product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"FDE3982B1E506AC1_3769A49A233A8D7F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3C(CNCC3)=O" | 21 | "8F3229890AEE7886" |
"1F5EB5C6A2A3C9F0_1A02FED4CA46299B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=CC(=C3)F)Br" | 21 | "8F3229890AEE7886" |
"A80CEC14E58906FC_F06EC03A86F096B1_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C3=C(C)C=CS3)N" | 21 | "8F3229890AEE7886" |
"5221DAEC6069D1BF_654359AE919FF9A8_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC3=C(CC)OC=CC3=O" | 21 | "8F3229890AEE7886" |
"A98F06938649FB93_95A1F52AAB8DE6F3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC(CC)(CC)CN" | 21 | "8F3229890AEE7886" |
"1DF47E3F969A01C4_BD83F2DDD3A54731_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=C(C=C3)Cl)Cl" | 21 | "8F3229890AEE7886" |
"94113A9F7ADAEE9E_25FD44F1699BC9BE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3=NN=CC=C3" | 21 | "8F3229890AEE7886" |
"B182A40F00812EC2_16F659B68AD1466C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCOC3CCNCC3" | 21 | "8F3229890AEE7886" |
"A9B7686C7FD52409_F1DE3FDE67A6881F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3CCCC(C)C3" | 21 | "8F3229890AEE7886" |
"A9490EE58413F29B_448F0B59C8CBA491_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C)C=C(C=C3)Br" | 21 | "8F3229890AEE7886" |
"BC179783C728A038_E3365F47A4077360_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3CCCN(C)C3" | 21 | "8F3229890AEE7886" |
"88CA4C7DBE7AF8C8_0B8DD773D785B167_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3C(N)CCCCC3" | 21 | "8F3229890AEE7886" |
"84666EBF7FFDC9D4_6472B6755AB868DE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCN(C(C)=O)C3" | 21 | "8F3229890AEE7886" |
"E74658B5B8561BD5_727D59CB6F3C96E1_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CC34CCOCC4" | 21 | "8F3229890AEE7886" |
"88FEBBDBE2ED0C11_EB459D1AED50AFD7_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCCC[S]3(=O)=O" | 21 | "8F3229890AEE7886" |
"9370EC6387B7B774_4C48EFB0A10769E1_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NN=C[N]3CCC" | 21 | "8F3229890AEE7886" |
"689F882F48F10370_F2CCC5BB30DE327D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCOCCCCCC" | 21 | "8F3229890AEE7886" |
"86E441C57783D630_73CA88C9D16DE511_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCCCN3CC" | 21 | "8F3229890AEE7886" |
"EE1A03331DB60B66_D312744A17F5406F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C(=CC=C3)F)I" | 21 | "8F3229890AEE7886" |
"658D51B9A1C3EDAC_97F2D5EFA45E9C1D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC=CC3=CC=CC=C3" | 21 | "8F3229890AEE7886" |
"CBF0842E12AE2CA4_2F6ECC3072EE3E4D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN(C)CC(F)(F)F" | 21 | "8F3229890AEE7886" |
"24DBDC12404B1D58_8B077D8F773A25FB_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN(C(OCC)=O)C" | 21 | "8F3229890AEE7886" |
"168BF55514353E66_83620C4ABB39E799_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCCC(C)(C)C3" | 21 | "8F3229890AEE7886" |
"3E823A1400BE5244_E9962325BA997FB4_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CN)CCOCC3" | 21 | "8F3229890AEE7886" |
"9FFD4CEC14BAC5C1_41C781A2AD53DAB9_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NN=C(OC)C=C3" | 21 | "8F3229890AEE7886" |
"1A4C2E088D0B9719_4A5C5BAE015C3512_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNCC3=CSC=C3" | 21 | "8F3229890AEE7886" |
"509934D8F3C18894_F475D86BA04041E0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(N)C(=CC=C3)F" | 21 | "8F3229890AEE7886" |
"41EFC703536C5DA7_81E5556E6A400768_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(NCCOC)(C)C" | 21 | "8F3229890AEE7886" |
"5D881FF809391890_8F001C0EB2A79612_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C(=CC=N3)Cl)Cl" | 21 | "8F3229890AEE7886" |
"5B589C8385433813_6CA1CA4EF998BB3C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3CCCCC3=O" | 21 | "8F3229890AEE7886" |
"EAB90B58DBC90FAB_9DD9CC55313A377E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCNC(NCC)=O" | 21 | "8F3229890AEE7886" |
"34F11AD3A3BA04BC_10FC86C316ACDF78_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC(N)C3=CC=CS3" | 21 | "8F3229890AEE7886" |
"3849C3E385BE2164_6EDD6535DE687F85_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3CCCNCC3" | 21 | "8F3229890AEE7886" |
"46F99A0DB1644445_9AF7818C0B6D0779_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC(=NC(=N3)N)N" | 21 | "8F3229890AEE7886" |
"8AF76618295F8B6F_EAA0B2AC48072D2B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC(=CC=C3)Cl" | 21 | "8F3229890AEE7886" |
"DAFC1C80E9B1193E_FA943D5823869C83_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC[N]3C=C(C)C(=N3)N" | 21 | "8F3229890AEE7886" |
"BE78EAD1A3DCA328_7A4C6AA4E3FF9BF5_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3COC(C)(C)O3" | 21 | "8F3229890AEE7886" |
"BD443FE333EDF73B_478B971BE7FCB53E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(CN)C=CC=C3" | 21 | "8F3229890AEE7886" |
"6224604706F772E4_67E1EAF6BFB1960D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC(CC(C)C)CN" | 21 | "8F3229890AEE7886" |
"B8832640639A363E_6D7F62A184850436_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3C(N)C4CCC3C4" | 21 | "8F3229890AEE7886" |
"CDCC73938B32B35D_608805DE78E217D0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CN(CC)C(C3)=O" | 21 | "8F3229890AEE7886" |
"2DEEC0838580D240_3B9973480670BCD2_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCCN3CCC" | 21 | "8F3229890AEE7886" |
"B3C1A01AD8B23DA5_F5FF1786C32D9407_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3CCN(C)CC3" | 21 | "8F3229890AEE7886" |
"1C1B2F9F74AD5B4C_E02928098B3EF9F5_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CC)CCNCC3" | 21 | "8F3229890AEE7886" |
"127FD7C58EB24AF7_CCD5EB083AB0D514_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C(=CC=C3)F)Cl" | 21 | "8F3229890AEE7886" |
"73B5AB9B45113D4F_331F126CDC5BE689_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CCC(C)CC3)N" | 21 | "8F3229890AEE7886" |
"EFD380B10F913ED9_CF4D0E1C4D04FB3E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC3(C)CCCN3" | 21 | "8F3229890AEE7886" |
"2880EFB6F64200A9_91AD4FD91B25A722_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3CC4CCC3C4" | 21 | "8F3229890AEE7886" |
"708EBBE19EAE4FD3_EEE1E7E361AD74B1_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=C(C=C3)CCl" | 21 | "8F3229890AEE7886" |
"F381915E11B8D34A_0F0BA6DAAD568026_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CCCCC3)C#N" | 21 | "8F3229890AEE7886" |
"0F8935030EA09B97_1908E9882C836D9E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN(CCC)CCC" | 21 | "8F3229890AEE7886" |
"100A3337B766DFDB_018921120BE37432_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NN=C[N]3C4CC4" | 21 | "8F3229890AEE7886" |
"DE2BBB7C5E65DE8D_D3593D5312EB6445_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)(C)C3CCCC3" | 21 | "8F3229890AEE7886" |
"A35EFCC32850CAA6_268B344051CF3AA2_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(SC)C=CC=C3" | 21 | "8F3229890AEE7886" |
"293E131117CA9C61_D59A46DAF571BF64_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(COCC)CCC3" | 21 | "8F3229890AEE7886" |
"7EC0A4734FB5BA0C_016C354A5DD5D1A8_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3CCNCC3" | 21 | "8F3229890AEE7886" |
"C8C1E8265F3E8FC9_1A61E707081B3599_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C3=C[N](C)N=C3)N" | 21 | "8F3229890AEE7886" |
"5071F9F32FA7CE36_18CAB114137EF8A2_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(N=C(C)N=C3)N" | 21 | "8F3229890AEE7886" |
"4D036C731C9FD0A6_2D91776806077D49_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(N)C=C(C=C3)Cl" | 21 | "8F3229890AEE7886" |
"89C0B5CF480F1EA0_C7247555299BECFD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3=CC=CC=C3" | 21 | "8F3229890AEE7886" |
"7C730C7984A53D41_12A30F59477C6ECF_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CCOCC3)C#N" | 21 | "8F3229890AEE7886" |
"323EE4EE231A890E_6F7666F223147754_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C)C=CC(=C3)Br" | 21 | "8F3229890AEE7886" |
"5EE24E26D9A99340_F48131856911E3FA_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3CCOCC3=O" | 21 | "8F3229890AEE7886" |
"74DA00D4F713FBFC_1C3704D6D70667FE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C)C=C(C=C3)F" | 21 | "8F3229890AEE7886" |
"34CB9E28467A951B_BA94F0ABDE9841CD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3CCCCC3" | 21 | "8F3229890AEE7886" |
"D7014FDAFD0D1EBD_1478B54AA4846A71_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=CC=C3F)F" | 21 | "8F3229890AEE7886" |
"B910E62F1434FB95_41E5DD38D15B8FE0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=CC(=N3)F)Br" | 21 | "8F3229890AEE7886" |
"A448BB11166D065C_FABFABE6973C35D1_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=C(C)C=C3)F" | 21 | "8F3229890AEE7886" |
"C7CD4793F990CC66_ED0885839B490D76_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCCC(CN)N3" | 21 | "8F3229890AEE7886" |
"D89AA900978CA342_30EBF1F651875193_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=CC(=C3)C)Cl" | 21 | "8F3229890AEE7886" |
"5B34DDFB9589615F_6B2D4D6D43562868_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CN=C(C)C=N3" | 21 | "8F3229890AEE7886" |
"C7B662320F9B32F0_A1BB5CBD3B1BD99A_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC3CCNCC3" | 21 | "8F3229890AEE7886" |
"C2E777FAC6FCA8E3_D391CFD06A9BAB18_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN(C)CC=C(C)C" | 21 | "8F3229890AEE7886" |
"90CA359B6D190131_9123584497D01E57_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=CC(=C3)Cl)Cl" | 21 | "8F3229890AEE7886" |
"E93F737F9D9260EB_A34B371D34D0986C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC=C(C(C)C)S3" | 21 | "8F3229890AEE7886" |
"073C7E58788601A6_87EAE825F1A5DE99_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC(=NO3)N(C)C" | 21 | "8F3229890AEE7886" |
"BDD9ACDE7C617473_F5BC6F92B238C2CE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=C(N)C=C3)Cl" | 21 | "8F3229890AEE7886" |
"469173F79D4BC1BD_8AA76F65466298E8_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=NN=C([N]3C)S" | 21 | "8F3229890AEE7886" |
"7F4FFB64CB2A719C_AF96C4AEA33485B9_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=C(C=C3)Cl)Br" | 21 | "8F3229890AEE7886" |
"A2A7CA5FCF064F07_1360B27966843C76_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3CCNCC3C" | 21 | "8F3229890AEE7886" |
"F4E8097A02C18652_FD94C25A77B81E92_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=C(C)C=C3)C" | 21 | "8F3229890AEE7886" |
"03052586E6F999AE_BC8848D96F2AE535_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CCCN(C)C3)C" | 21 | "8F3229890AEE7886" |
"FA11189456B61058_FAAD543D5E2EF0E6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC(=CC=C3)C#C" | 21 | "8F3229890AEE7886" |
"5B8CD1BAF1566C67_73CFFD399207209D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CC)CNCCC3" | 21 | "8F3229890AEE7886" |
"A9458590C0B5D335_64FE78C606E2C972_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3CCOCC3" | 21 | "8F3229890AEE7886" |
"91488B47B6564249_BCA55AB201962258_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=C(C)C=C3)Br" | 21 | "8F3229890AEE7886" |
"B7390FA1DDD7EB6C_C7EE4C66CFB1BFEE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC3=NC=C[N]3C" | 21 | "8F3229890AEE7886" |
"BE1B9A2189172C0C_FB9817FB11C7F5D8_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=CC(=C3)NC" | 21 | "8F3229890AEE7886" |
"6C9A9FE685B402F8_9D67AD92B3B39574_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)NCC3CCC3" | 21 | "8F3229890AEE7886" |
"1599240B4343F48E_498C579610B20A14_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(CCOC)(C)C=C" | 21 | "8F3229890AEE7886" |
"345F5723D79DC01E_D5DFC1A2C6873345_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C[N](CC)N=C3" | 21 | "8F3229890AEE7886" |
"349A42E1D461F36D_C29869C0CA10160E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=C(C=C3)Br)Cl" | 21 | "8F3229890AEE7886" |
"FE3A043D5F72620C_BCAFC6E102932BCC_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3NCC[S](C3)(=O)=O" | 21 | "8F3229890AEE7886" |
"EDD948ACA8D0B5A5_08D471956593E46D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=NC=C3)NC" | 21 | "8F3229890AEE7886" |
"571E72A931E9A62E_ECCD20C32C845890_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=C(C=C3)I)Cl" | 21 | "8F3229890AEE7886" |
"7918003ACFB83201_5A831A8DF72442F7_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C[N](C)C(=C3)C#N" | 21 | "8F3229890AEE7886" |
"017D7846FE79DF1A_8A2E0C9052AB2FA0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3C(C3)C4=C[NH]C=N4" | 21 | "8F3229890AEE7886" |
"57B966CE2557ED59_99632C428EF98BA2_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC4=CC3=C(C=CS3)[NH]4" | 21 | "8F3229890AEE7886" |
"BC9AA364A0DBFB47_A95F2B43D42118DE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCC(CC3)C#C" | 21 | "8F3229890AEE7886" |
"EA17DDE7A2016079_F39E0DF3A48A74CD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(OC)CCOCC3" | 21 | "8F3229890AEE7886" |
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