ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
32616 | COc1cccc(OCC(=O)c2ccc(O)cc2O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][Ring2][Ring1][C] | c16ccc(O)cc1O.c14cccc5c1.C3C6=O.CO4.O35 |
32617 | COc1ccc(C(=O)n2nc(C)c3c2CC2C3C2(C)C)c(OC)n1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][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][Branch1][Ring1][O][C][=N][Ring2][Ring1][=Branch1] | C6(=O)n1nc(C)c2c1CC1C2C1(C)C.c14ccc6c5n1.CO4.O5C |
32619 | CCn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2 | [C][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][C][Ring1][=Branch2] | n13nc4nc2c(=O)n(C)c(=O)nc1-2.c14cccs1.CC3 |
32620 | COc1ccc(NC(=O)COc2ccc3oc(=O)cc(C)c3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | c17ccc2oc(=O)cc(C)c2c1.c16ccc8cc1.C4(=O)C5.CO6.N48.O57 |
32621 | COc1ccc(C2=NCC(=O)Nc3c2oc2ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][C][=Branch1][C][=O][N][C][=C][Ring1][Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc(C2=NCC(=O)Nc3c2oc2ccccc32)cc1.CO4 |
32623 | Nc1ncnc2c1ncn2C1OC(CO)C(F)C1O | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][F][C][Ring1][Branch2][O] | Nc1ncnc2c1ncn24.C14OC3C(F)C1O.C3O |
32624 | COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16C(=O)NCCN13.c15ccccc1.C2(=O)C6.C34=O.CO2.N45 |
32626 | O=C1C2Cc3ccccc3CN2C(=O)CN1Cc1ccc(Cl)cc1 | [O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][N][Ring1][#C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=C1C2Cc3ccccc3CN2C(=O)CN14.c15ccc(Cl)cc1.C45 |
32627 | COc1cc(C2c3c(n[nH]c3C)CC(C)(O)C2C(C)=O)ccc1O | [C][O][C][=C][C][Branch2][Ring1][N][C][C][C][=Branch1][#Branch1][=N][NH1][C][=Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][O][C][Ring1][N][C][Branch1][C][C][=O][=C][C][=C][Ring2][Ring1][Branch1][O] | c14cc(C2c3c(n[nH]c3C)CC(C)(O)C25)ccc1O.C5(C)=O.CO4 |
32629 | O=C1C2Cc3ccccc3CN2C(=O)CN1Cc1ccccc1 | [O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1C2Cc3ccccc3CN2C(=O)CN14.c15ccccc1.C45 |
32630 | COc1ccccc1Oc1coc2cc(OC(C)=O)ccc2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][C][Ring1][=C][=O] | c16coc2cc7ccc2c1=O.c14ccccc15.C3(C)=O.CO4.O56.O37 |
32631 | O=C1C2Cc3ccccc3CN2C(=O)CN1Cc1ccc(F)cc1 | [O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][N][Ring1][#C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=C1C2Cc3ccccc3CN2C(=O)CN14.c15ccc(F)cc1.C45 |
32632 | Cn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2 | [C][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][C][Ring1][=Branch2] | Cn1nc3nc2c(=O)n(C)c(=O)nc1-2.c13cccs1 |
32633 | Cn1nc(-c2ccc(Cl)c(Cl)c2)nc2c(=O)n(C)c(=O)nc1-2 | [C][N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch2] | Cn1nc3nc2c(=O)n(C)c(=O)nc1-2.c13ccc(Cl)c(Cl)c1 |
32634 | COc1ccc(CN2CC(=O)N3Cc4ccccc4CC3C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1] | N16CC(=O)N2Cc3ccccc3CC2C1=O.c15ccc7cc1.CO5.C67 |
32635 | COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1OC | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | C17C(=O)NCCN13.c16ccccc15.C2(=O)C7.C34=O.CO2.N46.O5C |
32636 | COc1ccccc1C(CC(=O)N1CCCCC1)c1ccco1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c13ccccc15.C45CC2=O.N12CCCCC1.c14ccco1.CO3 |
32637 | Cc1cc(=O)oc2cc(Cl)c(OCC(=O)N3CCCCC3)cc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][Ring1][P] | Cc1cc(=O)oc2cc(Cl)c6cc12.N14CCCCC1.C5C4=O.O56 |
32638 | COc1cc2[nH]c3c(=O)n(Cc4ccccn4)cnc3c2cc1OC | [C][O][C][=C][C][NH1][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=Ring1][=C][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc2[nH]c3c(=O)n7cnc3c2cc16.c18ccccn1.CO5.C78.O6C |
32639 | CCOC(=O)c1cc2c(ccc3oc(=O)c(N)cc32)[nH]1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][O][C][=Branch1][C][=O][C][Branch1][C][N][=C][C][=Ring1][Branch2][Ring1][N][NH1][Ring1][#C] | c16cc2c(ccc3oc(=O)c(N)cc32)[nH]1.C46=O.CC5.O45 |
32640 | CCN(CC)C(=O)CC(c1ccco1)c1ccccc1OC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c17ccccc13.C2(=O)CC67.c16ccco1.N245.CC4.C5C.O3C |
32641 | CC(=O)N1c2ccccc2C(=O)OC1c1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13c2ccccc2C(=O)OC14.c14ccccc1.CC3=O |
32642 | Cc1cc(C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)oc1C | [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][O][C][=Ring2][Ring1][Branch1][C] | N14CC2CC(C1)c1cccc(=O)n1C2.Cc1cc5oc1C.C45=O |
32643 | CCOc1ncnc2c1[nH]c1cc(OC)c(OC)cc12 | [C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][=N] | c14ncnc2c1[nH]c1cc5c6cc12.CC3.O34.O5C.O6C |
32644 | COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CCC31C | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][N][Ring1][=Branch1][C] | c14ccc2[nH]c3c(c2c1)CCN1C(=O)CCC31C.CO4 |
32645 | COC(=O)c1ccc(COc2ccc(CO)cc2OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][C] | c15ccc9cc16.c17ccc8cc1.C37=O.CO3.C48.O45.C9O.O6C |
32646 | O=C1C2Cc3ccccc3CN2C(=O)CN1CCc1ccccc1 | [O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][N][Ring1][#C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1C2Cc3ccccc3CN2C(=O)CN14.c15ccccc1.C4C5 |
32648 | O=C1C2Cc3ccccc3CN2C(=O)CN1Cc1ccccc1Cl | [O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=C1C2Cc3ccccc3CN2C(=O)CN14.c15ccccc1Cl.C45 |
32649 | Cn1c(=O)c2c(nc3[nH]c(-c4ccccc4)cn32)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc3[nH]c5cn32)n(C)c1=O.c15ccccc1 |
32650 | O=C1C2Cc3ccccc3CN2C(=O)CN1C1CCCCC1 | [O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][N][Ring1][#C][C][C][C][C][C][C][Ring1][=Branch1] | O=C1C2Cc3ccccc3CN2C(=O)CN14.C14CCCCC1 |
32651 | COc1cc2[nH]c3c(=O)n(Cc4ccco4)cnc3c2cc1OC | [C][O][C][=C][C][NH1][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][=Ring1][=N][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C] | c15cc2[nH]c3c(=O)n7cnc3c2cc16.c18ccco1.CO5.C78.O6C |
32652 | COc1ccc(OC)c(C(=O)c2oc3ccc(OC)cc3c2N)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][O][N][=C][Ring2][Ring1][=Branch1] | c17oc2ccc6cc2c1N.c14ccc5c8c1.C78=O.CO4.O5C.O6C |
32653 | Cc1cc(=O)oc2ccc(OC(C)C(=O)OC(C)C)cc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][S][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2][Ring1][#C] | Cc1cc(=O)oc2ccc6cc12.C4(C)C3=O.C5(C)C.O46.O35 |
32654 | CCOC(=O)c1oc2cccc(OC)c2c(=O)c1C | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=N][C] | c16oc2cccc5c2c(=O)c1C.C36=O.CC4.O34.O5C |
32655 | CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2 | [C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch2] | n13nc4nc2c(=O)n(C)c(=O)nc1-2.c14ccccc1.CC3 |
32656 | OCc1nc2ccccc2n1CC=Cc1ccccc1 | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccccc2n14.C=3c1ccccc1.C4C=3.OC5 |
32657 | Nc1oc2ccccc2c(=O)c1-c1nc2ccccc2[nH]1 | [N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | Nc1oc2ccccc2c(=O)c13.c13nc2ccccc2[nH]1 |
32658 | COc1ccc(-c2cc(=O)oc3cc(C)cc(OCC(N)=O)c23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][Ring1][P][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | c17cc(=O)oc2cc(C)cc6c12.c15ccc7cc1.C4C(N)=O.CO5.O46 |
32659 | O=C1C2Cc3ccccc3CN2C(=O)CN1C1CCCC1 | [O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][N][Ring1][#C][C][C][C][C][C][Ring1][Branch1] | O=C1C2Cc3ccccc3CN2C(=O)CN14.C14CCCC1 |
32660 | CC(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2c(=O)c6coc2c1.c17cccc(C)c1.CC4=O.O45.O67 |
32661 | Cc1occc1C(=O)N1CC2CC(C1)c1cccc(=O)n1C2 | [C][C][O][C][=C][C][=Ring1][Branch1][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] | N13CC2CC(C1)c1cccc(=O)n1C2.Cc1occc14.C34=O |
32662 | COc1ccc2c(=O)c(-c3ccc(N)cc3)c(C)oc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][Branch1][C][C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c14ccc2c(=O)c5c(C)oc2c1.c15ccc(N)cc1.CO4 |
32663 | COc1ccc(Cn2c(C(C)O)nc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Ring1][O][C] | n16c7nc2ccccc21.c14ccc8cc15.C7(C)O.CO4.C68.O5C |
32664 | Cc1ccc(CN2CC(=O)N3Cc4ccccc4CC3C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1] | N15CC(=O)N2Cc3ccccc3CC2C1=O.Cc1ccc6cc1.C56 |
32665 | COc1cc2[nH]c3c(=O)n(Cc4ccncc4)cnc3c2cc1OC | [C][O][C][=C][C][NH1][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=Ring1][=C][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc2[nH]c3c(=O)n7cnc3c2cc16.c18ccncc1.CO5.C78.O6C |
32666 | CCC(C)C(NC(=O)Nc1ccc(C(C)=O)cc1)C(=O)OC | [C][C][C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C] | CCC(C)C5C2=O.c16ccc7cc1.C34=O.C7(C)=O.N35.N46.O2C |
32667 | Cn1c(=O)[nH]c(=O)c2c1ncn2CCNc1ccccc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1ncn25.c14ccccc1.C5C3.N34 |
32668 | CCCc1cc(=O)oc2cc(OCC(=O)N3CCOCC3)ccc12 | [C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][Ring1][S] | c17cc(=O)oc2cc6ccc12.N14CCOCC1.C5C4=O.CCC7.O56 |
32669 | O=C(Nc1cccc(Cl)c1)N1CC2CC(C1)c1cccc(=O)n1C2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][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.c15cccc(Cl)c1.O=C34.N35 |
32670 | CCOc1cccc(=O)c2c(C)n(NC(=O)c3ccncc3)c(C)c12 | [C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][Ring1][S] | c15cccc(=O)c2c(C)n(NC6=O)c(C)c12.c16ccncc1.CC4.O45 |
32671 | COc1ccc(-n2c(C)c3c(OC)cccc(=O)c3c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][C][=Branch1][C][=O][C][Ring1][#Branch2][=C][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | n16c(C)c2c5cccc(=O)c2c1C.c14ccc6cc1.CO4.O5C |
32672 | COc1c(-c2cc(C)n[nH]2)c(O)c(OC)c2occc12 | [C][O][C][=C][Branch1][O][C][=C][C][Branch1][C][C][=N][NH1][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][O][C][=C][C][Ring2][Ring1][C][=Ring1][Branch1] | c13c5c(O)c4c2occc12.c15cc(C)n[nH]1.CO3.O4C |
32673 | COC(=O)c1cc(Br)c(=O)n(C2CCCCNC2=O)c1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][N][Branch1][O][C][C][C][C][C][N][C][Ring1][#Branch1][=O][C][=Ring1][S] | c14cc(Br)c(=O)n5c1.C15CCCCNC1=O.C34=O.CO3 |
32674 | COc1cc(C(=O)Nc2ccc(C(N)=O)cc2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc8cc5c16.c17ccc9cc1.C38=O.C9(N)=O.CO4.N37.O5C.O6C |
32677 | O=C(Nc1ccc2ncccc2c1)c1ccc(=O)oc1 | [O][=C][Branch1][S][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1] | c14ccc2ncccc2c1.c15ccc(=O)oc1.O=C35.N34 |
32678 | COc1cc2c(cc1O)CCN(C(=O)c1cc(C)c(C)o1)C2C | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][C][C] | c14cc2c(cc1O)CCN3C2C.c15cc(C)c(C)o1.C35=O.CO4 |
32679 | COc1cccc(=O)c2c(C)n(-c3ccc4c(c3)OCO4)c(C)c12 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][Ring1][S] | c15cccc(=O)c2c(C)n6c(C)c12.c16ccc2c(c1)OCO2.CO5 |
32681 | CCOc1cc(-c2cc(=O)c3cc(O)ccc3o2)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][Ring1][N][=C][C][=C][Ring2][Ring1][C][O] | c16cc(=O)c2cc(O)ccc2o1.c15cc6ccc1O.CC4.O45 |
32682 | Cn1nc(-c2ccccn2)nc2c(=O)n(C)c(=O)nc1-2 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch2] | Cn1nc3nc2c(=O)n(C)c(=O)nc1-2.c13ccccn1 |
32683 | CC12COC3(C(=O)Nc4cccnc4)CC1CCC32C | [C][C][C][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C][C][C][C][Ring1][#C][Ring2][Ring1][C][C] | CC12COC37CC1CCC32C.c16cccnc1.C57=O.N56 |
32684 | CC12COC3(C(=O)NCC(F)(F)F)CC1CCC32C | [C][C][C][O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=C][C][C][C][Ring1][=C][Ring1][P][C] | CC12COC36CC1CCC32C.C5C(F)(F)F.C46=O.N45 |
32685 | COc1cc2oc(=O)c(CC(C)O)c(C)c2cc1Cl | [C][O][C][=C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][O][=C][Branch1][C][C][C][=Ring1][N][C][=C][Ring1][S][Cl] | c13cc2oc(=O)c4c(C)c2cc1Cl.C4C(C)O.CO3 |
32686 | CCn1nc(-c2ccc(OC)cc2)nc2c(=O)n(C)c(=O)nc1-2 | [C][C][N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch2] | n14nc5nc2c(=O)n(C)c(=O)nc1-2.c15ccc3cc1.CC4.O3C |
32687 | O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(O)cc2o1 | [O][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring2][Ring1][=Branch1] | O=c1cc4c2ccc(O)cc2o1.c14cc2ccccc2oc1=O |
32688 | CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [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] | n14cnc2c1c(=O)n(C)c(=O)n2C.C3(=O)C4.CN3 |
32690 | COc1ccccc1-c1coc2cc(OCC(N)=O)ccc2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Ring1][O][C][Ring1][#C][=O] | c16coc2cc5ccc2c1=O.c14ccccc16.C3C(N)=O.CO4.O35 |
32691 | COC(=O)c1oc2ccc(Br)cc2c1N | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N] | c14oc2ccc(Br)cc2c1N.C34=O.CO3 |
32692 | COc1ccc2c(c1OC)C(=O)OC2Nc1cccc(C(C)=O)c1 | [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][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2] | c13ccc2c(c14)C(=O)OC2N5.c15cccc6c1.C6(C)=O.CO3.O4C |
32693 | CC(=O)NC1C(Oc2ccc(C)cc2)OC(CO)C(O)C1O | [C][C][=Branch1][C][=O][N][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][P][O] | C16C4OC7C(O)C1O.c15ccc(C)cc1.CC3=O.N36.O45.C7O |
32694 | COC(=O)Cc1c(C)c2ccc(OCC(=O)C(C)(C)C)cc2oc1=O | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O] | c16c(C)c2ccc5cc2oc1=O.C4C(=O)C(C)(C)C.C3(=O)C6.CO3.O45 |
32695 | CC(CCc1ccco1)NC(=O)c1ccc(=O)oc1 | [C][C][Branch1][#Branch2][C][C][C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1] | c14ccc(=O)oc1.CC3CC5.c15ccco1.C24=O.N23 |
32697 | COc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c13ccc(S4(=O)=O)cc1.N14CCCCC15.c15cccnc1.CO3 |
32698 | CCn1nc(-c2ccccn2)nc2c(=O)n(C)c(=O)nc1-2 | [C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch2] | n13nc4nc2c(=O)n(C)c(=O)nc1-2.c14ccccn1.CC3 |
32699 | COc1ccc(C2NC(=O)c3c(cnn3C)N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][N][Ring1][O][C][=C][Ring1][P] | C15NC(=O)c2c(cnn2C)N1.c14ccc5cc1.CO4 |
32700 | CC(=O)C(C)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 | [C][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][Branch1][C][C][=C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][=C][=Ring1][=Branch2] | c14cc(C)cc2oc(=O)c(C)c(C)c12.CC(=O)C3C.O34 |
32701 | COc1ccccc1N1CC23C=CC(O2)C(C(=O)OC(C)C)C3C1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][=N][C][Ring1][S][=O] | N18CC23C=CC(O2)C7C3C1=O.c16ccccc18.C47=O.C5(C)C.CO6.O45 |
32702 | Cc1nn(C(=O)CCC(=O)N2CCCCC2)c2c1C1C(C2)C1(C)C | [C][C][=N][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][C][C] | Cc1nn(C(=O)CCC3=O)c2c1C1C(C2)C1(C)C.N13CCCCC1 |
32704 | Cc1nc2ccccc2c(=O)n1CCc1ccccc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2ccccc2c(=O)n13.c14ccccc1.C3C4 |
32705 | CCC(C)OC1OC(CO)C(O)C(O)C1NC(C)=O | [C][C][C][Branch1][C][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][N][C][Branch1][C][C][=O] | C14OC6C(O)C(O)C15.CCC3C.C2(C)=O.O34.C6O.N25 |
32706 | CCc1c(C)c2ccc(OC(C)C(C)=O)cc2oc1=O | [C][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][N][O][C][Ring1][P][=O] | c15c(C)c2ccc4cc2oc1=O.C3(C)C(C)=O.CC5.O34 |
32708 | CC(=O)N1CCc2ccccc2C1c1c(O)n(C)c(=O)n(C)c1=O | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Branch1][C][O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=O] | N13CCc2ccccc2C1c1c(O)n(C)c(=O)n(C)c1=O.CC3=O |
32709 | COc1cccc(OC2OC(CO)C(O)C(O)C2NC(C)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][N][C][Branch1][C][C][=O][=C][Ring2][Ring1][Branch1] | C14OC8C(O)C(O)C17.c15cccc6c1.C3(C)=O.CO5.O46.C8O.N37 |
32710 | CC(=O)NC1C(Oc2cccc(C)c2)OC(CO)C(O)C1O | [C][C][=Branch1][C][=O][N][C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][P][O] | C16C4OC7C(O)C1O.c15cccc(C)c1.CC3=O.N36.O45.C7O |
32711 | COC(=O)Cc1c(C)c2ccc(OC(C)C(C)=O)cc2oc1=O | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][N][O][C][Ring1][P][=O] | c16c(C)c2ccc5cc2oc1=O.C4(C)C(C)=O.C3(=O)C6.CO3.O45 |
32712 | CCOC(=O)C1C2C=CC3(CN(c4cccc(C)c4)C(=O)C13)O2 | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C17C2C=CC3(CN8C(=O)C13)O2.c18cccc(C)c1.C57=O.CC6.O56 |
32713 | CC(C)OC(=O)C1C2C=CC3(CN(Cc4ccccc4)C(=O)C13)O2 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C17C2C=CC3(CN8C(=O)C13)O2.c19ccccc1.CC6C.C57=O.O56.C89 |
32715 | Cc1cc(=O)oc(C)c1C(=O)N1CC2CC(C1)c1cccc(=O)n1C2 | [C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][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] | N13CC2CC(C1)c1cccc(=O)n1C2.Cc1cc(=O)oc(C)c14.C34=O |
32716 | CC(C)CN1CC23C=CC(O2)C(C(=O)OC(C)C)C3C1=O | [C][C][Branch1][C][C][C][N][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][=N][C][Ring1][S][=O] | N17CC23C=CC(O2)C6C3C1=O.CC(C)C7.C46=O.C5(C)C.O45 |
32717 | COc1cc2[nH]c3c(=O)n(CC4CCCO4)cnc3c2cc1OC | [C][O][C][=C][C][NH1][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=N][C][=Ring1][=N][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C] | c15cc2[nH]c3c(=O)n7cnc3c2cc16.C18CCCO1.CO5.C78.O6C |
32719 | NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 | [N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P] | c15ccc2c(=O)c6coc2c1.c16ccccc1.NC(=O)C4.O45 |
32720 | O=C(CC(Cc1ccccc1)c1ccco1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1] | O=C2CC3C4.c14ccccc1.c13ccco1.N12CCCC1 |
32721 | COC(=O)C1C2C=CC3(CN(c4cccc5ccccc45)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=N][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][Ring1][S][O][Ring2][Ring1][Ring2] | C17C2C=CC3(CN8C(=O)C13)O2.c18cccc2ccccc12.C67=O.CO6 |
32722 | COC(=O)C(Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCO2 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.C3(=O)C6C8.c18ccccc1.C45=O.CO3.N46.N57 |
32723 | COC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P] | c16ccc2c(=O)c7coc2c1.c17ccccc1.C4(=O)C5.CO4.O56 |
32724 | COC(=O)Cc1c(C)c2ccc(OC3CCCCC3=O)cc2oc1=O | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O] | c17c(C)c2ccc6cc2oc1=O.C15CCCCC1=O.C4(=O)C7.CO4.O56 |
32725 | CCOC(=O)C1C2C=CC3(CN(c4ccc(C)cc4)C(=O)C13)O2 | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C17C2C=CC3(CN8C(=O)C13)O2.c18ccc(C)cc1.C57=O.CC6.O56 |
32726 | COc1ccc(-c2c(C)oc3cc(OCC(N)=O)ccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][Branch1][C][C][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Ring1][O][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | c17c(C)oc2cc6ccc2c1=O.c15ccc7cc1.C4C(N)=O.CO5.O46 |
32727 | O=C(c1ccccc1Cl)N1CC2CC(C1)c1cccc(=O)n1C2 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N] | N13CC2CC(C1)c1cccc(=O)n1C2.c14ccccc1Cl.O=C34 |
32728 | CCOC(=O)C1(C)c2[nH]c3ccc(OC)cc3c2CCN1C(C)=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][N][Ring1][S][C][Branch1][C][C][=O] | C4(=O)C1(C)c2[nH]c3ccc7cc3c2CCN15.C5(C)=O.CC6.O46.O7C |
32729 | CC1(C)CC2(CCO1)OC(=O)CC2C(=O)NCc1ccccc1 | [C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][C][O][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1(C)CC2(CCO1)OC(=O)CC25.c16ccccc1.C35=O.N34.C46 |
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