product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"1746339FA7261CE2_DB9DE4978B5A12FD_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(CCCCCC)C" | 21 | "2ABD1A31041160FA" |
"5E8A2FDA4F6F70CE_648E09DE116236AB_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(N=C(C=C1)F)Br" | 21 | "2ABD1A31041160FA" |
"2A761944C1BC916B_FF832EE32E095591_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC12CCC(CC1)CC2" | 21 | "2ABD1A31041160FA" |
"2E81908DFCCA9E75_39890C8DBF53D3C2_6031_DP" | "COC(=O)N(C)CCCC(=O)OCCC1(N)CCSCC1" | 21 | "2ABD1A31041160FA" |
"B13FE90BECB9D271_E183D9FD78036EF8_6031_DP" | "COC(=O)N(C)CCCC(=O)OCCNC1=CC=CC=C1" | 21 | "2ABD1A31041160FA" |
"0BEB778B0767184C_FE5CE93D33F37723_6031_UN" | "COC(=O)N(C)CCCC(=O)OC[C@]12CCC[C@H]1NCC2" | 21 | "2ABD1A31041160FA" |
"FF1A10C4BF0FE515_DFC61180B0B34B6D_6031_UN" | "COC(=O)N(C)CCCC(=O)OC[C@@H]1C[C@H](CN)CCC1" | 21 | "2ABD1A31041160FA" |
"AD0F27AB24FA65EA_C57341DFC4CD685F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(ON)C1CCCC1" | 21 | "2ABD1A31041160FA" |
"860297AC27EF98FE_7D97ABB19D0D8B34_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1N(C)C(CCC1)=O" | 21 | "2ABD1A31041160FA" |
"5D3788D7C4C7AFDB_6A9F4D193485CEE9_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCCCC(F)(F)F" | 21 | "2ABD1A31041160FA" |
"6FE4D0573975A89E_23DAFB36EE67FDD5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(N)CC1OCCO1" | 21 | "2ABD1A31041160FA" |
"5D829B0C982C08E8_9A5AECBE76997925_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C=CC(=C1)Br)Cl" | 21 | "2ABD1A31041160FA" |
"0BE366DB45AB05FE_FB98A548406B297B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCOC1=NC=CC=C1" | 21 | "2ABD1A31041160FA" |
"FCE9D8C4CF0AFC99_FBF8501245FE3193_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(N)CC1CCCO1" | 21 | "2ABD1A31041160FA" |
"5AD7CFCADC42F87F_49391D39D4A45568_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC(=CC(=C1)C)C" | 21 | "2ABD1A31041160FA" |
"4B9FB36DD519394F_86041737E9575DAE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCOC1=CC=CC=C1" | 21 | "2ABD1A31041160FA" |
"13DE23C1B5CA04CA_565472359F559C63_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCCCCCCC" | 21 | "2ABD1A31041160FA" |
"3DCC2BC85AE7A750_462F6760703B715A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCNC1=NN=C(N)[NH]1" | 21 | "2ABD1A31041160FA" |
"29277ED753BBFB5A_93AA00CD1C0D15A1_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCC1=CN=CC=C1" | 21 | "2ABD1A31041160FA" |
"AEC03C034F7392BB_60CFE75BB5CB3443_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC=C(OC)C=C1" | 21 | "2ABD1A31041160FA" |
"6266898E568AA656_A6C69565B69BC2CA_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(N)C=CC(=C1)Br" | 21 | "2ABD1A31041160FA" |
"A28969F4EF115F8C_F708C7CF60683B3C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCC1CCCCC1" | 21 | "2ABD1A31041160FA" |
"261E1A4F9769113D_26BBA9029F0A5463_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC=CC(=C1)OC" | 21 | "2ABD1A31041160FA" |
"8C1317FBD6649938_4DF57BE4E5FDA308_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCC1=CC=NC=C1" | 21 | "2ABD1A31041160FA" |
"FE59A225AA8A318A_7012E22CAB633144_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCC1=CC=CC=C1" | 21 | "2ABD1A31041160FA" |
"469B428CDACA2E09_E98F9A263FCE5972_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CC1(C2(C)CC2)C" | 21 | "2ABD1A31041160FA" |
"CBFEAA8B581354ED_DC3623CF3A8F860D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC(N)C1CCCC1" | 21 | "2ABD1A31041160FA" |
"347059CBD60E6004_8323AD8678C90710_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1C[C@H](C)O[C@@H](C1)C" | 21 | "2ABD1A31041160FA" |
"90F86BAC31433F26_BD890488ACC8EFCE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C[N](N=C1)CCF" | 21 | "2ABD1A31041160FA" |
"C82B23ED9E0A2938_B3C9AA505DD2B9F1_6031_UN" | "COC(=O)N(C)CCCC(=O)OC[C@H]1C2[C@H](N)CC(C1)C2" | 21 | "2ABD1A31041160FA" |
"D92EB6DA354624EF_39E3FA817A9DDFB5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC[N]1N=CC(=C1N)I" | 21 | "2ABD1A31041160FA" |
"CA52C3E9061BD49E_763BF25DD611E3BC_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(CC)ON=C1C" | 21 | "2ABD1A31041160FA" |
"3FD377DACA5D7812_FFCE0296FFF20F67_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C(N=C(C)S1)C" | 21 | "2ABD1A31041160FA" |
"04A195AD41EB7438_1A771E342EBD1D4C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC[C@@H]1CC[C@@H](N)CC1" | 21 | "2ABD1A31041160FA" |
"AD0F27AB24FA65EA_77E3843C10EDA423_6031_DP" | "COC(=O)N(C)CCCC(=O)OCC(ON)C1CCCC1" | 21 | "2ABD1A31041160FA" |
"431A1AA38A7787CF_230DDEED08A5596B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC=C(C(C)C)O1" | 21 | "2ABD1A31041160FA" |
"600DE966819587F3_BF31B3B43CCFAA9E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CC2CC1C3CC23" | 21 | "2ABD1A31041160FA" |
"340F0D41D5D17066_6F132273C2E9CE1C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1(CCC#C)N=N1" | 21 | "2ABD1A31041160FA" |
"8E461581F2A6B464_CA102EF047845EEF_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1CCCC1(F)F" | 21 | "2ABD1A31041160FA" |
"20C9BA2E514FA33A_B2E984CB1EA4462C_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(C)C1CCOCC1" | 21 | "2ABD1A31041160FA" |
"D60760BB47BD5D65_6546B51BF1D3AA8A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C=C(C=C1)Br)Cl" | 21 | "2ABD1A31041160FA" |
"71DB82BE51F420BE_ADD19DB1094B28DC_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC[N]1N=C(C=C1C)N" | 21 | "2ABD1A31041160FA" |
"E31E2185D7734026_D4353288770A7CE0_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCN(C)CC(F)F" | 21 | "2ABD1A31041160FA" |
"C719095F08B94F18_8F012C2D5ABF27C8_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CON=C1C2CC2" | 21 | "2ABD1A31041160FA" |
"0024B087E5FDF322_C7458F824273E8A3_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=N[N](C(=C1C)Br)C" | 21 | "2ABD1A31041160FA" |
"3A2FBACABF9A82D5_4B09907CF882974D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C[N](N=C1OC)C" | 21 | "2ABD1A31041160FA" |
"BA4F29E5E63FF098_9AA530153C65E8B9_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCN1CCC(F)C1" | 21 | "2ABD1A31041160FA" |
"9828A02239178275_67D92B4413A9ABF5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CCCC=CCC1" | 21 | "2ABD1A31041160FA" |
"667A24149E09B032_6F13C60BE0DEB6B9_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC12CC(CN)(C1)OC2" | 21 | "2ABD1A31041160FA" |
"A32BE3B877F8C72B_364866C6C70E01F4_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C(C)NNC1=O" | 21 | "2ABD1A31041160FA" |
"20E9CDBB6040A99F_8E8D1EBCBD361713_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC2C[C@H]1CC(N)[C@H]1C2" | 21 | "2ABD1A31041160FA" |
"703F3B867BA27407_09D714F20D9BBE21_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(CCN)OC=N1" | 21 | "2ABD1A31041160FA" |
"27217602106C01D0_D09D6DD6C47CEA65_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=NC(=C1)Br)Br" | 21 | "2ABD1A31041160FA" |
"A77D83E412C08647_4E832296E094C017_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C(C)C)OC=N1" | 21 | "2ABD1A31041160FA" |
"4AE073B24526DF90_6CBA442E2D5EEBB1_6031_DP" | "COC(=O)N(C)CCCC(=O)OCC1=CC=C(CN)C=C1" | 21 | "2ABD1A31041160FA" |
"3D384E8031DC3BD9_6994E6AB4205DC86_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NOC(=N1)C2CC2" | 21 | "2ABD1A31041160FA" |
"0685522038212180_909F9F8F5F0C11BB_6031_DP" | "COC(=O)N(C)CCCC(=O)OCC2=CC1CCC(N1)C2" | 21 | "2ABD1A31041160FA" |
"82C105D9419BD659_DADDB450AF9AE5B7_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCOC1(CN)CCC1" | 21 | "2ABD1A31041160FA" |
"F8ECD0B2113B2D18_897310475A22EBC1_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC[C@H]1CCC[C@@H](C)N1" | 21 | "2ABD1A31041160FA" |
"DE4714DA2B6428EB_FE4EE6B4C7854A6B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(C(C(C)C)N)(C)C" | 21 | "2ABD1A31041160FA" |
"D1013801CBF99D54_682AF5E93975321E_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC2C[C@H]1C[C@@H](N)[C@H]1C2" | 21 | "2ABD1A31041160FA" |
"4B04DF6082CA268A_294441185FD4BA30_6031_DP" | "COC(=O)N(C)CCCC(=O)OC[C@@H](N)CC1=C[NH]C=N1" | 21 | "2ABD1A31041160FA" |
"3578E9084DC261E0_CB74535D018BD332_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NN=C[N]1C(C)C" | 21 | "2ABD1A31041160FA" |
"EA7CBEA7DEC33800_3081F84CD989FFE8_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCSSCC(OC)=O" | 21 | "2ABD1A31041160FA" |
"A725A2484D19B8DF_D7520BF303FDCFCE_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CNCCC1(C)C" | 21 | "2ABD1A31041160FA" |
"AC5279B3BBFC1127_B2AC6A3FFB8B7F7B_6031_UN" | "COC(=O)N(C)CCCC(=O)OC1=COC(=CC1=O)CN" | 21 | "2ABD1A31041160FA" |
"9934D02D89619B0E_5A010197810257D4_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC=CC(=C1)C#N" | 21 | "2ABD1A31041160FA" |
"AB9BA6CEBA8F5801_5FE19B749A34CD77_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC(N)CC1=NC=CS1" | 21 | "2ABD1A31041160FA" |
"2D2D1093796C5D11_49C277DAAB0D1ECC_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=C(C=C1)Cl)F" | 21 | "2ABD1A31041160FA" |
"0AF6EE4EBA479095_1B556B9A4CCD6597_6031_DP" | "COC(=O)N(C)CCCC(=O)OCC1CNCC12CNC2" | 21 | "2ABD1A31041160FA" |
"7025632AD3D88E7A_39C9290226F3509F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NOC(=C1)COC" | 21 | "2ABD1A31041160FA" |
"D313A35A19D19724_F7849E3D1AC9C7AA_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCN1C(=O)CCC1=O" | 21 | "2ABD1A31041160FA" |
"84947F6AC68A8800_1769B8337583BC01_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C([N](CC)N=N1)C" | 21 | "2ABD1A31041160FA" |
"6863320678435E6B_DC12F596462BB286_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1COCC(C)(C)O1" | 21 | "2ABD1A31041160FA" |
"055900A3238FF56A_40D70C8AD2A0868D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1C(CNCC1)(F)F" | 21 | "2ABD1A31041160FA" |
"00485CD13422FDE2_E69E41834B91E4F2_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1CC2CCC(C1)N2" | 21 | "2ABD1A31041160FA" |
"765B9F897194D2DD_762AAEFCB46F656A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C=C(C=C1)Br)Br" | 21 | "2ABD1A31041160FA" |
"870611F82B706C97_037084FC7E0ED962_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C(C=CC=C1)Cl" | 21 | "2ABD1A31041160FA" |
"E112B320D3233FBA_07C22CD7351D87B5_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=NC(=C(C)C=C1)F" | 21 | "2ABD1A31041160FA" |
"94DE372D0F53F44A_E372B07118BA0CBB_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(C(=CC=C1)Br)Br" | 21 | "2ABD1A31041160FA" |
"4286F960E433D65D_7E746F8E9B28DC6F_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C(C)C=CC=C1" | 21 | "2ABD1A31041160FA" |
"B6E63347E24BD151_2CBC0A71B73FCAF4_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC(CC(C)(C)C)N" | 21 | "2ABD1A31041160FA" |
"31744C669F7D6D4C_77F9E18C14409D85_6031_DP" | "COC(=O)N(C)CCCC(=O)OCCC1CNC(C1)(C)C" | 21 | "2ABD1A31041160FA" |
"296BECFDB0BD0C47_AC6C5DAF0506B835_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=CC(=CN=C1)Br" | 21 | "2ABD1A31041160FA" |
"99D6133BB3F7C330_768418FF5EDAEA68_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC12CC(CO1)CCC2" | 21 | "2ABD1A31041160FA" |
"C7D35B096CA2FB4F_09035178FD815241_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1C(F)(F)C12CCC2" | 21 | "2ABD1A31041160FA" |
"339511FACF460653_93D50AD7D3928FD7_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC(C)(N)C(F)(F)F" | 21 | "2ABD1A31041160FA" |
"0DCCF8A0BB069DCE_A89A5BBA6322CF81_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1=C(C=NC=C1)F" | 21 | "2ABD1A31041160FA" |
"77B3EA0A5DF879BE_23E29FE3C680A94D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCCC1CCCC1" | 21 | "2ABD1A31041160FA" |
"50ACF69DF34F5738_8AF2522268728725_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1CCCCN1C" | 21 | "2ABD1A31041160FA" |
"BDA2C282D96F9ADC_8D1D9FA377D0FC8B_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=C(N=C(C)N=C1)C" | 21 | "2ABD1A31041160FA" |
"CF5759C5A165265A_02F99D55BD563970_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(COC)CCCO1" | 21 | "2ABD1A31041160FA" |
"D145F4DBCD98B4F4_04B0DB43430594D7_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(CC)CCCN1C" | 21 | "2ABD1A31041160FA" |
"4C8F16C9E59316A1_F616F48797B5EC29_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(NC)CCSCC1" | 21 | "2ABD1A31041160FA" |
"8FC2D96D5FC4EFB4_1D9F54611D69C2A1_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1(CC)CCOCC1" | 21 | "2ABD1A31041160FA" |
"F266B040B7B19F39_62F0FBE82D1FF1B6_6031_UN" | "COC(=O)N(C)CCCC(=O)OCC1=CC(=C(C=C1)Cl)C" | 21 | "2ABD1A31041160FA" |
"52813CCB296D7D33_4D1D40DE27AB673D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCN1CCNCC1" | 21 | "2ABD1A31041160FA" |
"979C2C70C54BDA46_87473EA13BE0E08D_6031_DP" | "COC(=O)N(C)CCCC(=O)OCCC1CCCNCC1" | 21 | "2ABD1A31041160FA" |
"2B21A3241DCF43A5_77A20C7C0F4DC19A_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCCCC1CCCO1" | 21 | "2ABD1A31041160FA" |
"2722D45B17CF7820_41BBAC4263A1410D_6031_UN" | "COC(=O)N(C)CCCC(=O)OCCC1CCC(C)CC1" | 21 | "2ABD1A31041160FA" |
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