ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
32486 | CCC(Oc1ccccc1)C(=O)Nc1cccnc1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | CCC3C2=O.c14ccccc1.c15cccnc1.O34.N25 |
32489 | Cc1ccc(NC(=O)C2CC2)c(NC(=O)C2CC2)c1 | [C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][C] | Cc1ccc5c6c1.C37=O.C17CC1.C48=O.C18CC1.N35.N46 |
32490 | CCC1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 | [C][C][C][C][C][C][=C][Branch2][Ring1][=Branch2][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=N][C][Branch1][C][N][=O][C][Ring2][Ring1][Ring2] | C18CCc2c(sc5c27)C1.c16ccco1.C46=O.C7(N)=O.CC8.N45 |
32491 | Cc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)o1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S][O][Ring2][Ring1][Branch1] | c17cc6c2ccccc2n1.Cc1ccc7o1.C46=O.C15CC1.N45 |
32493 | COc1ccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c15cc7cc8c1.c14ccc6cc1.C36=O.C7(N)=O.C8(N)=O.CO4.N35 |
32494 | Cc1ccc(NS(C)(=O)=O)c(NS(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][S] | Cc1ccc4c5c1.S2(C)(=O)=O.S3(C)(=O)=O.N24.N35 |
32495 | Cc1cc(C)n(C(=O)c2ccc(C(=O)n3nc(C)cc3C)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][#C][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n(C4=O)n1.C5(=O)n1nc(C)cc1C.c14ccc5cc1 |
32496 | O=C(NCc1ccncc1)C(Sc1ccccc1)c1ccccc1 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccncc1.c17ccccc1.c16ccccc1.O=C2C46.N23.C35.S47 |
32497 | CCSc1nnc(NC(=O)CSc2ccccc2)s1 | [C][C][S][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | c17nnc6s1.c18ccccc1.C3(=O)C5.CC4.S47.N36.S58 |
32498 | COc1ccc(C(=O)NCCC(C)C)cc1OC | [C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=C][Ring1][=C][O][C] | c13ccc6cc14.C5CC(C)C.C26=O.CO3.N25.O4C |
32499 | Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.N14CCN5CC1.c15ncccn1.C46=O |
32500 | O=C(Nc1cccc(NC(=O)C2CCCO2)n1)C1CCCO1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=N][Ring1][=C][C][C][C][C][O][Ring1][Branch1] | c15cccc6n1.C18CCCO1.C17CCCO1.O=C37.C48=O.N35.N46 |
32502 | COC(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][N][N][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][=C][Ring1][#C] | n15nc(C)c(Br)c1C.c14ccc6cc1.C34=O.CO3.C56 |
32503 | COC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][N][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=C][Ring1][#C] | n15nc(C)c(Cl)c1C.c14ccc6cc1.C34=O.CO3.C56 |
32504 | CC1CCc2c(sc(NC(=O)COc3ccccc3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][N][S][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][Branch1][C][N][=O][C][Ring2][Ring1][#Branch1] | CC1CCc2c(sc7c28)C1.c16ccccc1.C4(=O)C5.C8(N)=O.N47.O56 |
32505 | COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)N(C)C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][S][C] | c19c6sc7c1C.C39=O.C48=O.C18CC1.C57=O.N5(C)C.CO3.N46 |
32506 | Cc1sc(NC(=O)c2cccc3ccccc23)c(C(N)=O)c1C | [C][C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Branch1][C] | c16cccc2ccccc12.Cc1sc5c7c1C.C46=O.C7(N)=O.N45 |
32507 | O=C(Nc1ccc2c(c1)OCO2)C1CC1c1ccccc1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)OCO2.c16ccccc1.C15CC16.O=C35.N34 |
32508 | CCOC(=O)c1c(NC(=O)c2cc(C)nn2C)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][S][C][=C][Ring1][#C][C][C][C][C][Ring1][=Branch1] | c18c6sc2c1CCCC2.c17cc(C)nn1C.C38=O.C47=O.CC5.O35.N46 |
32511 | COc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)[nH]c2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][NH1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2nc8[nH]c2c1.c17c(C)cccc1C.C6C4=O.CO5.S68.N47 |
32512 | Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nn1C | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][N][Ring1][S][C] | c14ccc(Cl)c(Cl)c1.Cc1cc5nn1C.C35=O.N34 |
32514 | O=C(c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)N1CCCC1 | [O][=C][Branch2][Ring1][P][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c15cc6nc2ccccc12.c16ccc2c(c1)OCO2.N14CCCC1.O=C45 |
32516 | O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16cccc7c1.C7(F)(F)F.O=C35.N34.C46 |
32517 | Cc1occc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][C][C][Ring1][=N] | c16sc2c(c18)CCCC2.Cc1occc17.C47=O.C38=O.C5(C)C.N46.O35 |
32518 | CCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring2] | c16ccc8cc1.N14CCN7CC1.c17ncccn1.C48=O.CC5.O56 |
32519 | O=C(C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1 | [O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.C15CCCC1.C16CCCC1.O=C35.C46=O |
32520 | CCOc1ccc(OCc2ccc(C(=O)OC)o2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][Ring1][=Branch2][C][=C][Ring1][P] | c16ccc7cc1.c19ccc8o1.C38=O.CC4.O46.O57.C59.O3C |
32521 | COc1cccc(OCc2ccc(C(=O)NCC3CCCO3)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C][=C][Ring2][Ring1][#Branch1] | c16cccc7c1.c1%11ccc9cc1.C1%10CCCO1.C49=O.CO6.O57.C5%11.N48.C8%10 |
32522 | COC(=O)c1ccc(COc2ccccc2OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][S] | c17ccc8cc1.c15ccccc16.C37=O.CO3.C48.O45.O6C |
32526 | COC(=O)c1c(NC(C)=O)sc2cc(C)ccc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][=C][Ring1][#Branch1] | c16c5sc2cc(C)ccc12.C36=O.C4(C)=O.CO3.N45 |
32527 | CCC1(C)Cc2c(sc3nc(SC)n4c(C)nnc4c23)CO1 | [C][C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][Branch2][S][C][N][=C][Branch1][Ring1][S][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][Ring1][#C][=Ring1][N][C][O][Ring2][Ring1][Ring2] | C15(C)Cc2c(sc3nc6n4c(C)nnc4c23)CO1.CC5.S6C |
32528 | CSc1nnc2c3c4c(sc3ncn12)CC(C)CC4 | [C][S][C][=N][N][=C][C][C][=C][Branch1][N][S][C][=Ring1][Branch1][N][=C][N][Ring1][N][Ring1][=Branch2][C][C][Branch1][C][C][C][C][Ring1][N] | c15nnc2c3c4c(sc3ncn12)CC(C)CC4.CS5 |
32530 | CNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16cc(Cl)ccc13.C2(=O)C4.S5(C)(=O)=O.N456.CN2.O3C |
32531 | CC(=O)Nc1ccc(Cc2ccc(C)c(NC(C)=O)c2)cc1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][O][C][=C][Ring2][Ring1][C][C] | c15ccc7cc1C.c18ccc(C)c6c1.CC3=O.C4(C)=O.N35.C78.N46 |
32532 | COc1ccc(C(=O)Nc2ccccn2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc7cc15.c16ccccn1.C37=O.CO4.N36.O5C |
32533 | O=C(NC(O)C(Cl)(Cl)Cl)c1cccnc1 | [O][=C][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][N][=C][Ring1][=Branch1] | C3(O)C(Cl)(Cl)Cl.c14cccnc1.O=C24.N23 |
32535 | COc1ccccc1Oc1c(C)oc2cc(OC(C)=O)ccc2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][C][Ring1][#C][=O] | c16c(C)oc2cc7ccc2c1=O.c14ccccc15.C3(C)=O.CO4.O56.O37 |
32536 | O=c1oc2ccccc2n1-c1nc2ccccc2o1 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | O=c1oc2ccccc2n13.c13nc2ccccc2o1 |
32537 | Cc1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][=C][Ring2][Ring1][Ring2] | c15ccc2oc(=O)ccc2c1.Cc1cccc6c1.C46=O.N45 |
32538 | CSc1nc2sc3c(c2c2nnnn12)CCCC3 | [C][S][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=N][N][=N][N][Ring1][N][Ring1][Branch1][C][C][C][C][Ring1][N] | c14nc2sc3c(c2c2nnnn12)CCCC3.CS4 |
32539 | c1ccn2c(Cc3nnc4ccccn34)nnc2c1 | [C][C][=C][N][C][Branch1][#C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=Ring2][Ring1][Ring1] | c1ccn2c5nnc2c1.c16nnc2ccccn12.C56 |
32541 | Cc1nc(NCC(=O)c2c[nH]c3ccccc23)sc1C | [C][C][N][=C][Branch2][Ring1][Ring2][N][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][S][C][=Ring2][Ring1][C][C] | c16c[nH]c2ccccc12.Cc1nc5sc1C.C4C6=O.N45 |
32543 | Brc1cccc(CNn2cnnc2)c1 | [Br][C][=C][C][=C][C][Branch1][#Branch2][C][N][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][=N] | Brc1cccc3c1.C3Nn1cnnc1 |
32544 | CCOc1cccc(CO)c1OCc1ccc(F)cc1 | [C][C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cccc6c15.c17ccc(F)cc1.CC2.O24.C6O.O35.C37 |
32546 | CC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c17cc(=O)[nH]c2ccccc12.c16ccc5cc1.CC6=O.C47=O.N45 |
32547 | CC(=O)N(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc6cc1.c17ccc(Cl)cc1.CC3=O.N35C.C47=O.N46 |
32553 | Cc1oc2ccc(O)cc2c1C(O)c1ccccc1 | [C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1oc2ccc(O)cc2c13.c14ccccc1.C34O |
32554 | CCOC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1C(=O)CC | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][C][=Branch1][C][=O][C][C] | c16ccc2c(C)cc(=O)oc2c17.C3(=O)C5C.C7(=O)CC.CC4.O34.O56 |
32555 | O=C1C(Cc2c[nH]c3ccccc23)N=C(O)N1c1ccc(Cl)cc1 | [O][=C][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][N][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15c[nH]c2ccccc12.O=C1C4N=C(O)N16.c16ccc(Cl)cc1.C45 |
32556 | CC(=O)c1c(OCC(N)=O)ccc2c(C)cc(=O)oc12 | [C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][P][=Ring1][Branch2] | c15c4ccc2c(C)cc(=O)oc12.C3C(N)=O.CC5=O.O34 |
32558 | Cc1c(CCC(C)C)c(=O)oc2cc(OCC(N)=O)ccc12 | [C][C][=C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Ring2][Ring1][Branch1][Ring1][O] | Cc1c5c(=O)oc2cc4ccc12.C5CC(C)C.C3C(N)=O.O34 |
32559 | CC(C)Cc1nc2ccccc2c(=O)n1-c1ccc(O)cc1 | [C][C][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c13nc2ccccc2c(=O)n14.c14ccc(O)cc1.CC(C)C3 |
32560 | COc1ccccc1NC(=O)N1CC2CC(C1)c1cccc(=O)n1C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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] | N14CC2CC(C1)c1cccc(=O)n1C2.c15ccccc16.C34=O.CO5.N36 |
32561 | O=C(NC1CCCCNC1=O)c1ccc(=O)oc1 | [O][=C][Branch1][N][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1] | C13CCCCNC1=O.c14ccc(=O)oc1.O=C24.N23 |
32562 | COc1c2occc2c(OC)c2c(=O)cc(C(F)(F)C(F)F)oc12 | [C][O][C][=C][O][C][=C][C][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][C][=Branch1][C][=O][C][=C][Branch1][=N][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][O][C][Ring2][Ring1][=Branch1][=Ring1][=N] | c13c2occc2c4c2c(=O)cc5oc12.C5(F)(F)C(F)F.CO3.O4C |
32563 | CN(CC1OCCO1)c1ncnc2c1[nH]c1ccccc12 | [C][N][Branch1][=Branch2][C][C][O][C][C][O][Ring1][Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c14ncnc2c1[nH]c1ccccc12.C15OCCO1.CN34.C35 |
32564 | CCOC(=O)COc1ccc2c(C)cc(=O)oc2c1C(=O)CC | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][C][=Branch1][C][=O][C][C] | c16ccc2c(C)cc(=O)oc2c17.C3(=O)C5.C7(=O)CC.CC4.O34.O56 |
32565 | O=c1c2[nH]c3ccc(Br)cc3c2ncn1CCO | [O][=C][C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][=C][N][Ring1][=C][C][C][O] | O=c1c2[nH]c3ccc(Br)cc3c2ncn14.C4CO |
32566 | COc1ccc2c(c1OC)C(=O)OC2Nc1ccccc1C(N)=O | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c13ccc2c(c14)C(=O)OC2N5.c15ccccc16.C6(N)=O.CO3.O4C |
32567 | COc1c2c(c(OC)c3occc13)OC(O)(C(F)F)CC2=O | [C][O][C][=C][C][=Branch1][#C][=C][Branch1][Ring1][O][C][C][O][C][=C][C][Ring1][O][=Ring1][Branch1][O][C][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring2][Ring1][C][=O] | c14c2c(c5c3occc13)OC6(O)CC2=O.C6(F)F.CO4.O5C |
32568 | Cc1cc2oc(=O)cc(C)c2cc1NC(=O)C(C)C | [C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=Ring1][Branch2][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | Cc1cc2oc(=O)cc(C)c2cc14.C3(=O)C(C)C.N34 |
32570 | COc1ccc2[nH]c3c(N(C)CC4OCCO4)ncnc3c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][=N][N][Branch1][C][C][C][C][O][C][C][O][Ring1][Branch1][N][=C][N][=C][Ring1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2[nH]c3c7ncnc3c2c1.C18OCCO1.N67C.CO5.C68 |
32571 | CCC(=O)c1c(OCC(N)=O)ccc2c(C)cc(=O)oc12 | [C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][P][=Ring1][Branch2] | c15c4ccc2c(C)cc(=O)oc12.CCC5=O.C3C(N)=O.O34 |
32572 | CC(=O)N(Cc1ccco1)CC1C(C)C=C(C)CC1C | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][Branch1][C][C][C][=C][Branch1][C][C][C][C][Ring1][Branch2][C] | C16C(C)C=C(C)CC1C.c15ccco1.CC2=O.N234.C35.C46 |
32573 | CCOC(=O)c1cc(C)n(CCc2c[nH]c3ccccc23)c1C | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Ring1][P][C] | c18c[nH]c2ccccc12.c16cc(C)n7c1C.C46=O.C7C8.CC5.O45 |
32574 | COc1cc2c(cc1O)CCN(C(=O)c1cc(C)oc1C)C2C | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][Ring2][Ring1][C][C] | c14cc2c(cc1O)CCN3C2C.c15cc(C)oc1C.C35=O.CO4 |
32575 | CCOC(=O)Nc1cc2c(C)cc(=O)oc2cc1C | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][=C][Ring1][N][C] | c16cc2c(C)cc(=O)oc2cc1C.C34=O.CC5.O35.N46 |
32576 | CC=Cc1ccc(OC(C)C(O)c2ccc(O)c(OC)c2)c(OC)c1 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | C=7c1ccc4c6c1.c18ccc(O)c5c1.C3(C)C8O.CC=7.O34.O5C.O6C |
32577 | COc1ccccc1C(CC(=O)N1CCCC1)c1ccco1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | c13ccccc15.C45CC2=O.N12CCCC1.c14ccco1.CO3 |
32578 | Cc1cc(=O)oc2c(C(=O)c3ccccc3)c(OCC(N)=O)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring1] | Cc1cc(=O)oc2c6c5ccc12.c17ccccc1.C4C(N)=O.C67=O.O45 |
32580 | COc1ccc(C(O)c2nccn2Cc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c13ccc6cc1.c15nccn14.c17ccccc1.C56O.CO3.C47 |
32581 | Cc1nn(-c2cccc3cccnc23)c2c1C1C(C2)C1(C)C | [C][C][=N][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][#C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][C][C] | Cc1nn4c2c1C1C(C2)C1(C)C.c14cccc2cccnc12 |
32582 | Cc1nn(C(=O)c2ccco2)c2c1C1C(C2)C1(C)C | [C][C][=N][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][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.c13ccco1 |
32583 | COc1ccc(CC(=O)n2nc(C)c3c2CC2C3C2(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][Ring1][Ring1][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1][O][C] | C6C(=O)n1nc(C)c2c1CC1C2C1(C)C.c14ccc6cc15.CO4.O5C |
32584 | Cc1nn(C(=O)c2ccc3ncccc3c2)c2c1C1C(C2)C1(C)C | [C][C][=N][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring1][P][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][C][C] | Cc1nn(C4=O)c2c1C1C(C2)C1(C)C.c14ccc2ncccc2c1 |
32585 | Cc1ccc(S(=O)(=O)N(C)C(C)C(O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S4(=O)=O)cc1.c15ccccc1.C3(C)C5O.N34C |
32586 | Cc1ccc(S(=O)(=O)N2CC3CC(C2)c2cccc(=O)n2C3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=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][Ring2][Ring1][#Branch1] | N14CC2CC(C1)c1cccc(=O)n1C2.Cc1ccc(S4(=O)=O)cc1 |
32587 | COc1cccc(C(O)c2nccn2Cc2ccccc2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][O][C] | c13cccc7c14.c16nccn15.c18ccccc1.C67O.CO3.C58.O4C |
32588 | CCNC(=O)NC1OC(=O)c2c1ccc(OC)c2OC | [C][C][N][C][=Branch1][C][=O][N][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C] | N4C1OC(=O)c2c1ccc5c26.C34=O.CC7.N37.O5C.O6C |
32590 | COc1ccc2cnn(CCO)c(=O)c2c1OC | [C][O][C][=C][C][=C][C][=N][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][Ring1][#Branch2][=C][Ring1][=C][O][C] | c13ccc2cnn5c(=O)c2c14.C5CO.CO3.O4C |
32591 | O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCc1c[nH]cn1 | [O][=C][C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][=C][N][Ring1][=C][C][C][C][=C][NH1][C][=N][Ring1][Branch1] | O=c1c2[nH]c3ccc(Cl)cc3c2ncn14.c15c[nH]cn1.C4C5 |
32592 | CCOC(=O)c1c(C)n(C)c2c1cc(O)c1occ(C)c12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][O][C][=C][Branch1][C][C][C][=Ring1][=Branch1][Ring1][O] | c15c(C)n(C)c2c1cc(O)c1occ(C)c12.C35=O.CC4.O34 |
32593 | COC(=O)c1ccccc1NC(=O)c1ccc(=O)oc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1] | c15ccccc14.c16ccc(=O)oc1.C25=O.C36=O.CO2.N34 |
32594 | Cc1cc(=O)oc(C)c1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 | [C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N] | c14ccc2c(C)cc(=O)oc2c1.Cc1cc(=O)oc(C)c15.C35=O.N34 |
32595 | COc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c18c[nH]c2ccccc12.c15ccccc17.C34=O.C6C8.CO5.N37.N46 |
32596 | COc1ccc2c(c1OC)C(=O)N1c3ccc(Cl)cc3C(=O)OC21 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring1][Ring1][N] | c14ccc2c(c15)C(=O)N1c3ccc(Cl)cc3C(=O)OC21.CO4.O5C |
32597 | CC12C(=O)N(C3CCCC3)CC(=O)N1CCc1c2[nH]c2ccccc12 | [C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][=N][C][C][C][=C][Ring1][P][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | CC12C(=O)N4CC(=O)N1CCc1c2[nH]c2ccccc12.C14CCCC1 |
32598 | CN(CC(O)c1ccccc1)C(=O)c1ccccc1Br | [C][N][Branch1][=C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.c15ccccc1.C3C5O.CN23.C24=O |
32600 | CC(C)(C)c1ccc(C(N)=O)cc1Br | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][Br] | c13ccc2cc1Br.CC3(C)C.C2(N)=O |
32602 | CCc1ccc(OCC(=O)NCC2CCCO2)cc1 | [C][C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][P] | c18ccc5cc1.C17CCCO1.C4C3=O.CC8.O45.N36.C67 |
32603 | CCc1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c19ccc6cc1.c17ccc8cc1.C5C3=O.C4(C)=O.CC9.O56.N37.N48 |
32605 | CCc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc1.c16ccc7cc1.C4C3=O.C7(N)=O.CC8.O45.N36 |
32606 | CCc1ccc(OCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c19ccc6cc1.c17ccc8cc1.C5C3=O.N48C.C4(C)=O.CC9.O56.N37 |
32607 | CCOC(=O)Cn1c(C)cc(=O)c2cc(OC)ccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][=C] | n16c(C)cc(=O)c2cc5ccc21.C3(=O)C6.CC4.O34.O5C |
32608 | CNC(=O)Cn1c(C)cc(=O)c2cccc(OC)c21 | [C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][Ring1][=C] | n15c(C)cc(=O)c2cccc4c21.C3(=O)C5.CN3.O4C |
32609 | CCC(=O)Nc1c(C(=O)OC)[nH]c2cc(OC)c(OC)cc12 | [C][C][C][=Branch1][C][=O][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][NH1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Ring1][#Branch2] | c17c8[nH]c2cc5c6cc12.CCC4=O.C38=O.N47.O3C.O5C.O6C |
32611 | COc1cc2[nH]c3c(N4CCCCC4)ncnc3c2cc1OC | [C][O][C][=C][C][NH1][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C] | c15cc2[nH]c3c7ncnc3c2cc16.N17CCCCC1.CO5.O6C |
32612 | COc1cc2[nH]c3c(OC)ncnc3c2cc1OC | [C][O][C][=C][C][NH1][C][=C][Branch1][Ring1][O][C][N][=C][N][=C][Ring1][Branch2][C][=Ring1][O][C][=C][Ring1][#C][O][C] | c15cc2[nH]c3c4ncnc3c2cc16.CO5.O4C.O6C |
32614 | COc1cccc(Oc2coc3cc(OC(C)=O)ccc3c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][=C][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][C][Ring1][=C][=O][=C][Ring2][Ring1][=Branch1] | c17coc2cc8ccc2c1=O.c15cccc6c1.C4(C)=O.CO5.O67.O48 |
32615 | COC(=O)c1ccc(=O)n(CCn2cc(C(=O)OC)ccc2=O)c1 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][Ring1][#Branch2][=O][C][=Ring2][Ring1][Ring2] | c15ccc(=O)n7c1.n18cc6ccc1=O.C35=O.C7C8.C46=O.CO3.O4C |
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