ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
26600 | COc1cc(OC)cc(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1] | c17cc2c(cc19)OCO2.c15cc6cc8c1.C48=O.C9(C)=O.CO5.O6C.N47 |
26601 | CC(=O)c1cc2c(cc1NC(=O)C1CCCCC1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][O][C][O][Ring1][S] | c16cc2c(cc14)OCO2.C15CCCCC1.CC6=O.C35=O.N34 |
26602 | CC(=O)c1cc2c(cc1NC(=O)c1oc3ccccc3c1C)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][O][C][O][Ring2][Ring1][Ring2] | c17cc2c(cc15)OCO2.c16oc2ccccc2c1C.CC7=O.C46=O.N45 |
26603 | CC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][C][O][Ring1][#C] | c16cc2c(cc14)OCO2.c15cccs1.CC6=O.C35=O.N34 |
26607 | O=C(C1CC1)N1CCN(c2nc3ccccc3s2)CC1 | [O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C] | c15nc2ccccc2s1.N14CCN5CC1.O=C46.C16CC1 |
26608 | O=C(Nc1cccc(NC(=O)c2cnccn2)c1)c1ccccn1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15cccc6c1.c18cnccn1.c17ccccn1.O=C37.C48=O.N35.N46 |
26609 | Cc1cc(NC(=O)c2ccco2)ccc1-n1cnnn1 | [C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc4ccc16.c15ccco1.n16cnnn1.C35=O.N34 |
26610 | Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccccc12 | [C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][O][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | Cc1c6oc2ccccc12.c15ccc7cc1.n17cnnn1.C46=O.N45 |
26612 | Cc1nc(SC(C)C)c2c(C)c(C)sc2n1 | [C][C][=N][C][Branch1][#Branch1][S][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring1][#C] | Cc1nc4c2c(C)c(C)sc2n1.C3(C)C.S34 |
26615 | O=C(CSc1nnnn1-c1ccccc1F)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][C][C][Ring1][=Branch1] | c14ccccc1F.c15nnnn14.N12CCCCC1.O=C2C3.S35 |
26616 | O=C(CSc1nnnn1-c1ccccc1F)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc1F.c15nnnn14.N12CCOCC1.O=C2C3.S35 |
26617 | O=C(CSc1nnnn1-c1ccccc1F)NCc1ccco1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc1F.c17nnnn16.c15ccco1.O=C2C4.S47.N23.C35 |
26619 | Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2F)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][Ring2][Ring1][=Branch1] | c16ccccc1F.Cc1cc5no1.c17nnnn16.C3(=O)C4.N35.S47 |
26620 | Cc1cccc(NC(=O)CSc2nnnn2-c2ccccc2F)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][#Branch1] | Cc1cccc5n1.c16ccccc1F.c17nnnn16.C3(=O)C4.N35.S47 |
26621 | CCOc1ccc(-c2nnn(CC#N)n2)cc1OC | [C][C][O][C][=C][C][=C][Branch1][=N][C][N][=N][N][Branch1][Ring2][C][C][#N][N][=Ring1][Branch2][C][=C][Ring1][=C][O][C] | c14ccc7cc15.c17nnn6n1.C6C#N.CC3.O34.O5C |
26624 | CCOc1ccc(NC(=O)c2ccc3nccnc3c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc2nccnc2c1.c16ccc7cc1.C48=O.CC5.O56.N47 |
26628 | CCOc1ccccc1NC(=O)c1ccc2nccnc2c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c17ccc2nccnc2c1.c15ccccc16.C37=O.CC4.O45.N36 |
26629 | Cc1cccc(NC(=O)c2ccc3nccnc3c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c16ccc2nccnc2c1.Cc1cccc5c1.C46=O.N45 |
26630 | O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc2nccnc2c1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c14nnc6s1.c17ccccc1.O=C35.N34.C67 |
26636 | O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NC1CCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][S][C][=N][N][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][O][Ring1][=C][N][C][C][C][C][C][Ring1][Branch1] | c18c[nH]c2ccccc12.c17nnc8o1.C16CCCC1.O=C4C5.S57.N46 |
26637 | NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][O][Ring1][=C] | c16c[nH]c2ccccc12.c15nnc6o1.NC(=O)C4.S45 |
26638 | O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][S][C][=N][N][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][O][Ring1][=C][N][C][C][C][C][Ring1][Branch1] | c17c[nH]c2ccccc12.c16nnc7o1.N14CCCC1.O=C4C5.S56 |
26639 | COc1ccc(NC(=O)CSc2ccccc2NC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Branch1] | c15ccc7cc1.c19ccccc18.C3(=O)C6.C4(C)=O.CO5.N37.S69.N48 |
26640 | CCOC(=O)Nc1nnc(-c2ccccc2F)s1 | [C][C][O][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c17ccccc1F.c16nnc7s1.C34=O.CC5.O35.N46 |
26641 | COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-n1cnnn1 | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][N][C][=N][N][=N][Ring1][Branch1] | c13cc(S4(=O)=O)ccc15.N14CCCCCC1.n15cnnn1.CO3 |
26645 | Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5cc1.c17ccccc1N.n16nnc7n1.C4(=O)C6.N45 |
26646 | Nc1ccccc1-c1nnn(CC(=O)NC2CCCC2)n1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][=Ring1][=C] | Nc1ccccc16.c16nnn5n1.C14CCCC1.C5C3=O.N34 |
26647 | Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cccc4c1.n14c5nnc16.c16ccccc1.C3C(N)=O.S35 |
26648 | CCc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc5cc1.n15c6nnc17.c17ccccc1.C3C(N)=O.CC4.S36 |
26649 | Cc1ccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc4c(C)c1.n14c5nnc16.c16cccnc1.C3C(N)=O.S35 |
26650 | CC(C)Cn1c(SCC(N)=O)nc2ccccc2c1=O | [C][C][Branch1][C][C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | n14c5nc2ccccc2c1=O.CC(C)C4.C3C(N)=O.S35 |
26651 | NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15nc2ccccc2c(=O)n14.c14ccc(F)cc1.NC(=O)C3.S35 |
26653 | CC1(C)CC(=O)c2sc(NC(=O)c3cnccn3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][=Ring1][=C][C][Ring2][Ring1][Ring2] | CC1(C)CC(=O)c2sc5nc2C1.c16cnccn1.C46=O.N45 |
26654 | Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)(C)C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S5(=O)=O)cc1.N15CCCC6C1.C4(C)(C)C.C36=O.N34 |
26655 | Cc1cc2ccccc2n2c(SCC(=O)N3CCCCC3)nnc12 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring2][Ring1][#Branch1][Ring1][#C] | Cc1cc2ccccc2n2c6nnc12.N14CCCCC1.C5C4=O.S56 |
26656 | Cc1cc2ccccc2n2c(SCC(=O)N3CCCC3)nnc12 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring2][Ring1][=Branch1][Ring1][=C] | Cc1cc2ccccc2n2c6nnc12.N14CCCC1.C5C4=O.S56 |
26657 | CNC(=O)CSc1nnc2c(C)cc3ccccc3n12 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=C][Ring1][O] | c16nnc2c(C)cc3ccccc3n12.C4(=O)C5.CN4.S56 |
26658 | Cc1cc2ccccc2n2c(SCC(=O)NC(C)(C)C)nnc12 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring2][Ring1][=Branch1][Ring1][=C] | Cc1cc2ccccc2n2c6nnc12.C5C3=O.C4(C)(C)C.S56.N34 |
26659 | Cc1cc2cc(C)c3nnc(SCC(N)=O)n3c2cc1C | [C][C][=C][C][C][=C][Branch1][C][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][C] | Cc1cc2cc(C)c3nnc5n3c2cc1C.C4C(N)=O.S45 |
26660 | CNC(=O)CSc1nnc2c(C)cc3cc(C)c(C)cc3n12 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][Branch1][C][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][Ring1][S][Ring1][=N] | c16nnc2c(C)cc3cc(C)c(C)cc3n12.C4(=O)C5.CN4.S56 |
26662 | CNC(=O)CSc1nc(C)nc2sc3c(c12)CCCC3 | [C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c16nc(C)nc2sc3c(c12)CCCC3.C4(=O)C5.CN4.S56 |
26663 | CCOC(=O)CSc1nnc2c(C)cc3ccccc3n12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=C][Ring1][O] | c17nnc2c(C)cc3ccccc3n12.C4(=O)C6.CC5.O45.S67 |
26664 | COC(=O)CSc1nnc2c(C)cc3ccccc3n12 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=C][Ring1][O] | c16nnc2c(C)cc3ccccc3n12.C4(=O)C5.CO4.S56 |
26666 | COc1ccc(CNC(=O)Cn2nnc(-c3ccncc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.n17nnc9n1.c19ccncc1.C4(=O)C7.CO5.C68.N46 |
26667 | Fc1ccccc1Cn1nnc(-c2ccncc2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O] | Fc1ccccc14.n13nnc5n1.c15ccncc1.C34 |
26668 | Cc1ccc(-c2nnn(CC(=O)c3c[nH]c4ccccc34)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][N][=N][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c15c[nH]c2ccccc12.Cc1ccc7cc1.c17nnn6n1.C6C5=O |
26669 | O=C(Cn1nnc(-c2ccncc2)n1)NCCc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nnc7n1.c17ccncc1.c16ccccc1.O=C3C5.C4C6.N34 |
26670 | O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.n15nnc7n1.c17ccccc1.O=C3C5.N34.C46 |
26671 | O=C(Cn1nnc(-c2cccs2)n1)NCc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.n15nnc7n1.c17cccs1.O=C3C5.N34.C46 |
26672 | CCOc1ccc(-c2nnn(CC(=O)N3CCCCCC3)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.N14CCCCCC1.c18nnn7n1.C7C4=O.CC5.O56 |
26673 | CN(C)c1ccc(-c2nnn(CC(=O)N3CCCCCC3)n2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ccc7cc1.N14CCCCCC1.c17nnn6n1.C6C4=O.CN5C |
26674 | O=C(Cn1nnc(-c2cccs2)n1)N1CCCCCC1 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1] | N13CCCCCC1.n14nnc5n1.c15cccs1.O=C3C4 |
26675 | O=C(Cn1nnc(-c2cccs2)n1)NCc1cccs1 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1] | n15nnc7n1.c17cccs1.c16cccs1.O=C3C5.N34.C46 |
26676 | O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.n15nnc7n1.c17ccccc1.O=C3C5.N34.C46 |
26677 | COc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][=N][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c15ccc9cc1.c18ccc(F)cc1.c19nnn7n1.C7C4=O.CO5.N46.C68 |
26678 | O=C(Cn1nnc(-c2cccs2)n1)NCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.n15nnc7n1.c17cccs1.O=C3C5.N34.C46 |
26679 | CCC(C)NC(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring1][#C] | c18ccc4c5c1.n17nnc8n1.CCC6C.C3(=O)C7.N36.O4C.O5C |
26680 | CCC(C)(C)NC(=O)Cn1nnc(-c2ccc(OC)cc2)n1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][=N] | c17ccc4cc1.n16nnc7n1.CCC5(C)C.C3(=O)C6.N35.O4C |
26681 | CCC(C)(C)NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][Ring1][=C] | c17ccc5cc1.n16nnc7n1.CCC4(C)C.C3(=O)C6.N5(C)C.N34 |
26682 | CCC(C)(C)NC(=O)Cn1nnc(-c2cccs2)n1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | n15nnc6n1.CCC4(C)C.c16cccs1.C3(=O)C5.N34 |
26683 | O=C(Cn1nnc(-c2ccncc2)n1)Nc1ccccc1F | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc1F.n15nnc6n1.c16ccncc1.O=C3C5.N34 |
26684 | COc1ccc(Cc2nnc(SCC(N)=O)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][O][Ring1][#Branch2][C][=C][Ring1][P] | c13ccc6cc1.c15nnc7o1.C4C(N)=O.CO3.C56.S47 |
26685 | COc1ccc(Cc2nnc(SCC(=O)N3CCCC3)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.c17nnc9o1.N14CCCC1.C6C4=O.CO5.C78.S69 |
26686 | CCn1cc(C(=O)NC2CC2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][C] | n16cc5c(=O)c2ccc(C)nc21.C35=O.C14CC1.CC6.N34 |
26687 | CCn1cc(C(=O)NCc2cccnc2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | n16cc5c(=O)c2ccc(C)nc21.c17cccnc1.C35=O.CC6.N34.C47 |
26688 | CCn1cc(C(=O)Nc2ccccc2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch1] | n16cc5c(=O)c2ccc(C)nc21.c14ccccc1.C35=O.CC6.N34 |
26689 | CCn1cc(C(=O)NCc2ccco2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch1] | n16cc5c(=O)c2ccc(C)nc21.c17ccco1.C35=O.CC6.N34.C47 |
26690 | CCn1cc(C(=O)Nc2ccccc2F)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | n16cc5c(=O)c2ccc(C)nc21.c14ccccc1F.C35=O.CC6.N34 |
26691 | CCn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | n16cc5c(=O)c2ccc(C)nc21.c14cccc(F)c1.C35=O.CC6.N34 |
26692 | CCn1cc(C(=O)Nc2ccc(C)cc2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | n16cc5c(=O)c2ccc(C)nc21.c14ccc(C)cc1.C35=O.CC6.N34 |
26693 | CCn1cc(C(=O)Nc2cccc(C)c2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | n16cc5c(=O)c2ccc(C)nc21.c14cccc(C)c1.C35=O.CC6.N34 |
26694 | CCn1cc(C(=O)Nc2cc(C)cc(C)c2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1] | n16cc5c(=O)c2ccc(C)nc21.c14cc(C)cc(C)c1.C35=O.CC6.N34 |
26695 | CCn1cc(C(=O)Nc2ccccc2Cl)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | n16cc5c(=O)c2ccc(C)nc21.c14ccccc1Cl.C35=O.CC6.N34 |
26697 | CCc1ccccc1NC(=O)c1cn(CC)c2nc(C)ccc2c1=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Ring1][=N][=O] | c15cn6c2nc(C)ccc2c1=O.c17ccccc14.C35=O.CC7.N34.C6C |
26698 | CCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1] | n16cc5c(=O)c2ccc(C)nc21.c14cccc(C)c1C.C35=O.CC6.N34 |
26700 | CCn1cc(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1] | n16cc5c(=O)c2ccc(C)nc21.c14cc(C)ccc1C.C35=O.CC6.N34 |
26701 | CCc1ccc(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1] | c16cn7c2nc(C)ccc2c1=O.c18ccc5cc1.C46=O.CC8.N45.C7C |
26702 | Cc1ccc(NC(=O)Cn2nnc(-c3ccncc3)n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5c(C)c1.n16nnc7n1.c17ccncc1.C4(=O)C6.N45 |
26703 | CCC(C)c1ccc(NC(=O)CSc2nncn2N)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N][C][=C][Ring1][P] | c16ccc5cc1.c17nncn1N.CCC6C.C3(=O)C4.N35.S47 |
26704 | Cc1ccc(NC(=O)CSc2nncn2N)cc1C | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c16nncn1N.C3(=O)C4.N35.S46 |
26705 | CCOc1ccc(NC(=O)CSc2nncn2N)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N][C][=C][Ring1][P] | c15ccc7cc1.c18nncn1N.C3(=O)C6.CC4.O45.N37.S68 |
26706 | COc1ccc(NC(=O)CSc2nncn2N)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N][C][=C][Ring1][P] | c14ccc6cc1.c17nncn1N.C3(=O)C5.CO4.N36.S57 |
26707 | COc1ccc(NC(=O)CSc2nncn2N)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N][C][=C][Ring1][P][O][C] | c14ccc7cc15.c18nncn1N.C3(=O)C6.CO4.N37.S68.O5C |
26708 | COc1cc(NC(=O)CSc2nncn2N)cc(OC)c1 | [C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c18nncn1N.C3(=O)C6.CO4.N37.S68.O5C |
26709 | CCOc1cccc(NC(=O)CSc2nncn2N)c1 | [C][C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N][=C][Ring1][P] | c15cccc7c1.c18nncn1N.C3(=O)C6.CC4.O45.N37.S68 |
26711 | CC1CCCCC1NC(=O)CSc1nncn1N | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N] | CC1CCCCC14.c15nncn1N.C2(=O)C3.N24.S35 |
26712 | Nn1cnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 | [N][N][C][=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] | Nn1cnnc16.C14CCCCC1.C15CCCCC1.C3C2=O.N245.S36 |
26713 | Nn1cnnc1SCC(=O)Nc1ccc2c(c1)OCO2 | [N][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.Nn1cnnc16.C4C3=O.S46.N35 |
26714 | Nn1cnnc1SCC(=O)Nc1ccc(F)cc1 | [N][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.Nn1cnnc15.C3C2=O.S35.N24 |
26715 | Nn1cnnc1SCC(=O)Nc1ccccc1F | [N][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc1F.Nn1cnnc15.C3C2=O.S35.N24 |
26716 | Nn1cnnc1SCC(=O)Nc1cccc(F)c1 | [N][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14cccc(F)c1.Nn1cnnc15.C3C2=O.S35.N24 |
26717 | c1ccc(CSc2nnnn2-c2ccc3c(c2)OCO3)nc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c1ccc5nc1.c17nnnn16.C45.S47 |
26718 | NC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c15nnnn14.NC(=O)C3.S35 |
26719 | CC(C)OC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c17nnnn16.C3(=O)C5.CC4C.O34.S57 |
26720 | CNC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c16nnnn15.C3(=O)C4.CN3.S46 |
26721 | c1ccc(CSc2nnnn2-c2ccc3c(c2)OCCO3)nc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][=C][Ring2][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c1ccc5nc1.c17nnnn16.C45.S47 |
26723 | COC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Branch1][C][C][C] | c16nc2c(c(=O)n(C)c(=O)n2C)n15.C3(=O)C4.C5(C)C.CO3.S46 |
26724 | CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Branch1][C][C][C] | c17nc2c(c(=O)n(C)c(=O)n2C)n16.C3(=O)C5.C6(C)C.CC4.O34.S57 |
26725 | CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C | [C][C][Branch1][C][C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Branch1][C][C][C] | c15nc2c(c(=O)n(C)c(=O)n2C)n14.CC3C.C4(C)C.S35 |
26726 | COc1cccc(-n2nnnc2SCC(=O)N2CCCCC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c14cccc6c1.n16nnnc17.N13CCCCC1.C5C3=O.CO4.S57 |
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