EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C29H34N2O11/c1-6-38-29(36)42-24-21(37-5)12-13-30-22(24)25(32)31-20-15-39-27(34)19(14-18-10-8-7-9-11-18)23(17(4)40-28(20)35)41-26(33)16(2)3/h7-13,16-17,19-20,23H,6,14-15H2,1-5H3,(H,31,32)/t17-,19+,20-,23-/m0/s1
SMILES: CCCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C30H36N2O11/c1-6-14-39-30(37)43-25-22(38-5)12-13-31-23(25)26(33)32-21-16-40-28(35)20(15-19-10-8-7-9-11-19)24(18(4)41-29(21)36)42-27(34)17(2)3/h7-13,17-18,20-21,24H,6,14-16H2,1-5H3,(H,32,33)/t18-,20+,21-,24-/m0/s1
SMILES: C=CCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][=C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C30H34N2O11/c1-6-14-39-30(37)43-25-22(38-5)12-13-31-23(25)26(33)32-21-16-40-28(35)20(15-19-10-8-7-9-11-19)24(18(4)41-29(21)36)42-27(34)17(2)3/h6-13,17-18,20-21,24H,1,14-16H2,2-5H3,(H,32,33)/t18-,20+,21-,24-/m0/s1
SMILES: CCCCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C31H38N2O11/c1-6-7-15-40-31(38)44-26-23(39-5)13-14-32-24(26)27(34)33-22-17-41-29(36)21(16-20-11-9-8-10-12-20)25(19(4)42-30(22)37)43-28(35)18(2)3/h8-14,18-19,21-22,25H,6-7,15-17H2,1-5H3,(H,33,34)/t19-,21+,22-,25-/m0/s1
SMILES: C=CCCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][=C][C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C31H36N2O11/c1-6-7-15-40-31(38)44-26-23(39-5)13-14-32-24(26)27(34)33-22-17-41-29(36)21(16-20-11-9-8-10-12-20)25(19(4)42-30(22)37)43-28(35)18(2)3/h6,8-14,18-19,21-22,25H,1,7,15-17H2,2-5H3,(H,33,34)/t19-,21+,22-,25-/m0/s1
SMILES: CC#CCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][#C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C31H34N2O11/c1-6-7-15-40-31(38)44-26-23(39-5)13-14-32-24(26)27(34)33-22-17-41-29(36)21(16-20-11-9-8-10-12-20)25(19(4)42-30(22)37)43-28(35)18(2)3/h8-14,18-19,21-22,25H,15-17H2,1-5H3,(H,33,34)/t19-,21+,22-,25-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCC(C)C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C]
InChI: InChI=1S/C31H38N2O11/c1-17(2)15-41-31(38)44-26-23(39-6)12-13-32-24(26)27(34)33-22-16-40-29(36)21(14-20-10-8-7-9-11-20)25(19(5)42-30(22)37)43-28(35)18(3)4/h7-13,17-19,21-22,25H,14-16H2,1-6H3,(H,33,34)/t19-,21+,22-,25-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCC(C)(C)C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C32H40N2O11/c1-18(2)28(36)44-25-19(3)43-30(38)22(16-41-29(37)21(25)15-20-11-9-8-10-12-20)34-27(35)24-26(23(40-7)13-14-33-24)45-31(39)42-17-32(4,5)6/h8-14,18-19,21-22,25H,15-17H2,1-7H3,(H,34,35)/t19-,21+,22-,25-/m0/s1
SMILES: CCCCCCOC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][C][C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C33H42N2O11/c1-6-7-8-12-17-42-33(40)46-28-25(41-5)15-16-34-26(28)29(36)35-24-19-43-31(38)23(18-22-13-10-9-11-14-22)27(21(4)44-32(24)39)45-30(37)20(2)3/h9-11,13-16,20-21,23-24,27H,6-8,12,17-19H2,1-5H3,(H,35,36)/t21-,23+,24-,27-/m0/s1
SMILES: CCCCC(CC)COC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C35H46N2O11/c1-7-9-13-23(8-2)19-45-35(42)48-30-27(43-6)16-17-36-28(30)31(38)37-26-20-44-33(40)25(18-24-14-11-10-12-15-24)29(22(5)46-34(26)41)47-32(39)21(3)4/h10-12,14-17,21-23,25-26,29H,7-9,13,18-20H2,1-6H3,(H,37,38)/t22-,23?,25+,26-,29-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C][Branch1][C][C][C]
InChI: InChI=1S/C37H48N2O11/c1-20(2)25-14-13-22(5)17-29(25)48-37(44)50-32-28(45-7)15-16-38-30(32)33(40)39-27-19-46-35(42)26(18-24-11-9-8-10-12-24)31(23(6)47-36(27)43)49-34(41)21(3)4/h8-12,15-16,20-23,25-27,29,31H,13-14,17-19H2,1-7H3,(H,39,40)/t22-,23+,25+,26-,27+,29-,31+/m1/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCCCl
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][C][Cl]
InChI: InChI=1S/C29H33ClN2O11/c1-16(2)26(34)42-23-17(3)41-28(36)20(15-40-27(35)19(23)14-18-8-6-5-7-9-18)32-25(33)22-24(21(38-4)10-12-31-22)43-29(37)39-13-11-30/h5-10,12,16-17,19-20,23H,11,13-15H2,1-4H3,(H,32,33)/t17-,19+,20-,23-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCCBr
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][C][Br]
InChI: InChI=1S/C29H33BrN2O11/c1-16(2)26(34)42-23-17(3)41-28(36)20(15-40-27(35)19(23)14-18-8-6-5-7-9-18)32-25(33)22-24(21(38-4)10-12-31-22)43-29(37)39-13-11-30/h5-10,12,16-17,19-20,23H,11,13-15H2,1-4H3,(H,32,33)/t17-,19+,20-,23-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCCCCCl
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][C][C][C][Cl]
InChI: InChI=1S/C31H37ClN2O11/c1-18(2)28(36)44-25-19(3)43-30(38)22(17-42-29(37)21(25)16-20-10-6-5-7-11-20)34-27(35)24-26(23(40-4)12-14-33-24)45-31(39)41-15-9-8-13-32/h5-7,10-12,14,18-19,21-22,25H,8-9,13,15-17H2,1-4H3,(H,34,35)/t19-,21+,22-,25-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCC(Cl)(Cl)Cl
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
InChI: InChI=1S/C29H31Cl3N2O11/c1-15(2)25(36)44-22-16(3)43-27(38)19(13-41-26(37)18(22)12-17-8-6-5-7-9-17)34-24(35)21-23(20(40-4)10-11-33-21)45-28(39)42-14-29(30,31)32/h5-11,15-16,18-19,22H,12-14H2,1-4H3,(H,34,35)/t16-,18+,19-,22-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCc1ccccc1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C34H36N2O11/c1-20(2)31(38)46-28-21(3)45-33(40)25(19-43-32(39)24(28)17-22-11-7-5-8-12-22)36-30(37)27-29(26(42-4)15-16-35-27)47-34(41)44-18-23-13-9-6-10-14-23/h5-16,20-21,24-25,28H,17-19H2,1-4H3,(H,36,37)/t21-,24+,25-,28-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCc1ccccc1Cl
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI: InChI=1S/C34H35ClN2O11/c1-19(2)31(39)47-28-20(3)46-33(41)25(18-44-32(40)23(28)16-21-10-6-5-7-11-21)37-30(38)27-29(26(43-4)14-15-36-27)48-34(42)45-17-22-12-8-9-13-24(22)35/h5-15,19-20,23,25,28H,16-18H2,1-4H3,(H,37,38)/t20-,23+,25-,28-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)Oc1ccccc1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C33H34N2O11/c1-19(2)30(37)45-27-20(3)43-32(39)24(18-42-31(38)23(27)17-21-11-7-5-8-12-21)35-29(36)26-28(25(41-4)15-16-34-26)46-33(40)44-22-13-9-6-10-14-22/h5-16,19-20,23-24,27H,17-18H2,1-4H3,(H,35,36)/t20-,23+,24-,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)Oc1ccc(C)cc1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C34H36N2O11/c1-19(2)31(38)46-28-21(4)44-33(40)25(18-43-32(39)24(28)17-22-9-7-6-8-10-22)36-30(37)27-29(26(42-5)15-16-35-27)47-34(41)45-23-13-11-20(3)12-14-23/h6-16,19,21,24-25,28H,17-18H2,1-5H3,(H,36,37)/t21-,24+,25-,28-/m0/s1
SMILES: CCCSC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][S][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C30H36N2O10S/c1-6-14-43-30(37)42-25-22(38-5)12-13-31-23(25)26(33)32-21-16-39-28(35)20(15-19-10-8-7-9-11-19)24(18(4)40-29(21)36)41-27(34)17(2)3/h7-13,17-18,20-21,24H,6,14-16H2,1-5H3,(H,32,33)/t18-,20+,21-,24-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)N(C)C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C]
InChI: InChI=1S/C29H35N3O10/c1-16(2)26(34)41-23-17(3)40-28(36)20(15-39-27(35)19(23)14-18-10-8-7-9-11-18)31-25(33)22-24(42-29(37)32(4)5)21(38-6)12-13-30-22/h7-13,16-17,19-20,23H,14-15H2,1-6H3,(H,31,33)/t17-,19+,20-,23-/m0/s1
SMILES: CCC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nccc(OC)c2OC(C)=O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C29H34N2O10/c1-6-16(2)27(34)41-24-17(3)39-29(36)21(15-38-28(35)20(24)14-19-10-8-7-9-11-19)31-26(33)23-25(40-18(4)32)22(37-5)12-13-30-23/h7-13,16-17,20-21,24H,6,14-15H2,1-5H3,(H,31,33)/t16?,17-,20+,21-,24-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)CC(C)C)[C@H](C)OC2=O)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][N][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][=Branch2][=O][=C][Ring2][Ring2][Ring1][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C29H34N2O10/c1-16(2)13-23(33)41-25-17(3)39-29(36)21(15-38-28(35)20(25)14-19-9-7-6-8-10-19)31-27(34)24-26(40-18(4)32)22(37-5)11-12-30-24/h6-12,16-17,20-21,25H,13-15H2,1-5H3,(H,31,34)/t17-,20+,21-,25-/m0/s1
SMILES: COCCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)(C)C)[C@H](C)OC1=O
SELFIES: [C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][=Branch2][=O]
InChI: InChI=1S/C31H38N2O11/c1-18-25(44-30(38)31(2,3)4)20(16-19-10-8-7-9-11-19)28(36)41-17-21(29(37)42-18)33-27(35)24-26(22(40-6)12-14-32-24)43-23(34)13-15-39-5/h7-12,14,18,20-21,25H,13,15-17H2,1-6H3,(H,33,35)/t18-,20+,21-,25-/m0/s1
SMILES: COCCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)CC(C)(C)C)[C@H](C)OC1=O
SELFIES: [C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][#Branch2][=O]
InChI: InChI=1S/C32H40N2O11/c1-19-27(45-25(36)17-32(2,3)4)21(16-20-10-8-7-9-11-20)30(38)42-18-22(31(39)43-19)34-29(37)26-28(23(41-6)12-14-33-26)44-24(35)13-15-40-5/h7-12,14,19,21-22,27H,13,15-18H2,1-6H3,(H,34,37)/t19-,21+,22-,27-/m0/s1
SMILES: COCCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)CCOC)[C@H](C)OC1=O
SELFIES: [C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][#Branch2][O][C][=Branch1][C][=O][C][C][O][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][=Branch2][=O]
InChI: InChI=1S/C30H36N2O12/c1-18-26(43-23(33)11-14-38-2)20(16-19-8-6-5-7-9-19)29(36)41-17-21(30(37)42-18)32-28(35)25-27(22(40-4)10-13-31-25)44-24(34)12-15-39-3/h5-10,13,18,20-21,26H,11-12,14-17H2,1-4H3,(H,32,35)/t18-,20+,21-,26-/m0/s1
SMILES: COCCC(=O)Oc1c(OC)ccnc1C(=O)Nc1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1
SELFIES: [C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C25H21F3N2O6/c1-34-13-11-20(31)36-23-19(35-2)10-12-29-21(23)24(33)30-18-8-6-15(7-9-18)22(32)16-4-3-5-17(14-16)25(26,27)28/h3-10,12,14H,11,13H2,1-2H3,(H,30,33)
SMILES: CO/N=C(/c1ccc(NC(=O)c2nccc(OC)c2OC(C)=O)cc1)c1cccc(C(F)(F)F)c1
SELFIES: [C][O][/N][=C][Branch2][Ring2][Ring2][/C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
InChI: InChI=1S/C24H20F3N3O5/c1-14(31)35-22-19(33-2)11-12-28-21(22)23(32)29-18-9-7-15(8-10-18)20(30-34-3)16-5-4-6-17(13-16)24(25,26)27/h4-13H,1-3H3,(H,29,32)/b30-20-
SMILES: COCCC(=O)Oc1c(OC)ccnc1C(=O)Nc1ccc(/C(=N/OC)c2cccc(C(F)(F)F)c2)cc1
SELFIES: [C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=Branch1][Ring2][=N][/O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C26H24F3N3O6/c1-35-14-12-21(33)38-24-20(36-2)11-13-30-23(24)25(34)31-19-9-7-16(8-10-19)22(32-37-3)17-5-4-6-18(15-17)26(27,28)29/h4-11,13,15H,12,14H2,1-3H3,(H,31,34)/b32-22-
SMILES: COc1ccnc(C(=O)Nc2cccc(Sc3ccc(C(F)(F)F)cc3)c2)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C22H17F3N2O4S/c1-13(28)31-20-18(30-2)10-11-26-19(20)21(29)27-15-4-3-5-17(12-15)32-16-8-6-14(7-9-16)22(23,24)25/h3-12H,1-2H3,(H,27,29)
SMILES: COCCC(=O)Oc1c(OC)ccnc1C(=O)Nc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
SELFIES: [C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C25H22F3N3O6/c1-35-13-11-20(32)37-22-19(36-2)10-12-29-21(22)24(34)31-18-5-3-4-15(14-18)23(33)30-17-8-6-16(7-9-17)25(26,27)28/h3-10,12,14H,11,13H2,1-2H3,(H,30,33)(H,31,34)
SMILES: COc1ccnc(C(=O)Nc2ccc(C(=O)Oc3ccc(C(F)(F)F)cc3)cc2)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C23H17F3N2O6/c1-13(29)33-20-18(32-2)11-12-27-19(20)21(30)28-16-7-3-14(4-8-16)22(31)34-17-9-5-15(6-10-17)23(24,25)26/h3-12H,1-2H3,(H,28,30)
SMILES: COCCC(=O)Oc1c(OC)ccnc1C(=O)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
SELFIES: [C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C25H22F3N3O6/c1-35-13-11-20(32)37-22-19(36-2)10-12-29-21(22)24(34)31-18-5-3-4-17(14-18)30-23(33)15-6-8-16(9-7-15)25(26,27)28/h3-10,12,14H,11,13H2,1-2H3,(H,30,33)(H,31,34)
SMILES: COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2]
InChI: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
SMILES: Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
SELFIES: [C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
InChI: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
SMILES: Cc1cc(C(=O)N2CCN(C)CC2)c(Nc2ccccc2N)s1
SELFIES: [C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C17H22N4OS/c1-12-11-13(17(22)21-9-7-20(2)8-10-21)16(23-12)19-15-6-4-3-5-14(15)18/h3-6,11,19H,7-10,18H2,1-2H3
SMILES: Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1
SELFIES: [C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][P]
InChI: InChI=1S/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3
SMILES: COC(=O)c1cc(C)sc1N
SELFIES: [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][N]
InChI: InChI=1S/C7H9NO2S/c1-4-3-5(6(8)11-4)7(9)10-2/h3H,8H2,1-2H3