EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNC2=NCCCN2)c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)CN2CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC2)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][C][C][N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][=Branch2][#C][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring2][Ring2][C][=C][Ring2][#Branch1][C][C]
InChI: InChI=1S/C79H127N15O20S/c1-53-44-57(45-54(2)69(53)115(106,107)89-60(73(105)108-18)48-85-70(102)55-23-26-61-56(46-55)47-86-94(61)34-21-31-84-74-82-29-20-30-83-74)109-43-19-22-62(95)80-32-33-81-71(103)58(24-27-64(97)110-75(3,4)5)88-72(104)59(25-28-65(98)111-76(6,7)8)87-63(96)49-90-35-37-91(50-66(99)112-77(9,10)11)39-41-93(52-68(101)114-79(15,16)17)42-40-92(38-36-90)51-67(100)113-78(12,13)14/h23,26,44-47,58-60,89H,19-22,24-25,27-43,48-52H2,1-18H3,(H,80,95)(H,81,103)(H,85,102)(H,87,96)(H,88,104)(H2,82,83,84)/t58?,59-,60-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(CCCNc3ccccn3)nn(C)c2c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)OCc2ccccc2)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][Branch1][C][C][C][Ring1][S][=C][Ring2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][O][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O][C]
InChI: InChI=1S/C43H52N8O9S/c1-29-24-33(59-23-11-16-39(52)46-21-22-47-43(55)60-28-31-12-6-5-7-13-31)25-30(2)40(29)61(56,57)50-36(42(54)58-4)27-48-41(53)32-17-18-34-35(49-51(3)37(34)26-32)14-10-20-45-38-15-8-9-19-44-38/h5-9,12-13,15,17-19,24-26,36,50H,10-11,14,16,20-23,27-28H2,1-4H3,(H,44,45)(H,46,52)(H,47,55)(H,48,53)/t36-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(CCCNC3=NCCCC3)nn(C)c2c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCN)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=N][N][Branch1][C][C][C][Ring1][S][=C][Ring2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][=N][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=C][Ring1][P][C]
InChI: InChI=1S/C35H50N8O7S/c1-23-19-26(50-18-8-11-32(44)39-17-14-36)20-24(2)33(23)51(47,48)42-29(35(46)49-4)22-40-34(45)25-12-13-27-28(41-43(3)30(27)21-25)9-7-16-38-31-10-5-6-15-37-31/h12-13,19-21,29,42H,5-11,14-18,22,36H2,1-4H3,(H,37,38)(H,39,44)(H,40,45)/t29-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(CCCNC3=NCCCC3)nn(C)c2c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=N][N][Branch1][C][C][C][Ring1][S][=C][Ring2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][Branch1][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch2][C]
InChI: InChI=1S/C52H71N9O12S/c1-34-29-38(71-28-14-19-45(62)55-26-27-56-49(65)41(22-23-46(63)73-52(3,4)5)58-51(67)72-33-36-15-9-8-10-16-36)30-35(2)47(34)74(68,69)60-42(50(66)70-7)32-57-48(64)37-20-21-39-40(59-61(6)43(39)31-37)17-13-25-54-44-18-11-12-24-53-44/h8-10,15-16,20-21,29-31,41-42,60H,11-14,17-19,22-28,32-33H2,1-7H3,(H,53,54)(H,55,62)(H,56,65)(H,57,64)(H,58,67)/t41-,42-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(CCCNC3=NCCCC3)nn(C)c2c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=N][N][Branch1][C][C][C][Ring1][S][=C][Ring2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][=Branch1][=Branch2][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Branch1][Branch1][C]
InChI: InChI=1S/C61H86N10O15S/c1-39-34-43(35-40(2)54(39)87(80,81)70-48(58(78)82-10)37-66-55(75)42-23-24-44-45(69-71(9)49(44)36-42)20-16-30-63-50-21-14-15-29-62-50)83-33-17-22-51(72)64-31-32-65-56(76)46(25-27-52(73)85-60(3,4)5)67-57(77)47(26-28-53(74)86-61(6,7)8)68-59(79)84-38-41-18-12-11-13-19-41/h11-13,18-19,23-24,34-36,46-48,70H,14-17,20-22,25-33,37-38H2,1-10H3,(H,62,63)(H,64,72)(H,65,76)(H,66,75)(H,67,77)(H,68,79)/t46-,47-,48-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(CCCNC3=NCCCC3)nn(C)c2c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)CN2CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC2)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=N][N][Branch1][C][C][C][Ring1][S][=C][Ring2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][=Branch2][#C][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring2][Ring2][C][=C][Ring2][#Branch1][C][C]
InChI: InChI=1S/C81H130N14O20S/c1-54-46-57(47-55(2)72(54)116(107,108)90-62(76(106)109-19)49-86-73(103)56-27-28-58-59(89-91(18)63(58)48-56)24-22-34-83-64-25-20-21-33-82-64)110-45-23-26-65(96)84-35-36-85-74(104)60(29-31-67(98)111-77(3,4)5)88-75(105)61(30-32-68(99)112-78(6,7)8)87-66(97)50-92-37-39-93(51-69(100)113-79(9,10)11)41-43-95(53-71(102)115-81(15,16)17)44-42-94(40-38-92)52-70(101)114-80(12,13)14/h27-28,46-48,60-62,90H,20-26,29-45,49-53H2,1-19H3,(H,82,83)(H,84,96)(H,85,104)(H,86,103)(H,87,97)(H,88,105)/t60-,61-,62-/m0/s1
SMILES: CCOC(=O)c1ccc2c(cnn2CCN)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][=N][N][Ring1][Branch1][C][C][N][=C][Ring1][N]
InChI: InChI=1S/C12H15N3O2/c1-2-17-12(16)9-3-4-11-10(7-9)8-14-15(11)6-5-13/h3-4,7-8H,2,5-6,13H2,1H3
SMILES: Cc1cc(OCCCC(=O)NCCN)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCNC2=NCCCC2)c1)C(=O)O
SELFIES: [C][C][=C][C][Branch1][=N][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][=C][C][Branch1][C][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C32H44N8O7S/c1-21-16-25(47-15-5-7-29(41)36-12-10-33)17-22(2)30(21)48(45,46)39-26(32(43)44)20-37-31(42)23-8-9-27-24(18-23)19-38-40(27)14-13-35-28-6-3-4-11-34-28/h8-9,16-19,26,39H,3-7,10-15,20,33H2,1-2H3,(H,34,35)(H,36,41)(H,37,42)(H,43,44)/t26-/m0/s1
SMILES: Cc1cc(OCCCC(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCNC2=NCCCC2)c1)C(=O)O
SELFIES: [C][C][=C][C][Branch2][Branch1][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C49H65N9O12S/c1-32-26-37(68-25-11-15-42(59)52-21-22-53-46(62)38(17-19-43(60)70-49(3,4)5)56-48(65)69-31-34-12-7-6-8-13-34)27-33(2)44(32)71(66,67)57-39(47(63)64)30-54-45(61)35-16-18-40-36(28-35)29-55-58(40)24-23-51-41-14-9-10-20-50-41/h6-8,12-13,16,18,26-29,38-39,57H,9-11,14-15,17,19-25,30-31H2,1-5H3,(H,50,51)(H,52,59)(H,53,62)(H,54,61)(H,56,65)(H,63,64)/t38-,39-/m0/s1
SMILES: Cc1cc(OCCCC(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCNC2=NCCCC2)c1)C(=O)O
SELFIES: [C][C][=C][C][Branch2][=Branch1][=Branch2][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Branch1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C58H80N10O15S/c1-37-31-42(32-38(2)51(37)84(78,79)67-45(55(75)76)35-63-52(72)40-19-22-46-41(33-40)34-64-68(46)29-28-60-47-17-12-13-25-59-47)80-30-14-18-48(69)61-26-27-62-53(73)43(20-23-49(70)82-57(3,4)5)65-54(74)44(21-24-50(71)83-58(6,7)8)66-56(77)81-36-39-15-10-9-11-16-39/h9-11,15-16,19,22,31-34,43-45,67H,12-14,17-18,20-21,23-30,35-36H2,1-8H3,(H,59,60)(H,61,69)(H,62,73)(H,63,72)(H,65,74)(H,66,77)(H,75,76)/t43-,44-,45-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCNC2=NCCCC2)c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)CN2CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC2)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][=Branch2][#C][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring2][Ring2][C][=C][Ring2][#Branch1][C][C]
InChI: InChI=1S/C79H126N14O20S/c1-53-44-57(45-54(2)70(53)114(105,106)88-60(74(104)107-18)48-84-71(101)55-24-27-61-56(46-55)47-85-93(61)34-33-81-62-22-19-20-30-80-62)108-43-21-23-63(94)82-31-32-83-72(102)58(25-28-65(96)109-75(3,4)5)87-73(103)59(26-29-66(97)110-76(6,7)8)86-64(95)49-89-35-37-90(50-67(98)111-77(9,10)11)39-41-92(52-69(100)113-79(15,16)17)42-40-91(38-36-89)51-68(99)112-78(12,13)14/h24,27,44-47,58-60,88H,19-23,25-26,28-43,48-52H2,1-18H3,(H,80,81)(H,82,94)(H,83,102)(H,84,101)(H,86,95)(H,87,103)/t58-,59-,60-/m0/s1
SMILES: CCOC(=O)c1ccc2nn(CCN)cc2c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=N][N][Branch1][Ring2][C][C][N][C][=C][Ring1][Branch2][C][=Ring1][N]
InChI: InChI=1S/C12H15N3O2/c1-2-17-12(16)9-3-4-11-10(7-9)8-15(14-11)6-5-13/h3-4,7-8H,2,5-6,13H2,1H3
SMILES: Cc1cc(OCCCC(=O)NCCN)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2nn(CCNC3=NCCCC3)cc2c1)C(=O)O
SELFIES: [C][C][=C][C][Branch1][=N][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][=C][C][Branch1][C][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=N][N][Branch1][N][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C32H44N8O7S/c1-21-16-25(47-15-5-7-29(41)36-12-10-33)17-22(2)30(21)48(45,46)39-27(32(43)44)19-37-31(42)23-8-9-26-24(18-23)20-40(38-26)14-13-35-28-6-3-4-11-34-28/h8-9,16-18,20,27,39H,3-7,10-15,19,33H2,1-2H3,(H,34,35)(H,36,41)(H,37,42)(H,43,44)/t27-/m0/s1
SMILES: Cc1cc(OCCCC(=O)NCCNC(=O)CN2CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2nn(CCNC3=NCCCC3)cc2c1)C(=O)O
SELFIES: [C][C][=C][C][Branch2][=Branch1][P][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring2][Ring2][=C][C][Branch1][C][C][=C][Ring2][Branch1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=N][N][Branch1][N][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C60H94N12O14S/c1-42-33-46(34-43(2)55(42)87(81,82)67-48(57(79)80)36-65-56(78)44-17-18-47-45(35-44)37-72(66-47)23-22-62-49-15-12-13-19-61-49)83-32-14-16-50(73)63-20-21-64-51(74)38-68-24-26-69(39-52(75)84-58(3,4)5)28-30-71(41-54(77)86-60(9,10)11)31-29-70(27-25-68)40-53(76)85-59(6,7)8/h17-18,33-35,37,48,67H,12-16,19-32,36,38-41H2,1-11H3,(H,61,62)(H,63,73)(H,64,74)(H,65,78)(H,79,80)/t48-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCNC2=NCCCC2)c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCN)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C33H40N8O7S2/c1-48-33(43)29(22-37-32(42)25-9-14-30-26(20-25)21-38-41(30)19-18-36-31-4-2-3-16-35-31)40-50(46,47)28-12-7-24(8-13-28)23-5-10-27(11-6-23)49(44,45)39-17-15-34/h5-14,20-21,29,39-40H,2-4,15-19,22,34H2,1H3,(H,35,36)(H,37,42)/t29-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCNC2=NCCCC2)c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=N][C][=C][C][=C][Branch2][Ring2][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C50H61N9O12S2/c1-50(2,3)71-45(60)24-22-41(57-49(64)70-33-34-10-6-5-7-11-34)47(62)53-26-27-56-72(65,66)39-18-13-35(14-19-39)36-15-20-40(21-16-36)73(67,68)58-42(48(63)69-4)32-54-46(61)37-17-23-43-38(30-37)31-55-59(43)29-28-52-44-12-8-9-25-51-44/h5-7,10-11,13-21,23,30-31,41-42,56,58H,8-9,12,22,24-29,32-33H2,1-4H3,(H,51,52)(H,53,62)(H,54,61)(H,57,64)/t41-,42-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCNC2=NCCCC2)c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][#Branch1][Ring2][C][=C][C][=C][Branch2][=Branch1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][P][C][=C][Ring2][Branch1][#Branch1]
InChI: InChI=1S/C59H76N10O15S2/c1-58(2,3)83-51(70)28-25-46(66-55(74)47(26-29-52(71)84-59(4,5)6)67-57(76)82-38-39-13-9-8-10-14-39)54(73)62-31-32-65-85(77,78)44-21-16-40(17-22-44)41-18-23-45(24-19-41)86(79,80)68-48(56(75)81-7)37-63-53(72)42-20-27-49-43(35-42)36-64-69(49)34-33-61-50-15-11-12-30-60-50/h8-10,13-14,16-24,27,35-36,46-48,65,68H,11-12,15,25-26,28-34,37-38H2,1-7H3,(H,60,61)(H,62,73)(H,63,72)(H,66,74)(H,67,76)/t46-,47-,48-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCNC2=NCCCC2)c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)CN3CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC3)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][N][C][=N][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][#Branch2][#Branch2][C][=C][C][=C][Branch2][=Branch2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring2][Ring2][C][=C][Ring2][=Branch1][=C][C][=C][Ring2][#Branch1][Ring2]
InChI: InChI=1S/C79H120N14O20S2/c1-75(2,3)109-66(95)32-29-60(87-73(102)61(30-33-67(96)110-76(4,5)6)86-65(94)50-89-39-41-90(51-68(97)111-77(7,8)9)43-45-92(53-70(99)113-79(13,14)15)46-44-91(42-40-89)52-69(98)112-78(10,11)12)72(101)82-35-36-85-114(104,105)58-25-20-54(21-26-58)55-22-27-59(28-23-55)115(106,107)88-62(74(103)108-16)49-83-71(100)56-24-31-63-57(47-56)48-84-93(63)38-37-81-64-19-17-18-34-80-64/h20-28,31,47-48,60-62,85,88H,17-19,29-30,32-46,49-53H2,1-16H3,(H,80,81)(H,82,101)(H,83,100)(H,86,94)(H,87,102)/t60-,61-,62-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncccn2)c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)OCc3ccccc3)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C41H43N9O9S2/c1-58-39(52)36(27-46-38(51)32-13-18-37-33(25-32)26-47-50(37)24-6-21-44-40-42-19-5-20-43-40)49-61(56,57)35-16-11-31(12-17-35)30-9-14-34(15-10-30)60(54,55)48-23-22-45-41(53)59-28-29-7-3-2-4-8-29/h2-5,7-20,25-26,36,48-49H,6,21-24,27-28H2,1H3,(H,45,53)(H,46,51)(H,42,43,44)/t36-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNC2=NCCCN2)c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][C][C][N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=N][C][=C][C][=C][Branch2][Ring2][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C50H62N10O12S2/c1-50(2,3)72-44(61)23-21-41(58-49(65)71-33-34-10-6-5-7-11-34)46(63)51-27-28-57-73(66,67)39-17-12-35(13-18-39)36-14-19-40(20-15-36)74(68,69)59-42(47(64)70-4)32-55-45(62)37-16-22-43-38(30-37)31-56-60(43)29-9-26-54-48-52-24-8-25-53-48/h5-7,10-20,22,30-31,41-42,57,59H,8-9,21,23-29,32-33H2,1-4H3,(H,51,63)(H,55,62)(H,58,65)(H2,52,53,54)/t41-,42-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNC2=NCCCN2)c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][C][C][N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][#Branch1][Ring2][C][=C][C][=C][Branch2][=Branch1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][P][C][=C][Ring2][Branch1][#Branch1]
InChI: InChI=1S/C59H77N11O15S2/c1-58(2,3)84-50(71)27-24-46(67-54(75)47(25-28-51(72)85-59(4,5)6)68-57(77)83-38-39-13-9-8-10-14-39)53(74)60-32-33-66-86(78,79)44-20-15-40(16-21-44)41-17-22-45(23-18-41)87(80,81)69-48(55(76)82-7)37-64-52(73)42-19-26-49-43(35-42)36-65-70(49)34-12-31-63-56-61-29-11-30-62-56/h8-10,13-23,26,35-36,46-48,66,69H,11-12,24-25,27-34,37-38H2,1-7H3,(H,60,74)(H,64,73)(H,67,75)(H,68,77)(H2,61,62,63)/t46-,47-,48-/m0/s1