ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
34919 | COc1ccc(C2CC(c3ccccc3OC)n3ncnc3N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][N][=C][N][=C][Ring1][Branch1][N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | C16CC(c2ccccc25)n2ncnc2N1.c14ccc6cc1.CO4.O5C |
34920 | COc1ccc(C2CC(c3cccc(OC)c3)Nc3ncnn32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c14ccc(C2CC6Nc3ncnn32)cc1.c16cccc5c1.CO4.O5C |
34921 | Cc1sc2ncnc(SCC(=O)C(C)(C)C)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][=Ring1][P][C] | Cc1sc2ncnc4c2c1C.C3C(=O)C(C)(C)C.S34 |
34922 | Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cnccn1 | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][P][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cn1c6nnc17.c15ccccc1F.c17cnccn1.C4C3=O.S46.N35 |
34923 | COn1c(SC(C)C)nc2ccccc2c1=O | [C][O][N][C][Branch1][#Branch1][S][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O] | COn1c4nc2ccccc2c1=O.C3(C)C.S34 |
34924 | COc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][=Branch1][=N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1][S][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c14ccc(C2=Nn3c5nnc3SC2)cc1.c15ccco1.CO4 |
34925 | C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccnc1 | [C][=C][C][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc(C#N)cc1.n14c6nnc17.c17cccnc1.C=CC4.S36.C35 |
34926 | Cn1c(SCC(=O)C(C)(C)C)nnc1-c1cccs1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=N][C][=C][C][=C][S][Ring1][Branch1] | Cn1c3nnc14.C2C(=O)C(C)(C)C.c14cccs1.S23 |
34927 | Cn1c(SCc2ccccc2F)nnc1-c1cnccn1 | [C][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=C][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccccc1F.c16cnccn1.S35.C34 |
34928 | CC(C)OC(=O)CSc1nnc(-c2ccc(F)cc2)n1N | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c16nnc7n1N.c17ccc(F)cc1.C3(=O)C5.CC4C.O34.S56 |
34929 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1-n1nc(C)cc1C | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | c15cnc6nc17.n16nc(C)cc1C.n17nc(C)cc1C.C35=O.CC4.O34 |
34930 | CCn1cc2c(c1-c1ccc(C)cc1)c(=O)n(C)c(=O)n2C | [C][C][N][C][=C][C][=Branch1][#C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][P][C] | n13cc2c(c14)c(=O)n(C)c(=O)n2C.c14ccc(C)cc1.CC3 |
34931 | CC(C)OC(=O)CSc1nnc(-c2cccs2)n1C | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C] | c16nnc7n1C.c17cccs1.C3(=O)C5.CC4C.O34.S56 |
34932 | Cc1ccc(CSc2nnc(-c3ccncc3)n2N)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc5cc1C.c16nnc7n1N.c17ccncc1.C45.S46 |
34933 | CCn1c(SCc2ccc(OC)cc2)nnc1-c1cccnc1 | [C][C][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15c7nnc18.c16ccc3cc1.c18cccnc1.CC5.S47.C46.O3C |
34934 | COc1ccccc1-c1nn2c(-c3ccco3)nnc2s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N] | c16nn2c5nnc2s1.c14ccccc16.c15ccco1.CO4 |
34935 | O=c1c2c(nc3n1CCCS3)OC(c1ccccc1)CC2 | [O][=C][C][=C][Branch1][N][N][=C][N][Ring1][=Branch1][C][C][C][S][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | O=c1c2c(nc3n1CCCS3)OC4CC2.c14ccccc1 |
34937 | NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Ring1][=N][N] | c15ccc(Cl)cc1Cl.c14nnc5n1N.NC(=O)C3.S34 |
34938 | C=CCn1c(SCC(N)=O)nnc1-c1cccs1 | [C][=C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | n13c4nnc15.c15cccs1.C2C(N)=O.C=CC3.S24 |
34939 | Cc1cc(C)n(-c2ncc3c(n2)N(CCO)CCOC3=O)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][C][C][O][C][Ring1][O][=O][N][=Ring2][Ring1][Branch1] | c15ncc2c(n1)N4CCOC2=O.Cc1cc(C)n5n1.C4CO |
34940 | COc1ccc2c(c1)[nH]c1c(N3CCC(C(N)=O)CC3)ncnc12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][Branch1][S][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][N][=C][N][=C][Ring1][#C][Ring2][Ring1][Ring1] | c14ccc2c(c1)[nH]c1c5ncnc12.N15CCC6CC1.C6(N)=O.CO4 |
34941 | Cn1c(SCc2cccc(F)c2)nnc1-c1cnccn1 | [C][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14cccc(F)c1.c16cnccn1.S35.C34 |
34942 | CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1 | [C][C][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][N][=C][Ring1][S][C][=C][N][=C][C][=N][Ring1][=Branch1] | c16nc2ccccc2[nH]1.n15c7nnc18.c18cnccn1.CC5.S47.C46 |
34943 | COc1ccc(N2CC(c3nc4ccccc4n3C)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | c17nc2ccccc2n1C.c15ccc6cc1.N16CC7CC1=O.CO5 |
34944 | Cc1nc(N)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 | [C][C][=N][C][Branch1][C][N][=C][S][C][=N][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][Ring1][=C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][N] | Cc1nc(N)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 |
34945 | COc1cccc(-c2nnc(SCC(=O)OC(C)C)n2N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][Ring1][=N][N][=C][Ring2][Ring1][Ring2] | c15cccc8c1.c18nnc7n1N.C6C3=O.C4(C)C.CO5.S67.O34 |
34946 | CN(C)c1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c17nn2c6nnc2s1.c15ccc7cc1.c16ccccn1.CN5C |
34947 | C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cccnc1 | [C][=C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | n13c4nnc15.C2C(=O)C(C)(C)C.c15cccnc1.C=CC3.S24 |
34948 | N#Cc1cnc2c3cc4c(nc3nn2c1N)CCCC4 | [N][#C][C][C][=N][C][=C][C][=C][C][=Branch1][=N][=N][C][Ring1][=Branch1][=N][N][Ring1][=Branch2][C][=Ring1][=N][N][C][C][C][C][Ring1][N] | N#Cc1cnc2c3cc4c(nc3nn2c1N)CCCC4 |
34949 | Cc1nnc(SCSc2ncccn2)s1 | [C][C][=N][N][=C][Branch1][N][S][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][S][Ring1][=C] | Cc1nnc3s1.c14ncccn1.S3CS4 |
34950 | Oc1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 | [O][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c17nc2c3cnn6c3ncn2n1.Oc1ccc7cc1.c16ccccc1 |
34951 | CCc1nc2c3cnn(-c4ccc(C)cc4C)c3ncn2n1 | [C][C][C][N][=C][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=Ring1][=N][N][=C][N][Ring1][P][N][=Ring2][Ring1][Ring2] | c15nc2c3cnn6c3ncn2n1.c16ccc(C)cc1C.CC5 |
34952 | CCc1ccc(CCC(=O)Nc2ccc(NC(C)=O)cc2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][Ring2][Ring1][Ring2] | c15ccc6cc1.c17ccc8o1.C8CC3=O.C4(C)=O.CC7.N35.N46 |
34953 | CCC(C)c1ccccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O | [C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | c15c[nH]c(=O)[nH]c1=O.c16ccccc14.CCC6C.C3C2=O.O34.N25 |
34954 | COc1cc2[nH]c3c(N4CCCC(C)C4)ncnc3c2cc1OC | [C][O][C][=C][C][NH1][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][=C][N][=C][Ring1][=N][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C] | c15cc2[nH]c3c7ncnc3c2cc16.N17CCCC(C)C1.CO5.O6C |
34955 | Oc1ccc(-c2nnc3c4cnn(-c5ccc(F)cc5)c4ncn23)cc1 | [O][C][=C][C][=C][Branch2][Ring1][P][C][=N][N][=C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=C][N][Ring2][Ring1][Ring1][Ring1][S][C][=C][Ring2][Ring1][=Branch2] | c17nnc2c3cnn6c3ncn12.Oc1ccc7cc1.c16ccc(F)cc1 |
34956 | CCOc1ccc2[nH]c3c(OCC)ncnc3c2c1 | [C][C][O][C][=C][C][=C][NH1][C][=C][Branch1][Ring2][O][C][C][N][=C][N][=C][Ring1][=Branch2][C][Ring1][N][=C][Ring1][S] | c17ccc2[nH]c3c6ncnc3c2c1.CC4.O47.O56.C5C |
34957 | Cc1nnc(NC(=O)C2(C)Cc3ccccc3C(=O)O2)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][N][S][Ring2][Ring1][Ring2] | C16(C)Cc2ccccc2C(=O)O1.Cc1nnc5s1.C46=O.N45 |
34958 | CC1(C)Cc2occc2C(NC(=O)c2ccc(F)cc2)C1 | [C][C][Branch1][C][C][C][C][O][C][=C][C][=Ring1][Branch1][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2] | CC1(C)Cc2occc2C(N3)C1.c14ccc(F)cc1.C34=O |
34959 | CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 | [C][C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2c(c(=O)[nH]c(=O)n2C)n17.c14ccccc1.C7C3.CC5.N56.O34 |
34960 | Cn1ncc2c1ncn1nc(-c3ccccc3F)nc21 | [C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Ring1][S][Ring1][N] | Cn1ncc2c1ncn1nc4nc21.c14ccccc1F |
34961 | CCOC(=O)C1C2C=CC3(CN(c4cccc(Cl)c4)C(=O)C13)O2 | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C17C2C=CC3(CN8C(=O)C13)O2.c18cccc(Cl)c1.C57=O.CC6.O56 |
34962 | CC1(C(=O)Nc2ccc(F)cc2)Cc2ccccc2C(=O)O1 | [C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring2][Ring1][Branch1] | CC15Cc2ccccc2C(=O)O1.c14ccc(F)cc1.C35=O.N34 |
34963 | Cn1ncc2c1ncn1nc(-c3cccc(F)c3)nc21 | [C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][Ring1][S][Ring1][N] | Cn1ncc2c1ncn1nc4nc21.c14cccc(F)c1 |
34964 | CCOc1ccc2[nH]c3c(N4CCOCC4)ncnc3c2c1 | [C][C][O][C][=C][C][=C][NH1][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c16ccc2[nH]c3c7ncnc3c2c1.N17CCOCC1.CC5.O56 |
34965 | CCc1nc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn2n1 | [C][C][C][N][=C][C][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=N][N][=C][N][Ring1][P][N][=Ring2][Ring1][Ring2] | c15nc2c3cnn6c3ncn2n1.c16ccc(Cl)c(Cl)c1.CC5 |
34966 | Cc1cc(C(=O)N2CCCCC2)c2cc(F)ccc2n1 | [C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc4c2cc(F)ccc2n1.N13CCCCC1.C34=O |
34967 | Cc1ccc(-n2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O][C][=C][Ring2][Ring1][Branch2][C] | n15ncc2c1ncn1nc6nc21.Cc1ccc5cc1C.c16ccncc1 |
34968 | Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][P][N][C][C][Branch1][C][C][C][N][C][Ring1][#Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2] | N14CC(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C.Cc1cccc4c1 |
34969 | O=C(COc1ccccc1)Nc1ncc2c(n1)CCCC2=O | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O] | c16ncc2c(n1)CCCC2=O.c15ccccc1.O=C3C4.O45.N36 |
34970 | Fc1ccc(-n2ncc3c2ncn2cnnc32)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Ring1][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][C] | n14ncc2c1ncn1cnnc21.Fc1ccc4cc1 |
34971 | CCOC(=O)C1C2C=CC3(CN(c4ccccc4CC)C(=O)C13)O2 | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=C][O][Ring2][Ring1][C] | C17C2C=CC3(CN9C(=O)C13)O2.c19ccccc18.C57=O.CC6.O56.C8C |
34972 | COc1ccc(CNc2oc(-c3ccco3)nc2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][#N][C][=C][Ring2][Ring1][Ring2] | c16oc8nc1C#N.c14ccc7cc1.c18ccco1.CO4.C57.N56 |
34973 | COC(=O)C(Cc1ccccc1)NC(=O)N1CCCCC1C | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C] | N14CCCCC1C.C2(=O)C5C6.c16ccccc1.C34=O.CO2.N35 |
34974 | O=C(Nc1ncnc2sc3c(c12)CCCC3)c1cccs1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | c15ncnc2sc3c(c12)CCCC3.c16cccs1.O=C46.N45 |
34975 | C=C1C2(C(=O)NCc3cccnc3)CCC(C2)C1(C)C | [C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Branch1][Ring2][C][Ring1][#C][C][Ring1][P][Branch1][C][C][C] | C=C1C26CCC(C2)C1(C)C.c17cccnc1.C46=O.N45.C57 |
34976 | Oc1ccccc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][N][=Ring2][Ring1][C] | c16nc2c3cnn5c3ncn2n1.Oc1ccccc16.c15ccccc1 |
34977 | CCc1ccc(CCC(=O)Nc2nccs2)o1 | [C][C][C][=C][C][=C][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][O][Ring1][#C] | c15ccc6o1.C6CC3=O.c14nccs1.CC5.N34 |
34978 | COC(=O)C(CC(C)C)NC(=O)N1CCCCC1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | C2(=O)C5CC(C)C.N14CCCCC1.C34=O.CO2.N35 |
34979 | N#Cc1nc(-c2ccco2)oc1N1CCc2ccccc2C1 | [N][#C][C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][=Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.N#Cc1nc4oc13.c14ccco1 |
34981 | C=CCn1c2nc3ccccc3nc2c2c(=O)n(C(C)CC)cnc21 | [C][=C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][Branch1][C][C][C][C][C][=N][C][=Ring1][O][Ring2][Ring1][=Branch1] | n14c2nc3ccccc3nc2c2c(=O)n5cnc21.C5(C)CC.C=CC4 |
34982 | COC(=O)C(NC(=O)Nc1cccc(Cl)c1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][C][C] | C2(=O)C5C(C)C.c16cccc(Cl)c1.C34=O.CO2.N35.N46 |
34983 | Cc1nc2ccc(F)cc2cc1C(=O)N1CCCc2ccccc21 | [C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | Cc1nc2ccc(F)cc2cc14.N13CCCc2ccccc21.C34=O |
34984 | COc1cccc(-n2c(N)c(C(N)=O)c3nc4ccccc4nc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][Branch1][C][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][P][=C][Ring2][Ring1][#Branch1] | n17c(N)c6c2nc3ccccc3nc21.c15cccc7c1.C6(N)=O.CO5 |
34985 | CCn1c(=O)[nH]c2cc(C(=O)N3CCCCC3)ccc2c1=O | [C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][C][Ring2][Ring1][Ring1][=O] | n16c(=O)[nH]c2cc5ccc2c1=O.N14CCCCC1.C45=O.CC6 |
34986 | Cc1cccc(C(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O][=C][Ring2][Ring1][=Branch1] | c15ncc2c(n1)CC(C)(C)CC2=O.Cc1cccc6c1.C46=O.N45 |
34987 | Cc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][=O][C][=C][Ring2][Ring1][=Branch2] | c15ncc2c(n1)CC7CC2=O.Cc1ccc6cc1.c17ccco1.C46=O.N45 |
34988 | Cc1ccc(-n2nnnc2SCC(N)=O)c(C)c1 | [C][C][=C][C][=C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][Branch1][C][N][=O][C][Branch1][C][C][=C][Ring1][P] | Cc1ccc4c(C)c1.n14nnnc15.C3C(N)=O.S35 |
34989 | CC1(C)Cc2c(sc3nc(-c4cccs4)n(N)c(=O)c23)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][O][S][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][C][N][C][=Branch1][C][=O][C][Ring1][S][=Ring1][=N][C][O][Ring2][Ring1][Branch1] | CC1(C)Cc2c(sc3nc5n(N)c(=O)c23)CO1.c15cccs1 |
34990 | Cc1ccc2[nH]c3c(NCC4CCCO4)ncnc3c2c1 | [C][C][=C][C][=C][NH1][C][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][=C][N][=C][Ring1][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Cc1ccc2[nH]c3c6ncnc3c2c1.C17CCCO1.N56.C57 |
34991 | Cn1c(=O)[nH]c(=O)c2c1nc(Nc1ccccc1)n2CCO | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][C][O] | Cn1c(=O)[nH]c(=O)c2c1nc3n25.c14ccccc1.C5CO.N34 |
34992 | Cc1coc2c1C(NC(=O)c1cccs1)CCC2 | [C][C][=C][O][C][=C][Ring1][Branch1][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][=C] | Cc1coc2c1C(N3)CCC2.c14cccs1.C34=O |
34993 | CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccncc1 | [C][C][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15c6nnc17.c17ccncc1.N13CCCC1.C4C3=O.CC5.S46 |
34994 | Cc1nc2c3cnn(-c4cc(Cl)ccc4C)c3ncn2n1 | [C][C][N][=C][C][C][=N][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][=Ring1][=N][N][=C][N][Ring1][P][N][=Ring2][Ring1][Ring2] | Cc1nc2c3cnn5c3ncn2n1.c15cc(Cl)ccc1C |
34995 | Cc1cccc(-c2nc3c4cnn(C)c4ncn3n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][#Branch2][N][=Ring1][=N][=C][Ring2][Ring1][Ring1] | c15nc2c3cnn(C)c3ncn2n1.Cc1cccc5c1 |
34996 | COc1cccc2[nH]c3c(N4CCOCC4)ncnc3c12 | [C][O][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][C][Ring2][Ring1][Ring1][=Ring1][#C] | c15cccc2[nH]c3c6ncnc3c12.N16CCOCC1.CO5 |
34997 | COc1cccc2[nH]c3c(N4CCCCC4)ncnc3c12 | [C][O][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][C][Ring2][Ring1][Ring1][=Ring1][#C] | c15cccc2[nH]c3c6ncnc3c12.N16CCCCC1.CO5 |
34998 | CCNc1oc(COc2ccccc2F)nc1C#N | [C][C][N][C][O][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=Ring1][=C][C][#N] | c16oc7nc1C#N.c14ccccc1F.CC5.N56.C37.O34 |
34999 | O=C(Nc1ccc(Cl)cc1)NC1CCCc2occc21 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2] | N4C1CCCc2occc21.c15ccc(Cl)cc1.O=C34.N35 |
35000 | Clc1cccc(-n2ncc3c2ncn2c(-c4ccncc4)nnc32)c1 | [Cl][C][=C][C][=C][C][Branch2][Ring1][=N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][Ring1][O][=C][Ring2][Ring1][Branch2] | n15ncc2c1ncn1c6nnc21.Clc1cccc5c1.c16ccncc1 |
35002 | CCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2)n(C)c1=O | [C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | n15c(=O)c2c(nc3n2CCCN34)n(C)c1=O.c14cccc(C)c1.CC5 |
35003 | Cc1ccc(-n2ncc3c2ncn2c(-c4ccncc4)nnc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2] | n15ncc2c1ncn1c6nnc21.Cc1ccc5c(C)c1.c16ccncc1 |
35004 | COC(=O)C(NC(=O)Nc1ccc(OC)cc1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][C] | C2(=O)C6C(C)C.c17ccc5cc1.C34=O.CO2.N36.N47.O5C |
35005 | Cc1ccc(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][#Branch1] | N14CCCn2c1nc1c2c(=O)n(C)c(=O)n1C.Cc1ccc4cc1 |
35006 | O=C(CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1cccnc1 | [O][=C][Branch2][Ring1][O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C3CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c21.c13cccnc1 |
35007 | Cc1ccc2c(c1)[nH]c1c(N3CCCCC3)ncnc12 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][S] | Cc1ccc2c(c1)[nH]c1c4ncnc12.N14CCCCC1 |
35008 | CCn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C | [C][C][N][C][=C][C][=Branch1][#C][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][P][C] | n13cc2c(c14)c(=O)n(C)c(=O)n2C.c14cccc(C)c1.CC3 |
35009 | CCCn1c(CNC(=O)c2ccccc2)nc2ccccc21 | [C][C][C][N][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n16c7nc2ccccc21.c15ccccc1.CCC6.C35=O.C47.N34 |
35010 | CCn1c(=O)[nH]c2cc(C(=O)NC3CCCCC3)ccc2c1=O | [C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][C][Ring2][Ring1][Ring2][=O] | n17c(=O)[nH]c2cc6ccc2c1=O.C15CCCCC1.C46=O.CC7.N45 |
35011 | CCCc1nnc(NC(=O)C2(C)Cc3ccccc3C(=O)O2)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][N][S][Ring2][Ring1][Ring2] | C16(C)Cc2ccccc2C(=O)O1.c17nnc5s1.CCC7.C46=O.N45 |
35012 | O=C(CN1C(=O)COc2ccccc21)Nc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=C3CN1C(=O)COc2ccccc21.c14ccc(Cl)cc1.N34 |
35013 | Cc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(N)=O)sc3n2)o1 | [C][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][Ring1][=Branch2][=N][Ring1][P][O][Ring2][Ring1][=Branch1] | c16cc5c2c(N)c4sc2n1.Cc1ccc6o1.C5(F)(F)F.C4(N)=O |
35014 | CCN1CCOC(CC(=O)Nc2cccc(C)c2)C1=O | [C][C][N][C][C][O][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][P][=O] | N15CCOC6C1=O.c14cccc(C)c1.C6C3=O.CC5.N34 |
35016 | COc1cccc2[nH]c3c(N4CCCC(C)C4)ncnc3c12 | [C][O][C][=C][C][=C][C][NH1][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][=C][N][=C][Ring1][=N][C][Ring2][Ring1][Ring2][=Ring1][S] | c15cccc2[nH]c3c6ncnc3c12.N16CCCC(C)C1.CO5 |
35017 | O=C(CN1C(=O)COc2ccccc21)Nc1cccnc1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C3CN1C(=O)COc2ccccc21.c14cccnc1.N34 |
35018 | c1coc(-c2nc3nc4ccccc4nc3n2CC2CCCO2)c1 | [C][=C][O][C][Branch2][Ring1][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][Ring1][=N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch2] | c17nc2nc3ccccc3nc2n15.c1coc7c1.C16CCCO1.C56 |
35019 | COc1ccccc1-c1nc(C#N)c(N2CCOCC2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][=N] | c15nc(C#N)c4o1.c13ccccc15.N14CCOCC1.CO3 |
35020 | Cc1cn(Cc2c(Cl)cccc2Cl)c(=O)[nH]c1=O | [C][C][=C][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][NH1][C][Ring1][S][=O] | Cc1cn3c(=O)[nH]c1=O.c14c(Cl)cccc1Cl.C34 |
35021 | CCC(CO)Nc1ncnc2c1oc1ccccc12 | [C][C][C][Branch1][Ring1][C][O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c14ncnc2c1oc1ccccc12.CCC3CO.N34 |
35022 | O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)CCCC3 | [O][=C][C][C][=C][Branch2][Ring1][#Branch1][S][C][=Ring1][Branch1][N][C][=N][N][=C][Ring1][Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][Ring2] | O=c1c2c3c(sc2n2cnnc2n14)CCCC3.c14ccccc1 |
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