product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"8FE470078BCCE986_C2AF069C10FFF28A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC=C[N]1C(F)F" | 21 | "2ABD1A31041160FA" |
"7E71F1E5A13A9306_1292F30549124CF2_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C(C=CC=C1)F" | 21 | "2ABD1A31041160FA" |
"670FBDEE906EDCAE_B3549B35AFEE59F5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1CCCNCC1" | 21 | "2ABD1A31041160FA" |
"A32C66CB7E5AA641_14CCE72B1E4C8EDF_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=CC=C1)C#N" | 21 | "2ABD1A31041160FA" |
"61A432967FE621A9_C778428EDDFF6C66_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C=CC(=C1)Br)F" | 21 | "2ABD1A31041160FA" |
"C15C4194E40D081F_C8122A840002925D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCC1=NN=C(N)[NH]1" | 21 | "2ABD1A31041160FA" |
"7B439A7870DB3B15_D265F6E8BC0B9A91_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CC(F)(F)C1(F)F" | 21 | "2ABD1A31041160FA" |
"DDEF8166AC367B63_C8E709A681B0A4B0_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=CC=C(C=C1)F" | 21 | "2ABD1A31041160FA" |
"9E12A79EE7AC5CD6_99F1A6C3862D6559_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCNC1=NC=CC=C1" | 21 | "2ABD1A31041160FA" |
"083D4629D97DF242_DA4176EA34A7EC1B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC[N]1N=C(C)C=C1C" | 21 | "2ABD1A31041160FA" |
"A930A5FAA8649A7E_1BDF8FC22C620DA0_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCOC1CCCCC1" | 21 | "2ABD1A31041160FA" |
"9ECEB72BC07D630E_FCB368FB1B8A5805_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCOC1CCCC1" | 21 | "2ABD1A31041160FA" |
"15A310FA1F03A786_C03027CC79D0C352_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCNCCCCCC" | 21 | "2ABD1A31041160FA" |
"2D2482FA7A2015E8_B13579D63D6A70D7_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1C=CC=CC1=O" | 21 | "2ABD1A31041160FA" |
"15721F69722ABE59_9A94F0B32358E4FC_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=C(N)N=C1)Cl" | 21 | "2ABD1A31041160FA" |
"31ACE9B93ED10858_62F3FF882B6336CE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCOCC(F)(F)F" | 21 | "2ABD1A31041160FA" |
"B3B9B06CB3E0D1DF_179F9881EF9CC48C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCC1=C[N](C)N=C1" | 21 | "2ABD1A31041160FA" |
"87BB878396FC321D_26450EE13BAA71AA_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCCN1CCCC1" | 21 | "2ABD1A31041160FA" |
"CEE9FEB8FD18C434_C562A7E0DD5B6C8F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCNCC(F)(F)F" | 21 | "2ABD1A31041160FA" |
"03C9A4AF427D553B_476E04230867EE31_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC=CC(=C1)CN" | 21 | "2ABD1A31041160FA" |
"E1A732AA1295770E_AB3B84237F7CECC8_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=C(C=C1)Cl)N" | 21 | "2ABD1A31041160FA" |
"9C6B67A096C6AC18_A68EAC2BD43E9A0B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCN1CCOCC1" | 21 | "2ABD1A31041160FA" |
"CA170198689911FF_08454DEE6870EB34_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCNC1=CC=NC=C1" | 21 | "2ABD1A31041160FA" |
"F9163E4F757A06B4_68EF0E4069135502_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1CCC(C)CC1" | 21 | "2ABD1A31041160FA" |
"AF24038CEE609DCB_27BD3885D6619B93_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(NC)CCCCC1" | 21 | "2ABD1A31041160FA" |
"541C9252CE0611DD_D9EF8B011E04312E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCOC1CCCNC1" | 21 | "2ABD1A31041160FA" |
"3E8C791C2BAA5B83_F447BDE75970C8AB_6031_DP" | "COC(=O)N(C)CCCC(=O)OCC(C)N1CCNCC1" | 21 | "2ABD1A31041160FA" |
"371060532F9E69DD_E3C52A0000FF6F56_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCNCC(C)(C)C" | 21 | "2ABD1A31041160FA" |
"3E8C791C2BAA5B83_96CA5D0B298461D3_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(C)N1CCNCC1" | 21 | "2ABD1A31041160FA" |
"C3877A5AD43D9556_F5F0DE9F32FA7449_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C=CC(=N1)Cl)Cl" | 21 | "2ABD1A31041160FA" |
"D7A6CF1B4023D830_876F7F2C65784702_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCCN1CC#C" | 21 | "2ABD1A31041160FA" |
"F1DBBCC758E848B2_D4C68C4DD10FD3FF_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCOC1=CN=CC=C1" | 21 | "2ABD1A31041160FA" |
"60DB2DEAC5BE9093_7464099A5502AC37_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCCOCCCC" | 21 | "2ABD1A31041160FA" |
"618C3C60FA90CB4E_5598E82BA26A09D3_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C([N](N=C1C)C)Cl" | 21 | "2ABD1A31041160FA" |
"12F5666B837625CF_99B17D246A5E8E10_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NN=C(CC)[N]1C" | 21 | "2ABD1A31041160FA" |
"91BA348825E8FC4D_36C2A4E9BE1D69BB_6031_DP" | "COC(=O)N(C)CCCC(=O)OCC1NC(OC1C)(C)C" | 21 | "2ABD1A31041160FA" |
"CA42DFA7D28B8543_B8D28F73CC618FAA_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CN=C(OC)C=C1" | 21 | "2ABD1A31041160FA" |
"A32560BF50B25B2E_51A40507B4868D62_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C=CC(=N1)N)Cl" | 21 | "2ABD1A31041160FA" |
"16AED10B117F9F6E_B17A7BFC8C8D8541_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(CC)N(CC)CC" | 21 | "2ABD1A31041160FA" |
"B228D6DB9E32FC68_9718ABA618AB5D67_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC=CC(=N1)OC" | 21 | "2ABD1A31041160FA" |
"D99715F93BD5BBFC_328EA587A34C8DBB_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(N)C1CCCCC1" | 21 | "2ABD1A31041160FA" |
"6876669E47243D71_92E697222DC59503_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1C(CNCC1)=O" | 21 | "2ABD1A31041160FA" |
"4377CBEA341B822F_BF8DCD6CC4B931E7_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=CC(=C1)F)Br" | 21 | "2ABD1A31041160FA" |
"8C3FDC06A262ECA6_55E1F382880F8ECD_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(C1=C(C)C=CS1)N" | 21 | "2ABD1A31041160FA" |
"0671E80C54447673_C0CC6A169F60E1D4_6031_UN" | "COC(=O)N(C)CCCC(=O)OC1=C(CC)OC=CC1=O" | 21 | "2ABD1A31041160FA" |
"9F50F0E8CD372FC4_302EC692A572FE8F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC(CC)(CC)CN" | 21 | "2ABD1A31041160FA" |
"C0FE87EBDDF81788_180CC165DD5A5F4D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C=C(C=C1)Cl)Cl" | 21 | "2ABD1A31041160FA" |
"BE1F7763919107F1_807277496764D1C2_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCNC1=NN=CC=C1" | 21 | "2ABD1A31041160FA" |
"B00CCD05126512CA_B3796A0E842E5E10_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCOC1CCNCC1" | 21 | "2ABD1A31041160FA" |
"8BD5D99D37D785F6_54510C6669599063_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1CCCC(C)C1" | 21 | "2ABD1A31041160FA" |
"455368699750BA80_E10038E1C634BCED_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C)C=C(C=C1)Br" | 21 | "2ABD1A31041160FA" |
"D6578C7B004594C2_46B96CFFAAF86B1C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1CCCN(C)C1" | 21 | "2ABD1A31041160FA" |
"7B0A3E754E86BFDD_AE02E4CBD97AA91B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1C(N)CCCCC1" | 21 | "2ABD1A31041160FA" |
"A921F4CD1594E94B_C1FD85CD544770A2_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCN(C(C)=O)C1" | 21 | "2ABD1A31041160FA" |
"4C2135CE267C71BD_D7F26A7361C38E9D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CC12CCOCC2" | 21 | "2ABD1A31041160FA" |
"E76E36C3547C5ED1_4ECAAEA2E3AFB7AB_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCCC[S]1(=O)=O" | 21 | "2ABD1A31041160FA" |
"833FBB54359ED701_E9C7DC08AFF8719D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NN=C[N]1CCC" | 21 | "2ABD1A31041160FA" |
"5E422CB0435D8662_5743F6033E212A01_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCOCCCCCC" | 21 | "2ABD1A31041160FA" |
"9246D1642A742D52_D645BB71DF92FD6D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCCCN1CC" | 21 | "2ABD1A31041160FA" |
"0823A14297F6866F_769D47F2190A5813_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C(=CC=C1)F)I" | 21 | "2ABD1A31041160FA" |
"1F2415AF17993334_327DE657AAA18461_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC=CC1=CC=CC=C1" | 21 | "2ABD1A31041160FA" |
"A77B8898FC82640C_8AE1FF887C112631_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN(C)CC(F)(F)F" | 21 | "2ABD1A31041160FA" |
"F272F25CC6082D05_2E884E3779C53D87_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN(C(OCC)=O)C" | 21 | "2ABD1A31041160FA" |
"67B77CA385C010A8_26ED3FF2B5C6FFE5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCCC(C)(C)C1" | 21 | "2ABD1A31041160FA" |
"D873428B2FCBDA76_4C19109DB46667C8_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(CN)CCOCC1" | 21 | "2ABD1A31041160FA" |
"D0E32EBBF2D1E505_E448B21AA3ACC2C5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NN=C(OC)C=C1" | 21 | "2ABD1A31041160FA" |
"482E032E3110C644_EFD368160FA32D6E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCNCC1=CSC=C1" | 21 | "2ABD1A31041160FA" |
"633280419BD3FCF7_51FAEBD3AEBF599C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(N)C(=CC=C1)F" | 21 | "2ABD1A31041160FA" |
"03ECAC44BEBF4BF3_246A66D664BF1F14_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(NCCOC)(C)C" | 21 | "2ABD1A31041160FA" |
"A05B774F705AF55E_2A8F2FB6BC588E6E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C(=CC=N1)Cl)Cl" | 21 | "2ABD1A31041160FA" |
"114E28932C4688FE_C92EF9F6F767A340_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1CCCCC1=O" | 21 | "2ABD1A31041160FA" |
"7FFF9D7B2D99FDD6_3856FFED3FC52F02_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCNC(NCC)=O" | 21 | "2ABD1A31041160FA" |
"38EB43713170F2A9_B573B57B1853C704_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC(N)C1=CC=CS1" | 21 | "2ABD1A31041160FA" |
"670FBDEE906EDCAE_CB52568DD09767F9_6031_DP" | "COC(=O)N(C)CCCC(=O)OCCN1CCCNCC1" | 21 | "2ABD1A31041160FA" |
"6D25BF399C26E62E_3F78B23405921F05_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC(=NC(=N1)N)N" | 21 | "2ABD1A31041160FA" |
"4DF416721F5FD979_4F2F811446F83557_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=CC(=CC=C1)Cl" | 21 | "2ABD1A31041160FA" |
"7977F47E334D77F5_5F1B0EE02D7984FF_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC[N]1C=C(C)C(=N1)N" | 21 | "2ABD1A31041160FA" |
"15A228B5D0BC6183_DFC3591CED008389_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1COC(C)(C)O1" | 21 | "2ABD1A31041160FA" |
"B82926686C8B608E_E204A4A3E903AD42_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(CN)C=CC=C1" | 21 | "2ABD1A31041160FA" |
"8C00DB3EC3444387_C26ED94EB14E8E71_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC(CC(C)C)CN" | 21 | "2ABD1A31041160FA" |
"5BAF43B5E8516710_C8F051198A7A1C4A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1C(N)C2CCC1C2" | 21 | "2ABD1A31041160FA" |
"773FB634DC096B18_C5073666761D0FAC_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CN(CC)C(C1)=O" | 21 | "2ABD1A31041160FA" |
"2740836816B3DED2_9E1640F0088FA4AE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCCN1CCC" | 21 | "2ABD1A31041160FA" |
"E3F56C4385C7B0E0_5070243ECDD28C7B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1CCN(C)CC1" | 21 | "2ABD1A31041160FA" |
"EB4007E722A86D93_45A61BB185C1E189_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(CC)CCNCC1" | 21 | "2ABD1A31041160FA" |
"FF9882074ABABF63_695AD8B0344FCD68_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C(=CC=C1)F)Cl" | 21 | "2ABD1A31041160FA" |
"671CC507F5BC3B68_969021D4D2A4FEF5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(CCC(C)CC1)N" | 21 | "2ABD1A31041160FA" |
"BE3A67C35FF7BD8F_6AC23DA443FBE342_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCC1(C)CCCN1" | 21 | "2ABD1A31041160FA" |
"B542A8B219C1E1A7_34227C6115DABF5E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1CC2CCC1C2" | 21 | "2ABD1A31041160FA" |
"FF1418FBEE15F166_4B6ED45B6F526CCD_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC=C(C=C1)CCl" | 21 | "2ABD1A31041160FA" |
"69CA828D14A65637_AA849562A3A9985A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(CCCCC1)C#N" | 21 | "2ABD1A31041160FA" |
"6131E31396204B7A_BC87DA30227C75E2_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN(CCC)CCC" | 21 | "2ABD1A31041160FA" |
"71D92006310B0B38_A40612AA051C6C4E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NN=C[N]1C2CC2" | 21 | "2ABD1A31041160FA" |
"6E87DC50290E40CE_76D60EEB1C147C39_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(C)(C)C1CCCC1" | 21 | "2ABD1A31041160FA" |
"E7D7E78E394A8D3C_830407F85F3022DE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(SC)C=CC=C1" | 21 | "2ABD1A31041160FA" |
"34B2BFB9DC566F19_70157562FB8EA718_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(COCC)CCC1" | 21 | "2ABD1A31041160FA" |
"B99347871AE6B474_A4E306F2532AC9D4_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCNC1CCNCC1" | 21 | "2ABD1A31041160FA" |
"29D9E1325DEA94B6_BFEED4BF06E42DE5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(C1=C[N](C)N=C1)N" | 21 | "2ABD1A31041160FA" |
"AD54B477FBDD651A_BD4582AC1D81E0DE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(N=C(C)N=C1)N" | 21 | "2ABD1A31041160FA" |
"3A05A6CCEA98AD91_881E44D008F86535_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(N)C=C(C=C1)Cl" | 21 | "2ABD1A31041160FA" |
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