EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1C[C@@H]([C@@]2([C@@H]1[C@@H]3C[C@H]4[C@@]5(O4)C[C@@H](CC[C@@]5([C@@H]3CC2)C)OC(=O)C)C)C(=O)C
InChI: InChI=1S/C24H36O4/c1-13-10-19(14(2)25)22(4)8-7-18-17(21(13)22)11-20-24(28-20)12-16(27-15(3)26)6-9-23(18,24)5/h13,16-21H,6-12H2,1-5H3/t13-,16+,17+,18+,19+,20-,21-,22+,23+,24-/m0/s1
SMILES: C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)Cl)C)C)(C)C)C(=O)O
InChI: InChI=1S/C30H49ClO2/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h19-23H,8-18H2,1-7H3,(H,32,33)/t19-,20+,21+,22-,23-,27+,28-,29-,30+/m1/s1
SMILES: CC[C@@H](C)C(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)[C@]4([C@H](O4)C)C
InChI: InChI=1S/C24H28O8/c1-7-12(2)21(26)29-19-17-15(10-8-14-9-11-16(25)28-18(14)17)32-23(4,5)20(19)30-22(27)24(6)13(3)31-24/h8-13,19-20H,7H2,1-6H3/t12-,13-,19-,20-,24-/m1/s1
SMILES: CCN1C(=O)[C@@H]2[C@H](N(O[C@H]2C1=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C20H20N2O4/c1-3-21-19(23)16-17(13-9-11-15(25-2)12-10-13)22(26-18(16)20(21)24)14-7-5-4-6-8-14/h4-12,16-18H,3H2,1-2H3/t16-,17-,18-/m1/s1
SMILES: CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)P(=O)(O)OCC(F)(F)F
InChI: InChI=1S/C40H52F3N6O9PS/c1-8-23-18-39(23,59(53,54)56-21-40(41,42)43)48-34(50)31-16-26(19-49(31)35(51)33(38(4,5)6)47-37(52)58-24-11-9-10-12-24)57-32-17-29(30-20-60-36(46-30)44-22(2)3)45-28-15-25(55-7)13-14-27(28)32/h8,13-15,17,20,22-24,26,31,33H,1,9-12,16,18-19,21H2,2-7H3,(H,44,46)(H,47,52)(H,48,50)(H,53,54)/t23-,26-,31+,33-,39+/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)C(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C42H64Cl3N3O13/c1-7-8-9-10-11-12-13-14-15-16-20-23-33(51)47-31(37(52)55-25-30-21-18-17-19-22-30)26-56-38-34(48-40(54)57-27-42(43,44)45)36(59-29(3)50)35(58-28(2)49)32(60-38)24-46-39(53)61-41(4,5)6/h17-19,21-22,31-32,34-36,38H,7-16,20,23-27H2,1-6H3,(H,46,53)(H,47,51)(H,48,54)/t31-,32+,34+,35+,36+,38+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CN=C(C=C2)Cl
InChI: InChI=1S/C16H21ClN2O3/c1-10-5-3-4-6-13(10)19-15(20)11(2)22-16(21)12-7-8-14(17)18-9-12/h7-11,13H,3-6H2,1-2H3,(H,19,20)/t10-,11+,13+/m0/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O
InChI: InChI=1S/C11H21NO8/c13-2-4-7(16)10(5(14)1-12-4)20-11-9(18)8(17)6(15)3-19-11/h4-18H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-/m1/s1
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC(=O)CC(=O)O
InChI: InChI=1S/C33H50O6/c1-28(2)14-16-33(27(37)38)17-15-31(6)20(21(33)19-28)8-9-23-30(5)12-11-24(39-26(36)18-25(34)35)29(3,4)22(30)10-13-32(23,31)7/h8,21-24H,9-19H2,1-7H3,(H,34,35)(H,37,38)/t21?,22?,23?,24-,30-,31+,32+,33-/m0/s1
SMILES: CC1=CCCC2[C@@]1(CCC3[C@@]2(CC[C@@]4([C@@]3(CC[C@]5(C4CC[C@@H]5C(C)C)C)C)C)C)C
InChI: InChI=1S/C30H50/c1-20(2)22-12-13-24-27(22,5)16-18-30(8)25-14-15-26(4)21(3)10-9-11-23(26)28(25,6)17-19-29(24,30)7/h10,20,22-25H,9,11-19H2,1-8H3/t22-,23?,24?,25?,26-,27-,28-,29+,30-/m1/s1
SMILES: CCC[C@]12CCC[C@@H]3[C@H]1C4=C(C[C@H]3N)C5=CC(=C(C=C5N4C(=O)C2)O)O
InChI: InChI=1S/C21H26N2O3/c1-2-5-21-6-3-4-11-14(22)7-13-12-8-16(24)17(25)9-15(12)23(18(26)10-21)20(13)19(11)21/h8-9,11,14,19,24-25H,2-7,10,22H2,1H3/t11-,14+,19-,21+/m0/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H]([C@@H]4C[C@H](CO3)ON4C5=CC=CC=C5)O[C@@H]2O1)C
InChI: InChI=1S/C17H21NO5/c1-17(2)21-15-14-13(20-16(15)22-17)12-8-11(9-19-14)23-18(12)10-6-4-3-5-7-10/h3-7,11-16H,8-9H2,1-2H3/t11-,12+,13-,14+,15-,16-/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O
InChI: InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2/t8-,25-,26-,27-,34+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O[C@@H]5CCCCO5)C
InChI: InChI=1S/C24H36O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h6,17-20,22H,3-5,7-15H2,1-2H3/t17-,18+,19-,20+,22+,23-,24-/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5)Cl)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)Cl)Cl
InChI: InChI=1S/C28H22Cl4N2O6/c1-33-25(38)27(31)11-17-15(21(28(27,32)26(33)39)12-9-18(30)22(35)19(10-12)40-2)7-8-16-20(17)24(37)34(23(16)36)14-5-3-13(29)4-6-14/h3-7,9-10,16-17,20-21,35H,8,11H2,1-2H3/t16-,17+,20-,21-,27+,28-/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(C)S(=O)(=O)C5=CC=C(C=C5)NC(=O)C)OCC=C
InChI: InChI=1S/C53H80N4O10S/c1-8-10-11-12-13-14-15-16-17-20-31-54-51(61)65-41-27-30-47-45(36-41)49-43(24-19-22-33-59)39(23-18-21-32-58)35-44-46(56-67-52(4,5)6)37-48(53(66-47,50(44)49)64-34-9-2)57(7)68(62,63)42-28-25-40(26-29-42)55-38(3)60/h9,25-30,35-36,39,43,48-50,58-59H,2,8,10-24,31-34,37H2,1,3-7H3,(H,54,61)(H,55,60)/t39-,43+,48-,49+,50+,53+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)CC(C[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@@](CC7)(OO8)C)C)C)CO)C
InChI: InChI=1S/C34H54O9/c1-18-7-9-25-20(3)27(36-29-33(25)23(18)11-13-31(5,38-29)40-42-33)15-22(17-35)16-28-21(4)26-10-8-19(2)24-12-14-32(6)39-30(37-28)34(24,26)43-41-32/h18-30,35H,7-17H2,1-6H3/t18-,19-,20-,21-,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34-/m1/s1
SMILES: C[C@H]1[C@H]2C[C@H](C2(C)C)C[C@@H]1O[C@H]3CC(=O)CC[C@@]34C=CC(=O)O4
InChI: InChI=1S/C19H26O4/c1-11-14-8-12(18(14,2)3)9-15(11)22-16-10-13(20)4-6-19(16)7-5-17(21)23-19/h5,7,11-12,14-16H,4,6,8-10H2,1-3H3/t11-,12-,14+,15-,16-,19+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC(=C4)C5=NN(C(=N5)N)CCO)C(=O)[O-]
InChI: InChI=1S/C23H24N10O6S2/c1-39-30-14(13-10-41-23(25)26-13)18(35)27-15-19(36)33-16(21(37)38)12(9-40-20(15)33)8-31-4-2-3-11(7-31)17-28-22(24)32(29-17)5-6-34/h2-4,7,10,15,20,34H,5-6,8-9H2,1H3,(H5-,24,25,26,27,28,29,35,37,38)/b30-14-/t15-,20-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)NC5=CC(=C(C=C5)C)C)C)C)C(C)C
InChI: InChI=1S/C41H63NO3/c1-9-30(26(2)3)12-10-28(5)35-16-17-36-34-15-13-31-25-33(20-22-40(31,7)37(34)21-23-41(35,36)8)45-39(44)19-18-38(43)42-32-14-11-27(4)29(6)24-32/h11,13-14,24,26,28,30,33-37H,9-10,12,15-23,25H2,1-8H3,(H,42,43)/t28-,30-,33+,34+,35-,36+,37+,40+,41-/m1/s1
SMILES: C[C@]12C=C[C@](O1)([C@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C
InChI: InChI=1S/C16H14N2O5/c1-15-6-7-16(2,23-15)12-11(15)13(19)17(14(12)20)9-4-3-5-10(8-9)18(21)22/h3-8,11-12H,1-2H3/t11-,12-,15-,16+/m0/s1
SMILES: COC1=CC2=C(C=C1)C(=O)[C@@H]3[C@H](O2)COC4=CC=CC=C34
InChI: InChI=1S/C17H14O4/c1-19-10-6-7-12-14(8-10)21-15-9-20-13-5-3-2-4-11(13)16(15)17(12)18/h2-8,15-16H,9H2,1H3/t15-,16+/m1/s1
SMILES: CC1=C(C[C@@H]([C@@H](C1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl)C(=O)[O-])C
InChI: InChI=1S/C17H19ClN2O4/c1-9-6-13(14(17(23)24)7-10(9)2)16(22)20-19-15(21)11-4-3-5-12(18)8-11/h3-5,8,13-14H,6-7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t13-,14+/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C=CC8=CC(=C(C(=C8)OC)O)OC)C(=O)N(C7=O)C9=CC=C(C=C9)C=C)C
InChI: InChI=1S/C46H41ClN4O7S/c1-7-24-8-12-27(13-9-24)50-42(53)29-15-14-28-31(39(29)44(50)55)21-33-43(54)51(38-22-34(48-49(38)4)41-23(2)30-20-26(47)11-17-37(30)59-41)45(56)46(33,3)32(28)16-10-25-18-35(57-5)40(52)36(19-25)58-6/h7-14,16-20,22,29,31-33,39,52H,1,15,21H2,2-6H3/t29-,31+,32-,33-,39-,46-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)CCNC(=NCC9=CC=C(C=C9)[N+](=O)[O-])N
InChI: InChI=1S/C36H38N6O5/c37-34(39-18-21-3-7-24(8-4-21)42(45)46)38-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(47-32)31(26)40-27)12-14-41(29)19-22-1-2-22/h3-10,15,22,29,33,40,43-44H,1-2,11-14,16-19H2,(H3,37,38,39)/t29-,33+,35+,36-/m1/s1
SMILES: C[C@@H]1CCOC(/C=C/C=C\C(=O)OC2C[C@@H]3[C@]4([C@]2([C@]5(C[C@H]([C@@]6([C@H]([C@H]5O3)O6)C)O)COC(=O)[C@H]1O)C)CO4)O
InChI: InChI=1S/C27H36O11/c1-14-8-9-33-18(29)6-4-5-7-19(30)36-16-10-17-27(13-35-27)25(16,3)26(12-34-23(32)20(14)31)11-15(28)24(2)21(38-24)22(26)37-17/h4-7,14-18,20-22,28-29,31H,8-13H2,1-3H3/b6-4+,7-5-/t14-,15-,16?,17-,18?,20+,21+,22-,24-,25-,26-,27+/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)CC8=CC=CC=C8)O
InChI: InChI=1S/C42H35ClN2O5/c1-2-11-26-14-9-19-32(37(26)46)36-30-20-21-31-35(40(49)44(38(31)47)24-25-12-5-3-6-13-25)33(30)23-34-39(48)45(29-18-10-17-28(43)22-29)41(50)42(34,36)27-15-7-4-8-16-27/h2-10,12-20,22,31,33-36,46H,1,11,21,23-24H2/t31-,33+,34-,35-,36+,42+/m0/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@H]4C=CC=NN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C23H17FN4O5/c1-12-4-9-15(28(32)33)11-17(12)26-22(30)18-16-3-2-10-25-27(16)20(19(18)23(26)31)21(29)13-5-7-14(24)8-6-13/h2-11,16,18-20H,1H3/t16-,18-,19-,20+/m1/s1
SMILES: C1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CSS1)C(=O)N[C@@H](CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)NCC(=O)N)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
InChI: InChI=1S/C37H50N8O14S2/c38-21(10-19-6-8-20(47)9-7-19)32(53)44-24-16-60-61-17-25(45-35(56)22(11-18-4-2-1-3-5-18)42-28(49)13-41-34(24)55)36(57)43-23(33(54)40-12-27(39)48)15-58-37-31(52)30(51)29(50)26(14-46)59-37/h1-9,21-26,29-31,37,46-47,50-52H,10-17,38H2,(H2,39,48)(H,40,54)(H,41,55)(H,42,49)(H,43,57)(H,44,53)(H,45,56)/t21-,22-,23-,24+,25+,26+,29+,30-,31+,37-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C(Cl)(Cl)Cl)CSC5=NC(=C(O5)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C43H37Cl3N2O5S/c1-27-36(26-54-42-48-37(30-10-4-2-5-11-30)39(53-42)31-12-6-3-7-13-31)51-40(52-38(27)32-18-16-28(25-49)17-19-32)33-22-20-29(21-23-33)35-15-9-8-14-34(35)24-47-41(50)43(44,45)46/h2-23,27,36,38,40,49H,24-26H2,1H3,(H,47,50)/t27-,36+,38+,40+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H](CC3=C(O2)C(=C(C=C3OC)OC)CC4=CC=CC=C4)O)OC
InChI: InChI=1S/C26H28O6/c1-28-21-11-10-17(13-24(21)31-4)25-20(27)14-19-23(30-3)15-22(29-2)18(26(19)32-25)12-16-8-6-5-7-9-16/h5-11,13,15,20,25,27H,12,14H2,1-4H3/t20-,25+/m0/s1
SMILES: C1CCC(CC1)C(=O)N[C@H]2C[C@@H]3C(=O)N[C@H]4CCN([C@@H]4C(=O)N3C2)C(=O)CC5=CC=CS5
InChI: InChI=1S/C23H30N4O4S/c28-19(12-16-7-4-10-32-16)26-9-8-17-20(26)23(31)27-13-15(11-18(27)22(30)25-17)24-21(29)14-5-2-1-3-6-14/h4,7,10,14-15,17-18,20H,1-3,5-6,8-9,11-13H2,(H,24,29)(H,25,30)/t15-,17-,18+,20-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
InChI: InChI=1S/C27H29NO11.C20H28O2/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b;9-6+,12-11+,15-8+,16-14+/t10-,13-,15-,17-,22+,27-;/m0./s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC=C(C=C5)C=CC(=O)N(C)C)C(=O)NCC6=CC(=CC=C6)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C49H68N4O11/c1-8-10-12-25-48(26-13-11-9-2)62-40-37-28-49(46(59)50-29-34-15-14-16-35(27-34)44(57)51-36(31-54)22-24-39(56)61-47(3,4)5)42(45(58)60-37)53(64-43(49)41(40)63-48)30-33-19-17-32(18-20-33)21-23-38(55)52(6)7/h14-21,23,27,36-37,40-43,54H,8-13,22,24-26,28-31H2,1-7H3,(H,50,59)(H,51,57)/t36-,37+,40-,41-,42+,43+,49+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H](CN1CC2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI: InChI=1S/C23H30N2O2/c1-17(24-22(26)27-23(2,3)4)21-20(19-13-9-6-10-14-19)16-25(21)15-18-11-7-5-8-12-18/h5-14,17,20-21H,15-16H2,1-4H3,(H,24,26)/t17-,20+,21-/m1/s1
SMILES: CCN(CC)C(=O)[C@H]1[C@@H](O1)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C14H16F3NO5S/c1-3-18(4-2)13(19)12-11(22-12)9-5-7-10(8-6-9)23-24(20,21)14(15,16)17/h5-8,11-12H,3-4H2,1-2H3/t11-,12+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Cl)O)C(=O)N(C4=O)C6=CC=C(C=C6)Br)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C33H24BrCl2FN2O5/c1-33-23(30(42)39(32(33)44)18-7-10-25(37)24(36)13-18)14-21-19(28(33)22-12-16(35)4-11-26(22)40)8-9-20-27(21)31(43)38(29(20)41)17-5-2-15(34)3-6-17/h2-8,10-13,20-21,23,27-28,40H,9,14H2,1H3/t20-,21+,23-,27-,28+,33+/m0/s1
SMILES: C[C@H]1C(=C([C@H]2C#C/C=C\C#C[C@H]3[C@]14[C@]2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)OC)C(=O)OC
InChI: InChI=1S/C31H21NO9/c1-13-20(29(38)40-3)28(39-2)14-8-6-4-5-7-9-19-30(13)31(14,41-30)15-12-18(35)23-24(25(15)32-19)27(37)22-17(34)11-10-16(33)21(22)26(23)36/h4-5,10-14,19,32-35H,1-3H3/b5-4-/t13-,14+,19-,30-,31+/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)C)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C30H23NO7/c1-3-37-29(36)18-12-10-17(11-13-18)24-22-23(28(35)31(27(22)34)19-14-8-16(2)9-15-19)30(38-24)25(32)20-6-4-5-7-21(20)26(30)33/h4-15,22-24H,3H2,1-2H3/t22-,23-,24+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@@](NC2=O)(CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H29N3O3/c1-18-10-8-9-15-21(18)26-22(29)17-28-23(30)25(27-24(28)31,20-13-6-3-7-14-20)16-19-11-4-2-5-12-19/h2-7,11-14,18,21H,8-10,15-17H2,1H3,(H,26,29)(H,27,31)/t18-,21+,25-/m1/s1
SMILES: CCNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CSC5=NC=CC=N5
InChI: InChI=1S/C33H36N4O4S/c1-3-34-32(39)37-19-27-7-4-5-8-28(27)24-13-15-26(16-14-24)31-40-29(21-42-33-35-17-6-18-36-33)22(2)30(41-31)25-11-9-23(20-38)10-12-25/h4-18,22,29-31,38H,3,19-21H2,1-2H3,(H2,34,37,39)/t22-,29+,30+,31+/m1/s1
SMILES: C[C@@H]1C[C@H]([C@@]2([C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC=C2COC(=O)C)CO)O
InChI: InChI=1S/C22H28O7/c1-13-8-19(25)22(12-23)16(11-28-14(2)24)4-3-5-18(22)21(13)9-17(29-20(21)26)15-6-7-27-10-15/h4,6-7,10,13,17-19,23,25H,3,5,8-9,11-12H2,1-2H3/t13-,17+,18-,19-,21-,22+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl
InChI: InChI=1S/C16H16ClNO2S/c1-9-5-13(9)16(19)20-8-11-6-10-3-4-12(21-2)7-14(10)18-15(11)17/h3-4,6-7,9,13H,5,8H2,1-2H3/t9-,13+/m1/s1
SMILES: C1=CC=C(C=C1)COC(=O)C(N2[C@@H]([C@@H](C2=O)NC(=O)COC3=CC=CC=C3)OCCOC(=O)COC4=CC=CC=C4)Cl
InChI: InChI=1S/C30H29ClN2O9/c31-27(30(37)42-18-21-10-4-1-5-11-21)33-28(36)26(32-24(34)19-40-22-12-6-2-7-13-22)29(33)39-17-16-38-25(35)20-41-23-14-8-3-9-15-23/h1-15,26-27,29H,16-20H2,(H,32,34)/t26-,27?,29-/m1/s1
SMILES: CCCCCC(=O)O[C@@H]1[C@@H]([C@@H](C/C(=C/C(=O)OC)/C2(COC3=C2C1=CC4=C3OCO4)C(=O)C(=O)OC)C)C
InChI: InChI=1S/C28H34O10/c1-6-7-8-9-20(29)38-23-16(3)15(2)10-17(11-21(30)33-4)28(26(31)27(32)34-5)13-35-25-22(28)18(23)12-19-24(25)37-14-36-19/h11-12,15-16,23H,6-10,13-14H2,1-5H3/b17-11-/t15-,16-,23-,28?/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)O[C@@H]([C@@]2(CC3=CC(=NC(=N3)OC)OC)O)COC(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C22H26N2O8/c1-21(2)31-17-19(32-21)30-15(12-29-18(25)13-8-6-5-7-9-13)22(17,26)11-14-10-16(27-3)24-20(23-14)28-4/h5-10,15,17,19,26H,11-12H2,1-4H3/t15-,17+,19-,22-/m1/s1
SMILES: C=CCN1C(=O)[C@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@H]2CCCCC4)C(=O)NC1=S
InChI: InChI=1S/C20H22N4O4S/c1-2-9-23-18(26)20(17(25)21-19(23)29)12-13-11-14(24(27)28)7-8-15(13)22-10-5-3-4-6-16(20)22/h2,7-8,11,16H,1,3-6,9-10,12H2,(H,21,25,29)/t16-,20-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C[NH2+][C@@H](C2=CC=CC=C2)C3=CC=CS3
InChI: InChI=1S/C21H28N2OS/c1-15-8-6-11-18(16(15)2)23-20(24)14-22-21(19-12-7-13-25-19)17-9-4-3-5-10-17/h3-5,7,9-10,12-13,15-16,18,21-22H,6,8,11,14H2,1-2H3,(H,23,24)/p+1/t15-,16+,18+,21-/m0/s1
SMILES: CN1C(=O)N[C@@H]([C@H]([C@@]1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H19F3N2O4/c1-25-18(27)24-16(12-8-10-14(29-2)11-9-12)15(19(25,28)20(21,22)23)17(26)13-6-4-3-5-7-13/h3-11,15-16,28H,1-2H3,(H,24,27)/t15-,16+,19-/m0/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC(=CC=C1)C2=CC(=CC=C2)[C@@H]3O[C@@H]([C@@H]([C@@H](O3)C4=CC=C(C=C4)CO)C)CN5CCCCCCC5
InChI: InChI=1S/C38H49N3O6/c1-3-45-35(43)24-40-38(44)39-23-29-11-9-12-31(21-29)32-13-10-14-33(22-32)37-46-34(25-41-19-7-5-4-6-8-20-41)27(2)36(47-37)30-17-15-28(26-42)16-18-30/h9-18,21-22,27,34,36-37,42H,3-8,19-20,23-26H2,1-2H3,(H2,39,40,44)/t27-,34+,36+,37+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=CC=CC=C5)CN6C=NC(=C6Cl)Cl
InChI: InChI=1S/C36H33Cl2N3O4/c1-23-31(20-41-22-40-33(37)34(41)38)44-36(45-32(23)26-15-13-24(21-42)14-16-26)30-12-6-11-29(18-30)28-10-5-7-25(17-28)19-39-35(43)27-8-3-2-4-9-27/h2-18,22-23,31-32,36,42H,19-21H2,1H3,(H,39,43)/t23-,31+,32+,36+/m0/s1
SMILES: COC1O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=C(N=C43)SC)N)CO
InChI: InChI=1S/C13H17N5O5S/c1-20-13-22-7-5(3-19)21-11(8(7)23-13)18-4-15-6-9(14)16-12(24-2)17-10(6)18/h4-5,7-8,11,13,19H,3H2,1-2H3,(H2,14,16,17)/t5-,7-,8-,11-,13?/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI: InChI=1S/C21H25NO2/c1-15-7-6-10-20(16(15)2)22-21(23)17-11-13-19(14-12-17)24-18-8-4-3-5-9-18/h3-5,8-9,11-16,20H,6-7,10H2,1-2H3,(H,22,23)/t15-,16+,20-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](NC(=O)N[C@]2(C(F)(F)F)O)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C18H14ClF3N2O3/c19-12-8-4-7-11(9-12)14-13(15(25)10-5-2-1-3-6-10)17(27,18(20,21)22)24-16(26)23-14/h1-9,13-14,27H,(H2,23,24,26)/t13-,14+,17-/m0/s1
SMILES: C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2([C@]1(C(=O)CCl)OC(=O)C5CCCO5)C)O)Cl)C
InChI: InChI=1S/C27H34Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h8-9,12,15,18-21,31H,4-7,10-11,13-14H2,1-3H3/t15-,18?,19?,20?,21?,24?,25?,26?,27+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CSCCO
InChI: InChI=1S/C39H48N2O5S/c1-25-35(24-47-13-12-42)45-37(46-36(25)31-10-8-26(23-43)9-11-31)34-7-3-6-33(18-34)32-5-2-4-27(17-32)22-40-38(44)41-39-19-28-14-29(20-39)16-30(15-28)21-39/h2-11,17-18,25,28-30,35-37,42-43H,12-16,19-24H2,1H3,(H2,40,41,44)/t25-,28?,29?,30?,35+,36+,37+,39?/m0/s1
SMILES: C[C@]1([C@@H](N(C2=C1C=C(C=C2)OC)C(=O)OCC3=CC=CC=C3)[C@H](C=C)O)CCNC
InChI: InChI=1S/C24H30N2O4/c1-5-21(27)22-24(2,13-14-25-3)19-15-18(29-4)11-12-20(19)26(22)23(28)30-16-17-9-7-6-8-10-17/h5-12,15,21-22,25,27H,1,13-14,16H2,2-4H3/t21-,22-,24-/m0/s1
SMILES: C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@H]1C(=C)CCC2[C@@]1(CCCC2(C)C)C
InChI: InChI=1S/C26H42O2/c1-19(10-8-11-20(2)18-24(27)28-7)12-14-22-21(3)13-15-23-25(4,5)16-9-17-26(22,23)6/h10,18,22-23H,3,8-9,11-17H2,1-2,4-7H3/b19-10+,20-18+/t22-,23?,26+/m0/s1
SMILES: C1=CC=C(C=C1)CCCN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO
InChI: InChI=1S/C15H23NO4/c17-9-11-12(14(19)15(20)13(11)18)16-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-20H,4,7-9H2/t11-,12+,13+,14-,15-/m0/s1
SMILES: CC1=C(C2=CC=CC=C2N1)[C@@H]3[C@@H](C3(C)C)CC(=O)N(CC4=CC=CO4)C(C)(C)C(=O)NC5=CC=C(C=C5)OC
InChI: InChI=1S/C32H37N3O4/c1-20-28(24-11-7-8-12-26(24)33-20)29-25(31(29,2)3)18-27(36)35(19-23-10-9-17-39-23)32(4,5)30(37)34-21-13-15-22(38-6)16-14-21/h7-17,25,29,33H,18-19H2,1-6H3,(H,34,37)/t25-,29-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N2C=NNC2=S)CO)O)O
InChI: InChI=1S/C10H16N4O5S/c1-4(16)12-6-8(18)7(17)5(2-15)19-9(6)14-3-11-13-10(14)20/h3,5-9,15,17-18H,2H2,1H3,(H,12,16)(H,13,20)/t5-,6-,7-,8-,9-/m1/s1
SMILES: C1=CC(=CC(=C1)N/N=C/[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)C(F)(F)F
InChI: InChI=1S/C13H15F3N2O4/c14-13(15,16)7-2-1-3-8(4-7)18-17-5-9-11(20)12(21)10(6-19)22-9/h1-5,9-12,18-21H,6H2/b17-5+/t9-,10-,11-,12-/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@@H](C(=O)NC(=O)[C@H]2[N+]3=CC=CC=C3)C#N)O
InChI: InChI=1S/C18H15N3O4/c1-25-14-9-11(5-6-13(14)22)15-12(10-19)17(23)20-18(24)16(15)21-7-3-2-4-8-21/h2-9,12,15-16H,1H3,(H-,20,22,23,24)/p+1/t12-,15+,16-/m0/s1
SMILES: CCOP(=O)(C(C1=CC=C(C=C1)C[C@H]2C(=O)O[C@@H]([C@@H](N2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)(F)F)OCC
InChI: InChI=1S/C36H36F2NO7P/c1-3-44-47(42,45-4-2)36(37,38)30-22-20-26(21-23-30)24-31-34(40)46-33(29-18-12-7-13-19-29)32(28-16-10-6-11-17-28)39(31)35(41)43-25-27-14-8-5-9-15-27/h5-23,31-33H,3-4,24-25H2,1-2H3/t31-,32-,33+/m0/s1
SMILES: COC1=CC=CC=C1NC(=O)[C@H]2[C@@H](OC(=O)O2)CCC3=CC=CC=C3
InChI: InChI=1S/C19H19NO5/c1-23-15-10-6-5-9-14(15)20-18(21)17-16(24-19(22)25-17)12-11-13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3,(H,20,21)/t16-,17+/m0/s1
SMILES: CCOC(=O)C1=C(O[C@]2([C@@H]1[C@@H](C(=O)O2)C(=O)OC)C)C3=CC=CC=C3
InChI: InChI=1S/C18H18O7/c1-4-23-16(20)11-13-12(15(19)22-3)17(21)25-18(13,2)24-14(11)10-8-6-5-7-9-10/h5-9,12-13H,4H2,1-3H3/t12-,13+,18-/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)NC4=O)O
InChI: InChI=1S/C33H27ClFN3O6/c1-44-20-10-11-22(26(39)14-20)28-21-12-13-23-27(30(41)36-29(23)40)24(21)15-25-31(42)38(37-19-8-6-18(35)7-9-19)32(43)33(25,28)16-2-4-17(34)5-3-16/h2-12,14,23-25,27-28,37,39H,13,15H2,1H3,(H,36,40,41)/t23-,24+,25-,27-,28+,33+/m0/s1
SMILES: C[C@H]1C[C@@H]2[C@](CCC(=O)N2C)([C@@H]3C1[C@@H]4C[C@@H](C[C@]4(CC3)C)C#N)C
InChI: InChI=1S/C21H32N2O/c1-13-9-17-21(3,8-6-18(24)23(17)4)15-5-7-20(2)11-14(12-22)10-16(20)19(13)15/h13-17,19H,5-11H2,1-4H3/t13-,14-,15-,16-,17+,19?,20+,21+/m0/s1
SMILES: CC#C[C@]1([C@H](O[C@H]2[C@@H]1OC(O2)(C)C)COC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C18H20O6/c1-4-10-18(20)13(22-16-14(18)23-17(2,3)24-16)11-21-15(19)12-8-6-5-7-9-12/h5-9,13-14,16,20H,11H2,1-3H3/t13-,14+,16-,18-/m1/s1
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)CC5)CCC(=O)OC)C)C)C=C)C
InChI: InChI=1S/C34H38N4O2/c1-8-21-17(3)26-14-28-20(6)24(12-13-32(39)40-7)34(37-28)25-11-10-23-19(5)29(38-33(23)25)16-31-22(9-2)18(4)27(36-31)15-30(21)35-26/h8,14-16,20,24,35-36H,1,9-13H2,2-7H3/t20-,24-/m0/s1
SMILES: CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.Cl.Cl
InChI: InChI=1S/C19H21NO4.C17H23NO2.C6H8O7.2ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h2-4,14,17,21,23H,1,5-10H2;5-8,10-12,15H,4,9,13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H/t14-,17+,18+,19-;15-,17+;;;/m11.../s1
SMILES: CC(C)(C1CCC(CC1)C(=O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
InChI: InChI=1S/C31H36O14/c1-31(2,41)15-6-3-13(4-7-15)29(40)42-12-21-23(36)25(38)26(39)30(44-21)45-28-24(37)22-19(35)10-16(32)11-20(22)43-27(28)14-5-8-17(33)18(34)9-14/h5,8-11,13,15,21,23,25-26,30,32-36,38-39,41H,3-4,6-7,12H2,1-2H3/t13?,15?,21-,23+,25+,26-,30+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)P(=O)(O)O)O)O
InChI: InChI=1S/C11H19N5O14P4/c12-9-8-10(14-3-13-9)16(4-15-8)7-1-5(17)6(29-7)2-28-34(26,27)30-33(24,25)11(31(18,19)20)32(21,22)23/h3-7,11,17H,1-2H2,(H,24,25)(H,26,27)(H2,12,13,14)(H2,18,19,20)(H2,21,22,23)/t5-,6+,7+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H](C=C1C(=O)NCCO)OC2=CC=CC=C2I)O)NCCC3=CC(=CC=C3)F
InChI: InChI=1S/C23H26FIN2O4/c24-17-5-3-4-15(12-17)8-9-26-19-13-16(23(30)27-10-11-28)14-21(22(19)29)31-20-7-2-1-6-18(20)25/h1-7,12,14,19,21-22,26,28-29H,8-11,13H2,(H,27,30)/t19-,21+,22+/m1/s1
SMILES: C=CC1=CC[C@]2(C(=O)N(C(=O)[C@]2([C@H]1C3=CC=CC=C3O)Cl)C4=CC=C(C=C4)F)Cl
InChI: InChI=1S/C22H16Cl2FNO3/c1-2-13-11-12-21(23)19(28)26(15-9-7-14(25)8-10-15)20(29)22(21,24)18(13)16-5-3-4-6-17(16)27/h2-11,18,27H,1,12H2/t18-,21-,22+/m1/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC(=CC=C1)C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C41H47N5O8/c1-3-52-38(48)25-43-41(49)42-24-30-5-4-6-34(23-30)31-11-13-33(14-12-31)40-53-37(28(2)39(54-40)32-9-7-29(27-47)8-10-32)26-44-19-21-45(22-20-44)35-15-17-36(18-16-35)46(50)51/h4-18,23,28,37,39-40,47H,3,19-22,24-27H2,1-2H3,(H2,42,43,49)/t28-,37+,39+,40+/m1/s1
SMILES: C1=C(C=NN1C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@H]([C@H](O4)CO)O)O)N)C(=O)O
InChI: InChI=1S/C14H15N7O6/c15-10-7-11(19-14(18-10)21-2-5(1-17-21)13(25)26)20(4-16-7)12-9(24)8(23)6(3-22)27-12/h1-2,4,6,8-9,12,22-24H,3H2,(H,25,26)(H2,15,18,19)/t6-,8+,9-,12-/m1/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC=CC(=C2)NC(=O)C)C(=O)[O-])C
InChI: InChI=1S/C18H22N2O4/c1-10-7-15(16(18(23)24)8-11(10)2)17(22)20-14-6-4-5-13(9-14)19-12(3)21/h4-6,9,15-16H,7-8H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t15-,16-/m0/s1