ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1932563 | CC(CO)(CO)NC(=O)c1cc(F)cc2cccnc12 | [C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15cc(F)cc2cccnc12.CC4(CO)CO.C35=O.N34 |
1932564 | CC(=Cc1ccc(Oc2cnccn2)cc1)c1cnccn1 | [C][C][=Branch2][Ring1][Branch1][=C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][N][=C][C][=N][Ring1][=Branch1] | CC=5c1cnccn1.C=5c1ccc4cc1.c13cnccn1.O34 |
1932566 | CCS(=O)(=O)N(C)Cc1nc(-c2c(F)cccc2F)cs1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][S][Ring1][=N] | c16c(F)cccc1F.c15nc6cs1.CCS4(=O)=O.N34C.C35 |
1932567 | Cc1nnc(-c2ccccc2-c2nc(-c3ccccn3)no2)o1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][O][Ring2][Ring1][=Branch1] | c15ccccc16.Cc1nnc5o1.c16nc4no1.c14ccccn1 |
1932568 | CC(C)C(=O)N1CCC(C(=O)OCc2cccnc2)CC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S] | N14CCC6CC1.c17cccnc1.CC(C)C4=O.C36=O.O35.C57 |
1932569 | CCS(=O)(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][NH1][N][=C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Ring1][O][C] | c14[nH]nc5c1C.c15ccc(C)o1.CCS3(=O)=O.N34 |
1932570 | CCCc1nc(CNC(c2ccccc2)c2ccccn2)cs1 | [C][C][C][C][=N][C][Branch2][Ring1][=Branch1][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring2][Ring1][Ring2] | c15nc6cs1.c18ccccc1.c17ccccn1.CCC5.C478.C36.N34 |
1932571 | CS(=O)(=O)N=c1cc(CCc2ccccc2)cc[nH]1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][NH1][Ring1][=C] | CS(=O)(=O)N=c1cc3cc[nH]1.c14ccccc1.C3C4 |
1932572 | Fc1cccc(F)c1-c1csc(COCc2ncc[nH]2)n1 | [F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][S][C][Branch1][O][C][O][C][C][=N][C][=C][NH1][Ring1][Branch1][=N][Ring1][=N] | Fc1cccc(F)c17.c17csc5n1.c16ncc[nH]1.C35.O34.C46 |
1932573 | Cc1ncccc1CNc1ccc(N2CCNC2=O)cc1 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][C][=C][Ring1][N] | Cc1ncccc15.c14ccc6cc1.N16CCNC1=O.C35.N34 |
1932574 | Cc1ccccc1-c1noc(=O)n1CCOC(=O)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1ccccc16.c16noc(=O)n15.C5C4.C23=O.N3(C)C.O24 |
1932575 | CC(C)C(=O)N1CCC(C(=O)N2CCSc3ccccc32)CC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][C] | N15CCSc2ccccc21.N14CCC6CC1.CC(C)C4=O.C56=O |
1932576 | Cc1ccc2nc(C(=O)NCc3csc(N4CCCC4)n3)cn2c1 | [C][C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][=C][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] | Cc1ccc2nc8cn2c1.c19csc7n1.N17CCCC1.C58=O.N56.C69 |
1932577 | COc1c[nH]c(C(=O)NCc2csc3c2CCCC3)cc1=O | [C][O][C][=C][NH1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][=C][C][Ring2][Ring1][Ring1][=O] | c18csc2c1CCCC2.c15c[nH]c7cc1=O.C47=O.CO5.N46.C68 |
1932578 | Cc1ccc2cccc(NC(=O)NCCCNC(=O)C3CCC3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][Branch2] | Cc1ccc2cccc9c2n1.C7CC8.C1%10CCC1.C45=O.C6%10=O.N49.N57.N68 |
1932579 | CC(C)Cc1cc(C(=O)NCc2cn3c(n2)SCC3)[nH]n1 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][C][Ring1][=Branch1][NH1][N][=Ring1][P] | c18cn2c(n1)SCC2.c17cc6[nH]n1.CC(C)C7.C46=O.N45.C58 |
1932580 | Cn1ccc(NC(=O)Nc2cc(F)ccc2-n2cccn2)n1 | [C][N][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=N][Ring1][Branch1][=N][Ring2][Ring1][Branch1] | c16cc(F)ccc17.Cn1ccc5n1.n17cccn1.C34=O.N35.N46 |
1932581 | O=C(Nc1cc(F)c(F)cc1F)NC(CO)Cc1ccccc1 | [O][=C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc(F)c(F)cc1F.c16ccccc1.C4(C6)CO.O=C23.N25.N34 |
1932582 | N#Cc1cc(F)ccc1NC(=O)NC(CO)Cc1ccccc1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1cc(F)ccc15.c16ccccc1.C4(C6)CO.C23=O.N25.N34 |
1932583 | O=C(c1cncc(-c2ccc(F)cc2C(F)(F)F)n1)N1CCCC1 | [O][=C][Branch2][Ring1][#C][C][=C][N][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][P][N][C][C][C][C][Ring1][Branch1] | c16ccc(F)cc15.c14cncc6n1.N13CCCC1.C5(F)(F)F.O=C34 |
1932584 | N#CC1(c2ccccc2)CCN(C(=O)C2CC23CC3)CC1 | [N][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Ring1] | N#CC16CCN4CC1.c16ccccc1.C15CC12CC2.C45=O |
1932585 | CCCN(CC1CCCCO1)C(=O)Nc1cnc(CC)nc1 | [C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][Ring1][C][C][N][=C][Ring1][Branch2] | c16cnc8nc1.C17CCCCO1.CCC4.N245.C23=O.C57.N36.C8C |
1932586 | COC(=O)CCN1CCN(Cc2cn(C)nc2C)C(C)C1 | [C][O][C][=Branch1][C][=O][C][C][N][C][C][N][Branch1][=N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][Branch1][C][C][C][Ring1][#C] | N14CCN5C(C)C1.c16cn(C)nc1C.C3(=O)CC4.CO3.C56 |
1932587 | Cc1cccc(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][C][C][Ring1][#C][=N][Ring2][Ring1][Branch2] | c18ccc2c(c1)OCCO2.Cc1cccc7n1.C168CCCC1.C57=O.N56 |
1932588 | O=C(NCCn1cccn1)NC(c1c(F)cccc1F)C(F)(F)F | [O][=C][Branch1][O][N][C][C][N][C][=C][C][=N][Ring1][Branch1][N][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Branch1][C][F][Branch1][C][F][F] | c17c(F)cccc1F.C57C(F)(F)F.n16cccn1.O=C23.C4C6.N24.N35 |
1932589 | Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCNC(=O)c1ccco1 | [C][C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1nc8[nH]c(=O)c17.c16ccco1.C8(C)(C)C.C27=O.C4C5.C36=O.N24.N35 |
1932590 | O=C(NCCc1nnc2n1CCCC2)c1ccc(Cl)cn1 | [O][=C][Branch1][P][N][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c16nnc2n1CCCC2.c15ccc(Cl)cn1.O=C35.C4C6.N34 |
1932591 | CC1(C)CCN(C(=O)Nc2ccnn2C(C)(C)C)C1 | [C][C][Branch1][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][C] | CC1(C)CCN3C1.c15ccnn16.C6(C)(C)C.C34=O.N45 |
1932593 | Cn1ncc(C(=O)OCc2nc(N)nc(N)n2)c1-n1cccc1 | [C][N][N][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][Ring1][Branch2][=C][Ring1][P][N][C][=C][C][=C][Ring1][Branch1] | c16nc(N)nc(N)n1.Cn1ncc5c17.n17cccc1.C35=O.O34.C46 |
1932594 | O=C(c1cc(=O)[nH]c2ccccc12)N1CCCC1c1ccncc1 | [O][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14cc(=O)[nH]c2ccccc12.N13CCCC15.c15ccncc1.O=C34 |
1932595 | Cc1cccc(N(C)S(=O)(=O)Cc2ccccc2F)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Ring1] | Cc1cccc4n1.c15ccccc1F.S3(=O)(=O)C5.N34C |
1932596 | COC(=O)c1cc(CSc2cccc(OC)c2)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][S][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=Ring1][#C][C] | c16cc7oc1C.c18cccc4c1.C36=O.CO3.C57.S58.O4C |
1932597 | COc1ccc(C=Cc2nc(C3CCOCC3)no2)cc1O | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1][O] | c14ccc(C=5)cc1O.C=5c1nc6no1.C16CCOCC1.CO4 |
1932598 | Cc1nc(-c2cccc(NC(=O)c3cc(N(C)C)ccn3)c2)no1 | [C][C][=N][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=N][Ring1][=Branch2][=C][Ring2][Ring1][C][=N][O][Ring2][Ring1][#Branch1] | c18cccc5c1.c17cc6ccn1.Cc1nc8no1.C47=O.N6(C)C.N45 |
1932601 | O=C(NCC1(c2ccccc2F)CC1)c1cc(O)cc(O)c1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#Branch2][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2] | c15cc(O)cc(O)c1.c17ccccc1F.C167CC1.O=C35.N34.C46 |
1932602 | CC(C)NC(=O)CN1CCN(C(C)c2cccc(F)c2F)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][P][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][C][Ring1][S] | c17cccc(F)c1F.N15CCN6CC1.C3(=O)C5.CC4C.C67C.N34 |
1932603 | CCCCc1noc(CSc2nnc(C(C)(C)C)n2N)n1 | [C][C][C][C][C][=N][O][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=Branch2][N][=N][Ring1][P] | c17nnc6n1N.c14noc5n1.CCCC4.C6(C)(C)C.C35.S37 |
1932604 | Cc1cc(CNc2cc(C(=O)N(C)C)ccn2)ccc1-n1cncn1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=N][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][N][C][=N][C][=N][Ring1][Branch1] | Cc1cc7ccc18.c15cc6ccn1.n18cncn1.C36=O.N3(C)C.C47.N45 |
1932605 | CC(C)c1cnc(CNc2cc(C(=O)N(C)C)ccn2)s1 | [C][C][Branch1][C][C][C][=C][N][=C][Branch2][Ring1][=Branch1][C][N][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=N][Ring1][O][S][Ring2][Ring1][C] | c15cc6ccn1.c17cnc8s1.CC7C.C36=O.N3(C)C.C48.N45 |
1932606 | CCOC(=O)c1nnc(C=Cc2ccc(-n3cncn3)c(C)c2)s1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][N][S][Ring2][Ring1][Ring1] | C=7c1ccc8c(C)c1.c16nnc(C=7)s1.n18cncn1.C46=O.CC5.O45 |
1932607 | CCc1cccc(S(=O)(=O)NCc2nnc(C)n2C2CC2)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Ring2] | c16cccc(S4(=O)=O)c1.c15nnc(C)n17.C17CC1.CC6.N34.C35 |
1932608 | Cc1c(F)cccc1S(=O)(=O)NCc1nnc(C)n1C1CC1 | [C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][C][Ring1][Ring1] | Cc1c(F)cccc1S3(=O)=O.c14nnc(C)n15.C15CC1.N23.C24 |
1932609 | CC(C)C(O)Cc1nc(COc2ccc(F)cc2)no1 | [C][C][Branch1][C][C][C][Branch1][C][O][C][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring1][=C] | c14ccc(F)cc1.CC(C)C(O)C5.c15nc6no1.C36.O34 |
1932610 | CCOCCN1CCN(C(=O)Nc2cccc(C)n2)CC1CC | [C][C][O][C][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][S][C][C] | N17CCN3CC19.c18cccc(C)n1.C6C7.C34=O.CC5.O56.N48.C9C |
1932611 | Cc1cncc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1 | [C][C][=C][N][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][C][=Branch1][C][=O][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c15cc2c(cc1F)NC(=O)CC2.Cc1cncc6c1.C46=O.N45 |
1932612 | Cn1cc(CCOC(=O)c2cnc(C(F)(F)F)nc2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][Ring2] | c15cnc6nc1.Cn1cc7cn1.C6(F)(F)F.C7C4.C35=O.O34 |
1932613 | Cc1[nH]c(=O)c(C(=O)N2CCn3cnnc3C2)cc1Br | [C][C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][=N][N][=C][Ring1][Branch1][C][Ring1][=Branch2][=C][C][=Ring2][Ring1][C][Br] | Cc1[nH]c(=O)c5cc1Br.N14CCn2cnnc2C1.C45=O |
1932614 | Cc1csc(CNC(=O)Nc2ccnn2Cc2ccccc2F)n1 | [C][C][=C][S][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][#Branch1] | c19ccccc1F.Cc1csc8n1.c16ccnn17.C34=O.C58.N35.N46.C79 |
1932615 | Cc1noc(C)c1CNC(=O)Nc1ccnn1Cc1ccccc1F | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1noc(C)c17.c18ccccc1F.c15ccnn16.C23=O.C47.N24.N35.C68 |
1932616 | CC(NC(=O)Nc1ccnn1Cc1ccccc1F)c1nccs1 | [C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][S][Ring1][Branch1] | c18ccccc1F.c15ccnn16.c17nccs1.CC47.C23=O.N24.N35.C68 |
1932618 | Cn1cc(C2CN(C(=O)CCCn3cccc3)CCO2)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][N][C][=C][C][=C][Ring1][Branch1][C][C][O][Ring1][S][C][=N][Ring2][Ring1][Branch1] | C16CN4CCO1.Cn1cc6cn1.C4(=O)CCC5.n15cccc1 |
1932619 | Cc1csc(C2COCCN2c2c(C#N)c(=O)n(C)c(=O)n2C)n1 | [C][C][=C][S][C][Branch2][Ring1][#C][C][C][O][C][C][N][Ring1][=Branch1][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][O][C][=N][Ring2][Ring1][#Branch1] | c13c(C#N)c(=O)n(C)c(=O)n1C.C14COCCN13.Cc1csc4n1 |
1932620 | Cc1csc(C2COCCN2C(=O)Nc2ccncc2)n1 | [C][C][=C][S][C][Branch2][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | C16COCCN13.Cc1csc6n1.c15ccncc1.C34=O.N45 |
1932621 | CCC(NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1nccs1 | [C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][=N][C][=C][S][Ring1][Branch1] | N14CCCN5CC1.c18nccs1.CCC68.C34=O.C57=O.C17CC1.N36 |
1932625 | CCc1cnc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)s1 | [C][C][C][=C][N][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N][S][Ring2][Ring1][Branch1] | N15CCCN6CC1.c19cnc%10s1.C45=O.C68=O.C18CC1.CC9.C7%10.N47 |
1932626 | Cc1nc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)sc1C | [C][C][N][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N][S][C][=Ring2][Ring1][Branch1][C] | N15CCCN6CC1.Cc1nc9sc1C.C45=O.C68=O.C18CC1.C79.N47 |
1932628 | CCNC(=O)CNc1ccc2c(Cl)ccnc2c1F | [C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=N][C][Ring1][#Branch1][=C][Ring1][O][F] | c16ccc2c(Cl)ccnc2c1F.C3(=O)C5.CC4.N34.N56 |
1932630 | CS(=O)(=O)NC1CCCN(c2ccc3ccc(F)cc3n2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][C][C][=C][C][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=N][Ring1][O][C][Ring1][P] | c15ccc2ccc(F)cc2n1.C16CCCN5C1.CS4(=O)=O.N46 |
1932631 | CS(=O)(=O)NC1CCCN(c2cc(C#N)c3ccccc3n2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][N][C][Ring2][Ring1][C] | c15cc(C#N)c2ccccc2n1.C16CCCN5C1.CS4(=O)=O.N46 |
1932632 | CS(=O)(=O)NC1CCCN(c2ccc3cc(C#N)ccc3n2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][C][Ring1][Branch2][=N][Ring1][N][C][Ring2][Ring1][C] | c15ccc2cc(C#N)ccc2n1.C16CCCN5C1.CS4(=O)=O.N46 |
1932633 | CCN(Cc1ccc(OC)c(OC)c1)c1ncns1 | [C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=N][C][=N][S][Ring1][Branch1] | c17ccc2c3c1.c16ncns1.N456.CC4.C57.O2C.O3C |
1932634 | OCC(O)CNc1ccc2ccc(Cl)c(Cl)c2n1 | [O][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][Branch2][=N][Ring1][N] | c14ccc2ccc(Cl)c(Cl)c2n1.OCC(O)C3.N34 |
1932635 | OCC(O)CNc1nc(-c2ccc(F)cc2)cs1 | [O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N] | c15ccc(F)cc1.c14nc5cs1.OCC(O)C3.N34 |
1932636 | O=C1CC(NC(=O)Nc2cccc(Br)c2)CN1 | [O][=C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][N][Ring1][S] | c15cccc(Br)c1.O=C1CC6CN1.C34=O.N36.N45 |
1932637 | O=C(NC1C2Cc3ccccc3C21)N1CCCN(C(=O)C2CC2)CC1 | [O][=C][Branch2][Ring1][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Ring1][#Branch2][N][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N] | C17C2Cc3ccccc3C12.N15CCCN6CC1.O=C45.C68=O.C18CC1.N47 |
1932638 | N#CC(C(=O)c1noc2c1CCCCC2)c1ccccn1 | [N][#C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13noc2c1CCCCC2.N#CC4C3=O.c14ccccn1 |
1932639 | Cc1cc(C)c(-c2cc(NC(=O)Cn3cn[nH]c3=O)[nH]n2)cc1C | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][=N][NH1][C][Ring1][Branch1][=O][NH1][N][=Ring1][#C][C][=C][Ring2][Ring1][=Branch1][C] | Cc1cc(C)c7cc1C.c17cc5[nH]n1.n16cn[nH]c1=O.C4(=O)C6.N45 |
1932640 | Cc1cc(Br)c(NC(=O)N(CCO)C2CC2)cc1Cl | [C][C][=C][C][Branch1][C][Br][=C][Branch1][P][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][Ring1][Ring1][C][=C][Ring1][P][Cl] | Cc1cc(Br)c6cc1Cl.C34=O.N457.C5CO.C17CC1.N36 |
1932641 | COc1ccc2cc(NC(=O)Nc3c(C)noc3C3CC3)ccc2n1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1] | c16ccc2cc7ccc2n1.c18c(C)noc19.C45=O.C19CC1.CO6.N47.N58 |
1932642 | Cc1cc(C)n(CCOC(=O)Cc2cncs2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch1][S][C][C][O][C][=Branch1][C][=O][C][C][=C][N][=C][S][Ring1][Branch1][N][=Ring1][P] | Cc1cc(C)n5n1.c16cncs1.C3(=O)C6.C5C4.O34 |
1932643 | CCc1c(C)nc2ccccc2c1NC(=O)c1ccc(=O)n(C)c1 | [C][C][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2] | c16c(C)nc2ccccc2c14.c15ccc(=O)n(C)c1.C35=O.CC6.N34 |
1932644 | Cn1cccc1C1COCCN1Cc1nnc(C2CC2)n1C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][C][Ring1][Ring1] | C16COCCN13.c14nnc7n15.Cn1cccc16.C17CC1.C15CC1.C34 |
1932645 | Cc1nnc(CNC2CCCC2c2ccccc2C(F)(F)F)o1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][=Branch1] | c17ccccc16.Cc1nnc5o1.C14CCCC17.C6(F)(F)F.C35.N34 |
1932646 | COCCn1ccc(NC(=O)Nc2cc(F)ccc2-n2cccn2)n1 | [C][O][C][C][N][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=N][Ring1][Branch1][=N][Ring2][Ring1][Branch1] | c17cc(F)ccc19.n18ccc6n1.n19cccn1.C5C8.C34=O.CO5.N36.N47 |
1932647 | CC(=O)Nc1ccc(F)c(NC(=O)N(C2CC2)C(C)C(C)C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1] | c17ccc(F)c8c1.C6(C)C(C)C.CC3=O.C45=O.N569.C19CC1.N37.N48 |
1932648 | Cc1cc(NC(=O)N(C2CC2)C(C)C(C)C)ccc1S(C)(=O)=O | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cc6ccc1S(C)(=O)=O.C5(C)C(C)C.C34=O.N457.C17CC1.N36 |
1932649 | N#CC1(c2ccccc2)CC(Nc2ccc(OCCO)nc2)C1 | [N][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][S][N][C][=C][C][=C][Branch1][Branch1][O][C][C][O][N][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1] | N#CC17CC6C1.c15ccc4nc1.c17ccccc1.C3CO.N56.O34 |
1932650 | Cn1ncnc1COc1ccccc1-c1nccs1 | [C][N][N][=C][N][=C][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][S][Ring1][Branch1] | c13ccccc15.Cn1ncnc14.c15nccs1.C24.O23 |
1932652 | CN1CCc2c(cccc2NC(=O)c2cccc3nn[nH]c23)C1 | [C][N][C][C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][N][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][Ring2][Ring1][=Branch1] | CN1CCc2c5cccc2C1.c16cccc2nn[nH]c12.C46=O.N45 |
1932654 | C#CCCOc1ccc(CNc2ncccn2)cc1 | [C][#C][C][C][O][C][=C][C][=C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C] | c14ccc7cc1.c16ncccn1.C#CCC3.O34.C57.N56 |
1932655 | Fc1ccc(Oc2ccc(CNc3ncncc3Cl)cn2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=C][C][=C][Branch1][N][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][Cl][C][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | Fc1ccc5cc1.c14ccc8cn1.c17ncncc1Cl.O45.C68.N67 |
1932656 | O=C(Nc1ccc2c(c1)COC2)NC1CCc2ncnn2C1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][N][C][C][C][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][=Branch2] | c15ccc2c(c1)COC2.C16CCc2ncnn2C1.O=C34.N35.N46 |
1932657 | O=C(Nc1cc(-c2ccccc2)on1)NC1CCc2ncnn2C1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][N][C][C][C][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][=Branch2] | C16CCc2ncnn2C1.c15cc7on1.c17ccccc1.O=C34.N35.N46 |
1932658 | CCc1nc(NC(=O)c2cc(N3CCOCC3)ccn2)sc1C | [C][C][C][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=N][Ring1][N][S][C][=Ring2][Ring1][Ring2][C] | c18nc5sc1C.c17cc6ccn1.N16CCOCC1.C47=O.CC8.N45 |
1932660 | CCn1cc(CNc2ccc(-n3cc(CO)nn3)cc2)cn1 | [C][C][N][C][=C][Branch2][Ring1][Branch2][C][N][C][=C][C][=C][Branch1][N][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1][C][=C][Ring1][=N][C][=N][Ring2][Ring1][Ring2] | c15ccc9cc1.n16cc8cn1.n19cc7nn1.CC6.C48.N45.C7O |
1932661 | Cc1cc(OC(F)F)c(C(=O)Nc2cnns2)s1 | [C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=C][N][=N][S][Ring1][Branch1][S][Ring1][P] | Cc1cc4c6s1.c15cnns1.O4C(F)F.C36=O.N35 |
1932662 | COc1cc(C(=O)NCc2nc(C)sc2C)cc(Cl)c1O | [C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][C][O] | c14cc6cc(Cl)c1O.c17nc(C)sc1C.C36=O.CO4.N35.C57 |
1932663 | CCC1(C)Oc2ccc(NC(=O)c3cc[nH]c3)cc2O1 | [C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][=C][Ring1][=C][O][Ring2][Ring1][C] | C17(C)Oc2ccc5cc2O1.c16cc[nH]c1.C46=O.CC7.N45 |
1932664 | Nc1nc(N2CCCC2C(=O)NC2CC2)cc(-n2cccn2)n1 | [N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=N][Ring2][Ring1][=Branch1] | Nc1nc4cc7n1.N14CCCC16.n17cccn1.C36=O.C15CC1.N35 |
1932665 | O=C(NCc1ccco1)C1CCCN1c1ncccc1F | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][F] | c14ncccc1F.C15CCCN14.c16ccco1.O=C25.N23.C36 |
1932666 | Cc1nc(C#N)c(C#N)n1Cc1noc(C2CCCCC2)n1 | [C][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][N][Ring1][=Branch2][C][C][=N][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O] | Cc1nc(C#N)c(C#N)n13.c14noc5n1.C15CCCCC1.C34 |
1932667 | NS(=O)(=O)c1cccnc1NCc1cc(-c2ccccc2)on1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | NS(=O)(=O)c1cccnc14.c15cc6on1.c16ccccc1.N34.C35 |
1932668 | CNS(=O)(=O)c1ccc(NCc2cc(-c3ccccc3)on2)nc1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][N][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1ccc6nc1.c17cc8on1.c18ccccc1.CN5.N46.C47 |
1932670 | c1ccc(-c2cc(CNc3nnc(-c4ccccn4)s3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c1ccc9cc1.c19cc7no1.c16nnc8s1.c18ccccn1.C57.N56 |
1932671 | Fc1cccnc1NCc1cc(-c2ccccc2)on1 | [F][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | Fc1cccnc14.c15cc6on1.c16ccccc1.N34.C35 |
1932672 | CCc1nc(CNc2ncccc2Cl)cs1 | [C][C][C][=N][C][Branch1][N][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][=C][S][Ring1][=C] | c14ncccc1Cl.c15nc6cs1.CC5.C36.N34 |
1932673 | COc1ccccc1CN(CCO)c1ncns1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][Ring2][C][C][O][C][=N][C][=N][S][Ring1][Branch1] | c12ccccc16.c15ncns1.N345.C4CO.CO2.C36 |
1932674 | Cc1nccn1-c1cncc(NC(C)C(O)c2ccc(F)cc2)n1 | [C][C][=N][C][=C][N][Ring1][Branch1][C][=C][N][=C][C][Branch2][Ring1][Branch1][N][C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | c16cncc4n1.c15ccc(F)cc1.Cc1nccn16.C3(C)C5O.N34 |
1932675 | Cc1cccc(NC(=O)CN(C)c2ncccc2F)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Ring1] | Cc1cccc5n1.c16ncccc1F.C3(=O)C4.N46C.N35 |
1932676 | CC(C)Oc1cc(CNc2ncccc2F)ccn1 | [C][C][Branch1][C][C][O][C][=C][C][Branch1][N][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=N][Ring1][#C] | c14cc7ccn1.c16ncccc1F.CC3C.O34.C57.N56 |
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