EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)OCCCCCCNC(=O)C(CC3=CN=CN3)N)O)N)O)O)N
InChI: InChI=1S/C24H46N8O7/c25-9-16-22(19(34)17(29)24(38-16)39-21-14(27)8-13(26)18(33)20(21)35)37-6-4-2-1-3-5-31-23(36)15(28)7-12-10-30-11-32-12/h10-11,13-22,24,33-35H,1-9,25-29H2,(H,30,32)(H,31,36)/t13-,14+,15?,16-,17-,18+,19-,20-,21-,22-,24-/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)O[C@@H](C)C(=O)NC2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C18H19NO3/c1-11-9-16(11)18(21)22-12(2)17(20)19-15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10-12,16H,9H2,1-2H3,(H,19,20)/t11-,12-,16-/m0/s1
SMILES: CO[C@@H]1C[C@]23[C@H]4CC(=O)O[C@]4(CCN2C(=O)C=C3C=C1)O
InChI: InChI=1S/C15H17NO5/c1-20-10-3-2-9-6-12(17)16-5-4-15(19)11(7-13(18)21-15)14(9,16)8-10/h2-3,6,10-11,19H,4-5,7-8H2,1H3/t10-,11+,14-,15-/m0/s1
SMILES: CCNC(=O)NC1=CC=C(C=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CSCCO
InChI: InChI=1S/C24H32N2O5S/c1-3-25-24(29)26-20-10-8-19(9-11-20)23-30-21(15-32-13-12-27)16(2)22(31-23)18-6-4-17(14-28)5-7-18/h4-11,16,21-23,27-28H,3,12-15H2,1-2H3,(H2,25,26,29)/t16-,21+,22+,23+/m0/s1
SMILES: COC1[C@@H]([C@H]([C@@H]([C@H](S1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H38O5S/c1-36-35-34(40-25-30-20-12-5-13-21-30)33(39-24-29-18-10-4-11-19-29)32(38-23-28-16-8-3-9-17-28)31(41-35)26-37-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32-,33+,34-,35?/m1/s1
SMILES: C1C[C@@H](OC1)CNC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H24N2O4/c20-15(18-11-12-5-4-10-23-12)8-3-9-19-16(21)13-6-1-2-7-14(13)17(19)22/h1-2,12-14H,3-11H2,(H,18,20)/t12-,13-,14+/m1/s1
SMILES: C[NH+](C)CCC(=O)O[C@H]1CCCC[C@@H]1S(=O)(=O)CC2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H26ClNO4S/c1-20(2)12-11-18(21)24-16-5-3-4-6-17(16)25(22,23)13-14-7-9-15(19)10-8-14/h7-10,16-17H,3-6,11-13H2,1-2H3/p+1/t16-,17-/m0/s1
SMILES: CCOC(=O)N1[C@H]2C[C@@](N1C(=O)OCC)([C@H]3[C@@H]2C=C(C3=O)C(C)(C)C)C
InChI: InChI=1S/C19H28N2O5/c1-7-25-16(23)20-13-10-19(6,21(20)17(24)26-8-2)14-11(13)9-12(15(14)22)18(3,4)5/h9,11,13-14H,7-8,10H2,1-6H3/t11-,13+,14+,19-/m1/s1
SMILES: CCCCCC1=C(N=NN1C[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O)C(OCC)OCC
InChI: InChI=1S/C18H34N4O5/c1-4-7-8-9-14-15(18(26-5-2)27-6-3)20-21-22(14)10-12-16(24)17(25)13(11-23)19-12/h12-13,16-19,23-25H,4-11H2,1-3H3/t12-,13-,16-,17-/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)C5=NC6=CC=CC=C6N=C5)CSC7=C(C=CC=N7)C(=O)O
InChI: InChI=1S/C41H36N4O6S/c1-25-36(24-52-39-32(40(48)49)11-6-18-42-39)50-41(51-37(25)28-16-14-26(23-46)15-17-28)31-10-5-9-30(20-31)29-8-4-7-27(19-29)21-44-38(47)35-22-43-33-12-2-3-13-34(33)45-35/h2-20,22,25,36-37,41,46H,21,23-24H2,1H3,(H,44,47)(H,48,49)/t25-,36+,37+,41+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C1)C(=O)N(C2=O)CNC3=CC=CC(=C3)C
InChI: InChI=1S/C17H22N2O2/c1-11-4-3-5-13(8-11)18-10-19-16(20)14-7-6-12(2)9-15(14)17(19)21/h3-5,8,12,14-15,18H,6-7,9-10H2,1-2H3/t12-,14+,15-/m0/s1
SMILES: CC(=CCC/C(=C/CC[C@@]1([C@@H](CC2=C(O1)C=CC(=C2)C(=O)OC)O)C)/C)C
InChI: InChI=1S/C23H32O4/c1-16(2)8-6-9-17(3)10-7-13-23(4)21(24)15-19-14-18(22(25)26-5)11-12-20(19)27-23/h8,10-12,14,21,24H,6-7,9,13,15H2,1-5H3/b17-10+/t21-,23-/m1/s1
SMILES: CC(C)N1C[C@@H]2[C@H](C1)OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H23NO2/c1-15(2)21-13-18-19(14-21)23-20(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3/t18-,19+
SMILES: CN(C)C1=CC=C(C=C1)C=N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O
InChI: InChI=1S/C15H22N2O5/c1-17(2)10-5-3-9(4-6-10)7-16-12-14(20)13(19)11(8-18)22-15(12)21/h3-7,11-15,18-21H,8H2,1-2H3/t11-,12-,13-,14-,15-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1C=CC(=O)NC[C@H]1N=[N+]=[N-]
InChI: InChI=1S/C15H28N4O2Si/c1-10(2)22(11(3)4,12(5)6)21-14-7-8-15(20)17-9-13(14)18-19-16/h7-8,10-14H,9H2,1-6H3,(H,17,20)/t13-,14-/m1/s1
SMILES: COC1=C2[C@H]3CCCC[C@H]3O[C@@H](C2=C(C=C1)OC)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H23NO5/c1-25-17-10-11-18(26-2)20-19(17)15-8-3-4-9-16(15)27-21(20)13-6-5-7-14(12-13)22(23)24/h5-7,10-12,15-16,21H,3-4,8-9H2,1-2H3/t15-,16+,21+/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC[C@@]45[C@@]3(C=CC(=O)[C@H]4O5)C)C
InChI: InChI=1S/C21H28O4/c1-12(22)24-17-5-4-14-13-6-11-21-18(25-21)16(23)8-10-20(21,3)15(13)7-9-19(14,17)2/h8,10,13-15,17-18H,4-7,9,11H2,1-3H3/t13-,14+,15+,17+,18+,19-,20+,21-/m0/s1
SMILES: C1=CC=C(C=C1)[C@]23C(=O)C4=CC=CC=C4[C@]2(O3)C(=O)O
InChI: InChI=1S/C16H10O4/c17-13-11-8-4-5-9-12(11)16(14(18)19)15(13,20-16)10-6-2-1-3-7-10/h1-9H,(H,18,19)/t15-,16-/m0/s1
SMILES: COC1=CC2=C(C=C1)S[C@@]3(O2)[C@@H]4C[C@H]([C@H]3C(=O)OC)C=C4
InChI: InChI=1S/C16H16O4S/c1-18-11-5-6-13-12(8-11)20-16(21-13)10-4-3-9(7-10)14(16)15(17)19-2/h3-6,8-10,14H,7H2,1-2H3/t9-,10+,14+,16+/m1/s1
SMILES: CC1([C@@H]([C@H](C2=C(O1)C=C(C=C2)NC)NCCC3=CC=CC=C3)O)C.Cl
InChI: InChI=1S/C20H26N2O2.ClH/c1-20(2)19(23)18(22-12-11-14-7-5-4-6-8-14)16-10-9-15(21-3)13-17(16)24-20;/h4-10,13,18-19,21-23H,11-12H2,1-3H3;1H/t18-,19+;/m0./s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)/C=C/C5=CC6=CC=CC=C6C=C5)O)OC(=O)C7=CC=C(C=C7)OC)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C43H46O12/c1-23-30(53-33(46)18-12-25-11-13-26-9-7-8-10-28(26)19-25)21-43(50)38(54-39(49)27-14-16-29(51-6)17-15-27)36-41(5,37(48)35(47)34(23)40(43,3)4)31(45)20-32-42(36,22-52-32)55-24(2)44/h7-19,30-32,35-36,38,45,47,50H,20-22H2,1-6H3/b18-12+/t30-,31-,32+,35+,36-,38-,41+,42-,43+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2C[NH+](CC3)C)C(=O)/C=C/C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C22H22Cl2N2O/c1-14-3-7-20-17(11-14)18-13-25(2)10-9-21(18)26(20)22(27)8-5-15-4-6-16(23)12-19(15)24/h3-8,11-12,18,21H,9-10,13H2,1-2H3/p+1/b8-5+/t18-,21-/m1/s1
SMILES: C/C/1=C\[C@H]([C@H]2[C@H](CC(=C)C(=O)CC1)OC(=O)C2=C)O
InChI: InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4
InChI: InChI=1S/C24H30N2O5/c1-15-7-5-6-10-20(15)25-21(27)14-31-24(30)16-11-12-18-19(13-16)23(29)26(22(18)28)17-8-3-2-4-9-17/h11-13,15,17,20H,2-10,14H2,1H3,(H,25,27)/t15-,20-/m1/s1
SMILES: CCOC1=NC(=O)C(=CN1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN3CCOCC3)O)O)O)I
InChI: InChI=1S/C16H24IN3O7/c1-2-26-16-18-14(24)9(17)7-20(16)15-13(23)12(22)11(21)10(27-15)8-19-3-5-25-6-4-19/h7,10-13,15,21-23H,2-6,8H2,1H3/t10-,11-,12+,13-,15-/m1/s1
SMILES: C[C@@H]1[C@H]2CC(=O)[C@@H]([C@]13[C@@H](O2)C(=C)OC3=O)OC(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H15ClO6/c1-8-13-7-12(20)15(18(8)14(24-13)9(2)23-17(18)22)25-16(21)10-3-5-11(19)6-4-10/h3-6,8,13-15H,2,7H2,1H3/t8-,13-,14+,15+,18-/m1/s1
SMILES: COC1CC(=O)[C@@H]([C@H]1/C=C/C(COC2=CC(=CC=C2)F)OC)CCCCCCP(=O)(C)O
InChI: InChI=1S/C24H36FO6P/c1-29-20(17-31-19-10-8-9-18(25)15-19)12-13-22-21(23(26)16-24(22)30-2)11-6-4-5-7-14-32(3,27)28/h8-10,12-13,15,20-22,24H,4-7,11,14,16-17H2,1-3H3,(H,27,28)/b13-12+/t20?,21-,22-,24?/m1/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=C\3/C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CC=N5
InChI: InChI=1S/C24H20N2O3/c1-15-12-20(15)22-10-9-17(29-22)13-21-18-7-2-3-8-19(18)23(27)26(24(21)28)14-16-6-4-5-11-25-16/h2-11,13,15,20H,12,14H2,1H3/b21-13-/t15-,20+/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)NC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN5C=NC6=CC=CC=C65
InChI: InChI=1S/C37H38N4O6/c1-24-33(21-41-23-38-30-10-6-7-11-32(30)41)46-36(47-34(24)27-14-12-26(22-42)13-15-27)28-16-18-29(19-17-28)39-37(44)40-31(35(43)45-2)20-25-8-4-3-5-9-25/h3-19,23-24,31,33-34,36,42H,20-22H2,1-2H3,(H2,39,40,44)/t24-,31-,33+,34+,36+/m0/s1
SMILES: C[C@H]1[C@@]2(O1)CC(=C)[C@@](C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC2=O)(C)O
InChI: InChI=1S/C18H23NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,11,13-14,22H,1,5-9H2,2-3H3/t11-,13+,14+,17+,18-/m0/s1
SMILES: C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)CCC(=O)N(CCCCCN)OCC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])Cl
InChI: InChI=1S/C39H43ClN6O9/c40-30-18-19-31-35(38(50)45(31)36(30)39(51)54-24-27-14-16-29(17-15-27)46(52)53)43-37(49)34(28-12-6-2-7-13-28)42-32(47)20-21-33(48)44(23-9-3-8-22-41)55-25-26-10-4-1-5-11-26/h1-2,4-7,10-17,31,34-35H,3,8-9,18-25,41H2,(H,42,47)(H,43,49)/t31-,34-,35+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](CC(=O)O)CO)O)O)O)O
InChI: InChI=1S/C10H18O9/c11-2-4(1-6(13)14)18-10-9(17)8(16)7(15)5(3-12)19-10/h4-5,7-12,15-17H,1-3H2,(H,13,14)/t4-,5+,7+,8-,9+,10+/m0/s1
SMILES: CC1=CC[C@@]23[C@@H]4CCC5=C([C@H]4CC[C@@]2(C(=O)C[C@H]3C1)C)C=CC(=C5)OC
InChI: InChI=1S/C24H30O2/c1-15-8-11-24-17(12-15)14-22(25)23(24,2)10-9-20-19-6-5-18(26-3)13-16(19)4-7-21(20)24/h5-6,8,13,17,20-21H,4,7,9-12,14H2,1-3H3/t17-,20-,21-,23-,24-/m1/s1
SMILES: CC(CCCC/C=C\CCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O[C@H]3[C@H]([C@@H]([C@@H]([C@H](O3)COC4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C38H60N2O13/c1-23(42)13-11-9-7-5-3-2-4-6-8-10-12-14-30(43)39-18-17-24-20-40-27-16-15-25(19-26(24)27)51-38-36(49)34(47)32(45)29(53-38)22-50-37-35(48)33(46)31(44)28(21-41)52-37/h3,5,15-16,19-20,23,28-29,31-38,40-42,44-49H,2,4,6-14,17-18,21-22H2,1H3,(H,39,43)/b5-3-/t23?,28-,29-,31-,32-,33-,34-,35-,36+,37?,38-/m1/s1
SMILES: C[C@@]12CCCC[C@@]13C=C[C@@]2([C@H]4[C@@H]3CCC=CC4=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C24H28O2/c1-22-13-5-6-14-23(22)15-16-24(22,17-9-11-18(26-2)12-10-17)21-19(23)7-3-4-8-20(21)25/h4,8-12,15-16,19,21H,3,5-7,13-14H2,1-2H3/t19-,21-,22+,23-,24-/m0/s1
SMILES: COC1=C(C=C(C(=C1)C[NH+]2CC[NH+]3CCC[C@@H]3[C@@H]2C4CCCCC4)[N+](=O)[O-])OC
InChI: InChI=1S/C22H33N3O4/c1-28-20-13-17(19(25(26)27)14-21(20)29-2)15-24-12-11-23-10-6-9-18(23)22(24)16-7-4-3-5-8-16/h13-14,16,18,22H,3-12,15H2,1-2H3/p+2/t18-,22+/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@@H]2[C@H]3CCCC[C@@]3(CCN2CC(=O)NC4CCCCC4)O)OC
InChI: InChI=1S/C25H38N2O4/c1-30-19-11-12-20(22(16-19)31-2)24-21-10-6-7-13-25(21,29)14-15-27(24)17-23(28)26-18-8-4-3-5-9-18/h11-12,16,18,21,24,29H,3-10,13-15,17H2,1-2H3,(H,26,28)/t21-,24-,25+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC2[C@H]3[C@H](C4[C@H]([C@@H]2OC(O3)O4)O)O
InChI: InChI=1S/C14H14O7/c15-7-9-8(16)11-12(10(7)20-14(19-9)21-11)18-13(17)6-4-2-1-3-5-6/h1-5,7-12,14-16H/t7-,8+,9?,10+,11-,12?,14?
SMILES: C[C@@H]1C[C@@H]1C(=O)O[C@@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2
InChI: InChI=1S/C17H16N2O3S2/c1-8-6-10(8)17(21)22-9(2)14-18-15(20)13-11(7-24-16(13)19-14)12-4-3-5-23-12/h3-5,7-10H,6H2,1-2H3,(H,18,19,20)/t8-,9+,10+/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CC[C@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C22H32N2O3S/c1-3-24(4-2)28(26,27)21-12-9-18(10-13-21)11-14-22(25)23-16-15-19-7-5-6-8-20(19)17-23/h9-14,19-20H,3-8,15-17H2,1-2H3/b14-11+/t19-,20-/m1/s1
SMILES: C[C@]12[C@@H]3[C@@H]4C[C@H]([C@@H]3[C@]1([C@H]5[C@@H]2[C@H]6C[C@@H]5C7=C(C=CC(=C67)OC)OC)C)[C@@H]8[C@H]4C9=C(C=CN=C9)C1=C8C=NC=C1
InChI: InChI=1S/C34H34N2O2/c1-33-29-17-11-18(26-22-14-36-10-8-16(22)15-7-9-35-13-21(15)25(17)26)30(29)34(33,2)32-20-12-19(31(32)33)27-23(37-3)5-6-24(38-4)28(20)27/h5-10,13-14,17-20,25-26,29-32H,11-12H2,1-4H3/t17-,18+,19+,20-,25-,26+,29-,30+,31+,32-,33-,34+
SMILES: C[C@@]1([C@H](C[C@H](N[C@H]1C2=CC=CC=C2)C3=CC=CC=C3)O)CO
InChI: InChI=1S/C19H23NO2/c1-19(13-21)17(22)12-16(14-8-4-2-5-9-14)20-18(19)15-10-6-3-7-11-15/h2-11,16-18,20-22H,12-13H2,1H3/t16-,17-,18-,19-/m0/s1
SMILES: CCOC1=NC(=O)C(=CN1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)C
InChI: InChI=1S/C13H21N3O6/c1-3-21-13-15-11(20)6(2)5-16(13)12-10(19)9(18)8(17)7(4-14)22-12/h5,7-10,12,17-19H,3-4,14H2,1-2H3/t7-,8-,9+,10-,12-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O
InChI: InChI=1S/C24H30O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,11,13,17-19,21,26,28H,4-5,7-10,12H2,1-2H3/t17-,18-,19-,21-,22+,23-,24+/m1/s1
SMILES: CC1=CC=CC=C1C(=O)NC2=CC3=C4C(=C2)[C@H]5CCC[C@@H]5CN4C[C@@H]6[C@@H]3CCC6
InChI: InChI=1S/C26H30N2O/c1-16-6-2-3-9-20(16)26(29)27-19-12-23-21-10-4-7-17(21)14-28-15-18-8-5-11-22(18)24(13-19)25(23)28/h2-3,6,9,12-13,17-18,21-22H,4-5,7-8,10-11,14-15H2,1H3,(H,27,29)/t17-,18-,21+,22+/m1/s1
SMILES: COC1=C(C=C2C(=C1)[C@H]([C@H](C2=O)C(=O)OC)C3=CC=CC=C3)OC
InChI: InChI=1S/C19H18O5/c1-22-14-9-12-13(10-15(14)23-2)18(20)17(19(21)24-3)16(12)11-7-5-4-6-8-11/h4-10,16-17H,1-3H3/t16-,17-/m1/s1
SMILES: CC1(OC[C@H]2[C@@H](O1)[C@H]3[C@@](O2)(OC(O3)(C)C)C=O)C
InChI: InChI=1S/C12H18O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h6-9H,5H2,1-4H3/t7-,8+,9-,12-/m0/s1
SMILES: C1CCC(C1)NC2=C3C(=NC(=N2)C4=CC=CC=C4)N(N=N3)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C20H24N6O4/c27-10-13-15(28)16(29)20(30-13)26-19-14(24-25-26)18(21-12-8-4-5-9-12)22-17(23-19)11-6-2-1-3-7-11/h1-3,6-7,12-13,15-16,20,27-29H,4-5,8-10H2,(H,21,22,23)/t13-,15-,16-,20-/m1/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OC=C)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
InChI: InChI=1S/C49H54N7O8P/c1-8-60-44-43(64-65(62-29-15-28-50)56(33(2)3)34(4)5)41(63-48(44)55-32-53-42-45(51-31-52-46(42)55)54-47(57)35-16-11-9-12-17-35)30-61-49(36-18-13-10-14-19-36,37-20-24-39(58-6)25-21-37)38-22-26-40(59-7)27-23-38/h8-14,16-27,31-34,41,43-44,48H,1,15,29-30H2,2-7H3,(H,51,52,54,57)/t41-,43-,44-,48-,65?/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H18ClNO4/c23-16-10-8-14(9-11-16)13-28-22(27)15-4-3-5-17(12-15)24-20(25)18-6-1-2-7-19(18)21(24)26/h1-5,8-12,18-19H,6-7,13H2/t18-,19+
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C22H29NO7/c1-14(2)18-9-4-15(3)12-20(18)30-22(26)11-10-21(25)29-13-19(24)16-5-7-17(8-6-16)23(27)28/h5-8,14-15,18,20H,4,9-13H2,1-3H3/t15-,18-,20+/m0/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)Cl)CCC(=O)N4CC[C@]5(CCCC[C@@H]5C4)O
InChI: InChI=1S/C29H32ClNO5/c1-19-24-10-9-23(35-18-20-5-7-22(30)8-6-20)16-26(24)36-28(33)25(19)11-12-27(32)31-15-14-29(34)13-3-2-4-21(29)17-31/h5-10,16,21,34H,2-4,11-15,17-18H2,1H3/t21-,29+/m1/s1
SMILES: CO[C@H]1[C@@H]2C=COC([C@@H]2[C@@]3([C@H]1O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C16H24O10/c1-22-12-6-2-3-23-14(8(6)16(5-18)13(12)26-16)25-15-11(21)10(20)9(19)7(4-17)24-15/h2-3,6-15,17-21H,4-5H2,1H3/t6-,7-,8-,9-,10+,11-,12+,13+,14?,15+,16-/m1/s1
SMILES: C(CS)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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)O
InChI: InChI=1S/C20H36O16S/c21-3-6-9(24)10(25)13(28)19(32-6)35-17-8(5-23)34-20(15(30)12(17)27)36-16-7(4-22)33-18(31-1-2-37)14(29)11(16)26/h6-30,37H,1-5H2/t6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+,19-,20-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C[C@@H]2[C@H](COC2=O)C(=O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C21H20O8/c1-25-17-6-11(7-18(26-2)20(17)23)5-13-14(9-27-21(13)24)19(22)12-3-4-15-16(8-12)29-10-28-15/h3-4,6-8,13-14,23H,5,9-10H2,1-2H3/t13-,14+/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2OC3=C(C=C4CC([N+](=C/C=C/5\C[C@@H](NC(=C5)C(=O)O)C(=O)O)C4=C3)C(=O)O)O)CO)O)O)O)O)O
InChI: InChI=1S/C30H36N2O17/c1-10-20(35)22(37)24(39)29(46-10)49-25-23(38)21(36)19(9-33)48-30(25)47-18-8-15-12(7-17(18)34)6-16(28(44)45)32(15)3-2-11-4-13(26(40)41)31-14(5-11)27(42)43/h2-4,7-8,10,14,16,19-25,29-30,33,35-39H,5-6,9H2,1H3,(H4,34,40,41,42,43,44,45)/p+1/t10-,14+,16?,19+,20+,21+,22+,23-,24+,25+,29-,30-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@@H]3[C@H](O2)[C@@H](CO3)O)O
InChI: InChI=1S/C11H14N2O6/c1-4-2-13(11(17)12-9(4)16)10-6(15)8-7(19-10)5(14)3-18-8/h2,5-8,10,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,8-,10+/m1/s1
SMILES: CS(=O)(=O)OC1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CC5=CC=CC=C5
InChI: InChI=1S/C29H28N2O7S2/c1-40(35,36)38-22-18-39-28-24(30-23(32)17-19-11-5-2-6-12-19)27(33)31(28)25(22)29(34)37-26(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22,24-26,28H,17-18H2,1H3,(H,30,32)/t22?,24-,25?,28-/m1/s1
SMILES: CCOC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3
InChI: InChI=1S/C22H25N3O4S2/c1-2-29-18-9-3-15(4-10-18)11-12-23-21(26)16-5-7-17(8-6-16)24-22-25-19-13-31(27,28)14-20(19)30-22/h3-10,19-20H,2,11-14H2,1H3,(H,23,26)(H,24,25)/t19-,20-/m0/s1
SMILES: CC(=O)OC1C[C@]23CCN([C@H](C2=C(C1OC(=O)C)OC)CC4=C3C(=C(C=C4)OC)O)C(=O)CCCCC(=O)O[C@H]5CC[C@@]6([C@H]7CC=C8[C@@H]9CC(CC[C@@]9(CC[C@]8([C@@]7(CCC6C5(C)C)C)C)C(=O)OC)(C)C)C
InChI: InChI=1S/C59H83NO12/c1-34(61)70-41-33-59-29-30-60(39(48(59)51(68-11)50(41)71-35(2)62)31-36-17-19-40(67-10)49(65)47(36)59)45(63)15-13-14-16-46(64)72-44-22-23-55(7)42(54(44,5)6)21-24-57(9)43(55)20-18-37-38-32-53(3,4)25-27-58(38,52(66)69-12)28-26-56(37,57)8/h17-19,38-39,41-44,50,65H,13-16,20-33H2,1-12H3/t38-,39-,41?,42?,43+,44-,50?,55-,56+,57+,58-,59-/m0/s1
SMILES: C[C@@H]1C[C@H]1[C@H](C)C/C=C(\C)/[C@H]2CC[C@@H]3[C@@]2([C@@H](C[C@H]4[C@H]3[C@@H](C[C@@H]5[C@@]4(CCC(C5)(OC)OC)C)O)O)C
InChI: InChI=1S/C31H52O4/c1-18(22-14-20(22)3)8-9-19(2)23-10-11-24-28-25(16-27(33)30(23,24)5)29(4)12-13-31(34-6,35-7)17-21(29)15-26(28)32/h9,18,20-28,32-33H,8,10-17H2,1-7H3/b19-9+/t18-,20-,21+,22+,23-,24+,25+,26-,27-,28+,29+,30-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@]45N(CCO5)C)C)O
InChI: InChI=1S/C22H37NO2/c1-20-9-6-16(24)14-15(20)4-5-17-18(20)7-10-21(2)19(17)8-11-22(21)23(3)12-13-25-22/h15-19,24H,4-14H2,1-3H3/t15-,16+,17+,18+,19-,20+,21+,22+/m1/s1
SMILES: C[C@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2CCC3=C(OC=C3)C[NH+]4CCCCC4)(C)C(=O)OC
InChI: InChI=1S/C27H41NO3/c1-20-9-12-24-26(2,14-8-15-27(24,3)25(29)30-4)22(20)11-10-21-13-18-31-23(21)19-28-16-6-5-7-17-28/h13,18,22,24H,1,5-12,14-17,19H2,2-4H3/p+1/t22-,24+,26+,27-/m0/s1
SMILES: C1CC[C@@]23[C@H](C1)[C@H](C=C(N2N=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C28H26N2O/c1-4-12-21(13-5-1)24-20-26(22-14-6-2-7-15-22)30-28(19-11-10-18-25(24)28)31-27(29-30)23-16-8-3-9-17-23/h1-9,12-17,20,24-25H,10-11,18-19H2/t24-,25-,28-/m1/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)[C@@H]([C@H](/C(=C/S(=O)(=O)C3=CC=CC=C3)/[C@H]2O)O)O[Si](C)(C)C(C)(C)C)(C)OC)OC
InChI: InChI=1S/C25H40O9SSi/c1-23(2,3)36(8,9)34-21-19(27)17(15-35(28,29)16-13-11-10-12-14-16)18(26)20-22(21)33-25(5,31-7)24(4,30-6)32-20/h10-15,18-22,26-27H,1-9H3/b17-15+/t18-,19+,20-,21-,22+,24+,25+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22-,23+,24+,25-,26+,27-/m1/s1
SMILES: CC1(N([C@H]([C@@H](O1)[C@@H](CC2CCCCC2)N(CC3=CC=CC=C3)O)CC4CCCCC4)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C32H52N2O4/c1-31(2,3)38-30(35)34-28(22-25-17-11-7-12-18-25)29(37-32(34,4)5)27(21-24-15-9-6-10-16-24)33(36)23-26-19-13-8-14-20-26/h8,13-14,19-20,24-25,27-29,36H,6-7,9-12,15-18,21-23H2,1-5H3/t27-,28+,29+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]3CCCC[C@]3(CCN2C(=O)/C=C/C4=CC=CC=C4)O
InChI: InChI=1S/C25H29NO3/c1-29-21-13-11-20(12-14-21)24-22-9-5-6-16-25(22,28)17-18-26(24)23(27)15-10-19-7-3-2-4-8-19/h2-4,7-8,10-15,22,24,28H,5-6,9,16-18H2,1H3/b15-10+/t22-,24-,25+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4C3=CC=C5[C@@]4(CC[C@@H](C5)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C35H54O4SSi/c1-24-10-13-28(14-11-24)40(36,37)38-23-25(2)30-16-17-31-29-15-12-26-22-27(39-41(8,9)33(3,4)5)18-20-34(26,6)32(29)19-21-35(30,31)7/h10-15,25,27,30-32H,16-23H2,1-9H3/t25-,27+,30-,31+,32+,34+,35-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@@H]([C@@H]2O1)N3C=CC(NC3=O)NC(=O)C4=CC=CC=C4)CO)C
InChI: InChI=1S/C19H23N3O6/c1-19(2)27-14-12(10-23)26-17(15(14)28-19)22-9-8-13(21-18(22)25)20-16(24)11-6-4-3-5-7-11/h3-9,12-15,17,23H,10H2,1-2H3,(H,20,24)(H,21,25)/t12-,13?,14-,15-,17+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@@H]1[C@@H]([C@H](CO1)O)O
InChI: InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)30-21(18-25)24-23(28)20(26)19-29-24/h20-21,23-26,28H,2-19H2,1H3/t20-,21+,23+,24+/m0/s1
SMILES: CCCOC1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OC
InChI: InChI=1S/C16H20N2O4/c1-4-9-22-12-7-5-11(6-8-12)14-13(15(19)21-3)10(2)17-16(20)18-14/h5-8,13-14H,2,4,9H2,1,3H3,(H2,17,18,20)/t13-,14+/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]6[C@H]([C@]5(C)CCN)CC(=O)O6)C)C)OC1
InChI: InChI=1S/C27H43NO4/c1-15-5-8-27(30-14-15)16(2)24-22(32-27)12-19-17-11-21-20(13-23(29)31-21)25(3,9-10-28)18(17)6-7-26(19,24)4/h15-22,24H,5-14,28H2,1-4H3/t15-,16+,17-,18+,19+,20-,21-,22+,24+,25-,26+,27-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)CSC2=C([C@H]([C@@H](C(=O)N2)C(=O)OC)C3=CC=CC=C3F)C#N
InChI: InChI=1S/C23H20FN3O4S/c1-13-7-9-14(10-8-13)26-18(28)12-32-22-16(11-25)19(15-5-3-4-6-17(15)24)20(21(29)27-22)23(30)31-2/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)/t19-,20+/m1/s1
SMILES: COC1=C(C=C2C(=C1)[C@@H]3[C@H](CO2)OC4=C(C3=O)C=CC5=C4C=CO5)OC
InChI: InChI=1S/C20H16O6/c1-22-15-7-12-14(8-16(15)23-2)25-9-17-18(12)19(21)11-3-4-13-10(5-6-24-13)20(11)26-17/h3-8,17-18H,9H2,1-2H3/t17-,18+/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC(=CC=C5)C=COCCO)OC(O4)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C42H48N2O11/c1-40(2,3)52-33(47)18-17-31(26-46)43-39(49)41-24-32-34-35(54-42(53-34,29-13-6-4-7-14-29)30-15-8-5-9-16-30)37(41)55-44(36(41)38(48)51-32)25-28-12-10-11-27(23-28)19-21-50-22-20-45/h4-16,19,21,23,31-32,34-37,45-46H,17-18,20,22,24-26H2,1-3H3,(H,43,49)/t31-,32+,34-,35-,36-,37+,41-/m0/s1
SMILES: C/C=C/C1=C2COC(O[C@@H]2[C@@H]3[C@H]([C@H]1O)O3)(C)C
InChI: InChI=1S/C13H18O4/c1-4-5-7-8-6-15-13(2,3)17-10(8)12-11(16-12)9(7)14/h4-5,9-12,14H,6H2,1-3H3/b5-4+/t9-,10-,11-,12+/m0/s1
SMILES: CCC1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)(C(C(C(C(C(=O)O1)C)O[C@@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)CC)O)C)C)C)O)(C)O
InChI: InChI=1S/C38H67NO12/c1-14-26-38(11,44)31(41)21(5)29-19(3)17-37(10,51-29)33(50-35-28(40)25(39(12)15-2)16-20(4)46-35)22(6)30(23(7)34(43)48-26)49-27-18-36(9,45-13)32(42)24(8)47-27/h20-28,30-33,35,40-42,44H,14-18H2,1-13H3/t20-,21+,22?,23?,24+,25+,26?,27-,28-,30?,31-,32+,33?,35+,36-,37-,38-/m1/s1
SMILES: C=C[C@@H]1CN2CC[C@H]1C[C@H]2C(=O)C3=CC=NC4=CC=CC=C34
InChI: InChI=1S/C19H20N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18H,1,8,10-12H2/t13-,14+,18+/m1/s1
SMILES: CC1=NN=C(S1)SCC2=NN=C(S2)SCC3=C(N4[C@@H]([C@@H](C4=O)N)SC3)C(=O)O
InChI: InChI=1S/C14H14N6O3S5/c1-5-16-18-13(27-5)26-4-7-17-19-14(28-7)25-3-6-2-24-11-8(15)10(21)20(11)9(6)12(22)23/h8,11H,2-4,15H2,1H3,(H,22,23)/t8-,11-/m1/s1
SMILES: CC(C)CCCO[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/C25H40O3/c1-17(2)7-6-14-28-24-12-11-22-19(8-5-13-25(22,24)4)9-10-20-15-21(26)16-23(27)18(20)3/h9-10,17,21-24,26-27H,3,5-8,11-16H2,1-2,4H3/b19-9+,20-10+/t21-,22+,23+,24+,25+/m1/s1
SMILES: CN1C2=C(C=N1)C3=CC(=C(C=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl)Cl
InChI: InChI=1S/C15H15Cl2N3O4/c1-19-14-7(4-18-19)6-2-8(16)9(17)3-10(6)20(14)15-13(23)12(22)11(5-21)24-15/h2-4,11-13,15,21-23H,5H2,1H3/t11-,12-,13-,15-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@H]2CC(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N\OC/C=C/C4=CC=CC=C4)/CO2)C)C)(C)O
InChI: InChI=1S/C42H63N3O11/c1-11-34-42(8,50)35-21-32(43-29(6)46)25(2)22-41(7,52-24-31(23-51-35)44-53-19-15-18-30-16-13-12-14-17-30)38(27(4)36(47)28(5)39(49)55-34)56-40-37(48)33(45(9)10)20-26(3)54-40/h12-18,25-28,33-35,37-38,40,48,50H,11,19-24H2,1-10H3/b18-15+,43-32?,44-31-/t25-,26-,27+,28-,33+,34-,35-,37-,38-,40+,41-,42-/m1/s1
SMILES: C1CCC2=C(C1)[C@H]([C@@H]3CCC/C(=C\C4=CC=CC=C4)/[C@@]3(O2)N5CCCC5)C6=CC=CC=C6
InChI: InChI=1S/C30H35NO/c1-3-12-23(13-4-1)22-25-16-11-18-27-29(24-14-5-2-6-15-24)26-17-7-8-19-28(26)32-30(25,27)31-20-9-10-21-31/h1-6,12-15,22,27,29H,7-11,16-21H2/b25-22+/t27-,29+,30-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]1C=CC5=CC(=C(C=C5)O)OC)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C29H26ClFN4O6/c1-29-18(7-4-15-5-9-23(36)24(12-15)41-3)17-10-11-33-27(39)32(2)28(40)35(33)22(17)14-19(29)25(37)34(26(29)38)16-6-8-21(31)20(30)13-16/h4-10,12-13,18-19,22,36H,11,14H2,1-3H3/t18-,19-,22+,29-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CC=C5F
InChI: InChI=1S/C27H18FN3O/c28-21-12-6-5-11-20(21)24-25(26(32)19-9-2-1-3-10-19)31-22-13-7-4-8-18(22)14-15-23(31)27(24,16-29)17-30/h1-15,23-25H/t23-,24+,25-/m1/s1
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)OC(=O)CCC(=O)O
InChI: InChI=1S/C25H38O8/c1-13(33-22(30)7-6-21(28)29)15-4-5-16-14-12-32-23(31)18-10-19(26)20(27)11-25(18,3)17(14)8-9-24(15,16)2/h13-20,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18-,19+,20-,24-,25-/m1/s1