ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
43905 | CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NC(C)(C)C)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] | c19cccc7c1.N14CCCC18.C6(C)(C)C.CC9=O.C34=O.C58=O.N37.N56 |
43906 | CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NC2CCCC2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | c19cccc6c1.N14CCCC18.C17CCCC1.CC9=O.C34=O.C58=O.N36.N57 |
43907 | CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NC(C)C)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2] | c19cccc7c1.N14CCCC18.CC9=O.C34=O.C58=O.C6(C)C.N37.N56 |
43908 | O=C(Nc1ccccc1)C1CCCN1C(=O)Nc1ccc(F)cc1F | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c16ccc(F)cc1F.c15ccccc1.C17CCCN13.O=C27.C34=O.N25.N46 |
43909 | CC(C)NC(=O)C1CCCN1C(=O)Nc1ccc(F)cc1F | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c16ccc(F)cc1F.C17CCCN13.CC5C.C27=O.C34=O.N25.N46 |
43911 | CC(=O)NC1(c2ccccc2)CCN(C(C)=O)CC1 | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][#C] | C156CCN4CC1.c16ccccc1.CC3=O.C4(C)=O.N35 |
43912 | CC(=O)Nc1ccc(-c2nnn(CC(N)=O)n2)cc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][N][=N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][=Ring1][=Branch2][C][=C][Ring1][#C][Cl] | c14ccc6cc1Cl.c16nnn5n1.C5C(N)=O.CC3=O.N34 |
43913 | COc1ccc(C2NC(=O)NC3=C2C(=O)OC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][=C][Ring1][P] | C15NC(=O)NC2=C1C(=O)OC2.c14ccc5cc1.CO4 |
43914 | O=C1NC2=C(C(=O)OC2)C(c2ccc(Cl)cc2)N1 | [O][=C][N][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][P] | O=C1NC2=C(C(=O)OC2)C3N1.c13ccc(Cl)cc1 |
43915 | O=C1NC2=C(C(=O)OC2)C(c2ccc(Br)cc2)N1 | [O][=C][N][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Ring1][P] | O=C1NC2=C(C(=O)OC2)C3N1.c13ccc(Br)cc1 |
43916 | COc1cc(C2NC(=O)NC3=C2C(=O)OC3)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | C17NC(=O)NC2=C1C(=O)OC2.c14cc7cc5c16.CO4.O5C.O6C |
43917 | COc1ccc(OC)c(C2NC(=O)NC3=C2C(=O)OC3)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | C16NC(=O)NC2=C1C(=O)OC2.c14ccc5c6c1.CO4.O5C |
43918 | O=C1NC2=C(C(=O)OC2)C(c2ccc(F)c(F)c2)N1 | [O][=C][N][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][Ring2][Ring1][C] | O=C1NC2=C(C(=O)OC2)C3N1.c13ccc(F)c(F)c1 |
43919 | O=c1c2cnn(-c3ccc(F)cc3)c2nnn1Cc1ccccc1 | [O][=C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=N][N][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2cnn6c2nnn14.c16ccc(F)cc1.c15ccccc1.C45 |
43920 | O=c1c2cnn(-c3ccc(F)cc3)c2nnn1Cc1ccc(F)cc1 | [O][=C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=N][N][Ring1][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=c1c2cnn6c2nnn14.c16ccc(F)cc1.c15ccc(F)cc1.C45 |
43921 | COC(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O | [C][O][C][=Branch1][C][=O][C][N][N][=N][C][=C][Branch1][P][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S][=O] | n14nnc2c(cnn25)c1=O.c15ccc(F)cc1.C3(=O)C4.CO3 |
43922 | NC(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O | [N][C][=Branch1][C][=O][C][N][N][=N][C][=C][Branch1][P][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S][=O] | n13nnc2c(cnn24)c1=O.c14ccc(F)cc1.NC(=O)C3 |
43923 | O=c1c2cnn(-c3ccccc3)c2nnn1Cc1ccccn1 | [O][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=N][N][Ring1][#C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=c1c2cnn6c2nnn14.c16ccccc1.c15ccccn1.C45 |
43924 | O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)NC1CC1 | [O][=C][Branch2][Ring1][#Branch2][C][N][N][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][N][C][C][C][Ring1][Ring1] | n15nnc2c(cnn26)c1=O.c16ccccc1.O=C3C5.C14CC1.N34 |
43925 | CC(C)OC(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][N][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | n15nnc2c(cnn26)c1=O.c16ccccc1.C3(=O)C5.CC4C.O34 |
43926 | O=C(NCc1ccccc1)NC1(C(=O)N2CCCC2)CCCCC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][=N] | C178CCCCC1.c19ccccc1.N15CCCC1.O=C34.C58=O.N36.C69.N47 |
43927 | Cc1cccc(C)c1NC(=O)NC1(C(=O)N2CCCC2)CCCCC1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][=N] | Cc1cccc(C)c17.C168CCCCC1.N15CCCC1.C34=O.C58=O.N37.N46 |
43928 | CC(=O)OC(C(=O)NCC1CCCO1)c1ccc(F)cc1 | [C][C][=Branch1][C][=O][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc(F)cc1.C47C3=O.C16CCCO1.CC2=O.O24.N35.C56 |
43929 | CC(=O)OC(C(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 | [C][C][=Branch1][C][=O][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c18ccc2c(c1)OCO2.c17ccc(F)cc1.C57C4=O.CC3=O.O35.N46.C68 |
43930 | CC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1 | [C][C][=Branch1][C][=O][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CCCCC1.c16ccccc1.C46C3=O.CC2=O.O24.N35 |
43931 | CC(=O)OC(C(=O)NC1CCCCC1)c1ccc(C)cc1 | [C][C][=Branch1][C][=O][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c16ccc(C)cc1.C15CCCCC1.C46C3=O.CC2=O.O24.N35 |
43932 | CC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1F | [C][C][=Branch1][C][=O][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.C15CCCCC1.C46C3=O.CC2=O.O24.N35 |
43933 | CC(=O)OC(C(=O)NC1CCCCC1)c1cccc(F)c1 | [C][C][=Branch1][C][=O][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.C15CCCCC1.C46C3=O.CC2=O.O24.N35 |
43934 | CC(=O)OC(C(=O)NCc1ccco1)c1cccnc1 | [C][C][=Branch1][C][=O][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17cccnc1.C47C3=O.c16ccco1.CC2=O.O24.N35.C56 |
43935 | CC(=O)OC(C(=O)NCc1ccco1)c1ccncc1 | [C][C][=Branch1][C][=O][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c17ccncc1.C47C3=O.c16ccco1.CC2=O.O24.N35.C56 |
43937 | COc1ccc(C(OC(C)=O)C(=O)NC2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c16ccc8cc1.C17CCCCC1.C58C4=O.C3(C)=O.CO6.O35.N47 |
43938 | Cc1ccccc1-c1nnc(N(C)C(=O)C2CC2)s1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][Ring1][N] | Cc1ccccc16.c16nnc4s1.N34C.C35=O.C15CC1 |
43940 | CCN(C(C)=O)c1nnc(-c2ccccc2C)s1 | [C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][N] | c16ccccc1C.c15nnc6s1.N345.C3(C)=O.CC4 |
43941 | CCCN(C(C)=O)c1nnc(-c2ccccc2C)s1 | [C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][N] | c16ccccc1C.c15nnc6s1.CCC4.N345.C3(C)=O |
43942 | CCCN(C(=O)CC)c1nnc(-c2ccccc2C)s1 | [C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][N] | c16ccccc1C.c15nnc6s1.C3(=O)CC.CCC4.N345 |
43943 | CCCC(=O)N(C)c1nnc(-c2cccc(C)c2)s1 | [C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][Ring1][N] | c15cccc(C)c1.c14nnc5s1.CCCC3=O.N34C |
43944 | Cc1cccc(-c2nnc(N(C)C(=O)C3CC3)s2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][Ring1][N][=C][Ring2][Ring1][C] | Cc1cccc7c1.c17nnc5s1.N45C.C46=O.C16CC1 |
43945 | CCC(=O)N(C)c1nnc(-c2cccc(C)c2)s1 | [C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][Ring1][N] | c15cccc(C)c1.c14nnc5s1.CCC3=O.N34C |
43946 | CCCN(C(C)=O)c1nnc(-c2cccc(C)c2)s1 | [C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][Ring1][N] | c16cccc(C)c1.c15nnc6s1.CCC4.N345.C3(C)=O |
43947 | CC(=O)N(C)c1nnc(-c2cccc(F)c2)s1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Ring1][N] | c15cccc(F)c1.c14nnc5s1.CC3=O.N34C |
43948 | CCCC(=O)N(C)c1nnc(-c2cccc(F)c2)s1 | [C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Ring1][N] | c15cccc(F)c1.c14nnc5s1.CCCC3=O.N34C |
43949 | CCC(=O)N(C)c1nnc(-c2cccc(F)c2)s1 | [C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Ring1][N] | c15cccc(F)c1.c14nnc5s1.CCC3=O.N34C |
43950 | CCCN(C(C)=O)c1nnc(-c2cccc(F)c2)s1 | [C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Ring1][N] | c16cccc(F)c1.c15nnc6s1.CCC4.N345.C3(C)=O |
43951 | CCOc1ccc(-c2nnc(N(C)C(C)=O)s2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][S][Ring1][#Branch2][C][=C][Ring1][S] | c15ccc7cc1.c17nnc6s1.N36C.C3(C)=O.CC4.O45 |
43952 | CCCN(C(C)=O)c1nnc(-c2ccc(OCC)cc2)s1 | [C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][N][=C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][S][Ring1][=C] | c18ccc5cc1.c17nnc8s1.CCC6.N367.C3(C)=O.O45.C4C |
43953 | CCCC(=O)N(c1nnc(-c2cccnc2)s1)C1CCCC1 | [C][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][C][C][C][C][C][Ring1][Branch1] | c14nnc6s1.c16cccnc1.CCCC3=O.C15CCCC1.N345 |
43954 | CC(C)CC(=O)N(c1nnc(-c2cccnc2)s1)C1CCCC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][C][C][C][C][C][Ring1][Branch1] | CC(C)CC3=O.c14nnc6s1.c16cccnc1.C15CCCC1.N345 |
43955 | CC(C)N(C(=O)c1ccco1)c1nnc(-c2cccnc2)s1 | [C][C][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc7s1.c17cccnc1.c16ccco1.CC4C.N345.C36=O |
43956 | CC(=O)N(Cc1ccccc1)c1nnc(-c2ccncc2)s1 | [C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | c16ccccc1.c15nnc7s1.c17ccncc1.CC3=O.N345.C46 |
43957 | CCCC(=O)N(c1nnc(-c2ccncc2)s1)C(C)C | [C][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O][C][Branch1][C][C][C] | c15nnc6s1.c16ccncc1.CCCC3=O.N345.C4(C)C |
43958 | CC(C)C(=O)N(c1nnc(-c2ccncc2)s1)C(C)C | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O][C][Branch1][C][C][C] | c15nnc6s1.c16ccncc1.CC(C)C3=O.N345.C4(C)C |
43959 | Cc1ccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch2] | n15cnc2c(cnn26)c1=O.Cc1ccc4cc1.c16ccccc1.C4(=O)C5 |
43960 | Cc1ccc(-n2ncc3c(SCC(N)=O)ncnc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=C][C][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=C][N][=C][Ring1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C] | n15ncc2c6ncnc21.Cc1ccc5cc1C.C4C(N)=O.S46 |
43962 | CC1(C)Oc2ccc(C(=O)N3CCCCC3)cc2NC1=O | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][Ring2][Ring1][Ring1][=O] | CC1(C)Oc2ccc5cc2NC1=O.N14CCCCC1.C45=O |
43963 | Cc1ccc(CNc2nc(C)nc3c2nnn3Cc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] | c15nc(C)nc2c1nnn26.Cc1ccc7cc1.c18ccccc1.C47.N45.C68 |
43964 | CCOC(=O)C(C)Sc1nnc(-c2ccco2)c(-c2ccco2)n1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][S] | c16nnc7c8n1.C3(=O)C5C.c17ccco1.c18ccco1.CC4.O34.S56 |
43965 | COc1ccc2c(c1)C(=O)NC2CC(=O)NCCC(C)C | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C] | c14ccc2c(c1)C(=O)NC2CC3=O.C5CC(C)C.CO4.N35 |
43966 | O=C(Nc1ccccc1)C1CCCN1C(=O)Nc1ccc(F)cc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.c15ccccc1.C17CCCN13.O=C27.C34=O.N25.N46 |
43967 | Cc1ccc(NC(=O)N2CCCC2C(=O)NC2CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.N14CCCC18.C34=O.C58=O.C17CC1.N36.N57 |
43968 | Nc1ccc(-c2csc(-c3cccnc3)n2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P] | Nc1ccc4cc1.c14csc5n1.c15cccnc1 |
43969 | CC(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | c15ncnc2c1nnn26.N14CCN5CC1.c17ccccc1.CC4=O.C67 |
43971 | CC(C)CNc1ncnc2c1nnn2Cc1c(F)cccc1Cl | [C][C][Branch1][C][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c14ncnc2c1nnn25.c16c(F)cccc1Cl.CC(C)C3.N34.C56 |
43972 | O=C1C2CCCN2C(=O)c2ccccc2N1Cc1ccc(F)cc1 | [O][=C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=C1C2CCCN2C(=O)c2ccccc2N1C3.c13ccc(F)cc1 |
43975 | COc1cccc(C2(O)CCN(C(=O)c3cccs3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Ring2] | C17(O)CCN4CC1.c15cccc7c1.c16cccs1.C46=O.CO5 |
43976 | CCCC(=O)N1CCC(O)(c2cccc(F)c2)CC1 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C] | N13CCC4(O)CC1.c14cccc(F)c1.CCCC3=O |
43977 | O=C(c1ccccc1Cl)N1CCC(O)(c2cccnc2)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N] | N13CCC5(O)CC1.c14ccccc1Cl.c15cccnc1.O=C34 |
43978 | Cc1ccc(S(=O)(=O)N2CCC(O)(c3cccnc3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S4(=O)=O)cc1.N14CCC5(O)CC1.c15cccnc1 |
43979 | O=C(C1CCC1)N1CCC(O)(c2cccc(F)c2)CC1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C] | N13CCC5(O)CC1.c15cccc(F)c1.C14CCC1.O=C34 |
43980 | O=C(c1c(F)cccc1F)N1CCC(O)(c2cccnc2)CC1 | [O][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N] | c14c(F)cccc1F.N13CCC5(O)CC1.c15cccnc1.O=C34 |
43981 | COc1cccc(C2(O)CCN(C(=O)Cc3cccnc3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][Branch1][C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S][=C][Ring2][Ring1][=Branch1] | C17(O)CCN4CC1.c15cccc7c1.c16cccnc1.C4(=O)C6.CO5 |
43984 | CN(C(=O)c1ccccn1)c1nnc(-c2ccccn2)s1 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | c15ccccn1.c14nnc6s1.c16ccccn1.CN34.C35=O |
43985 | CN(C(=O)c1ccno1)c1nnc(-c2ccccn2)s1 | [C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | c14nnc6s1.c16ccccn1.c15ccno1.CN34.C35=O |
43986 | CC(=O)N(CC1CCCO1)c1nnc(-c2ccccn2)s1 | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | c15nnc7s1.c17ccccn1.C16CCCO1.CC3=O.N345.C46 |
43987 | Cc1cnc(-c2nnc(N(C)C(=O)C3CCCO3)s2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][S][Ring1][=C][C][=N][Ring2][Ring1][Ring2] | Cc1cnc7cn1.c17nnc5s1.C16CCCO1.N45C.C46=O |
43989 | Cc1ccc(-c2nnc(N(C)C(=O)C3CCCO3)s2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][S][Ring1][=C][C][=N][Ring2][Ring1][Ring2] | Cc1ccc7cn1.c17nnc5s1.C16CCCO1.N45C.C46=O |
43990 | Cc1ccc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][P][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][#C][C][=N][Ring2][Ring1][Branch1] | Cc1ccc7cn1.c17nnc5s1.c16cccnc1.N45C.C46=O |
43991 | CN(C(=O)c1ccncc1)c1nnc(-c2ccncc2)s1 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | c15ccncc1.c14nnc6s1.c16ccncc1.CN34.C35=O |
43992 | COCC(=O)N(C)c1nnc(-c2ccncc2)s1 | [C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc6s1.c16ccncc1.C4C3=O.N35C.CO4 |
43993 | CN(C(=O)C1CCCO1)c1nnc(-c2cnccn2)s1 | [C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | c14nnc6s1.c16cnccn1.C15CCCO1.CN34.C35=O |
43995 | CN(C(=O)c1ccccn1)c1nnc(-c2cnccn2)s1 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | c15ccccn1.c14nnc6s1.c16cnccn1.CN34.C35=O |
43996 | CN(C(=O)c1cnccn1)c1nnc(-c2cnccn2)s1 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | c15cnccn1.c14nnc6s1.c16cnccn1.CN34.C35=O |
43997 | CN(C(=O)c1ccno1)c1nnc(-c2cnccn2)s1 | [C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | c14nnc6s1.c16cnccn1.c15ccno1.CN34.C35=O |
43998 | COCC(=O)N(C)c1nnc(-c2cnccn2)s1 | [C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | c15nnc6s1.c16cnccn1.C4C3=O.N35C.CO4 |
44000 | CC(=O)N(CC1CCCO1)c1nnc(-c2cnccn2)s1 | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | c15nnc7s1.c17cnccn1.C16CCCO1.CC3=O.N345.C46 |
44001 | Cc1nnc(N(C(=O)c2cnccn2)c2ccccc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Branch2][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2] | Cc1nnc4s1.c16cnccn1.c15ccccc1.N345.C36=O |
44002 | Cc1nnc(N(C)C(=O)Cc2ccc3c(c2)OCO3)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | c16ccc2c(c1)OCO2.Cc1nnc5s1.C4(=O)C6.N45C |
44003 | Cc1nnc(N(C)C(=O)c2ccc3c(c2)OCO3)s1 | [C][C][=N][N][=C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Ring2][Ring1][C] | c16ccc2c(c1)OCO2.Cc1nnc5s1.N45C.C46=O |
44006 | COCC(=O)N(CC1CCCO1)c1nnc(C)s1 | [C][O][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1] | c15nnc(C)s1.C16CCCO1.C3C2=O.N245.CO3.C46 |
44007 | CN(C(=O)C1CCOC1)c1nnc(-c2cccnc2)s1 | [C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c14nnc6s1.c16cccnc1.C15CCOC1.CN34.C35=O |
44008 | CN(C(=O)c1ccc(C#N)cc1)c1nnc(-c2cccnc2)s1 | [C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15ccc(C#N)cc1.c14nnc6s1.c16cccnc1.CN34.C35=O |
44009 | CN(C(=O)c1ccncc1)c1nnc(-c2cccnc2)s1 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15ccncc1.c14nnc6s1.c16cccnc1.CN34.C35=O |
44010 | CN(C(=O)c1cnccn1)c1nnc(-c2cccnc2)s1 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15cnccn1.c14nnc6s1.c16cccnc1.CN34.C35=O |
44011 | COCC(=O)N(C)c1nnc(-c2cccnc2)s1 | [C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc6s1.c16cccnc1.C4C3=O.N35C.CO4 |
44012 | CN(C(=O)c1cccc(C#N)c1)c1nnc(-c2cccnc2)s1 | [C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15cccc(C#N)c1.c14nnc6s1.c16cccnc1.CN34.C35=O |
44013 | Fc1ccccc1Cn1nnc2c(NCc3ccccn3)ncnc21 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][N][=C][Ring1][=C][Ring1][P] | n16nnc2c5ncnc21.Fc1ccccc18.c17ccccn1.C68.N45.C47 |
44014 | CN(CCO)c1ncnc2c1nnn2Cc1ccccc1F | [C][N][Branch1][Ring2][C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ncnc2c1nnn25.c16ccccc1F.CN34.C3CO.C56 |
44015 | OC1CCN(c2ncnc3c2nnn3Cc2ccccc2F)CC1 | [O][C][C][C][N][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring2][Ring1][#Branch1] | c14ncnc2c1nnn25.OC1CCN4CC1.c16ccccc1F.C56 |
44016 | CC1CCCC(C)N1c1ncnc2c1nnn2Cc1ccccc1F | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13ncnc2c1nnn24.CC1CCCC(C)N13.c15ccccc1F.C45 |
44017 | COC(=O)CNc1ncnc2c1nnn2Cc1ccccc1 | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ncnc2c1nnn26.c17ccccc1.C3(=O)C4.CO3.N45.C67 |
44018 | COC(=O)CNc1ncnc2c1nnn2Cc1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ncnc2c1nnn26.c17ccccc1Cl.C3(=O)C4.CO3.N45.C67 |
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