ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
27496 | O=C(Cn1nnc2ccccc21)Nc1ccccc1F | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | n15nnc2ccccc21.c14ccccc1F.O=C3C5.N34 |
27497 | O=C(Cn1cnc2ccccc21)Nc1ccccc1F | [O][=C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | n15cnc2ccccc21.c14ccccc1F.O=C3C5.N34 |
27499 | COc1ccc(OC)c(NC(=O)CSc2ncc(C#N)c(N)n2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] | c18ncc(C#N)c(N)n1.c14ccc5c7c1.C3(=O)C6.CO4.O5C.N37.S68 |
27500 | N#Cc1cnc(SCC(=O)NCc2ccco2)nc1N | [N][#C][C][=C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][P][N] | N#Cc1cnc7nc1N.c16ccco1.C5C3=O.S57.N34.C46 |
27501 | COc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c18ncc(C#N)c(N)n1.c14ccc7c5c1.C3(=O)C6.CO4.N37.S68.O5C |
27502 | CCc1cccc(CC)c1NC(=O)CSc1ncc(C#N)c(N)n1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2] | c17ncc(C#N)c(N)n1.c15cccc6c14.C2(=O)C3.CC5.C6C.N24.S37 |
27503 | N#Cc1cnc(SCc2cc(=O)[nH]c3ccccc23)nc1N | [N][#C][C][=C][N][=C][Branch2][Ring1][Ring2][S][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring1][N] | c15cc(=O)[nH]c2ccccc12.N#Cc1cnc6nc1N.S46.C45 |
27504 | N#Cc1cnc(SCC(=O)Nc2ccc(F)cc2)nc1N | [N][#C][C][=C][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][N] | N#Cc1cnc6nc1N.c15ccc(F)cc1.C4C3=O.S46.N35 |
27506 | NC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7n14.c17ccccc1O.c15ccccc1.NC(=O)C3.S36.C45 |
27507 | COc1ccccc1-c1nnc(SCC(=O)N2CCCCC2)n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][Ring1][#C][C] | c14ccccc17.c17nnc6n1C.N13CCCCC1.C5C3=O.CO4.S56 |
27508 | Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(O)cc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | Cn1c7nnc18.c18ccc(O)cc1.c16ccco1.C5C3=O.S57.N34.C46 |
27510 | Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(O)cc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | Cn1c6nnc17.c17ccc(O)cc1.C15CCCCC1.C4C3=O.S46.N35 |
27511 | COc1ccc(NC(=O)c2ccc(Br)cc2)c(N)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][N][=C][Ring1][P] | c14ccc5c(N)c1.c16ccc(Br)cc1.C36=O.CO4.N35 |
27512 | CCc1cccc(CC)c1NC(=O)CSc1nc(N)cc(N)n1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2] | c15cccc6c14.c17nc(N)cc(N)n1.C2(=O)C3.CC5.C6C.N24.S37 |
27513 | CCc1ccccc1NC(=O)CSc1nc(N)cc(N)n1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2] | c16nc(N)cc(N)n1.c15ccccc14.C2(=O)C3.CC5.N24.S36 |
27515 | O=C(NC1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc(S4(=O)=O)cc1.N14CCOCC1.C15CCCC1.O=C36.N35 |
27516 | N#CC(Cc1cccs1)C(=O)Nc1ccccc1 | [N][#C][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#CC(C4)C2=O.c13ccccc1.c14cccs1.N23 |
27517 | Cc1ccc(NC(=O)C(C#N)Cc2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc4cc1.C3(=O)C(C#N)C5.c15cccnc1.N34 |
27518 | Cc1ccc(NC(=O)C(C#N)Cc2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc4cc1.C3(=O)C(C#N)C5.c15cccs1.N34 |
27519 | Cc1cccc(NC(=O)C(C#N)Cc2cccnc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1cccc4c1.C3(=O)C(C#N)C5.c15cccnc1.N34 |
27520 | Cc1cccc(NC(=O)C(C#N)Cc2cccs2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][C] | Cc1cccc4c1.C3(=O)C(C#N)C5.c15cccs1.N34 |
27521 | Cc1ccccc1NC(=O)C(C#N)Cc1cccnc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1ccccc13.C2(=O)C(C#N)C4.c14cccnc1.N23 |
27523 | Cc1ccc(NC(=O)C(C#N)Cc2cccnc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc4c(C)c1.C3(=O)C(C#N)C5.c15cccnc1.N34 |
27524 | Cc1cc(C)cc(NC(=O)C(C#N)Cc2cccnc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc4cc(C)c1.C3(=O)C(C#N)C5.c15cccnc1.N34 |
27525 | Cc1ccc(C)c(NC(=O)C(C#N)Cc2cccnc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1ccc(C)c4c1.C3(=O)C(C#N)C5.c15cccnc1.N34 |
27526 | Cc1cccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cccc6c1.c16nnc5n14.c14ccccc1.C3C(N)=O.S35 |
27527 | Nc1cc(N)nc(SCC(=O)N2CCc3ccccc32)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][Ring2][Ring1][Ring2] | N14CCc2ccccc21.Nc1cc(N)nc6n1.C5C4=O.S56 |
27529 | CCc1ccccc1NC(=O)CSc1nnc(C)s1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1] | c15ccccc14.c16nnc(C)s1.C2(=O)C3.CC5.N24.S36 |
27530 | CCc1cccc(C)c1NC(=O)CSc1nnc(C)s1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1] | c15cccc(C)c14.c16nnc(C)s1.C2(=O)C3.CC5.N24.S36 |
27531 | CCOc1cccc(NC(=O)CSc2nnc(C)s2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][P] | c15cccc7c1.c18nnc(C)s1.C3(=O)C6.CC4.O45.N37.S68 |
27532 | Cc1nnc(SCC(=O)Nc2cccc(O)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][S][Ring1][P] | c15cccc(O)c1.Cc1nnc6s1.C4C3=O.S46.N35 |
27533 | Cc1nnc(SCC(=O)N2CCC(C)CC2)s1 | [C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Ring1][S] | N13CCC(C)CC1.Cc1nnc5s1.C4C3=O.S45 |
27534 | Cc1nnc(SCC(=O)N2CCCC(C)C2)s1 | [C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][S][Ring1][S] | N13CCCC(C)C1.Cc1nnc5s1.C4C3=O.S45 |
27535 | Cc1nnc(SCC(=O)N2CCCc3ccccc32)s1 | [C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][Ring1] | N14CCCc2ccccc21.Cc1nnc6s1.C5C4=O.S56 |
27541 | Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OCO3)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=Ring2][Ring1][Ring1] | c15ccc2c(c1)OCO2.Cc1cc(C)n6n1.C6C4=O.N45 |
27542 | Cc1cc2ncn(CC(=O)Nc3ccc4c(c3)OCO4)c2cc1C | [C][C][=C][C][N][=C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C] | Cc1cc2ncn7c2cc1C.c16ccc2c(c1)OCO2.C7C5=O.N56 |
27543 | Cc1cc2ncn(CC(=O)Nc3ccccc3)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][C] | Cc1cc2ncn6c2cc1C.c15ccccc1.C6C4=O.N45 |
27544 | Cc1cc2ncn(CC(=O)Nc3ccccc3C)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][C] | Cc1cc2ncn6c2cc1C.c15ccccc1C.C6C4=O.N45 |
27545 | Cc1cc(C)c(NC(=O)Cn2cnc3cc(C)c(C)cc32)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | n16cnc2cc(C)c(C)cc21.Cc1cc(C)c5c(C)c1.C4(=O)C6.N45 |
27546 | COc1ccccc1NC(=O)Cn1cnc2cc(C)c(C)cc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O] | n16cnc2cc(C)c(C)cc21.c14ccccc15.C3(=O)C6.CO4.N35 |
27547 | COc1ccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O][C][=C][Ring2][Ring1][Branch1] | n17cnc2cc(C)c(C)cc21.c15ccc6cc1.C4(=O)C7.CO5.N46 |
27548 | COc1ccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | n18cnc2cc(C)c(C)cc21.c15ccc7c6c1.C4(=O)C8.CO5.N47.O6C |
27549 | Cc1cc2ncn(CC(=O)NCc3ccccc3)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][C] | Cc1cc2ncn6c2cc1C.c17ccccc1.C6C4=O.N45.C57 |
27550 | Cc1cc2ncn(CC(=O)N3CCCC3)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Ring1][=N][C][=C][Ring1][P][C] | Cc1cc2ncn5c2cc1C.N14CCCC1.C5C4=O |
27551 | Cc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc9cc1.c16cccc8c1.c19nnc7o1.n18cnnn1.C57.O56 |
27552 | O=C(COc1cccc(-n2cnnn2)c1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cccc6c1.c15ccc(F)cc1.n16cnnn1.O=C5C3.O34 |
27554 | Cc1cccc(C)c1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N] | c15ccc2c(C)cc(=O)oc2c1.Cc1cccc(C)c16.C3(=O)C4.N36.O45 |
27556 | Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3F)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C] | Cc1cc(=O)oc2cc6ccc12.c17ccccc1F.C5C4=O.O56.N47 |
27557 | Cc1cc(=O)oc2cc(OCC(=O)NCc3ccco3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][P] | Cc1cc(=O)oc2cc6ccc12.c18ccco1.C5C4=O.O56.N47.C78 |
27558 | Cc1sc2ncnc(Oc3cccc(-n4cnnn4)c3)c2c1C | [C][C][S][C][=N][C][=N][C][Branch2][Ring1][Ring1][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][=C][Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2ncnc5c2c1C.c16cccc7c1.n17cnnn1.O56 |
27560 | O=C(COc1cccc(-n2cnnn2)c1)NCc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccc8c1.c17ccccc1.n18cnnn1.O=C3C4.O45.N36.C67 |
27561 | O=C(CSc1nncn1-c1ccccn1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1.c15nncn14.c14ccccn1.O=C3C2.S25 |
27562 | O=C(CSc1nncn1-c1ccccn1)c1ccccc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nncn14.c14ccccn1.c13ccccc1.O=C3C2.S25 |
27563 | Cc1ccc(CSc2nncn2-c2ccccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc4cc1.c16nncn15.c15ccccn1.C34.S36 |
27564 | CN(C)C(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | c15nnc2n1C(C)(C)Cc1ccccc1-2.C3(=O)C4.CN3C.S45 |
27566 | O=C(COc1cccc(-n2cnnn2)c1)NC1CCCCC1 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][N][C][C][C][C][C][C][Ring1][=Branch1] | c15cccc7c1.C16CCCCC1.n17cnnn1.O=C3C4.O45.N36 |
27567 | O=C(COc1cccc(-n2cnnn2)c1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c15cccc6c1.N13CCOCC1.n16cnnn1.O=C3C4.O45 |
27568 | O=C(COc1cccc(-n2cnnn2)c1)N1CCCc2ccccc21 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCCc2ccccc21.c15cccc6c1.n16cnnn1.O=C3C4.O45 |
27569 | COC(=O)CSc1nnc(COc2cccc(C)c2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Ring1][=C][C] | c18nnc7n1C.c15cccc(C)c1.C3(=O)C6.CO3.S68.C47.O45 |
27570 | Cc1ccccc1OCc1nnc(SCC(N)=O)n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C] | Cc1ccccc13.c15nnc6n1C.C4C(N)=O.O23.C25.S46 |
27571 | COC(=O)CSc1nnc(COc2ccccc2C)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=C][C] | c18nnc7n1C.c15ccccc1C.C3(=O)C6.CO3.S68.C47.O45 |
27572 | COC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][=C][C] | c18nnc7n1C.c15ccc(Cl)cc1.C3(=O)C6.CO3.S68.C47.O45 |
27574 | COC(=O)C(C)Sc1nnc(COc2ccc(Cl)cc2)n1C | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][=C][C] | c18nnc7n1C.c15ccc(Cl)cc1.C3(=O)C6C.CO3.S68.C47.O45 |
27575 | Cc1cc(OCc2nnc(SCC(N)=O)n2C)ccc1Cl | [C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1cc4ccc1Cl.c16nnc7n1C.C5C(N)=O.O34.C36.S57 |
27576 | CCSc1nnc(COc2ccc(CC)cc2)n1C | [C][C][S][C][=N][N][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][N][Ring1][#C][C] | c18nnc6n1C.c14ccc7cc1.CC5.S58.C36.O34.C7C |
27577 | COc1ccccc1-n1c(SCC(N)=O)nnc1-c1cccnc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c12ccccc14.n14c5nnc16.c16cccnc1.C3C(N)=O.CO2.S35 |
27579 | COc1cccc(NC(=O)CSc2ncc(C#N)c(N)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c17ncc(C#N)c(N)n1.c14cccc6c1.C3(=O)C5.CO4.N36.S57 |
27580 | Cn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] | Cn1c6nc2ccccc2c1=O.c15ccc(F)cc1.C4C3=O.S46.N35 |
27581 | COC(=O)CSc1nc2ccccc2c(=O)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C] | c15nc2ccccc2c(=O)n1C.C3(=O)C4.CO3.S45 |
27582 | Cn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | Cn1c5nc2ccccc2c1=O.N13CCOCC1.C4C3=O.S45 |
27583 | Cn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | Cn1c5nc2ccccc2c1=O.N13CCCCC1.C4C3=O.S45 |
27584 | Cn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1c7nc2ccccc2c1=O.c16ccco1.C5C3=O.S57.N34.C46 |
27585 | Cn1c(SCC(=O)Nc2cccc(O)c2)nc2ccccc2c1=O | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] | Cn1c6nc2ccccc2c1=O.c15cccc(O)c1.C4C3=O.S46.N35 |
27587 | Cc1ccc(OCc2nnc(SCC(N)=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc4cc1.c16nnc7n1C.C5C(N)=O.O34.C36.S57 |
27588 | COC(=O)CSc1nnc(COc2ccc(C)cc2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][=C][C] | c18nnc7n1C.c15ccc(C)cc1.C3(=O)C6.CO3.S68.C47.O45 |
27589 | Cc1ccc(OCc2nnc(SC(C)C)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=N][N][=C][Branch1][#Branch1][S][C][Branch1][C][C][C][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][C] | Cc1ccc4cc1.c16nnc7n1C.C5(C)C.O34.C36.S57 |
27590 | COC(=O)CSc1nnc(COc2ccccc2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C] | c18nnc7n1C.c15ccccc1.C3(=O)C6.CO3.S68.C47.O45 |
27591 | Cn1c(COc2ccccc2)nnc1SCC(=O)c1ccccc1 | [C][N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c7nnc18.c14ccccc1.c16ccccc1.C5C6=O.C37.O34.S58 |
27592 | Cn1c(COc2ccccc2)nnc1SCC(=O)N1CCCCC1 | [C][N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | Cn1c7nnc18.c15ccccc1.N13CCCCC1.C6C3=O.C47.O45.S68 |
27593 | Cc1cc(C)cc(NC(=O)CSc2nc(N)cc(N)n2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | Cc1cc5cc(C)c1.c16nc(N)cc(N)n1.C3(=O)C4.N35.S46 |
27594 | COc1ccccc1-n1nnnc1SCC(=O)NCc1ccco1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c13ccccc17.n17nnnc18.c16ccco1.C5C2=O.CO3.S58.N24.C46 |
27596 | COc1ccccc1-n1nnnc1SCC(=O)N1CCCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c13ccccc15.n15nnnc16.N12CCCCC1.C4C2=O.CO3.S46 |
27597 | COc1ccccc1-n1nnnc1SCC(=O)c1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c12ccccc15.c14ccc(C)cc1.n15nnnc16.C3C4=O.CO2.S36 |
27598 | CCOc1ccc(-n2nnnc2SCC(N)=O)cc1 | [C][C][O][C][=C][C][=C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][Branch1][C][N][=O][C][=C][Ring1][S] | c14ccc6cc1.n16nnnc17.C5C(N)=O.CC3.O34.S57 |
27599 | COC(=O)c1cccc(NC(=O)Cn2nnc3ccccc32)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | n18nnc2ccccc21.c17cccc6c1.C5(=O)C8.C47=O.CO4.N56 |
27600 | COC(=O)c1cccc(NC(=O)Cn2nc(C)cc2C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16cccc5c1.n17nc(C)cc1C.C4(=O)C7.C36=O.CO3.N45 |
27601 | CCN(CC)C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O] | c17nnc2c(n1)[nH]c1ccc(F)cc12.C3(=O)C6.N345.CC4.C5C.S67 |
27602 | Nc1cc(N)nc(SCC(=O)Nc2ccccc2F)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Ring1] | Nc1cc(N)nc6n1.c15ccccc1F.C4C3=O.S46.N35 |
27604 | CCn1nnnc1SCC(=O)Nc1ccccc1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nnnc16.c14ccccc1.C3C2=O.CC5.S36.N24 |
27605 | CCn1nnnc1SCC(=O)Nc1ccc(OC)cc1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c15ccc3cc1.n16nnnc17.C4C2=O.CC6.S47.N25.O3C |
27606 | CCn1nnnc1SCC(=O)Nc1cccc(Cl)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14cccc(Cl)c1.n15nnnc16.C3C2=O.CC5.S36.N24 |
27607 | CCn1nnnc1SCC(=O)Nc1cccc(C)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c14cccc(C)c1.n15nnnc16.C3C2=O.CC5.S36.N24 |
27608 | CCn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c14cccc6c1.n15nnnc17.C3C2=O.C6(F)(F)F.CC5.S37.N24 |
27609 | CCn1nnnc1SCC(=O)Nc1ccccc1C(=O)OC | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C] | c15ccccc16.n17nnnc18.C4C3=O.C26=O.CC7.S48.N35.O2C |
27610 | CCn1nnnc1SCC(=O)N(c1ccccc1)c1ccccc1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16nnnc17.c14ccccc1.c15ccccc1.C3C2=O.N245.CC6.S37 |
27611 | CCn1nnnc1SCC(=O)Nc1ccccc1OC | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c15ccccc13.n16nnnc17.C4C2=O.CC6.S47.N25.O3C |
27612 | CCn1nnnc1SCC(=O)c1ccc(C)cc1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c13ccc(C)cc1.n14nnnc15.C2C3=O.CC4.S25 |
27613 | CCn1nnnc1SCC(=O)c1ccc(C)cc1C | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] | c13ccc(C)cc1C.n14nnnc15.C2C3=O.CC4.S25 |
27614 | CCc1ccccc1NC(=O)CSc1nnnn1CC | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C] | c16ccccc14.c17nnnn15.C2(=O)C3.CC6.N24.S37.C5C |
27615 | CCn1nnnc1SCC(=O)Nc1ccc(OC)cc1OC | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c16ccc3cc14.n17nnnc18.C5C2=O.CC7.S58.N26.O3C.O4C |
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