smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC(C)C1=C(SN=N1)C(=O)OC[C@@H]2C[C@H]2C#N | 60B6DF984EE4CABF_C99D48A2844EBFEC_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NOC=C2C | 291EC1327704B268_AF64919F9032B839_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC23CCCN(CCC2)C3 | F55E0CF30AB3E5C1_98ABDDB754A66254_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2C3CCCC23 | 876E55FE28FEF96E_CF535A722204B493_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2C=CCN2 | 3E97A74C701E70ED_67AFF0B2D26441BA_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC(=CS2)C3=CC=C(C=C3)F | 3FB2C9D4B5FBEA00_14DFE6FB49A7EA1E_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3 | 928483D992EC528A_9DEBC0CFB4930C23_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CN)COC2 | 2840D582E01833A6_FEBF8CD37801AF8A_6031_DP | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC3=NC=C(C2=C(OC)C=CC=C2)O3 | BE3EFBFDB9FF5F75_19871C3194EC5C69_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=C(C(CN)N)C=C2 | 4251817E89BADF3F_2B3423DFE7176303_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OC[C@]23CCC[C@H]2CNC3 | 336430AB7D90FD83_037D05E66AA9244F_6031_DP | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC=C(CCC=C(C)C)C | 2A0CFE20A70B1E0D_254F589B75188D3B_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CCOC)CCC2 | F07B89B75B38F9B4_4E25F0064A8AD5C8_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCCC(C2=CN=C[N]2C)CN | A21710959A2B62C5_290724D4F8EA8FF6_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC3CN(C2=CC=CC(=C2)C)C(O3)=O | AE300588212D30B0_99C598668C65B7BF_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@]23CCCN[C@H]2CCCC3 | 717D6D5124B66D72_2335EE7E44AB9883_6031_DP | 22 |
CC(C)C1=C(SN=N1)C(=O)OC[C@H]2N(C)CCOC2 | 48348A441B31E32E_784C0932BBFE0D40_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NOC(=C2)C3=CC(=CC=C3)Cl | 6B9EF320AD222B6D_C0C432F5179C148F_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(N=C2)C)C | F8174569A14A4DB8_CD627E987060D76C_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(C=C2)F)C3=C(C(=CC=C3)F)F | A0C819B9A0945A07_8CAFB3F6DF59F927_6031_UN | 27 |
CC(C)C1=C(SN=N1)C(=O)OCC3=CC2=C(C=CC(=C2)C(OC)=O)C=C3 | FBFEFF645098A07A_3A6740772F608E23_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCCCCNCC | B2F42B158EABAD60_C10DDC67A7FA52DB_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2=N[N](C)C(=C2Br)Cl | 51D8E304BBF32AA0_4996779D049EA2CD_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=CC=C2)C3=CC=C(C=C3)Cl | 9954838EF79F6505_7C015B7A59760E33_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC[S]2(=O)=O | A125D8B0E8EBEA8D_EE2F05F39956E181_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC(NC2=C(CC)C=CC=C2C)C | D937DE7F1C080B62_36D3C26AE1380CAE_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OC2=C(N(CCCCCC)C=CC2=O)C | 7FF6BCC95BE8E0B9_58CEDBDDF7834CB6_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=CC3=C2N=N[N]3C | BD8A58E2CCB571D6_4A6DDD1B54460547_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC(F)(F)CN2C(=O)OCC3=CC=CC=C3 | 311870EA175BA880_921A7F444628576B_6031_UN | 29 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC(C)N2 | 4445C01ADC1B261E_C9C0DB2C993F2422_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2=N[NH]C3=C2CNCC3 | 3573F3B68B4BF353_940BA80EE3C08BF5_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=N[N](C)C3=C2CCNC3 | 411BE41F156545A7_B828DFE31036DDF9_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC[S](=O)(=O)C2=NN=C[NH]2 | 9F4424D9D9166C5E_A6B027C2B9CAF93B_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)C34CC2CC(CC(C2)C3)C4 | D700A90EFCB1449C_D5293C166F2D77A6_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC(Br)C2 | 69F6022F819B8A51_E55A359608E9B305_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OC[C]2(N)C[C]3(C2)C[CH2]C3 | 04A3629990010906_6F27C42A11542021_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2C(C)(NCCO2)C | F69E400F0E777477_3B87B5F4EB6A6E88_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC3(COC)CC2OC2C3 | BC8E36A87B42D306_7DD7A141866729D7_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2(C(C)(C)C)CNCC2 | 75356004016DD9D1_004E67F08A74A0FD_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=CC(=N2)C(C)(F)F | 275F6A5BCC29A2EB_0A76AF5D2F220C8F_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2CCC(C(C)(C)C)CN2 | 8E3F8FFAE09A4CA0_ED3CE1B865B71D23_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCCC2(N)CCC(F)(F)CC2 | 423C586F3F7D4E7E_77C343258FDC0B33_6031_DP | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC23CCC(CN)(CC2)CO3 | D0419E1178ECE766_797D40B2DBC8C839_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@]23[C@@H](C(OC2)=O)CCN3 | DE5237684085369E_9B7E77156751AB71_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=N[N](C)C3=C2CNCC3 | 79608E581686AADF_ABBAB4C62D38A745_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(C=CC(=C2)C3=CN=CC=C3)F | AC1DF274A48501E1_ED547E0BBFB5A0BB_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC23CC(N)(C2)C4(O3)CCC4 | 8911843555F476D1_A0B8C3963F91FD68_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2OCC3(NC2)CCC3 | 40898C19C3EC240A_7BDAF8559BB705BB_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2C(CCN2)C3CC3 | 4ABE8725FD18C270_82EE89B272FBF374_6031_DP | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC23CC(N)(C2)CO3 | DC086E3B0ACFB197_A2D261DC2DF4DC9A_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=CC(=C2)C3=NC=C(C)C=C3 | 2C09BAC4CCD0229D_DBBFB23A8A82C698_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C[NH]C(=N2)Cl | 4AE9DC89C1B09EBB_1763ACB7B552DEEC_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)C2=CC(=CC=C2)I | 5FF40656C083C27C_471595073AB93B60_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC(Cl)C2 | FF893C50F8555239_36716868FA1B8A3C_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC3=C(C=C2)OC(=N3)S | 89825DE0DC8A28DC_1B7EEA0DB047D1A8_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC[C@@H](N)C2=CN=CC=C2 | 438FE4804CAD30A3_E650064628BDE04D_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OC[C@H](OC)CN | 19A8C4F8D49AC8C4_13C51516DDA67F9A_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OC[C@]23[C@H](N)C[C@H](CC2)C3 | 3DF837CDEB7D64DB_8A8910DF8C367261_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC(OC)(C2)OC | E14034294EA8AB24_5EBDBC08783AF398_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2(C(OC)=O)CNCC2 | 40CA913C8AD8B549_BD1BA8E9DD8314F7_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC23CCC(CN)(OC2)C3 | 3DDD645F0187C0FD_45F2D93B13B05EC0_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC23OC(C)C(C2)(N)C3 | 32B792A8FB289FE1_B0544EE7053C111E_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=CC=C(O)C=C2 | 36D9FAFB3710F42B_C0911123B76FA9BC_6031_DP | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC3C[N]2N=CC=C2CNC3 | 13B9255C3FB1415F_F7F9CC6AE6A15DB8_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2(C(OC)=O)CC=CC2 | 1A8F8C5747C1BEA5_4B8D08F1341E7FB5_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NN=C(Br)S2 | 7C7E6720B863C5E4_2C2FDE456712FA31_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CCNCC2)F | F84F324602CED42B_987ABDF98FCE58D1_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC(COCC2=CC=CC=C2)OCC3=CC=CC=C3 | DDB2014CF78CF1B9_D0CCFC73806F393B_6031_UN | 30 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=CS2)C(F)(F)F | 1FEB38C900013E11_9B1879C073ED6DCA_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CN=CO2 | 8F7A2CFB9CD52BCC_4240CABD34FDE5F8_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCCNC2=NC=CS2 | A38C82A2F0B9A1D4_9EC734CBF94D9EAB_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCCN(C)C(=O)C | BB8053F4D17E0DD4_A0F7951B0A015428_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2=N[N](C=C2)CC3=CC=CC=C3 | A92710DC3CF1FA8D_D971EAFF56449936_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC3=CC2=CC=N[N]2C=C3 | 9982E82E94C01989_AFAF915E9A21E3DA_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC(=O)CO2 | B71B81E453B95EE6_2FC1E3EAE4A49CA1_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC23CC(N)(C2)C4(O3)COC4 | 2A761B643FD26046_A8CE594B73E1A5F3_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NN=C(OC(C)C)C=C2 | 5623CD0E525A46F4_5A6FA868A8721F0C_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCCC2(N)CCNCC2 | B4194C9A98FA0BFB_88CC0BA55F5CB52B_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCCOCC | B1E9D240E527E590_B48B38B5C84415F2_6031_UN | 16 |
CC(C)C1=C(SN=N1)C(=O)OCCOC | 657CE7F786D4F0F3_38BF25074C972FC5_6031_UN | 15 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=CC=C2)OCC3CC3 | 2E30096D0581AD13_1E27796545030079_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC(C)(C)CC(=C)Br | 8AB7B6BB155134A8_4709DE15A347E088_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC[C@@H](N)C2CC2 | B15FB8665ED561F4_C088DD3739F2624D_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2CNCC(O2)C(F)(F)F | E4E35AF7B36835A8_F7311613CA6FBC25_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC(F)(F)C2CC2 | A2E498D7D4C4696B_FDB98D90D2409249_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC(=CC=C2)CBr | A477AC859D44D63C_BD7A84AEFA988386_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C3C(=CC=C2)NCCO3 | EC83F728C4EE76C4_6583E1D48E8E8DC9_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CC(F)(F)C2)C3=CC=C(C=C3)Cl | C4241905F8809059_B0F406A694960817_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC(F)(F)OC2=CC=C(C=C2)Br | 7FE1AE8230E1A1C2_84CB53279DEA5B41_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=C(C=C2)OCC[N]3C=CN=C3 | 9A899BA9D30C7069_895CA1BE9E0EEE34_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=CC(=C2)C3=CC=C(C(C)=O)S3 | 014506F85CF25B19_8544604DD000874F_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCCN2C(N=C(C)C=C2C)=O | 8B90983BD6E97D5A_CF808A5D760AFB91_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=N[N](C)N=N2 | 03D1D81687F58C57_815459C077DEB60C_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2CN(C(=O)O2)C3=CC=CC=C3 | 3C95BA518BD523B8_9F8DBF777E7A40AC_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CC2)C=C | 931CCC65AF6F02D2_2C30DD7AFF41414C_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OC[C@H]2NC[C@H](C2)Cl | 06B7349227BCE990_FDA0C3A6170E421D_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CCCCO2)C(F)(F)F | 96B46CDE2F69C46B_265AD94F454EE6F1_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CC23CCNCC3)CN | 384FE2D0F30C7538_4AB28E2D338BF58A_6031_DP | 22 |
CC(C)C1=C(SN=N1)C(=O)OCCOCN3C=C(CC2=CC=CC=C2)C(=O)NC3=O | 49A5B932912087D5_C09E37D71CC14832_6031_UN | 30 |
CC(C)C1=C(SN=N1)C(=O)OCCC(CN)C2=CC=C(C=C2)C(F)(F)F | 4C0795B0E7FCCB1D_3B8A1AB45B01FA4C_6031_UN | 26 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.