smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C3N=C(C)C=C([N]3C=N4)C)=O | 00877C93F3392FC1_A140C06DF96F970F_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C3CCNC3(C)C)F)=O | 31165AF72D64D347_C86352D33DD87814_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=NC3=C(CC(C)CC3)S4)=O | 3B7C2C8A14A2994E_E79E5C9806753A1B_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC34CCC5=C4C=CC(=C5)C6=CN=CC=C6 | 9FF48A6C997976F1_17B9E70B879032E6_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(CC3=CC=C(C=C3)F)C4=CC=CC=C4 | 64F26F62A8E1CE02_C57B51A2746A2BFC_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC4(CCN3)CCC4)=O | AB84CA06BC68957E_1041BC64DBB6C9C9_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=CC3=C(C(=CO3)C(OC)=O)[NH]4)=O | EA7F2A92BB115938_A7AA8EADF1893F43_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)CC4=CC3=CN=C[N]3C=C4 | DDFFDCF393420078_E3C3B33ADC5770EF_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN3N=C(N(C)C3=O)C4CC4)=O | 53E181B817F5AF27_828EA00CEDACEDCE_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C34CC(C)(C3)CO4)=O | 75B7C544CE2F9293_DD94B6381087E9C1_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C(OC)=O)C)=O | 569FAB74CD39768E_8C351BE3B1196526_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(OC)CNC3)=O | 9EBB484E2EC275DC_3BD591BBCFD13A7D_6038_DP | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)C4SC(=O)NC4=O | A1C4515D2571009D_A542B0512165A316_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=CC(=C3C)C(OC)=O)F)=O | AFC92B1B8DE99849_4768E4B4372290E0_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C[N](C(C)C)N=C3C4CCOCC4)=O | A802C181FAF11B23_47C76297129E6B41_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C[N](N=C3C4CCOCC4)C5=CN=CC=C5 | 9A250A35416C42F3_FF3CC1E3B9D81132_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCOC)CCN(CC3)C(=O)C)=O | 7B3FE3994CA15EF7_ECBCC17915903613_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN3N=C(N(CC)C3=O)C)=O | CED7D71131374BA2_A0640AD29361F063_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C5=CC3=C([N](C)C(=N3)CC4=CC=CC=C4)C=C5)=O | DBF79D60F4B062FA_BD0D7B5937E75318_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCC3=C | 103BE1DEECF4B36D_4B4BD772BC3E3E4A_6038_UN | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(CC3=CC=CC=C3)C4CCCCC4 | 738B2DDAF6A07CE3_2C0D595458907A23_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C(CC3CCCCC3)C4=CC=C(C=C4)F | B45C10293DAFDDB2_791A91BB02E323F0_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)C=C(N=C3)C#N)=O | AB2B5BA035A2F30D_631318A52795BA4B_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C[N]3[C@H](C)C4=CC=CC=C4)=O | 49A22E8FE764FAD1_A44420248C5F26FD_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCOC)CCN(CC3)C)=O | 594EDBA2FB387984_AC5820294EF5E51F_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCN3)C)=O | 389B0624CA347BB5_A8BAF9145D07776C_6038_DP | 21 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(SC(=C3C#N)C)C)=O | 0824C7F2AD2E07CF_4462EE61F7A3A593_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NNC(C(=C3)C)=O)=O | 87C564D0ABBD9336_0509411942C17826_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C#C[C@@]3(CCCN3)C)=O | 4DAC741AE5DD96EE_4D7576CD9BD65BC2_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C34CC(OC)CN3CCC4)=O | 0BD8D8D080DE3AB5_6413143E7A9423FB_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CN(C)C)CCCC3)=O | 0BF0A472D723FE71_FB73DFA53C5F3A01_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CC#C)CCCC3 | 4F1230F4DE64D07E_120BBEF42AD0DAE6_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)C4=C([NH]3)C=C(C=C4)F)=O | C0CFEBC4B92570EE_E6BE0AF26A1D4578_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@]34COC[C@H]3CN([S](C)(=O)=O)C4)=O | 60BD2725372580F7_EF1FCA7192C4F9B6_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@]34COC[C@H]3CN(C(OC)=O)C4)=O | FD22C9D36A06092A_DB2A5FCB99388067_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCOCC34CCCCC4 | 91561992EE39C70D_92AAB8E136EEF5FC_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[C@H]3CCC=CC3 | 6BD6E2DF6F6C326B_8C7C0EF4EF1F8550_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CCCC4=NN=C[N]34 | CDE1F19EC91F9E14_6A292F74EF165F97_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C=CC3=NN=C[NH]3 | BC4D1BDA5EB59FEB_BBEDC713E627FF28_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(COC)CCCNCC3)=O | 9A698361EC69C96F_1227F6526EDB19C7_6038_DP | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C)OC3=C(C=C(C=C3)C)C)=O | 724C811C8C6AB5F1_8E183F83C4EF8F5B_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C(CN(C(C)C)CC3)C4=C[N](N=C4)C)=O | DB8CCC6106BEA77A_3478E89C21E491C3_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C(CN(C)CC3)C4=C[N](N=C4)C)=O | F2603B9B417E00BD_739AE4115C1B251C_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C[S](CC34CCNCC4)(=O)=O)=O | F0D1E287631370FD_7A8F2F8B211BC6EA_6038_DP | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)C#C | E8C88F34DE482200_7F3B2CAA250BBC38_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(N=C(C3CN(C)CCC3)O4)C)=O | 9B7B19E2D82A3F69_4BEE69D3F0B3410F_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C(=C(C(=C3)F)F)Cl)F | DB2128C014EFC64D_F80DFCCB3EDE388A_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3C(C4CC3C=C4)C5=CC=CC=C5 | 08BEDC5E766E6CB5_0568263179599E2D_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(C(C)C3CCCCC3)C)=O | 2AB811571ADF6D78_20039A6443655FA5_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3CC4(CN3)CCCC4)=O | 28517A91F9F9D79C_91F4A7309A70CA9A_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3CC(C)(C)OC(C3)(C)C)=O | CD4FD2673D81F812_CCB342D48F37B105_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC=C(C=C3)C4=CC(=O)ON4 | CEF3797B44189074_C9B3345A5C9E824E_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CC(C)=O)CCCC3)=O | BAFAD27E707EBD61_52BD58D08233EAEE_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(C3=C(C=C(OC)C=C3)[NH]4)C)=O | 805D1D7041BFEFBF_4990DE5514B5DE44_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCOCC3)C4CCN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7 | F7B4EF2E81846D33_75AB2919E26F1986_6038_UN | 45 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@H]3CCC[C@@H](C)N3)=O | BFC32D1F3CEDEDDC_76EC55A9183A6CC7_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C3CCCCC3=C[NH]4 | E7C1565DF450CE90_1FF80B699B97ECF1_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C4=C[N]3N=CC=C3C=C4 | 6F5487BA472E5E0E_27F8E68ABF242173_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CCN(C3=C(C)C=CC=C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)=O | D796E874C741764A_0BB56229C4628C94_6038_UN | 43 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(OC)C=CC(=C3[N](=O)=O)OC)=O | C97C5B79DD4D0587_656E1C6D3D142126_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CSCC)=O | 997021AFC1A42820_0ABE979AAAE5C98E_6038_UN | 20 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CN=C3)C4=CC=C(C=C4)F | FF9EFC7C4D36AAFC_BB890A349182868D_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3CC(=O)CO3 | 11F224D9976DF064_C5254207EBD4923E_6038_UN | 22 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3(CCNC3)CC#C)=O | 5075A1050FB81EA1_8B3E0D35371EA422_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C(CN(C)CC3)C4=CC=N[N]4C)=O | FE1F3EB7B5E55F7A_C77A79233771EFEB_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C=CC3=CN=CC(=C3)OC)=O | 399DC1237693A5BA_BBADCD6168F91B7B_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(SC3=CC=C(C(C)C)C=C3)C=CC(=C4)F)=O | 839754E226F802F2_3874DF166FB3D802_6038_UN | 33 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=CC(=C3)F)SC4=CC(=C(C=C4)Cl)Cl | A7ED60EF83CEEE96_4391526545A00215_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=C(C=C(C=C3)C4=NN=N[NH]4)F | DCC3F5436AF65249_C2273D26FDA866C2_6038_UN | 28 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC4=NC(=C[N]34)CC)=O | 60871D1A24B0D5BE_84E226C5779DE168_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)C4(CNC4)F)=O | 05B4AE2832F280C3_EE818B860E4EDB14_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3C4CC3(CC4)C5=CSC=N5 | 4232712C227536CE_10AE4EF6BB2E71AD_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C([S](C)(=O)=O)C=C(S3)[S](=O)(=O)Cl)=O | CDD591141767A60E_F19479A82B09A20C_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)N=C([NH]4)C5=CC=C(C=C5)F | 7B68F7317CC34F0B_17A7D882E079E5C1_6038_UN | 32 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)[C@H]3[C@@H](C3)C4=N[NH]C=N4 | B593BFE9F9910DCC_9B00684DC242A0BF_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC4=C(C=C3)SCCC4=O | D739541DB40E95FD_E67FD4C2A3B6455E_6038_UN | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=CC(=C3)[S](N)(=O)=O)OCC=C)=O | EF34769832F6D66D_20ABF51D5D36B41E_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NC(=CO3)C(C)(C)C)=O | FDEDB1A60A1A84E7_D8A38F039F05FC8E_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C=C(C)C=C3)N=[N]#N)=O | 6B4D663D9BEB7081_E64CCE0078F16E5A_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4CC3(CCCN3)C4)=O | 08AB7C31EE56BB37_86822F14AA6A48D1_6038_DP | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3CC4(CN3)CCOCC4)=O | A4DC0AEF0AB24D77_863D01350DBE6366_6038_DP | 27 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@H](C)C3=CC=C(C=C3)F)=O | 35C142F83394922C_495954E4902F9F1C_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C34CCN(CCC3)[S]4(=O)=O | 1AFC60A6F1E14469_0C92F08D5BCE833E_6038_UN | 26 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3=NC=CC(=N3)OC)=O | E966C970E3B1F00C_9D591550569D4103_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=N[NH]C4=C3C[C@@H]5C[C@H]45 | 0DC144D1378DB412_3126E270629FB819_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C[S](F)(F)(F)(F)F | 0198B6495FCB05C3_151B68889931C0CA_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC([C@@H]3CC(CN3)(C)C)=O | 7906B014DA33BA7B_2743EC09535DFEFF_6038_DP | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=CC(=C3)[S](N(C)CC=C)(=O)=O)=O | 37ADBE8B174DB9A3_A5BCB8EA1849BAD0_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CC3CNCC(O3)(C)C)=O | 4294A6A9ECD1B489_09E97D2DEBDDDE63_6038_DP | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=CC=C[N]3[C@@H](C)C4=CC=CC=C4)=O | 0DBF6B94154CC312_B44FA35D6947943B_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C4=C(CC)N=C3C=C(C=CC3=C4)F)=O | 760602615E40C08A_6656C436ECCF54B1_6038_UN | 29 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C(CC(C)C)CC=C)=O | 6531168824D3C637_F427EE02393CA0F0_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3=CSC(=C3Cl)Br | D712C20327C364CC_C25D27776C3875B5_6038_UN | 23 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3C(N(CCC)C(C3)=O)C4=CC=CC=C4)=O | EF4E426867262681_800887F310F5992F_6038_UN | 31 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=NC(=NO3)COC)=O | 703095145AD71189_1DD12995ABF5B1BA_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C34CC(CO3)CCC4 | 6DDAF4D7FBD56DC6_3C4FF51BE2A803F1_6038_UN | 24 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(CN3C(CC(C)(C)O3)=O)=O | 6BC3DAFED5E6F170_CAA3985D83F5587D_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C)N=C(N=C3C)C4CCOCC4)=O | 1AFABD15DA87F5A7_1FF65860E1B3EAAC_6038_UN | 30 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(C3=C(C(=CS3)OC)OC)=O | 5FFDD7693A8804F2_8F2BA785250EA3B3_6038_UN | 25 |
CC1=CC(=CC=C1)[C@@H]2CCCC[C@H]2OC(=O)C3(CCCC3)CN4CCCC4 | 7E69782A4084F149_64940B19B727BC34_6038_UN | 27 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.