EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C
InChI: InChI=1S/C17H25N5O/c1-11-6-4-5-7-15(11)21-16(23)9-8-14-12(2)20-17-18-10-19-22(17)13(14)3/h10-11,15H,4-9H2,1-3H3,(H,21,23)/t11-,15+/m1/s1
SMILES: CC(C)(C(CCC(=C)C(CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C16H30O9/c1-8(9(19)6-17)4-5-11(20)16(2,3)25-15-14(23)13(22)12(21)10(7-18)24-15/h9-15,17-23H,1,4-7H2,2-3H3/t9?,10-,11?,12-,13+,14-,15+/m1/s1
SMILES: COC1=CC(=CC(=C1[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)N9CCOCC9)OC)O
InChI: InChI=1S/C46H42N2O8/c1-54-37-23-31(49)24-38(55-2)41(37)42-32-17-18-33-40(45(53)48(44(33)52)30-15-13-29(14-16-30)47-19-21-56-22-20-47)35(32)25-36-43(51)34(27-9-5-3-6-10-27)26-39(50)46(36,42)28-11-7-4-8-12-28/h3-17,23-24,26,33,35-36,40,42,49H,18-22,25H2,1-2H3/t33-,35+,36-,40-,42+,46-/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC
InChI: InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10-,11+,14+,15+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@H](CO[C@@H](CO2)C(C3=CC(=C(C=C3)O)OC)O)[C@@H]4CO[C@H](CO[C@@H]4C5=CC(=C(C(=C5)OC)O)OC)C(C6=CC(=C(C=C6)O)OC)O
InChI: InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)43)37(45)35-19-57-41(23-13-31(51-3)39(47)32(14-23)52-4)25(17-55-35)26-18-56-36(38(46)22-8-10-28(44)30(12-22)50-2)20-58-42(26)24-15-33(53-5)40(48)34(16-24)54-6/h7-16,25-26,35-38,41-48H,17-20H2,1-6H3/t25-,26+,35+,36-,37?,38?,41+,42-
SMILES: C1CC[C@]2(CC(=O)N(CCS2(=O)=O)CC3=CN=CC=C3)[C@@H](C1)CC4=CC=CC=C4.Cl
InChI: InChI=1S/C23H28N2O3S.ClH/c26-22-16-23(11-5-4-10-21(23)15-19-7-2-1-3-8-19)29(27,28)14-13-25(22)18-20-9-6-12-24-17-20;/h1-3,6-9,12,17,21H,4-5,10-11,13-16,18H2;1H/t21-,23-;/m0./s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=S)N(C)C
InChI: InChI=1S/C21H27NO2S/c1-21-11-10-16-15-7-5-14(24-20(25)22(2)3)12-13(15)4-6-17(16)18(21)8-9-19(21)23/h5,7,12,16-18H,4,6,8-11H2,1-3H3/t16-,17-,18+,21+/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CCN4C(=O)N(C(=O)N4[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)C8=CC=CC=C8
InChI: InChI=1S/C38H29Cl2F3N6O5/c1-19-14-21(15-20(2)31(19)50)30-26-12-13-46-35(53)47(25-6-4-3-5-7-25)36(54)49(46)29(26)17-27-33(51)48(34(52)37(27,30)22-8-10-24(39)11-9-22)45-32-28(40)16-23(18-44-32)38(41,42)43/h3-12,14-16,18,27,29-30,50H,13,17H2,1-2H3,(H,44,45)/t27-,29+,30-,37+/m0/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H]3C[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H24N2O2/c1-25-20-10-6-5-9-19(20)22-11-13-23(14-12-22)21(24)18-15-17(18)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3/t17-,18+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)NC3=C(C2(C)C)C=CC4=CC=CC=C43
InChI: InChI=1S/C20H25N/c1-13-8-10-16-18(12-13)21-19-15-7-5-4-6-14(15)9-11-17(19)20(16,2)3/h4-7,9,11,13,16,18,21H,8,10,12H2,1-3H3/t13-,16-,18-/m1/s1
SMILES: CC1=C(S[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C38H50O6SSi/c1-27-35(28(2)44-46(6,7)38(3,4)5)45-36-34(41-25-31-21-15-10-16-22-31)33(40-24-30-19-13-9-14-20-30)32(43-37(36)42-27)26-39-23-29-17-11-8-12-18-29/h8-22,28,32-34,36-37H,23-26H2,1-7H3/t28?,32-,33-,34+,36-,37+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@H](CSC3=C2SC(=O)N3)C(=O)OC)O
InChI: InChI=1S/C15H15NO5S2/c1-20-10-5-7(3-4-9(10)17)11-8(14(18)21-2)6-22-13-12(11)23-15(19)16-13/h3-5,8,11,17H,6H2,1-2H3,(H,16,19)/t8-,11-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](N3[C@@H]([C@]24C5=CC=CC=C5NC4=O)C6=CC=CC=C6C=N3)C(=O)C7=CC=C(C=C7)Cl
InChI: InChI=1S/C32H22ClN3O3/c33-22-16-14-20(15-17-22)29(38)27-26(28(37)19-8-2-1-3-9-19)32(24-12-6-7-13-25(24)35-31(32)39)30-23-11-5-4-10-21(23)18-34-36(27)30/h1-18,26-27,30H,(H,35,39)/t26-,27-,30-,32+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC[C@H](COCC3=CC=C(C=C3)Cl)O
InChI: InChI=1S/C20H30ClNO2/c1-19(2)15-8-9-20(19,3)18(10-15)22-11-17(23)13-24-12-14-4-6-16(21)7-5-14/h4-7,15,17-18,22-23H,8-13H2,1-3H3/t15-,17-,18+,20+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)NC(=O)C4=CC=C(C=C4)N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C21H26N4O5S/c1-9-16-15(10(2)26)20(28)25(16)17(21(29)30)18(9)31-13-7-14(23-8-13)24-19(27)11-3-5-12(22)6-4-11/h3-6,9-10,13-16,23,26H,7-8,22H2,1-2H3,(H,24,27)(H,29,30)/t9-,10-,13+,14-,15-,16-/m1/s1
SMILES: C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)C/C=C/OC(=O)C)OC)\C)O[C@]6(C4)C=C[C@@H]([C@H](O6)C(C)C)C)O
InChI: InChI=1S/C45H64O12/c1-25(2)40-28(5)17-18-44(57-40)23-34-21-33(56-44)16-15-27(4)41(55-38-22-37(50-9)35(30(7)53-38)14-11-19-51-31(8)46)26(3)12-10-13-32-24-52-42-39(47)29(6)20-36(43(48)54-34)45(32,42)49/h10-13,15,17-20,25-26,28,30,33-42,47,49H,14,16,21-24H2,1-9H3/b12-10+,19-11+,27-15+,32-13+/t26-,28-,30-,33+,34-,35-,36-,37-,38-,39+,40+,41-,42+,44+,45+/m0/s1
SMILES: CC(C)NC(=O)N[C@H]1CCN([C@@H]1C(=O)N(C)CC(=O)N)C(=O)C2=CC=CN2C
InChI: InChI=1S/C18H28N6O4/c1-11(2)20-18(28)21-12-7-9-24(16(26)13-6-5-8-22(13)3)15(12)17(27)23(4)10-14(19)25/h5-6,8,11-12,15H,7,9-10H2,1-4H3,(H2,19,25)(H2,20,21,28)/t12-,15-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N[C@@H](C)C(=O)NC2=CC=C(C=C2)NC(=O)C
InChI: InChI=1S/C19H29N3O2/c1-12-6-5-7-18(13(12)2)20-14(3)19(24)22-17-10-8-16(9-11-17)21-15(4)23/h8-14,18,20H,5-7H2,1-4H3,(H,21,23)(H,22,24)/t12-,13+,14-,18+/m0/s1
SMILES: CC1CCN(CC1)[C@@H]2[C@H]([C@H]3[C@@](O3)(C[C@H]4[C@H]([C@H]5C=C2C(=O)O5)C(C(=O)O4)C)C)OC(=O)C
InChI: InChI=1S/C23H31NO7/c1-11-5-7-24(8-6-11)18-14-9-15(29-22(14)27)17-12(2)21(26)30-16(17)10-23(4)20(31-23)19(18)28-13(3)25/h9,11-12,15-20H,5-8,10H2,1-4H3/t12?,15-,16+,17+,18+,19-,20+,23+/m1/s1
SMILES: CCCNC(=O)NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C17H23N3O6/c1-2-8-18-17(25)19-13(21)10-26-14(22)7-9-20-15(23)11-5-3-4-6-12(11)16(20)24/h3-4,11-12H,2,5-10H2,1H3,(H2,18,19,21,25)/t11-,12-/m0/s1
SMILES: CCOC1([C@@]2([C@@H]([C@@]2(C(=N1)N)C#N)C3=CC=CO3)C#N)OCC
InChI: InChI=1S/C15H16N4O3/c1-3-21-15(22-4-2)14(9-17)11(10-6-5-7-20-10)13(14,8-16)12(18)19-15/h5-7,11H,3-4H2,1-2H3,(H2,18,19)/t11-,13-,14-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C5=CC=C(C=C5)Br
InChI: InChI=1S/C22H16BrNO4/c23-15-8-6-12(7-9-15)22(27)28-17-3-1-2-16(11-17)24-20(25)18-13-4-5-14(10-13)19(18)21(24)26/h1-9,11,13-14,18-19H,10H2/t13-,14+,18-,19-/m0/s1
SMILES: CNC(=O)C1=CC=C(C=C1)NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C16H21N3OS/c1-17-15(20)11-4-6-13(7-5-11)18-16(21)19-14-9-10-2-3-12(14)8-10/h4-7,10,12,14H,2-3,8-9H2,1H3,(H,17,20)(H2,18,19,21)/t10-,12+,14+/m0/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=C(C=C2)C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC(O4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N7CCC[C@@H]7C(=O)NCCO)C
InChI: InChI=1S/C43H44N2O11/c1-42(2)26-52-41(51)37(42)54-35(47)20-17-27-15-18-28(19-16-27)40(50)53-33-24-29(39(49)45-22-9-14-32(45)38(48)44-21-23-46)25-34-36(33)56-43(55-34,30-10-5-3-6-11-30)31-12-7-4-8-13-31/h3-8,10-13,15-20,25,32-34,36-37,46H,9,14,21-24,26H2,1-2H3,(H,44,48)/t32-,33-,34-,36+,37+/m1/s1
SMILES: C[C@]12C=C[C@]3(O1)[C@@H]([C@H]2C(=O)NC)C(=O)N([C@H]3C(=O)NC4CCCC4)CC#C
InChI: InChI=1S/C20H25N3O4/c1-4-11-23-15(17(25)22-12-7-5-6-8-12)20-10-9-19(2,27-20)13(16(24)21-3)14(20)18(23)26/h1,9-10,12-15H,5-8,11H2,2-3H3,(H,21,24)(H,22,25)/t13-,14-,15-,19+,20-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)O
InChI: InChI=1S/C15H17NO5/c17-13(11-3-1-2-4-12(11)15(20)21)16-10-7-5-9(6-8-10)14(18)19/h5-8,11-12H,1-4H2,(H,16,17)(H,18,19)(H,20,21)/t11-,12-/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=CN=C32)N)CO
InChI: InChI=1S/C36H47N5O4.C10H12FN5O2/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);3-6,10,17H,1-2H2,(H2,12,13,14)/t28-,29-,31-,32+,33-;5-,6-,10+/m00/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)OCC=C
InChI: InChI=1S/C18H22N2O5S2/c1-5-10-25-17(22)14-18(3,4)26-16-13(15(21)20(14)16)19-27(23,24)12-8-6-11(2)7-9-12/h5-9,13-14,16,19H,1,10H2,2-4H3/t13-,14+,16-/m1/s1
SMILES: C[C@H]1[C@@H](CC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CC=C)O
InChI: InChI=1S/C16H23NO3S/c1-4-5-14-8-11-16(18)13(3)17(14)21(19,20)15-9-6-12(2)7-10-15/h4,6-7,9-10,13-14,16,18H,1,5,8,11H2,2-3H3/t13-,14-,16+/m0/s1
SMILES: CN1C(=O)[C@@H]2[C@@H](C(=C3N([C@@H]2C1=O)C4=CC=CC=C4S3)C#N)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C21H14ClN3O2S/c1-24-19(26)17-16(11-6-8-12(22)9-7-11)13(10-23)21-25(18(17)20(24)27)14-4-2-3-5-15(14)28-21/h2-9,16-18H,1H3/t16-,17-,18+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@H]3[C@@H](O2)[C@@H]([C@@H]([C@]3(CO)O)O)O)O)O)O)O
InChI: InChI=1S/C13H22N2O10/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7+,8+,9+,10+,11+,13-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)SC5=NN=C(S5)N
InChI: InChI=1S/C21H18N4O2S3/c1-12-8-10-14(11-9-12)30(26,27)25-18-15-6-2-4-13-5-3-7-16(17(13)15)19(18)28-21-24-23-20(22)29-21/h2-11,18-19,25H,1H3,(H2,22,23)/t18-,19+/m0/s1
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)[C@H]3[C@H]4CC[C@@H]([C@@H]3C(=O)[O-])O4
InChI: InChI=1S/C22H22FNO6S/c1-3-29-22(28)18-15(11-4-6-12(23)7-5-11)10(2)31-20(18)24-19(25)16-13-8-9-14(30-13)17(16)21(26)27/h4-7,13-14,16-17H,3,8-9H2,1-2H3,(H,24,25)(H,26,27)/p-1/t13-,14+,16+,17+/m1/s1
SMILES: CC(C)N1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)F
InChI: InChI=1S/C21H20FN5/c1-13(2)27-8-7-16-17(9-23)20(26)21(11-24,12-25)19(18(16)10-27)14-3-5-15(22)6-4-14/h3-7,13,17-19,26H,8,10H2,1-2H3/t17?,18-,19-/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5)OC(=O)C6=CC=C(C=C6)F
InChI: InChI=1S/C32H25FN2O6/c1-39-26-18-22(14-17-25(26)40-32(38)21-12-15-23(33)16-13-21)28-27-29(41-35(28)24-10-6-3-7-11-24)31(37)34(30(27)36)19-20-8-4-2-5-9-20/h2-18,27-29H,19H2,1H3/t27-,28-,29+/m1/s1
SMILES: CC1=N[C@@]2(C3=CC=CC=C3C(=O)[C@]2(C1C(=O)OCCOC(C)C)O)O
InChI: InChI=1S/C18H21NO6/c1-10(2)24-8-9-25-16(21)14-11(3)19-18(23)13-7-5-4-6-12(13)15(20)17(14,18)22/h4-7,10,14,22-23H,8-9H2,1-3H3/t14?,17-,18-/m0/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@@H]4CN5CCN(CC5)[C@@H](C6=CC=CC=C6)C7=CC=C(C=C7)Cl)C
InChI: InChI=1S/C32H39ClN2O3/c1-21-7-6-14-31(2)19-26-27(29-32(21,31)38-29)25(30(36)37-26)20-34-15-17-35(18-16-34)28(22-8-4-3-5-9-22)23-10-12-24(33)13-11-23/h3-5,8-13,21,25-29H,6-7,14-20H2,1-2H3/t21-,25+,26+,27+,28-,29-,31+,32-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C18H24N2O5/c1-11-6-4-9-16(12(11)2)19-17(21)13(3)25-18(22)14-7-5-8-15(10-14)20(23)24/h5,7-8,10-13,16H,4,6,9H2,1-3H3,(H,19,21)/t11-,12+,13+,16+/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)NC(=O)NC45CC6CC(C4)CC(C6)C5)CN(C)C[C@H](C7=CC(=CC=C7)O)O
InChI: InChI=1S/C39H49N3O6/c1-24-35(22-42(2)21-34(45)30-5-4-8-33(44)17-30)47-37(48-36(24)29-11-9-25(23-43)10-12-29)31-6-3-7-32(16-31)40-38(46)41-39-18-26-13-27(19-39)15-28(14-26)20-39/h3-12,16-17,24,26-28,34-37,43-45H,13-15,18-23H2,1-2H3,(H2,40,41,46)/t24-,26?,27?,28?,34-,35+,36+,37+,39?/m1/s1
SMILES: C[C@@]12CCC=C([C@@]13[C@H](C[C@@H]([C@@H](C2)O3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC
InChI: InChI=1S/C25H48O4Si2/c1-22(2,3)30(9,10)28-18-16-21(29-31(11,12)23(4,5)6)25-20(26-8)14-13-15-24(25,7)17-19(18)27-25/h14,18-19,21H,13,15-17H2,1-12H3/t18-,19+,21-,24-,25+/m0/s1
SMILES: CC1=CCC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@]5([C@H]4CC[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: CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(C)(C)O)C)O
InChI: InChI=1S/C21H32O3/c1-5-6-7-8-15-12-18(22)20(19(23)13-15)16-11-14(2)9-10-17(16)21(3,4)24/h11-13,16-17,22-24H,5-10H2,1-4H3/t16-,17-/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)F
InChI: InChI=1S/C24H16FNO2/c25-13-9-11-14(12-10-13)26-23(27)21-19-15-5-1-2-6-16(15)20(22(21)24(26)28)18-8-4-3-7-17(18)19/h1-12,19-22H/t19?,20?,21-,22-/m1/s1
SMILES: C=C1C[C@H]2[C@H]([C@@H]([C@@H]3[C@H]1C[C@@H](C3=C)O)OC(=O)C(=C)CO)C(=C)C(=O)O2
InChI: InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C15H21NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h9-13H,1-8H2/t9-,10+,12-,13-/m0/s1
SMILES: C[C@@H]([C@H]1[C@@H](CC2([C@@]1(CCC34[C@H]2CC[C@@H]5C3(C4)CC[C@@H](C5=C)NC)C)C)O)NC
InChI: InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23?,24?,25?/m0/s1
SMILES: C[C@]12CCC3(C([C@@H]1CC[C@@]4(C2=CC[C@@H]([C@@H]4O)C(=O)OC)C)(C)C)OCCO3
InChI: InChI=1S/C22H34O5/c1-19(2)15-8-9-21(4)16(7-6-14(17(21)23)18(24)25-5)20(15,3)10-11-22(19)26-12-13-27-22/h7,14-15,17,23H,6,8-13H2,1-5H3/t14-,15-,17-,20-,21+/m0/s1
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=C(C=CC(=C6)C#CC7(CCCCCC7)O)NC5=O)C8=CC=C(C=C8)O)C9=CC=CC=C9)C1=CC=CC=C1)OC
InChI: InChI=1S/C53H51N3O8/c1-62-42-30-37-24-28-55(32-38(37)31-43(42)63-2)49(58)44-46-50(59)64-47(35-15-9-6-10-16-35)45(34-13-7-5-8-14-34)56(46)48(36-18-20-39(57)21-19-36)53(44)40-29-33(17-22-41(40)54-51(53)60)23-27-52(61)25-11-3-4-12-26-52/h5-10,13-22,29-31,44-48,57,61H,3-4,11-12,24-26,28,32H2,1-2H3,(H,54,60)/t44-,45-,46-,47+,48+,53-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C20H27NO5/c1-14-6-4-5-7-16(14)21-19(22)13-26-20(23)11-9-15-8-10-17(24-2)18(12-15)25-3/h8-12,14,16H,4-7,13H2,1-3H3,(H,21,22)/b11-9+/t14-,16-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](S2)N3C=NC4=C(N=C(N=C43)N=[N+]=[N-])N=[N+]=[N-])OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C31H28N10O3S/c32-39-37-28-25-29(36-31(35-28)38-40-33)41(20-34-25)30-27(44-18-23-14-8-3-9-15-23)26(43-17-22-12-6-2-7-13-22)24(45-30)19-42-16-21-10-4-1-5-11-21/h1-15,20,24,26-27,30H,16-19H2/t24-,26-,27+,30+/m1/s1
SMILES: C[C@@H]1[C@H](C(=O)O[C@@H](O1)C(C)(C)C)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3N
InChI: InChI=1S/C22H27NO3S/c1-14-18(20(24)26-21(25-14)22(2,3)4)19(15-10-6-5-7-11-15)27-17-13-9-8-12-16(17)23/h5-14,18-19,21H,23H2,1-4H3/t14-,18+,19+,21-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=C(C=C5)O)OC)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl
InChI: InChI=1S/C36H31Cl2F3N4O6/c1-3-12-44-31(47)23-11-10-21-24(28(23)33(44)49)15-25-32(48)45(43-30-26(38)13-18(16-42-30)36(39,40)41)34(50)35(25,17-4-6-19(37)7-5-17)29(21)22-9-8-20(46)14-27(22)51-2/h4-10,13-14,16,23-25,28-29,46H,3,11-12,15H2,1-2H3,(H,42,43)/t23-,24+,25-,28-,29+,35+/m0/s1
SMILES: CCOC(=O)/C(=C/CC[C@]12C[C@H](C(=C)C1)C3(C[C@H]2C(=C)C)OCCO3)/Br
InChI: InChI=1S/C21H29BrO4/c1-5-24-19(23)18(22)7-6-8-20-11-15(4)17(12-20)21(25-9-10-26-21)13-16(20)14(2)3/h7,16-17H,2,4-6,8-13H2,1,3H3/b18-7-/t16-,17+,20+/m0/s1
SMILES: CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC[C@@H]3[C@@H]2CCCC3)NC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C25H27Cl2N3O3/c1-15(31)28-22-13-17(25(33)30-12-4-6-16-5-2-3-7-23(16)30)8-11-21(22)29-24(32)19-10-9-18(26)14-20(19)27/h8-11,13-14,16,23H,2-7,12H2,1H3,(H,28,31)(H,29,32)/t16-,23+/m1/s1
SMILES: CC1=C(C=C(C=C1)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)S(=O)(=O)C)C
InChI: InChI=1S/C18H26N2O3S/c1-12-4-7-16(8-13(12)2)20(24(3,22)23)11-18(21)19-17-10-14-5-6-15(17)9-14/h4,7-8,14-15,17H,5-6,9-11H2,1-3H3,(H,19,21)/t14-,15+,17-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=C(C(=C(C=C2)OC)OC)OC)/C#N
InChI: InChI=1S/C20H26N2O4/c1-13-7-5-6-8-16(13)22-20(23)15(12-21)11-14-9-10-17(24-2)19(26-4)18(14)25-3/h9-11,13,16H,5-8H2,1-4H3,(H,22,23)/b15-11+/t13-,16-/m0/s1
SMILES: COC1=CC=CC=C1C2=CC(=C(C(=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)O)OC
InChI: InChI=1S/C21H26O10/c1-27-12-7-5-4-6-10(12)11-8-13(28-2)16(24)20(29-3)19(11)31-21-18(26)17(25)15(23)14(9-22)30-21/h4-8,14-15,17-18,21-26H,9H2,1-3H3/t14-,15-,17+,18-,21+/m1/s1
SMILES: C1CC[C@H]([C@H](C1)O)O[C@H]2C(=O)[C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C33H32O10/c34-24-18-10-11-19-25(24)40-33-27(35)29(43-32(38)23-16-8-3-9-17-23)28(42-31(37)22-14-6-2-7-15-22)26(41-33)20-39-30(36)21-12-4-1-5-13-21/h1-9,12-17,24-26,28-29,33-34H,10-11,18-20H2/t24-,25+,26+,28+,29+,33+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3
InChI: InChI=1S/C19H22N2O5/c1-12-4-2-3-5-15(12)20-19(24)21-17(22)11-25-14-8-6-13-7-9-18(23)26-16(13)10-14/h6-10,12,15H,2-5,11H2,1H3,(H2,20,21,22,24)/t12-,15+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1CCC(=C)[C@@H]2[C@@]1(C(=O)[C@@H](C3=C([C@H](C[C@@]([C@H]2O)(C3(C)C)O)O[Si](CC)(CC)CC)C)O)C
InChI: InChI=1S/C32H58O6Si2/c1-12-39(13-2,14-3)37-23-20-32(36)28(34)25-21(7)18-19-24(38-40(15-4,16-5)17-6)31(25,11)29(35)27(33)26(22(23)8)30(32,9)10/h23-25,27-28,33-34,36H,7,12-20H2,1-6,8-11H3/t23-,24-,25-,27+,28-,31+,32+/m0/s1
SMILES: CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C.CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChI: InChI=1S/C25H34O6.C22H28FN3O6S/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26;1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3;5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b;10-9+/t16-,17-,18-,20+,21?,22+,23-,24-,25+;16-,17-/m01/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@@H](CO)OC)OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C17H22O7/c1-17(2)23-13-12(11(9-18)20-3)21-16(14(13)24-17)22-15(19)10-7-5-4-6-8-10/h4-8,11-14,16,18H,9H2,1-3H3/t11-,12-,13+,14+,16-/m1/s1
SMILES: CN(C)C(=O)[C@@H]1C[C@@H]([C@H](CN1)OCC2=CC3=C(C=C2)OCCN3CCCOC)C4=CC=C(C=C4)OC
InChI: InChI=1S/C28H39N3O5/c1-30(2)28(32)24-17-23(21-7-9-22(34-4)10-8-21)27(18-29-24)36-19-20-6-11-26-25(16-20)31(13-15-35-26)12-5-14-33-3/h6-11,16,23-24,27,29H,5,12-15,17-19H2,1-4H3/t23-,24+,27+/m1/s1
SMILES: C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C.C1=C(C(=O)NC(=O)N1)F
InChI: InChI=1S/C27H41NO5S.C4H3FN2O2/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21;5-2-1-6-4(9)7-3(2)8/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3;1H,(H2,6,7,8,9)/b16-11-,18-13+;/t17-,19+,22-,23-,25-;/m0./s1
SMILES: C[C@@H]1C=C([C@H]2[C@@H]([C@@H]1CO[C@@H]2C3=C[N+](=CC=C3)C)C)C
InChI: InChI=1S/C17H24NO/c1-11-8-12(2)16-13(3)15(11)10-19-17(16)14-6-5-7-18(4)9-14/h5-9,11,13,15-17H,10H2,1-4H3/q+1/t11-,13-,15-,16+,17-/m1/s1
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC3)F)C(=O)OCC4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N\OC)/C6=CSC(=N6)N)SC4)C(=O)O
InChI: InChI=1S/C30H30FN7O8S2/c1-3-36-10-16(24(39)15-8-17(31)20(9-19(15)36)37-6-4-5-7-37)29(44)46-11-14-12-47-27-22(26(41)38(27)23(14)28(42)43)34-25(40)21(35-45-2)18-13-48-30(32)33-18/h8-10,13,22,27H,3-7,11-12H2,1-2H3,(H2,32,33)(H,34,40)(H,42,43)/b35-21-/t22-,27-/m1/s1
SMILES: CNC1[C@H]2[C@@H]1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F
InChI: InChI=1S/C21H17F3N4O3/c1-25-17-11-6-27(7-12(11)17)20-15(24)5-10-18(29)13(21(30)31)8-28(19(10)26-20)16-3-2-9(22)4-14(16)23/h2-5,8,11-12,17,25H,6-7H2,1H3,(H,30,31)/t11-,12+,17?
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5)O
InChI: InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1
SMILES: C1C(=C(N2[C@H](O1)[C@@H](C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CCl
InChI: InChI=1S/C21H19ClN2O4/c22-11-15-12-27-20-16(23)19(25)24(20)17(15)21(26)28-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16,18,20H,11-12,23H2/t16-,20-/m1/s1
SMILES: CC[C@]1([C@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)OC)Br
InChI: InChI=1S/C12H19BrN2O6/c1-3-12(13)9(18)14-11(19)15(10(12)20-2)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10+,12-/m0/s1
SMILES: CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=S)N[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C23H29N3S/c1-16(2)26(20-6-4-3-5-7-20)21-12-10-19(11-13-21)24-23(27)25-22-15-17-8-9-18(22)14-17/h3-7,10-13,16-18,22H,8-9,14-15H2,1-2H3,(H2,24,25,27)/t17-,18-,22+/m0/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)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)CCCCCC(=O)O)I)O
InChI: InChI=1S/C41H38INO8/c1-51-32-20-24(19-31(42)38(32)48)36-26-16-17-27-35(40(50)43(39(27)49)18-10-4-9-15-34(45)46)29(26)21-30-37(47)28(23-11-5-2-6-12-23)22-33(44)41(30,36)25-13-7-3-8-14-25/h2-3,5-8,11-14,16,19-20,22,27,29-30,35-36,48H,4,9-10,15,17-18,21H2,1H3,(H,45,46)/t27-,29+,30-,35-,36-,41-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C23H22N2O5/c26-20(24-16-8-2-1-3-9-16)14-30-23(29)15-7-6-10-17(13-15)25-21(27)18-11-4-5-12-19(18)22(25)28/h1-3,6-10,13,18-19H,4-5,11-12,14H2,(H,24,26)/t18-,19+
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4)OC)F
InChI: InChI=1S/C24H27FN2O2S/c1-15-7-6-10-21(16(15)2)27-23(28)18-8-4-5-9-20(18)26-24(27)30-14-17-11-12-22(29-3)19(25)13-17/h4-5,8-9,11-13,15-16,21H,6-7,10,14H2,1-3H3/t15-,16-,21+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@@H](CO2)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)O
InChI: InChI=1S/C31H32N2O8/c1-19-17-33(30(37)32-28(19)36)29-27(35)26(34)25(18-40-29)41-31(20-7-5-4-6-8-20,21-9-13-23(38-2)14-10-21)22-11-15-24(39-3)16-12-22/h4-17,25-27,29,34-35H,18H2,1-3H3,(H,32,36,37)/t25-,26-,27-,29-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)C(=O)OC5=O)CN6CCC7(CC6)OCCO7
InChI: InChI=1S/C35H36N2O9/c1-21-29(19-37-13-11-35(12-14-37)42-15-16-43-35)44-34(45-30(21)23-7-5-22(20-38)6-8-23)25-3-2-4-26(17-25)36-31(39)24-9-10-27-28(18-24)33(41)46-32(27)40/h2-10,17-18,21,29-30,34,38H,11-16,19-20H2,1H3,(H,36,39)/t21-,29+,30+,34?/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1C=C(C(=O)[C@@H]1CC(C(CCCC(=O)OC)O)O)I)OC(=O)C
InChI: InChI=1S/C23H35IO7/c1-4-5-6-8-17(31-15(2)25)12-11-16-13-19(24)23(29)18(16)14-21(27)20(26)9-7-10-22(28)30-3/h11-13,16-18,20-21,26-27H,4-10,14H2,1-3H3/b12-11+/t16-,17-,18+,20?,21?/m0/s1
SMILES: CCC1=C(C=C2CCC3C(C2=C1)CC[C@]4(C3CC[C@@H]4OC)CC)OS(=O)(=O)N
InChI: InChI=1S/C22H33NO4S/c1-4-14-12-18-15(13-20(14)27-28(23,24)25)6-7-17-16(18)10-11-22(5-2)19(17)8-9-21(22)26-3/h12-13,16-17,19,21H,4-11H2,1-3H3,(H2,23,24,25)/t16?,17?,19?,21-,22-/m0/s1
SMILES: C1CN(CCC1C2=CC=CC=C2)C[C@H]3CC(C[C@@H]3C4=CSC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C28H33NS/c1-3-7-22(8-4-1)17-23-18-27(28(19-23)26-13-16-30-21-26)20-29-14-11-25(12-15-29)24-9-5-2-6-10-24/h1-10,13,16,21,23,25,27-28H,11-12,14-15,17-20H2/t23?,27-,28-/m1/s1
SMILES: CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C=C3OC(=O)C)C4SCCS4)OC2(C)C
InChI: InChI=1S/C21H26O3S2/c1-12-5-6-16-15(9-12)19-17(23-13(2)22)10-14(20-25-7-8-26-20)11-18(19)24-21(16,3)4/h5,10-11,15-16,20H,6-9H2,1-4H3/t15-,16-/m1/s1
SMILES: CC[C@]1(C[C@H]2CC[C@@](C3=C(CC[NH+](C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.C[O-]
InChI: InChI=1S/C47H60N4O9.CH3O/c1-8-43(55)25-29-15-18-45(41(53)58-6,37-31(16-21-50(26-29)27-43)30-13-10-11-14-34(30)48-37)33-23-32-35(24-36(33)57-5)49(4)39-46(32)19-22-51-20-12-17-44(9-2,38(46)51)40(60-28(3)52)47(39,56)42(54)59-7;1-2/h10-14,17,23-24,29,38-40,48,55-56H,8-9,15-16,18-22,25-27H2,1-7H3;1H3/q;-1/p+1/t29-,38+,39-,40-,43-,44-,45+,46-,47+;/m1./s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O)O)C)C)C2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,24+,28-,29+,30-,32?,33+,36+,37-,38-,39+/m1/s1