EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC
InChI: InChI=1S/C22H29NO5/c1-14-6-5-7-19(15(14)2)23-21(25)16(3)28-20(24)13-10-17-8-11-18(12-9-17)22(26)27-4/h8-16,19H,5-7H2,1-4H3,(H,23,25)/b13-10+/t14-,15-,16-,19+/m1/s1
SMILES: C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@H](CC2=O)O
InChI: InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)17(18)15(20)9-16(18)21/h8,14-15,17,20H,2-7,9H2,1H3/t14-,15+,17-,18-/m1/s1
SMILES: CCN(CC)C(=O)[C@H]1[C@@H]2C[C@](NC1=O)(OC3=CC=CC=C23)C
InChI: InChI=1S/C17H22N2O3/c1-4-19(5-2)16(21)14-12-10-17(3,18-15(14)20)22-13-9-7-6-8-11(12)13/h6-9,12,14H,4-5,10H2,1-3H3,(H,18,20)/t12-,14+,17-/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(C(=O)CC5C4CC[C@@H]6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)OC1
InChI: InChI=1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21?,22?,23?,24?,26?,27+,28-,29-/m1/s1
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C20H28N2O5S/c23-19(17-7-3-4-8-18(17)20(24)25)21-15-9-11-16(12-10-15)28(26,27)22-13-5-1-2-6-14-22/h9-12,17-18H,1-8,13-14H2,(H,21,23)(H,24,25)/t17-,18+/m1/s1
SMILES: C[C@]12CCCC(C1CC[C@@]3([C@@H]2CC[C@]4(C3CC=C5[C@@H]4[C@@H](OC5)O)C)C)(C)C
InChI: InChI=1S/C25H40O2/c1-22(2)11-6-12-23(3)17(22)9-13-24(4)18-8-7-16-15-27-21(26)20(16)25(18,5)14-10-19(23)24/h7,17-21,26H,6,8-15H2,1-5H3/t17?,18?,19-,20-,21-,23+,24+,25+/m1/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1CC4=CC=CC=N4)C(=O)O
InChI: InChI=1S/C15H14N2O4/c18-13-12-11(14(19)20)10-4-5-15(12,21-10)8-17(13)7-9-3-1-2-6-16-9/h1-6,10-12H,7-8H2,(H,19,20)/t10-,11+,12-,15-/m1/s1
SMILES: CCCC1(C(=O)N(C(=O)N1)CC(=O)NNC(=S)N[C@H]2CCC[C@@H]([C@@H]2C)C)CCC
InChI: InChI=1S/C20H35N5O3S/c1-5-10-20(11-6-2)17(27)25(19(28)22-20)12-16(26)23-24-18(29)21-15-9-7-8-13(3)14(15)4/h13-15H,5-12H2,1-4H3,(H,22,28)(H,23,26)(H2,21,24,29)/t13-,14-,15-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](ON2[C@@H]1O[C@H]3[C@@H]2[C@@H]4CC[C@]3(C4(C)C)C)CCCC[C@@H](C)C/C(=C/I)/C
InChI: InChI=1S/C26H42INO4/c1-7-30-24(29)20-19(11-9-8-10-16(2)14-17(3)15-27)32-28-21-18-12-13-26(6,25(18,4)5)22(21)31-23(20)28/h15-16,18-23H,7-14H2,1-6H3/b17-15+/t16-,18+,19-,20-,21+,22+,23-,26-/m1/s1
SMILES: CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C23H25NO6/c1-3-14-8-9-16-15(11-20(25)30-19(16)10-14)12-29-23(28)13(2)24-21(26)17-6-4-5-7-18(17)22(24)27/h8-11,13,17-18H,3-7,12H2,1-2H3/t13-,17+,18+/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3[NH+](CC2=O)CC4=CC=C(C=C4)F
InChI: InChI=1S/C20H21FN2O3S/c1-14-2-8-17(9-3-14)23-19-13-27(25,26)12-18(19)22(11-20(23)24)10-15-4-6-16(21)7-5-15/h2-9,18-19H,10-13H2,1H3/p+1/t18-,19-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@@H](CS3)OC4=NC=CC(=N4)N5C=CC(=NC5=O)N)OCC6=CC=CC=C6
InChI: InChI=1S/C36H39N5O4SSi/c1-36(2,3)47(27-15-9-5-10-16-27,28-17-11-6-12-18-28)44-24-30-33(43-23-26-13-7-4-8-14-26)29(25-46-30)45-34-38-21-19-32(40-34)41-22-20-31(37)39-35(41)42/h4-22,29-30,33H,23-25H2,1-3H3,(H2,37,39,42)/t29-,30-,33+/m1/s1
SMILES: C[C@@H]1C[C@]2(O[C@H]([C@@H]([C@@H]1OCOCC[Si](C)(C)C)O2)COCC3=CC=CC=C3)C[C@H]4CCC[C@]5(O4)CC[C@@]6(O5)C(=O)CC[C@H](O6)CCOCC7=CC=C(C=C7)OC
InChI: InChI=1S/C44H64O11Si/c1-32-26-43(53-38(30-49-29-33-10-7-6-8-11-33)41(54-43)40(32)50-31-48-24-25-56(3,4)5)27-37-12-9-20-42(51-37)21-22-44(55-42)39(45)18-17-36(52-44)19-23-47-28-34-13-15-35(46-2)16-14-34/h6-8,10-11,13-16,32,36-38,40-41H,9,12,17-31H2,1-5H3/t32-,36+,37-,38+,40-,41+,42-,43-,44-/m1/s1
SMILES: CCS(=O)[C@@]12CCC[C@@]1([C@@H]3C[C@H]2C=C3)[N+](=O)[O-]
InChI: InChI=1S/C12H17NO3S/c1-2-17(16)12-7-3-6-11(12,13(14)15)9-4-5-10(12)8-9/h4-5,9-10H,2-3,6-8H2,1H3/t9-,10+,11-,12+,17?/m0/s1
SMILES: CC1([C@@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)OC3=NNC(=O)[C@@H]4[C@H]3C4)O)C
InChI: InChI=1S/C17H17N3O4/c1-17(2)14(21)13(11-5-8(7-18)3-4-12(11)24-17)23-16-10-6-9(10)15(22)19-20-16/h3-5,9-10,13-14,21H,6H2,1-2H3,(H,19,22)/t9-,10+,13+,14+/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@H]([C@H](O2)CO)NO)F
InChI: InChI=1S/C9H13FN4O4/c10-6-7(13-17)4(3-15)18-8(6)14-2-1-5(11)12-9(14)16/h1-2,4,6-8,13,15,17H,3H2,(H2,11,12,16)/t4-,6+,7+,8-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]([C@@H]2C(=O)NC3=CC=CC=C3Br)C(=O)O
InChI: InChI=1S/C15H14BrNO3/c16-10-3-1-2-4-11(10)17-14(18)12-8-5-6-9(7-8)13(12)15(19)20/h1-6,8-9,12-13H,7H2,(H,17,18)(H,19,20)/t8-,9+,12+,13+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NS(=O)(=O)C[C@@]23CC[C@@H](C2(C)C)CC3=O
InChI: InChI=1S/C18H31NO3S/c1-12-6-5-7-15(13(12)2)19-23(21,22)11-18-9-8-14(10-16(18)20)17(18,3)4/h12-15,19H,5-11H2,1-4H3/t12-,13-,14-,15+,18-/m1/s1
SMILES: CC([C@H]1C(CC2[C@@]1(CCC3[C@H]2CCC4[C@@]3(CCC([C@@H]4OC(=O)C)N(C)C(=O)C5=CC=CC=C5)C)C)O)N(C)C
InChI: InChI=1S/C33H50N2O4/c1-20(34(5)6)29-28(37)19-26-23-13-14-25-30(39-21(2)36)27(35(7)31(38)22-11-9-8-10-12-22)16-18-32(25,3)24(23)15-17-33(26,29)4/h8-12,20,23-30,37H,13-19H2,1-7H3/t20?,23-,24?,25?,26?,27?,28?,29+,30-,32-,33+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]([C@@H]([C@@H]1N=[N+]=[N-])O[Si](C)(C)C(C)(C)C)C=O
InChI: InChI=1S/C18H37N3O4Si2/c1-17(2,3)26(7,8)24-14-12-23-13(11-22)16(15(14)20-21-19)25-27(9,10)18(4,5)6/h11,13-16H,12H2,1-10H3/t13-,14+,15+,16-/m0/s1
SMILES: CC(=O)CCCC(=O)N(CC1=C(C=C(C=C1)Cl)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C30H32Cl2N2O8/c1-16(37)4-3-5-25(38)34(14-18-6-7-19(31)12-22(18)32)23-13-21(30(40)33-8-9-35)26-20-10-17(15-36)11-24(41-2)28(20)42-29(26)27(23)39/h6-7,10-13,15,23,26-27,29,35,39H,3-5,8-9,14H2,1-2H3,(H,33,40)/t23-,26+,27+,29+/m1/s1
SMILES: C[C@@H](C(=O)OC)N=C[C@H]1[C@H](C(=O)N1C2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI: InChI=1S/C21H22N2O4/c1-14(21(25)27-3)22-13-18-19(15-7-5-4-6-8-15)20(24)23(18)16-9-11-17(26-2)12-10-16/h4-14,18-19H,1-3H3/t14-,18-,19+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@](C4(C)C)(C)O)C)C
InChI: InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)23-13-14-24-22-12-15-26-27(4,5)30(8,31)19-18-29(26,7)25(22)16-17-28(23,24)6/h12,20-21,23-26,31H,9-11,13-19H2,1-8H3/t21-,23-,24+,25+,26+,28-,29-,30-/m1/s1
SMILES: C[NH+]1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC4=C(C(=C3)OC)OCO4
InChI: InChI=1S/C21H19N5O3/c1-26-4-3-13-14(7-22)20(25)21(9-23,10-24)18(15(13)8-26)12-5-16(27-2)19-17(6-12)28-11-29-19/h3,5-6,14-15,18,25H,4,8,11H2,1-2H3/p+1/t14?,15-,18+/m0/s1
SMILES: C1CC(=O)[C@H]2[C@@H](N3C(=NC(=N3)SCC4=CC=CC=C4)NC2=C1)C5=CC(=CC=C5)O
InChI: InChI=1S/C22H20N4O2S/c27-16-9-4-8-15(12-16)20-19-17(10-5-11-18(19)28)23-21-24-22(25-26(20)21)29-13-14-6-2-1-3-7-14/h1-4,6-10,12,19-20,27H,5,11,13H2,(H,23,24,25)/t19-,20-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)CCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI: InChI=1S/C44H72N16O9/c45-28(12-5-18-53-42(46)47)36(63)57-29(13-6-19-54-43(48)49)37(64)52-17-8-16-35(62)56-31(24-61)39(66)59-23-27-11-2-1-9-25(27)21-34(59)40(67)60-32-15-4-3-10-26(32)22-33(60)38(65)58-30(41(68)69)14-7-20-55-44(50)51/h1-2,9,11,26,28-34,61H,3-8,10,12-24,45H2,(H,52,64)(H,56,62)(H,57,63)(H,58,65)(H,68,69)(H4,46,47,53)(H4,48,49,54)(H4,50,51,55)/t26-,28+,29-,30-,31-,32-,33-,34+/m0/s1
SMILES: CCOC1(CCN(CC1)C2=CC=C(C=C2)Cl)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=NC4=O)N)CO)O
InChI: InChI=1S/C22H29ClN4O6/c1-2-31-22(8-11-26(12-9-22)15-5-3-14(23)4-6-15)33-19-18(29)16(13-28)32-20(19)27-10-7-17(24)25-21(27)30/h3-7,10,16,18-20,28-29H,2,8-9,11-13H2,1H3,(H2,24,25,30)/t16-,18-,19-,20-/m1/s1
SMILES: C1[C@H]([C@H]([C@H](C=CS1)COCC2=CC=CC=C2)COCC3=CC=CC=C3)O
InChI: InChI=1S/C22H26O3S/c23-22-17-26-12-11-20(15-24-13-18-7-3-1-4-8-18)21(22)16-25-14-19-9-5-2-6-10-19/h1-12,20-23H,13-17H2/t20-,21+,22-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
InChI: InChI=1S/C10H14N5O7P.C10H14N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t4-,6-,7-,10-;5-,6+,7+/m10/s1
SMILES: CC1=C(C2[C@@H]3[C@H](C1[C@@H]4[C@H]2C(=O)OC4=O)C(=O)OC3=O)OC
InChI: InChI=1S/C14H12O7/c1-3-4-6-8(13(17)20-11(6)15)5(10(3)19-2)9-7(4)12(16)21-14(9)18/h4-9H,1-2H3/t4?,5?,6-,7+,8+,9-
SMILES: COC1=CC=CC=C1[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2C4CCCC4)C(=O)[O-]
InChI: InChI=1S/C22H23NO4/c1-27-18-13-7-6-12-17(18)20-19(22(25)26)15-10-4-5-11-16(15)21(24)23(20)14-8-2-3-9-14/h4-7,10-14,19-20H,2-3,8-9H2,1H3,(H,25,26)/p-1/t19-,20-/m1/s1
SMILES: CC(=O)OC[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2C[C@@](O[C@@H]([C@@H]2O)[C@H]3COC(=O)O3)(C(=O)OC)OCC=C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H40O20/c1-8-9-42-30(28(37)39-7)10-18(21(36)22(50-30)19-12-41-29(38)48-19)47-27-26(46-17(6)35)25(45-16(5)34)24(44-15(4)33)23(49-27)20(43-14(3)32)11-40-13(2)31/h8,18-27,36H,1,9-12H2,2-7H3/t18-,19-,20+,21-,22-,23-,24-,25+,26+,27+,30-/m1/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)C4=CC(=CC=C4)OCC5=CC=CC=C5)C#N
InChI: InChI=1S/C23H20N4O3/c1-15-11-29-23(30-15)22(14-25)19(21(22,13-24)20(26)27-23)17-8-5-9-18(10-17)28-12-16-6-3-2-4-7-16/h2-10,15,19H,11-12H2,1H3,(H2,26,27)/p+1/t15-,19+,21+,22+,23+/m0/s1
SMILES: C[C@H]1[C@@H](C(=O)N1OS(=O)(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/C2=CSC(=N2)N
InChI: InChI=1S/C13H17N5O9S2/c1-5-7(10(20)18(5)27-29(23,24)25)16-9(19)8(6-4-28-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
SMILES: CC1(COP(=O)(OC1)[Se][C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C
InChI: InChI=1S/C39H45O8PSe/c1-39(2)28-45-48(40,46-29-39)49-38-37(44-26-33-21-13-6-14-22-33)36(43-25-32-19-11-5-12-20-32)35(42-24-31-17-9-4-10-18-31)34(47-38)27-41-23-30-15-7-3-8-16-30/h3-22,34-38H,23-29H2,1-2H3/t34-,35-,36+,37-,38-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32
InChI: InChI=1S/C24H30N2O4/c1-16-7-5-12-21(17(16)2)26-23(28)15-30-24(29)14-25-22(27)13-19-10-6-9-18-8-3-4-11-20(18)19/h3-4,6,8-11,16-17,21H,5,7,12-15H2,1-2H3,(H,25,27)(H,26,28)/t16-,17-,21+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COC2=CC(=C(C=C2)Cl)C
InChI: InChI=1S/C19H25ClN2O5/c1-12-5-3-4-6-16(12)21-19(25)22-17(23)10-27-18(24)11-26-14-7-8-15(20)13(2)9-14/h7-9,12,16H,3-6,10-11H2,1-2H3,(H2,21,22,23,25)/t12-,16+/m1/s1
SMILES: C1[C@@H]2C[C@H]([C@H]1C=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CO5
InChI: InChI=1S/C21H21NO4/c23-21(19-2-1-7-24-19)22(12-17-9-14-3-5-16(17)8-14)11-15-4-6-18-20(10-15)26-13-25-18/h1-7,10,14,16-17H,8-9,11-13H2/t14-,16+,17+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H]([C@@H](C(=O)O3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O[C@@H]2O1)C
InChI: InChI=1S/C25H30O6Si/c1-24(2,3)32(16-12-8-6-9-13-16,17-14-10-7-11-15-17)31-20-18-19(27-22(20)26)21-23(28-18)30-25(4,5)29-21/h6-15,18-21,23H,1-5H3/t18-,19-,20-,21+,23+/m0/s1
SMILES: C1=CC(=CC=C1[C@H]2[C@@H]3N2C4=C(C=CC(=C4)[N+](=O)[O-])N=C3C5=CC=C(C=C5)Br)[N+](=O)[O-]
InChI: InChI=1S/C21H13BrN4O4/c22-14-5-1-12(2-6-14)19-21-20(13-3-7-15(8-4-13)25(27)28)24(21)18-11-16(26(29)30)9-10-17(18)23-19/h1-11,20-21H/t20-,21+,24?/m0/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)C8=C(C=C(C=C8)O)OC)C(=O)N(C7=O)CCCCCC(=O)O)C
InChI: InChI=1S/C41H41ClN4O8S/c1-20-26-16-21(42)9-14-31(26)55-36(20)29-19-32(44(3)43-29)46-38(51)28-18-27-23(35(41(28,2)40(46)53)24-11-10-22(47)17-30(24)54-4)12-13-25-34(27)39(52)45(37(25)50)15-7-5-6-8-33(48)49/h9-12,14,16-17,19,25,27-28,34-35,47H,5-8,13,15,18H2,1-4H3,(H,48,49)/t25-,27+,28-,34-,35+,41+/m0/s1
SMILES: CC(=O)[C@H]1C(CC2([C@@]1(CC[C@]34[C@H]2CCC5[C@]3(C4)CC[C@@H](C5=C)NC)C)C)O
InChI: InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16?,17-,18?,19-,20-,21+,22?,23+,24-/m0/s1
SMILES: C=CCC1=C2C(=CC=C1)C(=O)[C@]([C@@H](O2)C3=CC=CC=C3[N+](=O)[O-])([N+](=O)[O-])Cl
InChI: InChI=1S/C18H13ClN2O6/c1-2-6-11-7-5-9-13-15(11)27-17(18(19,16(13)22)21(25)26)12-8-3-4-10-14(12)20(23)24/h2-5,7-10,17H,1,6H2/t17-,18+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](N[C@H](CC1=N)C2=C(C(=CC=C2)OC)O)C3=C(C(=CC=C3)OC)O
InChI: InChI=1S/C22H26N2O6/c1-4-30-22(27)18-14(23)11-15(12-7-5-9-16(28-2)20(12)25)24-19(18)13-8-6-10-17(29-3)21(13)26/h5-10,15,18-19,23-26H,4,11H2,1-3H3/t15-,18-,19-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)[C@H]([C@@H]4C(=O)C(=C[C@H](O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O)C
InChI: InChI=1S/C32H34O12/c1-31(2)41-25-24(40-30-27(26(25)42-31)43-32(3,4)44-30)22(34)23-21(33)20(39-29(36)18-13-9-6-10-14-18)15-19(38-23)16-37-28(35)17-11-7-5-8-12-17/h5-15,19,22-27,30,34H,16H2,1-4H3/t19-,22-,23-,24+,25-,26-,27+,30+/m0/s1
SMILES: C[C@@]12CC[C@H]3[C@@H](CC[C@]([C@H](O3)CCCOCOC)(C)OCOC)O[C@H]1CC=C(O2)C(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C32H58O10Si/c1-30(2,3)43(8,9)39-20-23(33)19-24(34)25-12-13-29-32(5,42-25)17-15-27-26(41-29)14-16-31(4,38-22-36-7)28(40-27)11-10-18-37-21-35-6/h12,23,26-29,33H,10-11,13-22H2,1-9H3/t23-,26+,27-,28+,29-,31-,32+/m0/s1
SMILES: COC(=O)C1=C2[C@]3(CCN4[C@H]3[C@@]5(C1)C[C@@H](O[C@H]5CC4)O)C6=CC=CC=C6N2
InChI: InChI=1S/C21H24N2O4/c1-26-18(25)12-10-20-11-16(24)27-15(20)6-8-23-9-7-21(19(20)23)13-4-2-3-5-14(13)22-17(12)21/h2-5,15-16,19,22,24H,6-11H2,1H3/t15-,16+,19-,20-,21-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@H]([C@@H]1C[C@H](C2)O)CC[C@@H]4[C@@]3(CCCC4)C
InChI: InChI=1S/C19H32O/c1-18-10-8-16-15(17(18)11-14(20)12-18)7-6-13-5-3-4-9-19(13,16)2/h13-17,20H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18+,19+/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C2C=CC=C3C(=O)N)C(=O)O
InChI: InChI=1S/C14H14N2O3/c15-13(17)10-6-2-4-8-7-3-1-5-9(7)12(14(18)19)16-11(8)10/h1-4,6-7,9,12,16H,5H2,(H2,15,17)(H,18,19)/t7-,9+,12-/m0/s1
SMILES: CNC(=O)[C@]12C[C@H]1[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)Cl)NCC5=C(C=CC(=C5)Cl)OC
InChI: InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14+,15-,16-,21+/m0/s1
SMILES: CC1=C2C3[C@@H]([C@@]4(CCC5[C@](C4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)O)O)OC8CCCCO8)(CO5)OC(=O)C)C)OC(O3)(C)C
InChI: InChI=1S/C46H59NO12/c1-26-30(55-41(51)35(49)34(28-16-10-8-11-17-28)47-40(50)29-18-12-9-13-19-29)24-46(52)39(56-32-20-14-15-23-53-32)37-44(7,22-21-31-45(37,25-54-31)57-27(2)48)38-36(33(26)42(46,3)4)58-43(5,6)59-38/h8-13,16-19,30-32,34-39,49,52H,14-15,20-25H2,1-7H3,(H,47,50)/t30-,31?,32?,34-,35+,36?,37?,38-,39-,44+,45-,46+/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@@H]4O)N5CCOCC5)C)N6CCCC6
InChI: InChI=1S/C27H44N2O2/c1-26-9-7-20(28-11-3-4-12-28)17-19(26)5-6-21-22(26)8-10-27(2)23(21)18-24(25(27)30)29-13-15-31-16-14-29/h5,20-25,30H,3-4,6-18H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,27-/m0/s1
SMILES: CC1(CN([C@H]([C@@H]1C=C)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC)C
InChI: InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13-,14+/m0/s1
SMILES: CS[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)F
InChI: InChI=1S/C11H14FN5O3S/c1-21-8(12)7-5(18)6(19)11(20-7)17-3-16-4-9(13)14-2-15-10(4)17/h2-3,5-8,11,18-19H,1H3,(H2,13,14,15)/t5-,6+,7-,8+,11+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2C=C[C@@H]([C@H]([C@H]2C3=CC=CC=C3)N)C4=CC=CC=C4
InChI: InChI=1S/C24H23N/c25-24-22(19-12-6-2-7-13-19)17-16-21(18-10-4-1-5-11-18)23(24)20-14-8-3-9-15-20/h1-17,21-24H,25H2/t21-,22+,23-,24+/m0/s1
SMILES: COC(=O)[C@]1([C@H](CNC1=O)C2=CC=CC=C2)[C@@H](C[N+](=O)[O-])C3=CC=CO3
InChI: InChI=1S/C18H18N2O6/c1-25-17(22)18(14(11-20(23)24)15-8-5-9-26-15)13(10-19-16(18)21)12-6-3-2-4-7-12/h2-9,13-14H,10-11H2,1H3,(H,19,21)/t13-,14+,18-/m1/s1
SMILES: CC(=O)NC(C=O)[C@@H]1CC(=C2SCCCS2)C[C@H]1NC(=O)OC(C)(C)C
InChI: InChI=1S/C18H28N2O4S2/c1-11(22)19-15(10-21)13-8-12(16-25-6-5-7-26-16)9-14(13)20-17(23)24-18(2,3)4/h10,13-15H,5-9H2,1-4H3,(H,19,22)(H,20,23)/t13-,14-,15?/m1/s1
SMILES: C[C@H](C[C@@H](C[C@](C)(CO)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C27H44O5/c1-17(12-22(30)15-26(3,32)16-28)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-13-21(29)14-25(31)18(20)2/h7-8,17,21-25,28-32H,2,5-6,9-16H2,1,3-4H3/b19-7-,20-8-/t17-,21-,22+,23-,24+,25+,26-,27-/m1/s1
SMILES: CC(=O)[C@@]12[C@@H](C[C@H]3[C@@]1(CC[C@@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)OC(O2)(C)C
InChI: InChI=1S/C24H36O4/c1-14(25)24-20(27-21(2,3)28-24)13-19-17-7-6-15-12-16(26)8-10-22(15,4)18(17)9-11-23(19,24)5/h6,16-20,26H,7-13H2,1-5H3/t16-,17+,18+,19+,20+,22-,23-,24+/m0/s1
SMILES: CC[C@@H](C)N1C(=O)[C@]2(CC3=C(C=CC=C3Cl)N4[C@@H]2CCCCC4)C(=O)NC1=S
InChI: InChI=1S/C21H26ClN3O2S/c1-3-13(2)25-19(27)21(18(26)23-20(25)28)12-14-15(22)8-7-9-16(14)24-11-6-4-5-10-17(21)24/h7-9,13,17H,3-6,10-12H2,1-2H3,(H,23,26,28)/t13-,17-,21+/m1/s1
SMILES: CCOC(=O)O[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)C(=C)C[C@@]34C)C
InChI: InChI=1S/C23H32O4/c1-5-26-21(25)27-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h12,16-18,20H,2,5-11,13H2,1,3-4H3/t16-,17-,18-,20-,22+,23-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H](O1)C(O[Si](OC2(C3=CC=CC=C3)C4=CC=CC=C4)(OCC5=CC=CC=C5OC)OCC6=CC=CC=C6OC)(C7=CC=CC=C7)C8=CC=CC=C8)C
InChI: InChI=1S/C47H46O8Si/c1-45(2)52-43-44(53-45)47(39-27-13-7-14-28-39,40-29-15-8-16-30-40)55-56(50-33-35-21-17-19-31-41(35)48-3,51-34-36-22-18-20-32-42(36)49-4)54-46(43,37-23-9-5-10-24-37)38-25-11-6-12-26-38/h5-32,43-44H,33-34H2,1-4H3/t43-,44-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3CCC/C(=C\C4=CC=CO4)/C3=NN2C5=CC=CC=C5
InChI: InChI=1S/C25H24N2O2/c1-28-21-14-12-18(13-15-21)25-23-11-5-7-19(17-22-10-6-16-29-22)24(23)26-27(25)20-8-3-2-4-9-20/h2-4,6,8-10,12-17,23,25H,5,7,11H2,1H3/b19-17+/t23-,25-/m0/s1
SMILES: CC[C@@](C)(CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)C(C)(C)O
InChI: InChI=1S/C30H50O3/c1-8-29(6,28(4,5)33)17-15-20(2)25-13-14-26-22(10-9-16-30(25,26)7)11-12-23-18-24(31)19-27(32)21(23)3/h11-12,20,24-27,31-33H,3,8-10,13-19H2,1-2,4-7H3/b22-11+,23-12-/t20-,24-,25-,26+,27+,29+,30-/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/O)/C3=C(SC(=N3)N)Cl)C(=O)O)/C=C/SC4=NC(=NC=C4)SCCN
InChI: InChI=1S/C20H19ClN8O5S4/c21-14-10(27-19(23)38-14)11(28-34)15(30)26-12-16(31)29-13(18(32)33)8(7-37-17(12)29)2-5-35-9-1-4-24-20(25-9)36-6-3-22/h1-2,4-5,12,17,34H,3,6-7,22H2,(H2,23,27)(H,26,30)(H,32,33)/b5-2+,28-11+/t12-,17-/m1/s1
SMILES: COC1=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)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C(=O)OC)I)O
InChI: InChI=1S/C35H26Cl2F3IN4O8/c1-52-24-10-14(9-23(41)27(24)46)26-18-7-8-19-25(31(49)44(29(19)47)33(51)53-2)20(18)12-21-30(48)45(32(50)34(21,26)15-3-5-17(36)6-4-15)43-28-22(37)11-16(13-42-28)35(38,39)40/h3-7,9-11,13,19-21,25-26,46H,8,12H2,1-2H3,(H,42,43)/t19-,20+,21-,25-,26-,34+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@H](C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)[C@@H]3C=CC(=O)O3)C
InChI: InChI=1S/C22H32O5Si/c1-21(2,3)28(6,7)27-18(15-11-9-8-10-12-15)20-19(25-22(4,5)26-20)16-13-14-17(23)24-16/h8-14,16,18-20H,1-7H3/t16-,18-,19+,20+/m0/s1
SMILES: C[C@@]1(C[C@@H](C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6([C@@H]([C@H]([C@@H](C(O5)O6)O)N(C)C)O)C)O)OC)O
InChI: InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19-,23-,25+,26?,27+,28?/m0/s1
SMILES: C1=CC2=C(C=C1O)NC3=C4C(=C5C(N(C(C5=C23)O)NC(CO)CO)O)C6=C(N4C7[C@@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O)C=C(C=C6)O
InChI: InChI=1S/C29H32N4O11/c34-7-10(8-35)31-33-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(33)43)14-4-2-12(38)6-16(14)32(23)29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-31,34-43H,7-9H2/t17-,24-,25-,26-,27?,28?,29?/m1/s1
SMILES: CCCCCCCCCCCCSCC(COP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=C(C(=O)NC2=O)CC#C)O)O)OCCCCCCCCCC
InChI: InChI=1S/C37H65N2O10PS/c1-4-7-9-11-13-15-16-18-20-22-25-51-29-31(46-24-21-19-17-14-12-10-8-5-2)27-47-50(44,45)48-28-32-33(40)34(41)36(49-32)39-26-30(23-6-3)35(42)38-37(39)43/h3,26,31-34,36,40-41H,4-5,7-25,27-29H2,1-2H3,(H,44,45)(H,38,42,43)/t31?,32-,33-,34+,36-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)NC(=C2C#N)SCC3=CC(=CC=C3)F)C(=O)OC
InChI: InChI=1S/C22H19FN2O4S/c1-28-16-8-6-14(7-9-16)18-17(11-24)21(25-20(26)19(18)22(27)29-2)30-12-13-4-3-5-15(23)10-13/h3-10,18-19H,12H2,1-2H3,(H,25,26)/t18-,19+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[C@@H]4CO4)CC=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C21H32O2/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(=N1)NO)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=C(S2)Cl
InChI: InChI=1S/C15H20ClNO3S/c1-9-5-3-4-6-11(9)17-14(18)10(2)20-15(19)12-7-8-13(16)21-12/h7-11H,3-6H2,1-2H3,(H,17,18)/t9-,10-,11+/m1/s1
SMILES: CCOC(=O)C1[C@@H]2[C@H]1[C@H]3[C@@H]4[C@H]([C@@H]2C5=C3[C@H]6CC[C@@H]5C6)C(=O)OC4=O
InChI: InChI=1S/C19H20O5/c1-2-23-17(20)14-12-10-8-6-3-4-7(5-6)9(8)11(13(12)14)16-15(10)18(21)24-19(16)22/h6-7,10-16H,2-5H2,1H3/t6-,7+,10-,11+,12+,13-,14?,15+,16-
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H20N2O4/c26-20(14-25-22(28)18-8-4-5-9-19(18)23(25)29)15-10-12-17(13-11-15)24-21(27)16-6-2-1-3-7-16/h1-7,10-13,18-19H,8-9,14H2,(H,24,27)/t18-,19-/m0/s1
SMILES: CC(C)N1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=NC=C3
InChI: InChI=1S/C20H20N6/c1-13(2)26-8-5-15-16(9-21)19(24)20(11-22,12-23)18(17(15)10-26)14-3-6-25-7-4-14/h3-7,13,16-18,24H,8,10H2,1-2H3/t16?,17-,18-/m0/s1
SMILES: COC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]4[C@@H]([C@H]5[NH+]3CCC5)C(=O)N(C4=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C23H20ClN3O4/c1-31-14-8-9-16-15(11-14)23(22(30)25-16)19-18(17-3-2-10-26(17)23)20(28)27(21(19)29)13-6-4-12(24)5-7-13/h4-9,11,17-19H,2-3,10H2,1H3,(H,25,30)/p+1/t17-,18+,19-,23-/m0/s1
SMILES: C[C@H](C(=O)NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OC3=CC=C(C=C3)F
InChI: InChI=1S/C20H24FN3O5/c1-12(29-14-8-6-13(21)7-9-14)18(26)23-22-17(25)10-11-24-19(27)15-4-2-3-5-16(15)20(24)28/h6-9,12,15-16H,2-5,10-11H2,1H3,(H,22,25)(H,23,26)/t12-,15-,16+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C(C=CC(=C23)Br)O)C(=O)[O-]
InChI: InChI=1S/C13H12BrNO3/c14-8-4-5-9(16)12-10(8)6-2-1-3-7(6)11(15-12)13(17)18/h1-2,4-7,11,15-16H,3H2,(H,17,18)/p-1/t6-,7-,11+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=C(C=C(C=C2)[N+](=O)[O-])N(C)C(=O)OC3=C(C=C(C=C3)N(CCCl)CCCl)F)C(=O)OC)OC(=O)C
InChI: InChI=1S/C31H34Cl2FN3O14/c1-16(38)46-25-26(47-17(2)39)28(48-18(3)40)30(51-27(25)29(41)45-5)49-24-9-7-20(37(43)44)15-22(24)35(4)31(42)50-23-8-6-19(14-21(23)34)36(12-10-32)13-11-33/h6-9,14-15,25-28,30H,10-13H2,1-5H3/t25-,26-,27-,28+,30+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCC#C)I)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H19IO8/c1-5-6-20-15-12(16)14(23-10(4)19)13(22-9(3)18)11(24-15)7-21-8(2)17/h1,11-15H,6-7H2,2-4H3/t11-,12+,13-,14-,15+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C22H31N3O2S/c1-14-8-6-7-9-18(14)23-19(26)15(2)28-21-25-24-20(27-21)16-10-12-17(13-11-16)22(3,4)5/h10-15,18H,6-9H2,1-5H3,(H,23,26)/t14-,15+,18+/m0/s1
SMILES: CN1[C@@H]([C@@H]2[C@H](O1)C(=O)N(C2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)C4=COC5=CC=CC=C5C4=O
InChI: InChI=1S/C23H18ClF3N4O5/c1-30-17(13-10-35-15-5-3-2-4-12(15)18(13)32)16-19(36-30)22(34)31(21(16)33)7-6-28-20-14(24)8-11(9-29-20)23(25,26)27/h2-5,8-10,16-17,19H,6-7H2,1H3,(H,28,29)/t16-,17-,19+/m1/s1
SMILES: B1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H](C(O2)O[C@H]3CC[C@]4([C@H](C3)CC[C@@H]5[C@@H]4CC[C@]6([C@H]5CC[C@@H]6[C@H](C)CCCC(C)C)C)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C53H73BO6/c1-36(2)16-15-17-37(3)44-26-27-45-43-25-24-40-32-42(28-30-52(40,4)46(43)29-31-53(44,45)5)58-51-50(56-34-39-20-11-7-12-21-39)49(55-33-38-18-9-6-10-19-38)48-47(59-51)35-57-54(60-48)41-22-13-8-14-23-41/h6-14,18-23,36-37,40,42-51H,15-17,24-35H2,1-5H3/t37-,40+,42+,43+,44-,45+,46+,47-,48-,49+,50-,51?,52+,53-/m1/s1