constraints dict | max_depth int64 | max_routes int64 | min_routes int64 | parent_id string | schema_version string | split string | stock_id string | target_smiles string | task_id string | variant string |
|---|---|---|---|---|---|---|---|---|---|---|
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_3ca0d39ddbebac04 | retro-task-v2 | train | paroutes-archive-leaves | CCCCNc1c(NC(=O)CCOC)c(Cl)nc2ccccc12 | retro_3ca0d39ddbebac04 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_091617ced7892cef | retro-task-v2 | train | paroutes-archive-leaves | CSc1nc(NCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(-c2ccnc(Cl)c2)n1 | retro_091617ced7892cef | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_163f00aac537d01f | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)[Si](C)(C)OCCC1OCCN(c2ccc(N)cc2)C1=O | retro_163f00aac537d01f | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_8a55911b5e827062 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)CC1NC(C(=O)NCC[C@H](O)CO)C(c2cccc(Cl)c2)C1(C#N)c1cc(Br)cs1 | retro_8a55911b5e827062 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0db0a74ae8e4098e | retro-task-v2 | train | paroutes-archive-leaves | CC(OC(=O)Nc1conc1-c1ccc(CCCl)cc1)c1ccccc1Cl | retro_0db0a74ae8e4098e | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_800a50cbf013fff7 | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)N1CCN(c2c(F)cc([N+](=O)[O-])c(F)c2CF)CC1 | retro_800a50cbf013fff7 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_dddf3d748bf58478 | retro-task-v2 | train | paroutes-archive-leaves | COC(=O)C[C@]1(CC(=O)O)CC[C@@H](C)C1 | retro_dddf3d748bf58478 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_ba3c1930b2d54a77 | retro-task-v2 | train | paroutes-archive-leaves | CCCCc1cncc2nc(-c3ccncc3)nc(N3CCNCC3)c12 | retro_ba3c1930b2d54a77 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_3413e4ed77c4ca38 | retro-task-v2 | train | paroutes-archive-leaves | CC(=O)Oc1cc(OC(C)C)c2c(=O)[nH]cnc2c1 | retro_3413e4ed77c4ca38 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_4135145c0a6eb8f2 | retro-task-v2 | train | paroutes-archive-leaves | COc1cc(S(=O)(=O)N(C)C)ccc1N | retro_4135145c0a6eb8f2 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_bc4e019a874d4c97 | retro-task-v2 | train | paroutes-archive-leaves | CN(C)Cc1cc2c(o1)CCN(C(=O)CCCCCc1ccc(F)cc1)C2 | retro_bc4e019a874d4c97 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_d2add1a6cd310156 | retro-task-v2 | train | paroutes-archive-leaves | C=C1CCCCC1COCc1ccccc1 | retro_d2add1a6cd310156 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_8ebaaf3384a4e49e | retro-task-v2 | train | paroutes-archive-leaves | O=S(=O)(Nc1ccc(CCCN2CCN(c3nsc4ccccc34)CC2)cc1)c1ccccc1F | retro_8ebaaf3384a4e49e | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_95365809bae1dc76 | retro-task-v2 | train | paroutes-archive-leaves | Cc1ccc2[nH]c(-c3cccc(Br)c3)c(CCCN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2c1 | retro_95365809bae1dc76 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_1ed5ca1b640682a6 | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)c1cc2cc(CBr)ccc2o1 | retro_1ed5ca1b640682a6 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_443309e46dfcd779 | retro-task-v2 | train | paroutes-archive-leaves | COC(=O)c1cc(NC(C)=O)ccc1-c1ccccc1-c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1F | retro_443309e46dfcd779 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_36aa20a062fde0cc | retro-task-v2 | train | paroutes-archive-leaves | COC(=O)c1cc(COS(C)(=O)=O)cc(OCc2ccccc2)c1 | retro_36aa20a062fde0cc | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_b7dfe979ab205ada | retro-task-v2 | train | paroutes-archive-leaves | O=C(Cc1cc(Nc2ncnc3cc(OCCCN4CCC[C@H]4CO)ccc23)n[nH]1)Nc1cccc(F)c1 | retro_b7dfe979ab205ada | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_35567b0756bca994 | retro-task-v2 | train | paroutes-archive-leaves | COc1cc(Nc2c(C#N)cnc3cc4ccccc4cc23)c(C)cc1Cl | retro_35567b0756bca994 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_3692252544394fed | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(CCCCNC(=O)CCCCC(C)(C)COC1CCCCO1)COC1CCCCO1 | retro_3692252544394fed | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_c6f2045fcdc36bfd | retro-task-v2 | train | paroutes-archive-leaves | Cc1ccc(OC(=O)N2CCC(CC#Cc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)CC2)cc1 | retro_c6f2045fcdc36bfd | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_e51c702bc2cfa9a1 | retro-task-v2 | train | paroutes-archive-leaves | COc1ccc2c(c1)c(CC(C)CC(N)=S)c(C)n2Cc1ccc(Br)cc1 | retro_e51c702bc2cfa9a1 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_dca15feff2c1be25 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)NS(C)(=O)=O)s1 | retro_dca15feff2c1be25 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_4da6ff3cfdb98e26 | retro-task-v2 | train | paroutes-archive-leaves | CCCCNc1cc(CNC)ccc1[N+](=O)[O-] | retro_4da6ff3cfdb98e26 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_73d00f2b37f046e0 | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)c1cc(-c2ccc(O)c(C#N)c2)no1 | retro_73d00f2b37f046e0 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_e0c75b523be05b1b | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)[Si](C)(C)OCCOc1cc(N=C=O)c(Br)cc1Cl | retro_e0c75b523be05b1b | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_f468b8e0d9efd8cf | retro-task-v2 | train | paroutes-archive-leaves | C=CCOc1cc(Cl)c(-c2nnc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)s2)cc1F | retro_f468b8e0d9efd8cf | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_17a05d229bd080b4 | retro-task-v2 | train | paroutes-archive-leaves | Cc1cccn(-c2ccc(-n3cnc(CNC(=O)c4ccc(Cl)s4)c3)cc2)c1=O | retro_17a05d229bd080b4 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_dc45e9638ca7d07b | retro-task-v2 | train | paroutes-archive-leaves | CC(=O)CC(C)CCC=C(C)C | retro_dc45e9638ca7d07b | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_b10caf9df1b41081 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)OC(=O)N1CCN(CCCC(=O)c2c[nH]c3ccc(F)cc23)CC1 | retro_b10caf9df1b41081 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_447f60b04fc6d47f | retro-task-v2 | train | paroutes-archive-leaves | CCC(C)COc1ccc(Br)cc1-c1ccccc1-c1cccc(C(=O)OC)n1 | retro_447f60b04fc6d47f | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_db84b0d3bf86a112 | retro-task-v2 | train | paroutes-archive-leaves | O=C1CCC(N2C(=O)c3cccc(OCc4cccc(Br)c4)c3C2=O)C(=O)N1 | retro_db84b0d3bf86a112 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_64421f6bd20b375c | retro-task-v2 | train | paroutes-archive-leaves | CON=C(C)CCCn1c(C)nc2c(N)nc3ccccc3c21 | retro_64421f6bd20b375c | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_744d77a4518db7a4 | retro-task-v2 | train | paroutes-archive-leaves | COc1c(Cc2cc3ccccc3s2)cc(Br)c2ccccc12 | retro_744d77a4518db7a4 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_253f19b48892852e | retro-task-v2 | train | paroutes-archive-leaves | CCc1ccc(C#Cc2ccc(C=O)cc2)cc1 | retro_253f19b48892852e | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_a13a15225fc86fbb | retro-task-v2 | train | paroutes-archive-leaves | COC(=O)CCc1cccc(OCCCCCOC(C)=O)c1 | retro_a13a15225fc86fbb | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_4b1a736f6162713d | retro-task-v2 | train | paroutes-archive-leaves | CCCCCCCC(=O)c1ccc2c(c1)CC(C(=O)OCC)C2 | retro_4b1a736f6162713d | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_e7d763469bb344a6 | retro-task-v2 | train | paroutes-archive-leaves | CCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | retro_e7d763469bb344a6 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_2af67bc47188b854 | retro-task-v2 | train | paroutes-archive-leaves | O=C(NC1CCCCC1)c1c[nH]c2ncc(Oc3ccccc3)nc12 | retro_2af67bc47188b854 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_c80c9ce7ebd99295 | retro-task-v2 | train | paroutes-archive-leaves | O=C(O)CCN(C1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | retro_c80c9ce7ebd99295 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_bd9f0844768b9fc1 | retro-task-v2 | train | paroutes-archive-leaves | O=C(NC1CC1)c1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)n2)nc1 | retro_bd9f0844768b9fc1 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_960d2b856360cd52 | retro-task-v2 | train | paroutes-archive-leaves | O=C(c1cccc2ccccc12)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(C2CC2)C1 | retro_960d2b856360cd52 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_f2a99928f13f663e | retro-task-v2 | train | paroutes-archive-leaves | CC(C)=CCC(C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 | retro_f2a99928f13f663e | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_8e169b63621f93f4 | retro-task-v2 | train | paroutes-archive-leaves | Nc1ccc(Cl)c(S(=O)(=O)NCCN2CCOCC2)c1O | retro_8e169b63621f93f4 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_ac8c5e1b432e998b | retro-task-v2 | train | paroutes-archive-leaves | O=C(O)CCCCCSc1ccc(-c2ccc(Cl)cc2)cc1 | retro_ac8c5e1b432e998b | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_86f8ee4c777c9e54 | retro-task-v2 | train | paroutes-archive-leaves | CCNCC(=O)Nc1c(F)cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)(C)C)c3)[C@H]2O)cc1CC | retro_86f8ee4c777c9e54 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_fdbdc4df53f53fd1 | retro-task-v2 | train | paroutes-archive-leaves | COC(=O)c1cc(F)cc(C)c1N | retro_fdbdc4df53f53fd1 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_32bdadc6404920a5 | retro-task-v2 | train | paroutes-archive-leaves | C[C@@H](O)C(=O)N1CC2CC(c3ccc4c(n3)N(C)S(=O)(=O)N4CC3CC3(F)F)CC2C1 | retro_32bdadc6404920a5 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_4736b9c394e03ce9 | retro-task-v2 | train | paroutes-archive-leaves | Cn1cc(-c2ccc(N3CCC(N4CCc5cc(Cl)ccc54)CC3)nn2)cn1 | retro_4736b9c394e03ce9 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_305fc1afe1047838 | retro-task-v2 | train | paroutes-archive-leaves | CCOc1cc(C(=O)N(CC)CC)ccc1Br | retro_305fc1afe1047838 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_b43846145a5c3e86 | retro-task-v2 | train | paroutes-archive-leaves | NC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 | retro_b43846145a5c3e86 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_6281a6b767f673b3 | retro-task-v2 | train | paroutes-archive-leaves | Cc1ccc(S(=O)(=O)OCCOCC(OC2CCCCO2)c2cccc3ccccc23)cc1 | retro_6281a6b767f673b3 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_aeaa5dce0cea792a | retro-task-v2 | train | paroutes-archive-leaves | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOS(=O)(=O)c1ccc(C)cc1 | retro_aeaa5dce0cea792a | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_bbb12d40dcdcf30a | retro-task-v2 | train | paroutes-archive-leaves | Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)cc1 | retro_bbb12d40dcdcf30a | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_5bbf2e9af57e8d4e | retro-task-v2 | train | paroutes-archive-leaves | N[C@H]1CC[C@@H](Oc2ccc3nnc(N4CCCOCC4)n3c2)c2ccccc21 | retro_5bbf2e9af57e8d4e | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_a867d4bbb367e3ce | retro-task-v2 | train | paroutes-archive-leaves | COc1ccc2ncc(N)c(Br)c2c1 | retro_a867d4bbb367e3ce | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_3fea131aa2d2ae4f | retro-task-v2 | train | paroutes-archive-leaves | CC(C)OC(=O)Nc1c(N)nc(-n2nc(Cc3ccccc3F)c3ncc(F)cc32)nc1N | retro_3fea131aa2d2ae4f | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_b6935c3ba6295b2c | retro-task-v2 | train | paroutes-archive-leaves | O=C(Nc1cccnc1)c1cc(CN2CCCC2)ccc1OCc1ccccc1 | retro_b6935c3ba6295b2c | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_b63096050da7c2f4 | retro-task-v2 | train | paroutes-archive-leaves | Cc1cc(C)cc(-c2nc(NC(=O)C3CCCC3)sc2-c2ccncc2)c1 | retro_b63096050da7c2f4 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_af6750c0c109534c | retro-task-v2 | train | paroutes-archive-leaves | Cc1nnc(-c2ccc(Oc3cc(O[C@@H]4CCN(C)C4=O)cc(C(=O)Nc4nccs4)c3)cc2)o1 | retro_af6750c0c109534c | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_3b97193d4fff8260 | retro-task-v2 | train | paroutes-archive-leaves | Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H](C(=O)O)N(C(=O)c3ccccc3)C2)cc1 | retro_3b97193d4fff8260 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_5fa73f944462740a | retro-task-v2 | train | paroutes-archive-leaves | O=C(OCc1ccccc1)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1 | retro_5fa73f944462740a | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_3c435225993324d9 | retro-task-v2 | train | paroutes-archive-leaves | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O | retro_3c435225993324d9 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_100a02009a9f6fc7 | retro-task-v2 | train | paroutes-archive-leaves | C=CCCCc1ccc(C(=O)O)cc1 | retro_100a02009a9f6fc7 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_ab36b44227220c1b | retro-task-v2 | train | paroutes-archive-leaves | Nc1cc(Cl)ccc1COC1CCCCO1 | retro_ab36b44227220c1b | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_25b5aa7b44ad762a | retro-task-v2 | train | paroutes-archive-leaves | CCCc1ccnc(C(N)=O)c1 | retro_25b5aa7b44ad762a | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_236036e77ce7b952 | retro-task-v2 | train | paroutes-archive-leaves | O=C(O)CCc1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1 | retro_236036e77ce7b952 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_df47e61847c4ac06 | retro-task-v2 | train | paroutes-archive-leaves | CNCC1Cc2cccc(-c3cccc(OC)c3OC)c2O1 | retro_df47e61847c4ac06 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_c348322825f5f6e3 | retro-task-v2 | train | paroutes-archive-leaves | Cc1cc([N+](=O)[O-])ccc1N(C)C(=O)c1ccccc1 | retro_c348322825f5f6e3 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_a6fd342af10110a1 | retro-task-v2 | train | paroutes-archive-leaves | CCCCN(C)C(=O)CCCCCCCN | retro_a6fd342af10110a1 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_46a9c3b851954e73 | retro-task-v2 | train | paroutes-archive-leaves | NNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | retro_46a9c3b851954e73 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_ab5ee318fd4cef39 | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc(NC(C)=O)c1 | retro_ab5ee318fd4cef39 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_5226adf85fef8444 | retro-task-v2 | train | paroutes-archive-leaves | CN(C)CCOC1CCN(C(=O)OC(C)(C)C)CC1 | retro_5226adf85fef8444 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_69e40adadde317a5 | retro-task-v2 | train | paroutes-archive-leaves | Cn1c(C(N)=O)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1CC1CCCCC1 | retro_69e40adadde317a5 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_216973ae76946e97 | retro-task-v2 | train | paroutes-archive-leaves | CCCC(C(=O)OCC)c1c(C)nc2nc(Cc3ccccc3)nn2c1-c1ccc(C)cc1 | retro_216973ae76946e97 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_2d6a7f116daf3f53 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(O)CCCc1ccc(C#N)c(Oc2ccc(F)c3c2CC[C@H]3Oc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | retro_2d6a7f116daf3f53 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_fb265c9144417481 | retro-task-v2 | train | paroutes-archive-leaves | Cc1cc2c(-c3cccc(/C=C/C=O)c3)c(CC(=O)Nc3ccc(F)cc3C(F)(F)F)c(=O)oc2cc1Cl | retro_fb265c9144417481 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_ef149c151bbf1cb7 | retro-task-v2 | train | paroutes-archive-leaves | C#Cc1cccc(OC)c1NC(=O)OC(C)(C)C | retro_ef149c151bbf1cb7 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_cc4eb00b30fbd2ce | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)CC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)CC1 | retro_cc4eb00b30fbd2ce | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_02a2765941bae648 | retro-task-v2 | train | paroutes-archive-leaves | C#Cc1cccc(C(=O)OC(C)(C)C)c1 | retro_02a2765941bae648 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_6f30f5bfa6ba12b8 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C/C=C/CCOS(C)(=O)=O | retro_6f30f5bfa6ba12b8 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_ca60cfa9370edbb5 | retro-task-v2 | train | paroutes-archive-leaves | CCc1c(NC2CC2)c([N+](=O)[O-])cc(F)c1N1CCN(C)CC1 | retro_ca60cfa9370edbb5 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_24b358892ffade7f | retro-task-v2 | train | paroutes-archive-leaves | Cc1c(CCC(=O)O)c[nH]c1C=C1C(=O)Nc2ccc(I)cc21 | retro_24b358892ffade7f | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_546c36a2cc9f5db9 | retro-task-v2 | train | paroutes-archive-leaves | COc1ccccc1-c1n[nH]c2ncc(-c3cccc(C(O)C(=O)N(C)C)c3)cc12 | retro_546c36a2cc9f5db9 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_9e9c16b3f1a9481c | retro-task-v2 | train | paroutes-archive-leaves | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCN(C)CC5)c4)ccc3F)c2)CCN1C | retro_9e9c16b3f1a9481c | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_4c1a77e8c29731a4 | retro-task-v2 | train | paroutes-archive-leaves | O=[N+]([O-])c1ccc(CCN2CCN(CC(F)c3ccc([N+](=O)[O-])cc3)CC2)cc1 | retro_4c1a77e8c29731a4 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_4a995a88da15de29 | retro-task-v2 | train | paroutes-archive-leaves | Cc1ccc(N(CCc2ccc(F)cc2)C(=O)Cc2nc3ccccc3[nH]2)cc1C | retro_4a995a88da15de29 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_23249bec0e5ec229 | retro-task-v2 | train | paroutes-archive-leaves | N[C@@H](CC1CCCC1)C(=O)NC1CCCN(C(=O)OCc2ccccc2)CC1O | retro_23249bec0e5ec229 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0c70b1c903720703 | retro-task-v2 | train | paroutes-archive-leaves | COC(=O)/C=C/c1cnc(N[C@H](C)CN(C)Cc2ccccc2)cn1 | retro_0c70b1c903720703 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_11f1bc41c5e72130 | retro-task-v2 | train | paroutes-archive-leaves | Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)nc1 | retro_11f1bc41c5e72130 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_7dd5a0d328d3d48f | retro-task-v2 | train | paroutes-archive-leaves | CC(C)Oc1cc(C(=O)O)nc2cc(C(F)(F)F)ccc12 | retro_7dd5a0d328d3d48f | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_e5b165ae0a811dea | retro-task-v2 | train | paroutes-archive-leaves | CCN(CCCCNC(=O)OCc1ccccc1)S(C)(=O)=O | retro_e5b165ae0a811dea | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_a1909f6419586bf7 | retro-task-v2 | train | paroutes-archive-leaves | [N-]=[N+]=NCc1ccc2c(NC(=O)c3ccccc3)nccc2c1 | retro_a1909f6419586bf7 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_f0967dbd53027b4f | retro-task-v2 | train | paroutes-archive-leaves | CCN(CC)CC(C)(C)Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)OC)OC[C@@H]1C[C@H]21 | retro_f0967dbd53027b4f | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0dfed0698cb944d7 | retro-task-v2 | train | paroutes-archive-leaves | COc1ccc(CCN(C)C(C)(C)CO)cc1 | retro_0dfed0698cb944d7 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_1a90fc8dd8ee96a8 | retro-task-v2 | train | paroutes-archive-leaves | CCOc1ccc2cccc(N)c2c1 | retro_1a90fc8dd8ee96a8 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_81328e046e548c0f | retro-task-v2 | train | paroutes-archive-leaves | O=C(CCCCCc1ccccc1)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)n1 | retro_81328e046e548c0f | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_0679b579e935224e | retro-task-v2 | train | paroutes-archive-leaves | CCCN1CCC(Oc2cc(OC)cc3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 | retro_0679b579e935224e | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_3d5cd845ae4dda37 | retro-task-v2 | train | paroutes-archive-leaves | CNc1cc(-c2cc(C(C)C)ccc2OC)nc(N)n1 | retro_3d5cd845ae4dda37 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_612fc2f0d3d37aea | retro-task-v2 | train | paroutes-archive-leaves | O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(OC2CC2)c(NC(=O)C2(N3CCOCC3)CC2)c1 | retro_612fc2f0d3d37aea | standard |
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