smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(C)CN(C4)C5CCC5 | 7E3FB06EC47C8EA4_E333BCBFBC9EFD9C_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=CC4=C(C=N[N]4C=C5)C#N | A209B988877BF861_604BD840C6AA1A9A_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H]4[C@@H](N)C5=C(C4)C=CC=C5 | 055672A633BB7C5A_A15C5A13BB599FCB_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H]4NCC5(C4)CC5 | DCEB22E71A64FBB0_FA38ED9A59539E19_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(OCC(C)C)C=CC(=C4)Cl | 40B6324EF6D35F8B_FA2B877F36D7F433_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=CO4 | F8A2B3380BBFC9EB_9DCAF06F9C6EC33D_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN4C(=O)NC(=O)C5=C4NC(NC5=O)=O | B1A82B6DA1CCAF15_E1EC6F2F9B6CE06B_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N4CCN(C)CC4)CCN | 847C15A33E22BBB6_523452EBB4B010CD_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4NCCC5=C4C=C(C=C5)Br | EB967D37E4E19C72_0B72B851AF4C48F4_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN[C@@H]4C[C@H]4C | DD25B09EE0E38E22_F1D7D5D4F30C569A_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CN)CC=CC4 | 2F91EED0BC094E65_E38F63BEB7A5267C_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=CC4=C(C=CC=N4)S5 | 3AD01067BACEFDDC_5D66221470AA351B_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN6CC4=C(C=CC=C4)C5(CC5)C6 | CF51DA2379DA9A6F_C24B43EA795C82A0_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C]4(CN)C[C]5(C4)C[C](C5)(F)F | 942A3688636AF0D9_7CFA5E6329292AD2_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN(C)C(=O)CBr | ED4F91F92C7A87AF_4E2F6D5954A77376_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(OCC)CNC4 | 255A43F65D163CC0_0B62F1620C85A9B6_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CCOCC4)C(F)(F)F | 8D9161AD2B9BDF67_7E942909DC719BDB_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4C[C@H]4C5CCNC5 | 5D79A9415F69642D_3A413C8F15CEF24D_6031_DP | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC=C4)NC5=CC=CC=C5 | 36AA1503D64F4E6B_DBBA653FA218DCF3_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4CC[C@@H](N4)C(F)(F)F | 23EA787CA69347CF_D05EA3F3305B506E_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H](CC)NC | B70FD4349DEF02BE_63E3ED31DC4E5A49_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4COCCC4(F)F | 0FB8684DF249C942_8B7B75EFDB0553C5_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=C4CNCC[N]4N=C5 | C4A3EC2794D40187_CC3F5FD4F68E8110_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(OC=N4)C5CNC5 | 1415837BCCF27515_35C932E89405CD78_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(=C4CCCNC4)F | 6B48DE8833601B6B_137D651A3E3990AC_6031_DP | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(N)CCCOC4 | 92123449F562CFC2_F669FBB020C7AA77_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C)C=C(C=C4)CN | 29A0C5D4C38B64C8_DE9689975489B5AD_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC5=C(C=C4)OCCN5 | 4EEE8B271B8D5A10_4DFBEDCF741BA85B_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCCCNC(=O)N4CCOCC4 | 06265B86A5C12BE1_C3F829FCEDAA2DE5_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(N=C(N=C4Cl)C5CC5)Cl | 68B017FD07A2B913_83D905405F44DE16_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4C5CCC(F)(F)C45 | 3B0931C1DF2D523E_6D7DE68EDBFACF61_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC45CCC(C)(C4)CO5 | 2C3C140586C69113_F4BEC4C9823658CC_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4NCC5(C4)CCSCC5 | 632EDD86689BDCD9_578AD0DF5D6E1B7F_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CCCCCC)CC | 418DF5849319B733_812B2AA12ACDA577_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CNCCC45CN(C)C5 | 9A5D2D9F6235E353_E2B8FCF2C54B9041_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C(C)(C)C(F)(F)F)C=C4 | E69133AFCAF33D87_A3A3588EECF197A8_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(C(OC)=O)NCCC4 | 45C5DEFC8928534C_D2F7CB0178BF08A2_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCNC4CCCCC4 | 9B05FD871F02D358_4B66104AC4ED4056_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H]4[C@@H](CN4)C5=CC=CC=C5 | 1C73297B9C1AB274_FB58E44F923BF6D8_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CC(=O)C4 | 08942B0B9902B3B2_13C75CAD9EAA2B56_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H](C)CN | 261FDDAD41C5FDF4_140DD3C6096FDF43_6031_UN | 24 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(OC)N=CC(=C4)N | E4DBE933D5EDEC71_D4AA168D629D4A65_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC4=NC=C[NH]4 | 6DFCC165B64C43F3_5530F545A8E3D9F4_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5CCC4(CCCCCCC4)O5 | 5F886B020FA28F5D_CAF0480E76F16273_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C)N=C(S4)N5CCCC5 | E696ACD8B5F6666E_12F55F84D666DC0B_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4C[C@](CN)(C4)F | 1DF5BED394E78001_82F6CF5C00F9A0F6_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=C(OCC)C=CC(=C4)C | 5B40B30588A2B353_9F468BFE6A5024D5_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(C(OC)=O)CCCN4 | 45C5DEFC8928534C_4DD59BB7BFF5BD00_6031_DP | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[N](C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7 | 1605479A5D9FBC14_F415C970B226F887_6031_UN | 44 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=CC(=C4)CN | 550A7CF2F3FF1221_3A4B85721FF3E196_6031_DP | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H]4C[C@H]4C(OC)=O | 0A6EE5366BE4517B_902421393B32A6A5_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC(=C(C=N4)N)C | 3413C49E31B82C6C_8A63EF595CC3A2A7_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(F)CF | 720FD40A84430E31_17824BC1C74F3FE3_6031_UN | 24 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5CCN(CC4CC4)CC5 | C385F63E17567D5B_2443F656CBD7FE1D_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NN=CC=C4 | 1D3212006FA3DC3D_FA5AE122735F0F7D_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@@H](C(SC)(C)C)N | 51BD6EACCC328ED4_AD76099536D57335_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)COCC4=CC=CC=C4 | CC42AB178C2724B6_7E76F80E9E8D501F_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC#CC4=CC=CS4 | 437445006A87136F_22F4A573CA4EA77E_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)(C)C#C | BC6DC276C5CBAB0B_6DDC469ADA8144A4_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(N)CCCC5CC45 | 86AD0C0C7CC49943_1CC7BBD251BA64BB_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOCCOCCOCC4=CC=CC=C4 | AD0AC2E1636BB568_FD8379DDF367AB8D_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NOC(=C4)C5=CC=CC(=C5)OC | 4B3D0CCCA3BB8FA5_076581C9705B59F9_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CC5(NCC4)CC5 | DE40AF67E4824E4A_942275D004F9AF05_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CC5(C4)OCCO5 | FE5802E43CD623E1_E7758F8D3E1D8F9B_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC4=CC=C(C=C4)F | E4EF41376807330E_069E79AC9D528B26_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(C(OC)=O)CC=CCO4 | 73DE3F6526AE1E9C_CFD068C13FF5E34A_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C(C)(C)F)N | 55AA6123CAB729E3_4E37BD82CB4B0BA6_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNC(=O)N4CCCCCC4 | 6BFDCF10C9742AB5_3C9F039BDCC15276_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(C)CO4 | 3AF6EC914C60D38E_51AB9158B4933195_6031_UN | 24 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(C=C4)C(F)(F)F | 48213D0B4A57D657_4B84FD3646AAC1E2_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CNCCNC4 | 9E3A6F98F85D2496_1834FE189F7B6E7B_6031_DP | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(COCC(C)(C)N4)C | B0FB9214794D1555_6A582840C855C9B5_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC45CCC(CC4)NC5 | 05A0C8242D3DDA93_559A3A5889E90C88_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5CCC4=NN=C[N]4C5 | 6650C05BB04957AF_187B2AA2024B9230_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(C)CNC5=C4C=CC=C5 | 5A8B3D149DDFB921_7C7E59C1DFF8C9B0_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=CC=C4)C5=NC=C(C=C5)Cl | 48B34666F5ADDF1F_62791B026C509910_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5CCC4=C(C=CC=C4)CC5 | 5719396012CD97B3_89A00C896903C652_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(C)CCCCC4(F)F | 62695C2C74F0AC71_2FF141C1CA8959B1_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(Br)CCC4 | CB327E6873A94182_FB0603A663001C56_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC(C)(C)F | E035443B71D43445_E3D71383BAA08C35_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC(=NO4)C5CCC5 | 7FE9C330BF455CBF_27278E7CBC4F7A8C_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC(C)C=C | 542D5870AFC90702_F8887D7E5BC1BEEE_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCNC(=O)N4CCCC4 | AD3B998F7A5B4806_775144CFB8BE55D7_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCCCF | 119F7524249F5F59_6F3A8E2DB67B5F04_6031_UN | 25 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CCNCC4 | 7637D08F7256B590_2C83B8D4B21C2A35_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(SC(=N4)C5CC5)Br | 17EFA3A5052B2538_A71A91D4BD1A8374_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5(C4=CC=C(N)C=C4)CC5 | 11BF37ADF15D11CB_9E4CEA6CA0E0C097_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CNC5(C4)CCOCC5 | 819252022D6565E3_B45C372DC76AAE75_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCCNC(=O)N4CCOCC4 | E00E045D880DB7C1_CDE870076D0DD9E9_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(N)CC=CC4 | 694899FD37788239_9601D7BE04963B3B_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC=C4)OC(F)F | 288274EE14A57585_B8C6267E9EB35245_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H](CN)F | 82BAF90738546E48_F880C8C97B272A74_6031_UN | 24 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=COC(=N4)C5=C(C=CC=C5)C(F)(F)F | 4F6615FF8E92BE67_6EAC2002475DE5B8_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=COC(=N4)C5=CC=C(C=C5)C(F)(F)F | 9476D6351406D1D9_EED621869FC0152B_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CC(OC)(C4)OC)CN | D14888B713D350AA_6C4D4357A5991103_6031_DP | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CCC4)C5CO5 | 2B342776C95F1129_5DD149B2620D703B_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CCl)CN(C4)C5CC5 | 814CC4CA83874901_09CA6ED7E863ECDB_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC45CC(C)(C4)OCC5 | 0231360CE419EA1F_3DEBD9D2C89960A6_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC(=C(C(OC)=O)C=N4)C | 584630DE3878AEF8_4F301B5FAC9DD5AF_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)(C)SCCC#C | 321930CCB0FF1F3B_14900A1842700802_6031_UN | 28 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.