smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCN3C(=CC(C=C3C)=O)C)=O | 2B64E464F7C9E2D1_68F9A083942E1E2F_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C([N](N=C3)C4=CC=CC=C4)F | 7F90DC8905398F3F_C033E0BBA782C721_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(OC)CCC(CC3)C4=CC=CC=C4)=O | 9D16E8D2F6360D51_468B4D7377CC769E_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC=CC(=C3)C4CC4 | 72ED41BE98F0699E_7578F201C4F99606_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=NC4=C3N=C[N]4C)=O | C1D848763DAE446B_7EE25C68CBA7C728_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=C(S3)C4CCCO4)=O | 37D329B63B7BF576_C4D1DFB3056872FC_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC(C)=C)=O | 48B88815D5A8C967_6FC9998BF651F759_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C3=CC=C(OC)C=C3)OC=N4)=O | 271E088C277C410D_907C9935B9E13ECB_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4CCN(CC3=CC=CC=C3)C4 | CF787E0D2C94CA16_F4C44F7A99EE65D6_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)(C)C3=CSC(=N3)C4=C(C=CC(=C4)F)F)=O | 9DDE58A250613D4D_FECFB4A26E61DDAE_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCCCC3)C4=CN=CC=C4 | 55DE97732FF3FF2B_98415F8CCA1ACC66_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(CC3CCNCC3)C=CC=C4)=O | 417477601EFAB106_D9CA55C14AFB2A8B_6038_DP | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C([NH]C=C3)C4CCC4 | E8DD203F1CF97C89_DBA53748B3F6AAD2_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3COCCNC3)=O | 87B84935189DA289_51DED85883B97D00_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CC=C3)OC4CC4 | 21A01FAF1ABB8FED_22EDA35C1E05C0D1_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(SCC)C)=O | 65C91165DE7ADC32_ABD9DC30237F83A2_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](C)N=N3)=O | 4DA709A123C68E3C_9F5CB0E4DA70BBF4_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSC(N)=N)=O | BB22CF0D06EDEE96_A3C04BDACE201EB8_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=C(C(=C3)Cl)Cl)=O | 862133A84DCDF307_977784EA17C880EB_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)(C)C3CC3)=O | 808E664D76434EA8_27802A79CFB1F237_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=NC3=C(C=CN=C3)S4 | 691A7750758B30EB_88DAC851B16742CB_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN(CC)C(=O)C=C)=O | 552D0D5337713C9A_9137C0FEF49EFCFD_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3CC(CCC3=CC=C4)=O | 0E452A9AE5DDD686_60628A92E05471E9_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)COCC3=CN=CC=C3 | CC4C03B47EF4608B_9D7B196B43690722_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@H]3C[C@H]3C4=CC=CC=C4 | 4F43ED7DD8F19283_FAAF667A4DFF90E6_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC34CCC(C(CC)(C)C)CC4)=O | F5745497DDFB47E4_FB6451F1F4A24D0B_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(F)CCOC3 | 2EAD5B838CAC0669_D1E4E5903576059B_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C(=CS3)C4=CC=C(C)C=C4)[N]5C=CC=C5)=O | C6E28FA6A67C5D54_0D223E6A5918D8A1_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[NH]N=C3C4=NC=CC=C4 | 08E1CC9DCB3B3F80_641FA6EBD31F66E2_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCN(CC3)C4=C(C=C(C=C4F)C#N)F | 7F779BA5E9ADAF57_5F5615E4CA54A86E_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C3OCC(C)C3=CC=C4)=O | DAF04692A872D649_2377ECD3E7437452_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C3CN(C)CCC3)(C)C)=O | 6077F45C51F998F1_7863EFE11566D5CE_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C(OCC)=O)CCOCC3)=O | EF317FA60160AA10_B71C6084BD5B850E_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C(=CO3)C)C)=O | 7FFA7DAA38D730F9_A07F0444F4403A74_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(=O)CCC=C | 4FFD30C9F4A1AFB3_79A42DED285E5592_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=CC(=C[N]3C)[S](=O)(=O)N)=O | 2CD954BED98FD7FB_C8EC63F669A3CB5A_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NOC4=C3CNCC4)=O | 5DD9F5FCE066DE83_4E010179DA34DDDD_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCCC3=CN=CS3 | B628615243709727_B4574DF4FB35BE24_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)COC3=CC(=CC(=C3)F)F | A8E5C860AF7EBAC5_0801E0AB6C417DF6_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NC=C(C(C)C)C=C3)=O | 471490F96B64A77A_62CC464FFF4838A7_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSC3=NN=C(CCC)[N]3N)=O | 43FEE646A9BC47E0_BCE4C79C6BF0DDA8_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC(C3=NC=C[NH]3)C4=CC=CC=C4 | F658CCCE088D8CF0_C2199F8BC4BA0033_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=C(C=C(C=C3F)[N](=O)=O)F | 36E2ED1FF08E924D_5C5FF1C60398E4C9_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C(C=C3N=C[NH]C3=C4)F | 7FF98B4EC1C268AE_CFFB9C1008EB707B_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCN(CC3)C(=O)C=C)C4=CC=CC=C4 | 4332ECF5AC38C011_B1E58246F07EAF20_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(COCC3=NC=N[N]3C)=O | 86C7016AA6869DFC_07F343655381C485_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C([N](C(C)C)N=C3)F)=O | F84510B02376B715_C4ADD6E3757DDD75_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCCCCC(=O)C3 | 9E46C51FD2C66AC2_03C4CA2D1790EEF0_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=C(S3)C4CCCOC4)=O | C8CEDCCE5FB9A8C7_558B069B15541352_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCN(CC3)C4CSCC4 | 5847BCB9A3B85713_3EE20825710E909C_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(COCC3=C(C)N=CS3)=O | 6F14741D1972C125_68CAFE606CA00B60_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCOCC3)[S](=O)(=O)C4=CC=CC=C4 | 7271728AD7228536_9750302B7B96597E_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4CN(C3=C(OC)C=CC=C3)C(CC4)=O)=O | 6F3BBEA007CEEEFC_AA5AC5DF99D72E7D_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=CC(=NO3)C)=O | B270B0637E810968_234DDA3281FBCBFC_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NC(=NC(=N3)N(C)C)N)=O | 1CB066FA9113772E_0B77A680B0770698_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4(C)C5CC3=C(C=CC=C3)C45)=O | 11E54460914C2A7E_39E47D10A6EC484F_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=C(S3)C4CCOC4)=O | 6776BDB475F6E45E_2CCADBDB936ABC68_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCCCC3)[S](=O)(=O)C4=CC=CC=C4 | DB90A4746E0C1E60_A8A78B78AA397C5A_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CSC=C3C(OC)=O)=O | 78188E3EC1850B4D_6D45BB4ED4DC06CD_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H](C(C)C)N[S](=O)(=O)C3CC3)=O | 76882EEB8A2A4F1C_64AC105364D1748E_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCN(CC3)C4=C(C=C(C=C4)F)C#N | A7C55DE51C107C92_CA7E4158150FB364_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H](C)CC3=CC=CC=C3)=O | C9FC5E85FCEF8E99_DB1FC4FB1C7E6417_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3CCC(CCCC(C)C)CC3)=O | 6A521C9833413BDC_24E0E2E7319A8990_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C(C)NCCC3)=O | C8362E7F77AA658B_64C354ECD7061E7F_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCCCC3)[S](=O)(=O)C4=CC=C(C=C4)F | 84FA01189B4459B9_BE1DD4B6A99530E6_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC(OC3=O)C4=CC=CC=C4 | 4B8C03D6965C9990_BABBB89C7010DA52_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(OCC)C=CC(=C3)[S](=O)(=O)N4CCN(C)CC4)=O | FF4D15853A7B512F_51F58AABF0E963E7_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(C=CC(=C3)C)S4)=O | DCA11C981D75941E_337A54BDFF50F456_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(F)CCCCC3 | E64B70A29F2E4B51_56A6720F2F0DB359_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4(CC3=CC=CS3)CCCCC4 | F3A8EBA68582285B_3411E4D200A8A833_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=C(C=CC=C3)C[S](=O)(=O)Cl | 79DE9F422D9EB632_4E6DD1608C0E66D3_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CN[S](=O)(=O)C3=CC=C(C=C3)C#N | 803D8275EF5600B4_C5EDCDABF837F6F4_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCOC(O3)C4=CC=CC=C4 | 3F535DA6A2A7A09D_AA02C62FBC23B656_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=CC=CC(=C3S4)C)=O | FCB0DEFD3AB8DB50_14B8E7108203ADD4_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN[S](C3=C(C=C(C)C=C3)F)(=O)=O)=O | 604AA31CDD56A892_EBB77544856643C9_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CC[C@H](C(O)=O)O3)=O | 2DCA8FA53D4552BD_D8C75F327C9618B9_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(OC=C3)[S](=O)(=O)C4=CC=CC=C4 | E95D4BDDCF492370_A215E9FCCC29DE89_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCN(C3)C4=C(C=CC=C4)F | 0A7D0ECEE4BA81CC_5C541F659E350DE6_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NOC(=C3)N)=O | 17266704BBBD8780_EE2D1ECCA17B3ABF_6038_DP | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC(OCC)C3)=O | B1B4273AB97EF121_75531AD31865BEA0_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=NC3=C(N=C[N]3C)C=C4)=O | 977319F7EB0BD7C2_08AAB2018C297E87_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(N=CO3)C4CC4 | D685B5821B11530B_700A3AF611F625AE_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCCC(C3=CC=CC(=C3)OC)=O)=O | 28C4F0411189D514_2BA8B48FDD0BF4B6_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(CCN(C)C)C=C3)=O | C6AFD937A5FEA19F_942BD66947936857_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(CC(C)(C)C)C=C3)=O | E1B66898C58A160D_D0B6EA0E8A3B5EE5_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCC(C)C3)C)=O | 7524D428D8DB4DCF_711D44E6245F024E_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CC3)C#N | E6DC7B5528371B34_2D95F972BF80FEC8_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCCC#N | 73401691BA0ACA10_A8AC96BCECD1D7DB_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)(C)CC=C)=O | 7B2C3A94E81D2A9D_DC8271C5489312FD_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=C[NH]3)F | 62AA89D04B152283_2E86CCA8BABFC0F4_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4(NC3CC3)CCC4)=O | 33930BB3E8C5CB0D_5BFBCB743A294E48_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C(=CC(=C3F)C)[N](=O)=O)F)=O | D835BB75BDFDEB00_B3EADC438F5DB61D_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C(C)CN(C3)C)=O | 309CE7987EA1565A_58F52C599545D0C8_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(COC)CCOCC3)=O | A74635BC5ACAAA93_AE9AC616DDF15CAC_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(C(C)=O)[NH]3)=O | A31548F254C81351_2575841F2E0FF00E_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C3CNC3)F)=O | B57D80B2FD2A54BB_9B123B7A5D436E3A_6038_DP | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(CSC)C=CC=N3)=O | D119A10F85179062_1EB4DE3819C1D5C8_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(C(C)=O)CC3)=O | 0F4CB35EB17BE550_D43EE1F483CADC57_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=C(N=C3)Br)Br | 11CE9E44AB1AAFF5_BC3E0A321933A62E_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC4CCC3CC4 | 7345379709F26F62_911B6CAD7B1F8AB6_6038_UN | 24 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.