smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCOCC3)C4=CC=CS4 | A5FA4002236954DB_15CB8797333FD18B_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)C3=C[N](N=C3)C)=O | 82A857D564EBABD7_B2AE9BEDD1E0C046_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)C=C(C=C3)N5C(=O)C4=C(C=CC=C4)C5=O)=O | 49C923BDF5828C0A_32F6E1ECDF000237_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCC3=CC=C(C=C3)[S](=O)(=O)Cl | 7C0AE6A2BE8A37D6_EED1D145C30E1FA9_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=CC=C(O3)C5=NC4=C(C=CC=C4)S5 | 146C03E7565504CF_89641A49ABA3F596_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3N(C)CCOC3)=O | 8278D0E78DB1C5F7_40F46D33A5C8B649_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=C(C)C=C3)[N](=O)=O)=O | 5A8BF0BB0D9F908A_D2665BB395E3445A_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)C(=O)OC4=O | C87FDB5AE5402244_63DC86C5DF5368B8_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=C(OCCC)C=C3)OCCC)=O | 56BEFC3A6D41756E_9A9BE84084201776_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC=C(N=C3)OCC4=CC=CC=C4 | A82B2E68B504590F_7E89B6161AFB962B_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(CCC)[N](N=C3)C4=CC(=CC=C4)C)=O | FB3E20D3E7D089E4_88DF171B687427B0_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCCC3=CC(=C(C=C3)Cl)Cl | 688E9774E50B8F73_50C6546F439224F9_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CNC3=CC=CC=C3)=O | 5D3D2A240AC2585B_17C8E1B7F3D2F8F3_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCNCC3)[N]4C=CC=N4)=O | 71E4E5D3139AEE10_8D060B605FD090EE_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4C[C@H]3C[S](=O)(=O)C[C@H]3C4 | 97C96C6204BED7F2_738D9824506E6F4C_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=NC3=CC(=C(OC)C=C3C=C4)OC)=O | 4AA2B9AE02ECED74_832D96FBEAC40165_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(C=C(CC(C)C)C=C3)[NH]4)=O | 6BA93817F52A853C_5196F70ECD08B460_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C34CC(C3)SC4 | F5EA9511827B5D28_AB352D2ED469DC4F_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCNC3)C(C)(C)C)=O | A23BAAFE53295550_DB36841D3FF40368_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(C(=N[NH]3)C)C=N4)=O | 99787D12FC1E7EF9_9D2A6479E8C36922_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CON=C3C)=O | 977EE831DFFA0C00_2CD333B5CBD479CC_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(COC)CCOC3)=O | C261E19402E2E86F_BAACEBB0E6290CFD_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=CC(=O)O3 | 14B9A1C7D796CC7A_AE9749483B9C8F95_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(OC3=NC=C(C)C=C3)C=C4)=O | 8E24770440D05591_13280675DAE842EA_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC=CC3=CC=C(C=C3)F | C09B8AFD5920633B_E38FF266CF2A1795_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC5=C(C=C3)C(=O)N(C4CC[S](=O)(=O)C4)C5=O | 9D77AEE5866E0C3D_732222997A6B30EE_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(N[S](C3=CC(=C(C)C=C3)C)(=O)=O)CCC(=O)N)=O | 5918F60C837EBC2D_9FE900DE256FEB27_6038_UN | 34 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCOCC3CC3 | 2F02A01FECED5761_DB13DECE47E23016_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)OC(=N3)C4=C[N](N=C4)C)=O | 3DB50721EDAF7218_04DBBF047575C911_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CS3)C#N | 729EFA842E919684_710F9F1A93933B03_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C(CSC)O3)=O | F41F4DC699531D5B_509356E473481F72_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(N=C3)[NH]N=N4 | 84D41562AB1AB4ED_0C5047D2364E1F9B_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=C(S3)C(C)(C)C4=CC=CC=C4)=O | 954B81CDF0E28438_A47ED3CA6C062DB1_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CON=C3C4CC4 | 9D8FDD1884A69A8A_5C045A821FB77DC1_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=N[N]3CCOC3=C4 | 2FE942F84C6FA6C7_F50827938822A730_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C[N]4C3=C(CN(C(C)C)CC3)C5=C4C=CC=C5)=O | 2694F2D664A99864_70C5135A764F9533_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(SC(C(OC)=O)C)C=CC=C3)=O | EA56621F9A87FB5C_3320217C5D537401_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(CCC)C(=C([NH]3)C)C(=O)OC)=O | B8DC6D995048AEDF_803467A1022E5E92_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3(CC3)C=C | B84D985CC5BA69C2_5795D00047BAEE98_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)C4=CN=NC(=N4)N)=O | F40A9B8D9D4AE6AC_39E647850842128E_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=CC(=C3F)CC)F)=O | 09D2FCFBF55CA839_34200C84542D707C_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=N[N]3CCCCC3=C4C)=O | FED8768C17B07BDF_96575FEE3830F537_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CNC[C@H]3C)=O | 03D4A06FF5EFFF34_F6318E1C68972E41_6038_DP | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=C(C=CC=C3)OC4CCOC4 | 88D17508145D91D5_A5FAC10E3649DA8A_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=C(C(C)=O)S3)=O | D22603FA89350C2D_CB67C7065E6B45BB_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(COC(CC)(C)C)=O | B97872A6B86BA748_704575DDA8B1C739_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3CCN(OCC)CC3)=O | 72EB05806E206E09_EF503768315856CB_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)[S](=O)(=O)CC4CC4 | 2B3549A2E9AF7230_576090EBF3E579A0_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=CC(=C3)C(=O)O)C)=O | E055A582E4352C60_82E84FC43078F122_6038_DP | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CSC(=C3Br)I | DD240FA3E18246E5_FC0DB7E794FC6EE9_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(N)[NH]N=C3)=O | 8C20640126A5109C_39C209EB3AB33B69_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)COC3=NC(=O)NC(=O)N3 | 6163CCD5270DCD61_4CD8D899695CCAA3_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=CC(=C3)[S](N(CC)CC)(=O)=O)C)=O | EB3C4D326D87F4EF_97B2B94843A2EB88_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CN(C(=O)C3)C4=C(C=CC=C4F)F | C025CAEEEA39FEF8_4FC5F111267EED01_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3SC=CC3=C(C=C4)F | E26B89057EDDA28C_9180E5744F39EEC3_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=C(S3)C4=CSC=C4)=O | 7B1D636AFB8A047D_091E3B90E94F4114_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)F | A0532E5CC4279470_6E7AF32B0416DB2F_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3C4=C(CCC3)C=CC=N4 | D1B70D6A9559C36F_9DEC7ABBCB7B9AED_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=C(C=C3)[N](=O)=O)F | D17B49DE7D367FCB_663EAD1382992D8F_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC4=N[N](C)C=C34)=O | 21FAA3021F62F493_D2A9A0F8DD5C4B1A_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)C(=C(S3)Br)Br)=O | 4CB353B6DD522DF9_F7FFC40246D8F444_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=N[N]3C4CCCNC4)=O | 52DCAFC79A488D36_AAA9D337629F40D4_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3CNCC3(C)C)=O | FC9B04AD71725693_E74AE2F7402A3799_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCOC3=CC=C(CCC(C)=O)C=C3)=O | CBA2334E51CB1FB7_33F40458023CE9B6_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(C[N]3N=C(C)C=C3C)C=C4)=O | 95463B1E2641271D_C0CFB52A11246A78_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)CC4=CC=CC=C4 | DCCEB6C1B1D0A4F6_1B05F057AF944159_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C([S](C)(=O)=O)C=CC=N3)=O | 37D020E700787DA0_7C97CDEF0CF00705_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=NC(=N3)N)N)=O | 51EC6B0F5C9BDFD2_1B0261A01181FD67_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=COC(=N3)C4=C(C=CC=C4F)F | AF7C00768E9251AE_4E47CD36FFBBBF5E_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CN=N[N]3C4CCNCC4)=O | 6B020F1FD4AE5584_62F3500975FEA4F3_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C(=CC=N3)C#N)F | D21CA20C74D0CF9C_48D5FE65D90BE49C_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3OC(=O)C4=C3C=CC=C4 | A3AB0D47CF792670_E6FA266DBBE212CE_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CC(OC)=O)C)=O | 3C647A0EBE2030BC_8A2643EB19E25FED_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4C(N(C3=CC=C(OC)C=C3)C(CC4)=O)C5=C(C=CC=C5)OC)=O | 3A9461FDE1DDC53D_B041F3334E5A09BB_6038_UN | 39 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=C(C(=C3)F)F)F | D2E13FCB0296884A_3BB4371608455A1F_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4CCC3=NNC(=O)N3C4 | A426E8132C9AA1F7_43718F98F13F51CD_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC4(C3)CCCC4 | AC688440BF2BCDAC_D9B6F99EBA7567CC_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=N[N](C(=C3)C)C4=CC(=CC=C4)C#N)=O | DEA5BF05B9D0E9C4_D4C54CDBAF407AF6_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CCCCCCC)=O)=O | 99A1AD9A90B5789D_8F166C59168005C4_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(C)C=CC(=C3[NH]4)C)=O | B37E9374BF3E1192_9233D25E6EB6B559_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSC3=NN=C([N]3CC)C4=CC(=CC=C4)C)=O | ACF0165B8695B44D_BF76CE2E7A266F25_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC=C(C3=CC=C(C(OC)=O)C=C3)C=C4)=O | 9386600C3CB56607_4D824BEFD0F0315D_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)[N](N=N3)C4=CC=CC=C4)=O | 986EAA084BAEB59E_E02A9FE13202F0DF_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCCCN3C(CCC)=O)=O | B2D62DA7A8B0BB0F_6868CCAAA05A754E_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCC3=NC(=NO3)C4=CC(=C(C)C=C4)F)=O | 2A5736808E79F7DD_48815811237BA7D5_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC(=CC4=C3C=NC=C4)OC)=O | 968B2D7FA5AAFF4B_EC7CCF2E56A5ADF0_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC3=C(C=CC(=C3)[N](=O)=O)F | 773F582974B742DC_A948860798B30990_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NN(C=CC3=O)C4=C(C=CC=C4)F | 0DB210CDF209C8AF_50912BADCE368246_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NC(=CC=C3)C#C | E697A4CA85A3BE6A_8DB4665DB28010A2_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCCN3C)=O | 4A30E15158D2F69B_1A88C48F286737DB_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NOC(=C3)C4=C(C=C(OC)C=C4)F)=O | 32836D6EB205F5F0_6A6F311CCF85EF09_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)C[S](N)(=O)=O)=O | 75218EDE041BA30E_CFA685EF46E41683_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(OC)C(=C(S3)Cl)Cl)=O | 1063360B365C22CF_027918E3E8754BF7_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](CCN(C)C)N=C3)=O | 80FE553D2176E3E4_07E9150B480A7D08_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=NOC4=C3C=CC=N4 | 108C8CD01F73C9F7_692523534AA84162_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=NOC4=C3C=C(OC)C=C4)=O | 76B7B56DA98F36F5_799EADF1DF4091CA_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CCN(C)[S]3(=O)=O)=O | A9D317A192C10C08_F84FE62773487A4E_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CCCC(=O)N3C[C@@H]5C[C@@H](C3)C4=CC=CC(=O)N4C5 | 713C82901F26BCB3_54D3802869FA422F_6038_UN | 35 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3C4=C(CN3)C=CC=C4)=O | 109730309EB62F12_FB871F7C9FE784A3_6038_DP | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=C(N=C(C)S3)C4=CC=CS4)=O | 4407A3552EA16883_01769443EDD7D486_6038_UN | 28 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.