ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
34089 | N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2N)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][N][N][C][=C][Ring2][Ring1][Branch1] | N#Cc1ccc5cc1.c16nnc7n1N.c17ccccc1F.C45.S46 |
34090 | C=C(C)CSc1nnc(-c2ccc(F)cc2)n1N | [C][=C][Branch1][C][C][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c14nnc5n1N.c15ccc(F)cc1.C=C(C)C3.S34 |
34092 | Cc1ccc(C)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=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] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(C)c5c1.C4(=O)C6.N45 |
34093 | Cn1nc(-c2ccccc2)nc1-c1ccccc1O | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | Cn1nc3nc14.c14ccccc1O.c13ccccc1 |
34094 | Cc1nn(C(=O)c2cccs2)c2c1C1C(C2)C1(C)C | [C][C][=N][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][N][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][C][C] | Cc1nn(C3=O)c2c1C1C(C2)C1(C)C.c13cccs1 |
34095 | CCOC(=O)C1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][S] | c17c(Cl)cccc1Cl.C16CCCN4C1.C36=O.C47=O.CC5.O35 |
34096 | CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 | [C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16cnc2c1c(=O)n(C)c(=O)n2C.c15ccccc1.C3(=O)C6.N345.CC4 |
34097 | COC(=O)C1CCN(C(=O)c2ccc(SC)cc2OC)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][O][C][C][C][Ring2][Ring1][C] | c17ccc8cc15.C16CCN4CC1.C36=O.C47=O.CO3.S8C.O5C |
34099 | COc1ccc(NC(=O)c2ccc(=O)oc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6c5c1.c17ccc(=O)oc1.C37=O.CO4.N36.O5C |
34100 | NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N | [N][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] | c14nnc5n1N.c15ccc(F)cc1.NC(=O)C3.S34 |
34102 | Cc1cccc(CSc2nnc(-c3ccncc3)n2N)c1 | [C][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][Ring2][Ring1][Ring2] | Cc1cccc5c1.c16nnc7n1N.c17ccncc1.C45.S46 |
34103 | CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S4(=O)(=O)c1ccc(Cl)cc1.c15ccc6cc1.CC3=O.N35C.N46 |
34104 | N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S3(=O)(=O)c1ccc(Cl)cc1.N#Cc1ccc4cc1.N34 |
34105 | COC(=O)CSc1nnc(-c2ccccn2)n1N | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][N] | c15nnc6n1N.c16ccccn1.C3(=O)C4.CO3.S45 |
34107 | Cc1ccc2nc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cn2c1 | [C][C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][=C][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] | Cc1ccc2nc6cn2c1.c16cccc(S5(=O)=O)c1.N15CCCC1 |
34108 | Nn1c(SCc2c(F)cccc2Cl)nnc1-c1cccnc1 | [N][N][C][Branch1][#C][S][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=N][N][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14c(F)cccc1Cl.Nn1c5nnc16.c16cccnc1.S35.C34 |
34109 | O=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCC2)C1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N] | c16cccc(F)c1.N13CCCC5C1.N14CCCC1.O=C36.C45=O |
34110 | COc1c(Cl)cc(C(=O)Nc2nnn(C)n2)cc1Cl | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][S][Cl] | c14c(Cl)cc6cc1Cl.c15nnn(C)n1.C36=O.CO4.N35 |
34111 | COC(=O)COn1c(OC)nc2ccccc2c1=O | [C][O][C][=Branch1][C][=O][C][O][N][C][Branch1][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] | O4n1c5nc2ccccc2c1=O.C3(=O)C4.CO3.O5C |
34112 | CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 | [C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S] | S5(=O)(=O)c1ccc6cc1.c17ccccc1C.CC3=O.C47=O.N35.N46 |
34113 | CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 | [C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | S5(=O)(=O)c1ccc6cc1.c17ccc(C)cc1.CC3=O.C47=O.N35.N46 |
34114 | c1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][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][=Branch1] | c17nn2c8nnc2s1.c1ccc6cc1.c18ccccn1.O56.C57 |
34115 | Cc1ccc(CSc2nnc(-c3ccccn3)n2N)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc5cc1C.c16nnc7n1N.c17ccccn1.C45.S46 |
34116 | Cc1ccccc1CSc1nnc(-c2ccncc2)n1N | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][N] | Cc1ccccc14.c15nnc6n1N.c16ccncc1.C34.S35 |
34118 | O=C(CN1C(=O)c2cccc3cccc1c23)NCC1CCCO1 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | O=C4CN1C(=O)c2cccc3cccc1c23.C16CCCO1.N45.C56 |
34120 | Cc1cccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][=C][S][C][=Branch1][=Branch2][=C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][N][N][=Ring1][#C][=C][Ring2][Ring1][Branch1] | c15nc2sc(=Cc3ccco3)c(=O)n2n1.Cc1cccc5c1 |
34121 | c1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][C][=Branch1][=C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][S][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c1ccc(C2=Nn3c4nnc3SC2)cc1.c14ccccn1 |
34122 | Cc1ccc(C)c(CSc2nnc(-c3ccncc3)n2N)c1 | [C][C][=C][C][=C][Branch1][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][Ring2][Ring1][Branch1] | Cc1ccc(C)c5c1.c16nnc7n1N.c17ccncc1.C45.S46 |
34124 | CC(C)OC(=O)CSc1nnc(-c2ccncc2)n1N | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][N] | c16nnc7n1N.c17ccncc1.C3(=O)C5.CC4C.O34.S56 |
34125 | CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1 | [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][C][=C][N][=C][Ring1][=Branch1] | c16nc2ccccc2[nH]1.n15c7nnc18.c18cccnc1.CC5.S47.C46 |
34126 | Cc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2][C] | n15cnc2ccccc2c1=O.Cc1ccc4cc1C.C4(=O)C5 |
34127 | Cc1ccc(OC(=O)CCC(=O)NCC2CCCO2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.C3(=O)CCC4=O.C17CCCO1.O35.N46.C67 |
34128 | Cc1ccc(OC(=O)CCC(=O)NC2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.C3(=O)CCC4=O.C16CCCCC1.O35.N46 |
34130 | COc1ccc(C2CC(c3ccc(F)cc3)n3nc(N)nc3N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][N][=C][Branch1][C][N][N][=C][Ring1][=Branch1][N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | C15CC(c2ccc(F)cc2)n2nc(N)nc2N1.c14ccc5cc1.CO4 |
34131 | NC(=O)CSc1nnc(-c2ccc(Cl)cc2)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][N][Ring1][N][N] | c14nnc5n1N.c15ccc(Cl)cc1.NC(=O)C3.S34 |
34135 | CCN(CC)C(=O)CSc1nnc(-c2ccccc2F)n1N | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][N][N] | c17nnc8n1N.c18ccccc1F.C3(=O)C6.N345.CC4.C5C.S67 |
34136 | COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc6cc1.c17nnc8n1C.c18cccnc1.C6(=O)C5.CO4.S57 |
34138 | Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1 | [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][C][=N][C][=C][Ring1][=Branch1] | c15nc2ccccc2[nH]1.Cn1c6nnc17.c17ccncc1.S46.C45 |
34140 | Cn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1 | [C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccc(F)cc1.c16ccccn1.S35.C34 |
34141 | COc1cc(CO)cc(-c2cc(CO)cc(OC)c2O)c1O | [C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][=C][Ring2][Ring1][Ring1][O] | c13cc5cc7c1O.c17cc6cc4c1O.CO3.C5O.C6O.O4C |
34142 | CC(=O)C(C)Oc1ccc2c(C)c(C)c(=O)oc2c1 | [C][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N] | c14ccc2c(C)c(C)c(=O)oc2c1.CC(=O)C3C.O34 |
34143 | CC1(C)CC(C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)CCO1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N][C][C][O][Ring2][Ring1][#Branch1] | N14CC2CC(C1)c1cccc(=O)n1C2.CC1(C)CC5CCO1.C45=O |
34144 | CCC(C)NC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][C][Ring1][#Branch2] | c16c(N)n7c2nc3ccccc3nc12.CCC5C.C7C(C)C.C46=O.N45 |
34145 | Nn1c(SCc2cccc(F)c2)nnc1-c1cccnc1 | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Nn1c5nnc16.c14cccc(F)c1.c16cccnc1.S35.C34 |
34146 | COc1ccc2c(c1OC)C(=O)OC2c1c(N)n(C)c(=O)n(C)c1=O | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=O] | c13ccc2c(c14)C(=O)OC2c1c(N)n(C)c(=O)n(C)c1=O.CO3.O4C |
34147 | Cn1c(SCc2c(F)cccc2F)nnc1-c1cnccn1 | [C][N][C][Branch1][#C][S][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14c(F)cccc1F.Cn1c5nnc16.c16cnccn1.S35.C34 |
34149 | CC(C)OC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][N][N] | c16nnc7n1N.c17cccc(Cl)c1.C3(=O)C5.CC4C.O34.S56 |
34150 | CC(=O)Nc1ccccc1C(=O)N1CCCCC1c1cccnc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc15.N13CCCCC16.c16cccnc1.CC2=O.C35=O.N24 |
34151 | COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)NC21 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring2][Ring1][C][Ring1][O] | c14ccc2c(c15)C(=O)N1c3ccccc3C(=O)NC21.CO4.O5C |
34152 | COc1cccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][N][=C][Branch1][C][N][N][=C][Ring1][=Branch1][N][Ring1][P][=C][Ring2][Ring1][#Branch1] | C15CC(c2cccc(C)c2)n2nc(N)nc2N1.c14cccc5c1.CO4 |
34153 | COc1ccc(C(=O)Cc2ccc3c(c2)OCCCO3)c(O)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][C][Branch1][C][O][=C][Ring2][Ring1][Branch1] | c16ccc2c(c1)OCCCO2.c14ccc5c(O)c1.C5(=O)C6.CO4 |
34154 | COc1ccc(C2NC(=O)c3c(sc4c3CCC4)N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][Branch1][O][S][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1][N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | C16NC(=O)c2c(sc3c2CCC3)N1.c15ccc6cc1.CO5 |
34155 | CC12CCC(C(=O)NCC(F)(F)F)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch1][O][C][Ring1][=C][=O][C][Ring1][S][Branch1][C][C][C] | CC12CCC5(OC1=O)C2(C)C.C4C(F)(F)F.C35=O.N34 |
34156 | CC(=O)Oc1cc(OC(C)=O)c2c(c1)OC(c1ccccc1)CC2=O | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=O] | c15cc6c2c(c1)OC7CC2=O.c17ccccc1.CC3=O.C4(C)=O.O35.O46 |
34157 | COc1ccc2c(c1OC)C(=O)n1c-2nc2ccccc21 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c13ccc2c(c14)C(=O)n1c-2nc2ccccc21.CO3.O4C |
34158 | Cn1c(SCc2ccccc2Cl)nnc1-c1cnccn1 | [C][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][=C][Ring1][=C][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccccc1Cl.c16cnccn1.S35.C34 |
34159 | Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccn1 | [N][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][C][=C][C][=N][Ring1][=Branch1] | Nn1c6nnc17.c15ccccc1F.c17ccccn1.C4C3=O.S46.N35 |
34160 | CCn1c(SCc2ccccc2F)nnc1-c1cnccn1 | [C][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] | n14c6nnc17.c15ccccc1F.c17cnccn1.CC4.S36.C35 |
34162 | Nc1c(N2CCCCC2)c(=O)[nH]c(=O)n1-c1ccccc1 | [N][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1c3c(=O)[nH]c(=O)n14.N13CCCCC1.c14ccccc1 |
34163 | CC(=O)Nc1cc2cc3c4c(c2oc1=O)CCCN4CCC3 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=Branch1][=Branch2][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][C][C][N][Ring1][#Branch2][C][C][C][Ring1][=C] | c16cc2cc3c4c(c2oc1=O)CCCN4CCC3.CC5=O.N56 |
34164 | COc1ccc2[nH]c3c(=O)n(CCN4CCCC4=O)cnc3c2c1 | [C][O][C][=C][C][=C][NH1][C][C][=Branch1][C][=O][N][Branch1][O][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=N][C][=Ring1][#C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2[nH]c3c(=O)n6cnc3c2c1.N17CCCC1=O.C6C7.CO5 |
34165 | COc1ccc(C2=Nc3ncnn3C(c3ccccc3F)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c14ccc(C2=Nc3ncnn3C(c3ccccc3F)C2)cc1.CO4 |
34166 | CCOC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2nc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][N][=C][Ring1][=C][C] | c15cc2c(=O)n(C)c(=O)n(C)c2nc1C.C35=O.CC4.O34 |
34167 | COc1ccc2c(c1OC)C(=O)OC2NC(=O)Nc1ccccc1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc2c(c16)C(=O)OC2N3.c17ccccc1.C34=O.CO5.O6C.N47 |
34168 | O=c1c2[nH]c3ccccc3c2ncn1CC1CCCO1 | [O][=C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][=C][N][Ring1][=N][C][C][C][C][C][O][Ring1][Branch1] | O=c1c2[nH]c3ccccc3c2ncn14.C15CCCO1.C45 |
34169 | Cn1nnc(NC(=O)c2cccc3c(Br)cccc23)n1 | [C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | c16cccc2c(Br)cccc12.Cn1nnc5n1.C46=O.N45 |
34170 | CCOC(=O)c1cc2c(ccc3oc(=O)ccc32)[nH]1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=C][C][O][C][=Branch1][C][=O][C][=C][C][=Ring1][#Branch1][Ring1][O][NH1][Ring1][=C] | c16cc2c(ccc3oc(=O)ccc32)[nH]1.C46=O.CC5.O45 |
34171 | COc1ccc2[nH]c3c(=O)n(CCO)cnc3c2c1 | [C][O][C][=C][C][=C][NH1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][=N][C][=Ring1][#Branch2][C][Ring1][=N][=C][Ring1][P] | c14ccc2[nH]c3c(=O)n5cnc3c2c1.C5CO.CO4 |
34172 | COc1ccc2[nH]c3c(N4CCC(C(N)=O)CC4)ncnc3c2c1 | [C][O][C][=C][C][=C][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][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2[nH]c3c6ncnc3c2c1.N16CCC7CC1.C7(N)=O.CO5 |
34173 | Cn1nnc(NC(=O)c2sc3ccccc3c2Cl)n1 | [C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][=N][Ring2][Ring1][C] | c16sc2ccccc2c1Cl.Cn1nnc5n1.C46=O.N45 |
34174 | COc1ccc2[nH]c3c(N4CCCC4)ncnc3c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2[nH]c3c6ncnc3c2c1.N16CCCC1.CO5 |
34175 | O=C(c1ccncc1)N1C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | N13C2C=CC(C2)C156.c14ccncc1.C5(F)(F)F.C6(F)(F)F.O=C34 |
34176 | CCn1c(SCc2ccccc2F)nnc1-c1ccncc1 | [C][C][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n14c6nnc17.c15ccccc1F.c17ccncc1.CC4.S36.C35 |
34177 | COC(=O)c1ccc(COc2ccc3oc(C)c(C(=O)OC)c3c2)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2][=C][Ring1][=C][O][Ring2][Ring1][Branch1] | c17ccc2oc(C)c9c2c1.c18ccc%10o1.C48=O.C59=O.CO4.C6%10.O67.O5C |
34178 | COc1cccc(C2CC(c3ccccc3)n3nc(N)nc3N2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][N][N][=C][Ring1][=Branch1][N][Ring1][S][=C][Ring2][Ring1][=Branch1] | C15CC(c2ccccc2)n2nc(N)nc2N1.c14cccc5c1.CO4 |
34179 | Cc1cn2c(=O)c3ccccc3nc2nc1Nc1ccccc1C(N)=O | [C][C][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][=C][Ring1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | Cc1cn2c(=O)c3ccccc3nc2nc14.c15ccccc16.C6(N)=O.N45 |
34180 | CC(=O)N1c2ccc(Cl)cc2C2OCCC2C1c1ccco1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][C][C][C][Ring1][Branch1][C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | N13c2ccc(Cl)cc2C2OCCC2C14.c14ccco1.CC3=O |
34181 | COc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c16nn2c7nnc2s1.c15ccc6cc1.c17ccncc1.CO5 |
34182 | CCOC(=O)CSc1nc2ccccc2c(=O)n1OC | [C][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][O][C] | c16nc2ccccc2c(=O)n1OC.C3(=O)C5.CC4.O34.S56 |
34183 | CC1(C)C2CCC1(C)C(OCCN1CCNC1=O)C2 | [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][Branch1][N][O][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][Ring1][S] | CC1(C)C2CCC1(C)C4C2.N15CCNC1=O.C3C5.O34 |
34184 | Cc1ccc(C)c(CSc2nnc(-c3cnccn3)n2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c5c1.c16nnc7n1C.c17cnccn1.C45.S46 |
34187 | O=c1c2[nH]c3ccccc3c2ncn1CCc1c[nH]cn1 | [O][=C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][=C][N][Ring1][=N][C][C][C][=C][NH1][C][=N][Ring1][Branch1] | O=c1c2[nH]c3ccccc3c2ncn14.c15c[nH]cn1.C4C5 |
34188 | COc1cc2cc(=O)c3cc(OC)c(OC)cc3cc2cc1OC | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc2cc(=O)c3cc5c6cc3cc2cc17.CO4.O5C.O6C.O7C |
34189 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCCCC1C | [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][C][C][C][C][C][Ring1][=Branch1][C] | c16cnc7nc15.n17nc(C)cc1C.N15CCCCC1C.C36=O.CC4.O34 |
34190 | O=c1oc2c3c4c(cc2cc1CCO)CCCN4CCC3 | [O][=C][O][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][C][O][C][C][C][N][Ring1][=N][C][C][C][Ring1][P] | O=c1oc2c3c4c(cc2cc15)CCCN4CCC3.C5CO |
34191 | C=C(C)CSc1nnc(C(C)NC(=O)OC(C)(C)C)o1 | [C][=C][Branch1][C][C][C][S][C][=N][N][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#C] | c18nnc7o1.C=C(C)C6.C4(C)(C)C.C57C.C23=O.S68.N35.O24 |
34192 | CC(NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 | [C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | c18nnc%10o1.c19ccccc1.C5(C)(C)C.CC68.C34=O.N46.O35.S7%10.C79 |
34194 | COc1ccc2c(c1OC)C(=O)N1CCC(=O)OC21 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][Ring1][=C][Ring1][#Branch1] | c13ccc2c(c14)C(=O)N1CCC(=O)OC21.CO3.O4C |
34195 | CCCn1nnc(NC(=O)COc2ccc(Cl)cc2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P] | c15ccc(Cl)cc1.n17nnc6n1.C3(=O)C4.CCC7.N36.O45 |
34196 | O=C(OC1CCN2Cc3ccccc3N=C12)c1ccccc1 | [O][=C][Branch2][Ring1][Branch1][O][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CCN2Cc3ccccc3N=C12.c16ccccc1.O=C46.O45 |
34197 | Cn1nnc(NC(=O)c2ccc3ccccc3c2)n1 | [C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c16ccc2ccccc2c1.Cn1nnc5n1.C46=O.N45 |
34198 | COC(=O)Cn1cnc2c([nH]c3ccccc32)c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][=N][=O] | n15cnc2c([nH]c3ccccc32)c1=O.C4(=O)C5.CO4 |
34199 | Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1 | [N][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nn1c6nnc17.c15cccc(F)c1.c17ccccc1.C4C3=O.S46.N35 |
34200 | Cn1nnc(NC(=O)c2cc(Cl)ccc2Cl)n1 | [C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15cc(Cl)ccc1Cl.Cn1nnc4n1.C35=O.N34 |
34201 | c1ccc(OCc2nn3c(-c4cccnc4)nnc3s2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c17nn2c8nnc2s1.c1ccc6cc1.c18cccnc1.O56.C57 |
34202 | CC1(C)C(=O)C2(C(=O)Nc3ncc(Cl)cc3Cl)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][C][Ring2][Ring1][Ring1][C][Ring1][S] | CC1(C)C(=O)C26CCC1C2.c15ncc(Cl)cc1Cl.C46=O.N45 |
34203 | CC(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1OC(C)=O | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][O][C][Ring1][=N][=C][Ring1][P][O][C][Branch1][C][C][=O] | c16ccc2c8cc(=O)oc2c17.c18ccccc1.CC4=O.C5(C)=O.O46.O57 |
34204 | Nn1c(SCc2ccccc2F)nnc1C1CCCCC1 | [N][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1] | Nn1c5nnc16.c14ccccc1F.C16CCCCC1.S35.C34 |
34206 | COc1ccccc1CNc1nc2ccccc2n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c15nc2ccccc2n1C.c13ccccc16.CO3.C46.N45 |
34207 | Nn1c(SCc2cccc(F)c2)nnc1-c1ccccn1 | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Nn1c5nnc16.c14cccc(F)c1.c16ccccn1.S35.C34 |
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