N](N=C1OC)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"1FBE0ACB1CC74331_0A6B30C8767931D2_6031_UN" | "CC(C(=O)OCCCN1CCC(F)C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"D63C580E99D977AE_F7172B9959B5729E_6031_UN" | "CC(C(=O)OCC1CCCC=CCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"FB02D42A468DE737_FFDDC6D6AAC26FD2_6031_UN" | "CC(C(=O)OCC12CC(CN)(C1)OC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"FCDCBC4DBAFC64D2_A686661B8D12D89F_6031_UN" | "CC(C(=O)OCCC1=C(C)NNC1=O)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"BE4173B1D65AD774_1E431E61F72ACE78_6031_UN" | "CC(C(=O)OCC2C[C@H]1CC(N)[C@H]1C2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"DF874F20DCF98E7B_9919142F4787674A_6031_UN" | "CC(C(=O)OCC1=C(CCN)OC=N1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"EAA47C0B99BE1D38_40536D0B8E60330E_6031_UN" | "CC(C(=O)OCC1=CC(=NC(=C1)Br)Br)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"AFBD99199F82C2EC_DE4D224BAA88197C_6031_UN" | "CC(C(=O)OCC1=C(C(C)C)OC=N1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"40E9766C11815D9C_FC7444F3674232DA_6031_DP" | "CC(C(=O)OCC1=CC=C(CN)C=C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"FACE21C4886CBD53_F95AE676081905ED_6031_UN" | "CC(C(=O)OCC1=NOC(=N1)C2CC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"00B3E559AE9487FA_00519F521510C8D0_6031_DP" | "CC(C(=O)OCC2=CC1CCC(N1)C2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"AF8A7CA1A424DD51_4A13B48DE5863CDC_6031_UN" | "CC(C(=O)OCCOC1(CN)CCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"AE077614DDA9F2F3_19BD109A103E32AA_6031_UN" | "CC(C(=O)OCC[C@H]1CCC[C@@H](C)N1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"243E78CCEE2D3DA3_6E80E6698D999300_6031_UN" | "CC(C(=O)OCC(C(C(C)C)N)(C)C)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"D2DCABE42C3830C5_F8E4F5347369EB75_6031_UN" | "CC(C(=O)OCC2C[C@H]1C[C@@H](N)[C@H]1C2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"074C11EC03A19ACE_B98A41C515C8635B_6031_DP" | "CC(C(=O)OC[C@@H](N)CC1=C[NH]C=N1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"DAC9A1706E494104_5BBA53804B970A59_6031_UN" | "CC(C(=O)OCC1=NN=C[N]1C(C)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"D4DBFC86E4F8A184_A04FF89193952683_6031_UN" | "CC(C(=O)OCCSSCC(OC)=O)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"A92FB0071746FE24_479C0B2E49E116A5_6031_UN" | "CC(C(=O)OCC1CNCCC1(C)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"C5C5AB6F099A4DA9_22626AE2B197A610_6031_UN" | "CC(C(=O)OC1=COC(=CC1=O)CN)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"AF7F4E6404F4DE02_CACF014ACB1E8EBF_6031_UN" | "CC(C(=O)OCC1=NC=CC(=C1)C#N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"FBA5A596BD7839DC_CF2F9BA9D028141C_6031_UN" | "CC(C(=O)OCC(N)CC1=NC=CS1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"28627908380FDAEC_D90C7707E111C7A7_6031_UN" | "CC(C(=O)OCC1=CC(=C(C=C1)Cl)F)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"923E2F73A7372079_8B9B6B4706D1BCFC_6031_DP" | "CC(C(=O)OCC1CNCC12CNC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"E19412544DFC7005_A90729DF6CEF89F4_6031_UN" | "CC(C(=O)OCC1=NOC(=C1)COC)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"DA94C44EE394371F_674A9EE050D51EC1_6031_UN" | "CC(C(=O)OCCN1C(=O)CCC1=O)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"3052D84DACE23281_87A7B8EE3F9F656A_6031_UN" | "CC(C(=O)OCC1=C([N](CC)N=N1)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"3100E372A3F853AA_4CDCF54B0C376BED_6031_UN" | "CC(C(=O)OCC1COCC(C)(C)O1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"451E939FEF5340DB_D0190C5798BC5FE6_6031_UN" | "CC(C(=O)OCC1C(CNCC1)(F)F)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"25576AABDCC81C5C_7650415E018D3D99_6031_UN" | "CC(C(=O)OCC1CC2CCC(C1)N2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"B233F1B7A96C6601_E6E4AE21FE73BC01_6031_UN" | "CC(C(=O)OCC1=C(C=C(C=C1)Br)Br)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"22ACED8F943E9E1E_93BE842134120009_6031_UN" | "CC(C(=O)OCCC1=C(C=CC=C1)Cl)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"8EC76CCA7C4ADBA8_970C2C0A7F015EDE_6031_UN" | "CC(C(=O)OCC1=NC(=C(C)C=C1)F)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"7CAA280A5E279C6E_73BCB0AC52A6D5D0_6031_UN" | "CC(C(=O)OCC1=C(C(=CC=C1)Br)Br)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"8ADB841C4537FC99_EEBA6F53D1340504_6031_UN" | "CC(C(=O)OCCC1=C(C)C=CC=C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"617975912DD758EF_BC720AACFD23139F_6031_UN" | "CC(C(=O)OCCC(CC(C)(C)C)N)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"DA96F2A9E2999F9C_E737E1515E5C44EE_6031_DP" | "CC(C(=O)OCCC1CNC(C1)(C)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"BEC7BACE6C919E7F_3CA25D724F1A615E_6031_UN" | "CC(C(=O)OCCC1=CC(=CN=C1)Br)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"7E96DF906BB8754A_E64A182214C63303_6031_UN" | "CC(C(=O)OCC12CC(CO1)CCC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"AFB05193A456166B_99CD51A5B79D8B2A_6031_UN" | "CC(C(=O)OCC1C(F)(F)C12CCC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"61471F7DC92C056B_031B0A0A998E56BC_6031_UN" | "CC(C(=O)OCCC(C)(N)C(F)(F)F)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"E92FC34AD412AD48_38545B67293E16EA_6031_UN" | "CC(C(=O)OCCC1=C(C=NC=C1)F)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"91BAC46A3D7B2C4D_B32C9F3E8C9C7026_6031_UN" | "CC(C(=O)OCCCCC1CCCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"CBF1852660EE8A01_1A3C52FF226E5E4E_6031_UN" | "CC(C(=O)OCCC1CCCCN1C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"4ABDA2D844B54AFC_1DD39F7E3DCC25E0_6031_UN" | "CC(C(=O)OCC1=C(N=C(C)N=C1)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"F7A42BF07E4EFBA6_92379D88F74AE01B_6031_UN" | "CC(C(=O)OCC1(COC)CCCO1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"0E312499CCD992C1_947EDB9E09194DBC_6031_UN" | "CC(C(=O)OCC1(CC)CCCN1C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"757C352DA0495DAA_66D8F45ADDA93542_6031_UN" | "CC(C(=O)OCC1(NC)CCSCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"B1B8BE60CFBF4950_8D5154BC57751BCA_6031_UN" | "CC(C(=O)OCC1(CC)CCOCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"9CF3D757A053323F_F23EFB35670328DD_6031_UN" | "CC(C(=O)OCC1=CC(=C(C=C1)Cl)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"56A593DF478E798C_DDD340036DB7BE56_6031_UN" | "CC(C(=O)OCCCN1CCNCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"B0D0034B2D745A64_17893E7C71FC39E6_6031_DP" | "CC(C(=O)OCCC1CCCNCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"B8D97C8D40113436_E76C0CA1455118F1_6031_UN" | "CC(C(=O)OCCCCC1CCCO1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"9121011B93D94664_D175AC9F29BD9866_6031_UN" | "CC(C(=O)OCCC1CCC(C)CC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"0833B72F88D37D2F_CBAF7CCE128CE00F_6031_UN" | "CC(C(=O)OCCC1=CC(=N[N]1C)Br)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"E8F1EF6232715099_C3738AC3AE89BC13_6031_UN" | "CC(C(=O)OCC1=C(OC(=C1C)C)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"73DB49D9409F46F1_9E89A28EFCF7A4A4_6031_UN" | "CC(C(=O)OC[C@H]2N[C@H]1CCO[C@H]1C2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"796D5475CB8ED30F_1F0AFCB17475BFDA_6031_UN" | "CC(C(=O)OCC(C)(C)C1=N[NH]C=C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"6D4635A39920E75D_520FDB0A13D23C5D_6031_UN" | "CC(C(=O)OCC2C1=C[NH]N=C1CN2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"AB83BDE01D32C8D7_B6B766B11257FCB6_6031_UN" | "CC(C(=O)OCCNC1(CCC1)C#N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"0A56EE5948163CD7_2A6642A113D2CDF7_6031_UN" | "CC(C(=O)OCC(C)(C)C1CCCO1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"5B1CF226B4F1D35A_1EB1D7EA86573C00_6031_UN" | "CC(C(=O)OCC1(CCCC1(C)C)N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"C0C76AF1697E98C1_B30CCAA1660E3033_6031_UN" | "CC(C(=O)OCC1=C(ON=C1)C2CC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"9F060A5E873A1C5E_490AC72C7333F499_6031_UN" | "CC(C(=O)OCC1=C(OC)N=CC=N1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"FB02D42A468DE737_CED5ADFA554CFE9E_6031_DP" | "CC(C(=O)OCC12CC(CN)(C1)OC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"C70254188E0FCD51_03A67FD28BEB6BB1_6031_UN" | "CC(C(=O)OCC1=C(C=CC=C1Br)Br)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"A92FB0071746FE24_E133ED4F3DC2AD0B_6031_DP" | "CC(C(=O)OCC1C(CCNC1)(C)C)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"CB3E12F9B5C54BC5_AFE13D8F96CE0E45_6031_UN" | "CC(C(=O)OCC[N]1C=C(CN)C=N1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"40E9766C11815D9C_578A2E890FF455D5_6031_UN" | "CC(C(=O)OCC1=CC=C(CN)C=C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"7E73431757FF5CAE_6803EC96CD762B61_6031_UN" | "CC(C(=O)OCCCCCCN=[N]#N)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"5A800E5189D94677_0C8D5BDCADE23F08_6031_UN" | "CC(C(=O)OCC(C1=NC(=NO1)C)N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"5A114D4C047BE71B_95DD99AA00D2A89E_6031_UN" | "CC(C(=O)OCC1CCC(F)(F)CO1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"FE4DE568E2A9329C_FE1ABD6AB4E45942_6031_UN" | "CC(C(=O)OCCCC1CCCCO1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"12CC0BD2C90BEA5A_66300302778CAE13_6031_UN" | "CC(C(=O)OCC1=C(OC=N1)C2CC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"819E34511AB664EC_C9404A7A01A07B57_6031_UN" | "CC(C(=O)OCC1=C(C=CC(=C1)C)F)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"A557B81492F577E6_1AD8F16BD5F3BC91_6031_UN" | "CC(C(=O)OCC1(OC)CNCCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"73FE6AAEF4774A0F_1A0133EFCB348F77_6031_UN" | "CC(C(=O)OCC1CNCCN(C)C1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"9B36DF11D6805574_8EEA5ED3CC53C045_6031_UN" | "CC(C(=O)OCC1NCC2(C1)CCC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"A3C090DDE2563513_ADEA121C81A693B4_6031_UN" | "CC(C(=O)OCC=CCCCCCC)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"E3AEE56E3E61E783_A12D2C08197303DD_6031_UN" | "CC(C(=O)OCCSC1CCCCC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"B7327D1C18C2C34C_E646C207F5F19CBA_6031_UN" | "CC(C(=O)OC[C@H](C1=N[NH]C(=N1)C)N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"5C43FBB8875767D8_A8A0A0737F56C174_6031_UN" | "CC(C(=O)OCC1=CN=C2CCC[N]12)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"1A72FF2DE4B126BF_F4FE40639FBC415E_6031_UN" | "CC(C(=O)OCC12CC(CN1)CCC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"C749E46E4561B04A_DE482546480D4A83_6031_UN" | "CC(C(=O)OCCC1CCCC2CC12)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"A0466948D2A22EE5_EC73D4D7061CC0D7_6031_UN" | "CC(C(=O)OCC1(CC(C)(CC1)C)N)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"26FF7AF75993624D_998BDA7E664B9490_6031_UN" | "CC(C(=O)OCCC(C)(C)C(F)(F)F)C1=CC=C(C=C1)C" | 21 | "BA731AEC4E0DB991" |
"A51ED3AC1BA5C6D6_25B18C731A542884_6031_UN" | "CC(C(=O)OCCCC1=C(C)N=CS1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"37180C29C36C67DC_B928B7ECCF371921_6031_UN" | "CC(C(=O)OCC1(CN)C2(C1)CCC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"928B439EBFA05DE7_BD7178D55B0D02B1_6031_UN" | "CC(C(=O)OCCC1=CN=C(C=C1)Cl)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"FF01F6C85C027B8E_1032FB44D11183B8_6031_UN" | "CC(C(=O)OCC1=C(C)N=C(C=C1)Cl)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"ED44347CE7FCDC35_023815BACD27CE45_6031_UN" | "CC(C(=O)OCC(N)CC1CCOC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"251348CD67F94771_156583BF86D48D38_6031_UN" | "CC(C(=O)OC[C@H]2N[C@H]1CCC[C@H]1C2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
"13B426EB17E4F725_D481E12DC7C4B1C9_6031_UN" | "CC(C(=O)OCC1(CC=C)CC=CC1)C2=CC=C(C=C2)C" | 21 | "BA731AEC4E0DB991" |
"95E51AF8ACD6ED75_D7C84287F7C5EF00_6031_DP" | "CC(C(=O)OCC1CC2(CCN1)CC2)C3=CC=C(C=C3)C" | 21 | "BA731AEC4E0DB991" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.