EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C=C(\C)/[C@H]([C@@H](C)C1=CC(=O)C2=C(C1=O)O[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(C(C[C@@H](O4)C(C)(C)O)O)C)C)OC(=O)C
InChI: InChI=1S/C30H42O9/c1-9-14(2)25(37-16(4)31)15(3)17-12-18(32)22-24(35)27-29(7,39-26(22)23(17)34)11-10-20-30(27,8)19(33)13-21(38-20)28(5,6)36/h9,12,15,19-21,24-25,27,33,35-36H,10-11,13H2,1-8H3/b14-9+/t15-,19?,20+,21+,24+,25+,27-,29+,30-/m0/s1
SMILES: COC1=CC2=C(C=C1)NC3=C2CCN4[C@H]3[C@H]5CCCC[C@@H]5C4
InChI: InChI=1S/C19H24N2O/c1-22-13-6-7-17-16(10-13)15-8-9-21-11-12-4-2-3-5-14(12)19(21)18(15)20-17/h6-7,10,12,14,19-20H,2-5,8-9,11H2,1H3/t12-,14+,19+/m1/s1
SMILES: CC(C)(C1=CN(N=N1)C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCC4=CC=CC=C4OC)O
InChI: InChI=1S/C22H31N5O3/c1-22(2,29)20-14-27(25-24-20)12-17-10-15-8-9-26(17)13-18(15)21(28)23-11-16-6-4-5-7-19(16)30-3/h4-7,14-15,17-18,29H,8-13H2,1-3H3,(H,23,28)/t15-,17+,18-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F
InChI: InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16-,17+,19+,20+,21?,22+/m1/s1
SMILES: CC1=CC=C(C=C1)O[C@@H]2CC[C@H]([C@H]2O)NCC3CCC4=C(C3=O)C=C(S4)C
InChI: InChI=1S/C22H27NO3S/c1-13-3-6-16(7-4-13)26-19-9-8-18(22(19)25)23-12-15-5-10-20-17(21(15)24)11-14(2)27-20/h3-4,6-7,11,15,18-19,22-23,25H,5,8-10,12H2,1-2H3/t15?,18-,19-,22-/m1/s1
SMILES: CC1=C(C(=NN1C)C)CN(C[C@H]2CCC=CC2)C(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C24H31N3O/c1-17-23(18(2)26(3)25-17)16-27(15-19-10-6-4-7-11-19)24(28)22-14-21(22)20-12-8-5-9-13-20/h4-6,8-9,12-13,19,21-22H,7,10-11,14-16H2,1-3H3/t19-,21+,22-/m1/s1
SMILES: CCOC(=O)N(CCCOC)C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4CCCCC4)O)C)C)O
InChI: InChI=1S/C36H55NO6/c1-5-43-34(40)37(21-10-22-42-4)25-36(41)20-18-32-30-17-15-27(24-31(30)33(39)28-12-7-6-8-13-28)23-29(38)16-14-26(2)11-9-19-35(32,36)3/h11,15,17,24,28-29,32,38,41H,5-10,12-14,16,18-23,25H2,1-4H3/t29-,32-,35-,36+/m0/s1
SMILES: CC[C@@]1(CO1)[C@@H]2C[C@@H]3[C@]4(C[C@@H]([C@H]2CO3)N)C5=C(C=C(C=C5)OC)NC4=O
InChI: InChI=1S/C20H26N2O4/c1-3-19(10-26-19)14-7-17-20(8-15(21)12(14)9-25-17)13-5-4-11(24-2)6-16(13)22-18(20)23/h4-6,12,14-15,17H,3,7-10,21H2,1-2H3,(H,22,23)/t12-,14+,15-,17+,19+,20-/m0/s1
SMILES: C1CC=C[C@@H]2[C@H](CC3=C(O2)C=C(C=C3)OCC4=CC=CC=C4)OC1
InChI: InChI=1S/C21H22O3/c1-3-7-16(8-4-1)15-23-18-11-10-17-13-21-19(24-20(17)14-18)9-5-2-6-12-22-21/h1,3-5,7-11,14,19,21H,2,6,12-13,15H2/t19-,21+/m1/s1
SMILES: CCC=CC(=O)N(C[C@@H]1CC[C@H]2C[C@@H]1C2(C)C)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C32H45IN2O7/c1-5-6-7-28(38)35(17-20-8-9-22-16-23(20)32(22,2)3)25-14-21(31(40)34-10-11-36)15-26(29(25)39)42-30-24(33)12-19(18-37)13-27(30)41-4/h6-7,12-13,15,20,22-23,25-26,29,36-37,39H,5,8-11,14,16-18H2,1-4H3,(H,34,40)/t20-,22-,23-,25+,26-,29-/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](CCN3C(=O)COCC(=O)O)NC2=O
InChI: InChI=1S/C19H23N3O6/c1-11(2)12-3-5-13(6-4-12)22-18(26)17-14(20-19(22)27)7-8-21(17)15(23)9-28-10-16(24)25/h3-6,11,14,17H,7-10H2,1-2H3,(H,20,27)(H,24,25)/t14-,17+/m1/s1
SMILES: CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OCC3=CC=CC=C3)C)OC(=O)CC(C)C
InChI: InChI=1S/C33H42N2O9/c1-6-7-14-25-29(44-27(37)17-20(2)3)22(5)43-33(40)28(21(4)42-32(25)39)35-31(38)24-15-11-16-26(34-19-36)30(24)41-18-23-12-9-8-10-13-23/h8-13,15-16,19-22,25,28-29H,6-7,14,17-18H2,1-5H3,(H,34,36)(H,35,38)/t21-,22+,25-,28+,29+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CN2C(=O)OC(=N2)C3=CC=CC=C3
InChI: InChI=1S/C19H23N3O5/c1-13-7-5-6-10-15(13)20-16(23)12-26-17(24)11-22-19(25)27-18(21-22)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H,20,23)/t13-,15-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H](CC2=O)CCCCC(=O)NCC4=CC=CC=C4OC)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C32H41NO4/c1-32-17-16-26-25-15-13-24(36-2)18-21(25)12-14-27(26)31(32)22(19-29(32)34)8-5-7-11-30(35)33-20-23-9-4-6-10-28(23)37-3/h4,6,9-10,13,15,18,22,26-27,31H,5,7-8,11-12,14,16-17,19-20H2,1-3H3,(H,33,35)/t22-,26-,27-,31+,32-/m1/s1
SMILES: CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1
SMILES: C1=CC=C(C=C1)CCCC(=O)O.C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
InChI: InChI=1S/C10H12O2.C9H11F2N3O4/c11-10(12)8-4-7-9-5-2-1-3-6-9;10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-3,5-6H,4,7-8H2,(H,11,12);1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t;4-,6-,7-/m.1/s1
SMILES: C1C[C@@H](NC1)[C@@H]2[C@@H]([C@H](CCOC2=O)SC3=CC=CC=C3)O
InChI: InChI=1S/C16H21NO3S/c18-15-13(21-11-5-2-1-3-6-11)8-10-20-16(19)14(15)12-7-4-9-17-12/h1-3,5-6,12-15,17-18H,4,7-10H2/t12-,13+,14-,15-/m1/s1
SMILES: C[C@@H]1CCCN1CCOC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O.Cl
InChI: InChI=1S/C27H29NO4S.ClH/c1-18-4-3-13-28(18)14-15-31-23-10-7-19(8-11-23)26-27(20-5-2-6-21(29)16-20)33-25-17-22(30)9-12-24(25)32-26;/h2,5-12,16-18,26-27,29-30H,3-4,13-15H2,1H3;1H/t18-,26+,27-;/m1./s1
SMILES: CCCC[C@@]1(C[C@H]1[C@@H](C2=CC=CC=C2)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C27H32NOP/c1-3-4-20-27(2)21-25(27)26(22-14-8-5-9-15-22)28-30(29,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-26H,3-4,20-21H2,1-2H3,(H,28,29)/t25-,26+,27+/m0/s1
SMILES: CCOCC(=O)N([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO)C3CCCC3
InChI: InChI=1S/C26H37IN2O8/c1-3-36-15-23(32)29(18-6-4-5-7-18)20-12-17(26(34)28-8-9-30)13-21(24(20)33)37-25-19(27)10-16(14-31)11-22(25)35-2/h10-11,13,18,20-21,24,30-31,33H,3-9,12,14-15H2,1-2H3,(H,28,34)/t20-,21+,24+/m1/s1
SMILES: C[C@@]1(C=CC([C@@H]2[C@@H]1C(=O)N(C2=O)CC=C)(C)C)O
InChI: InChI=1S/C14H19NO3/c1-5-8-15-11(16)9-10(12(15)17)14(4,18)7-6-13(9,2)3/h5-7,9-10,18H,1,8H2,2-4H3/t9-,10-,14+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=NC(=C([C@H](C2C1=O)C3=CC=CC=C3Cl)C(=O)OCC)C)C4=CC=CC=C4OC
InChI: InChI=1S/C29H30ClNO6/c1-5-36-28(33)23-16(3)31-21-15-19(17-11-8-10-14-22(17)35-4)25(29(34)37-6-2)27(32)26(21)24(23)18-12-7-9-13-20(18)30/h7-14,19,24-26H,5-6,15H2,1-4H3/t19-,24-,25-,26?/m1/s1
SMILES: CC1=N[C@H]([C@@H]([C@@H](C1C(=O)C)C2=CN=CC=C2)C#N)S
InChI: InChI=1S/C14H15N3OS/c1-8-12(9(2)18)13(10-4-3-5-16-7-10)11(6-15)14(19)17-8/h3-5,7,11-14,19H,1-2H3/t11-,12?,13+,14+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)NC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)CNC7=C(C(=O)C7=O)OC)O)O
InChI: InChI=1S/C36H34N6O8/c1-47-23-13-9-21(10-14-23)36(20-7-5-4-6-8-20,22-11-15-24(48-2)16-12-22)41-33-27-34(39-18-38-33)42(19-40-27)35-31(46)28(43)25(50-35)17-37-26-29(44)30(45)32(26)49-3/h4-16,18-19,25,28,31,35,37,43,46H,17H2,1-3H3,(H,38,39,41)/t25-,28-,31-,35-/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(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)OC
InChI: InChI=1S/C31H50O5/c1-19-10-15-31(25(34)36-7)17-16-28(4)20(24(31)30(19,6)35)8-9-22-26(2)13-12-23(33)27(3,18-32)21(26)11-14-29(22,28)5/h8,19,21-24,32-33,35H,9-18H2,1-7H3/t19-,21-,22-,23+,24-,26+,27+,28-,29-,30-,31+/m1/s1
SMILES: C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@]1([C@H](C[C@@H]3[C@@]2(CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C26H43NO6/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-25(18,3)21(29)13-20-24(2)10-9-17(28)12-16(24)8-11-26(19,20)33/h15-21,28-29,33H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18+,19-,20+,21+,24+,25-,26+/m1/s1
SMILES: C[C@]1([C@H]2CCO[C@@H]2C3=C(N1)C=CC(=C3)Cl)C4=CC=C(C=C4)C#N
InChI: InChI=1S/C19H17ClN2O/c1-19(13-4-2-12(11-21)3-5-13)16-8-9-23-18(16)15-10-14(20)6-7-17(15)22-19/h2-7,10,16,18,22H,8-9H2,1H3/t16-,18+,19+/m0/s1
SMILES: CCO[C@H]1[C@@H](CC(=O)O1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C24H30F3N3O6/c1-4-35-23-16(12-18(31)36-23)28-21(33)17-10-7-11-30(17)22(34)19(13(2)3)29-20(32)14-8-5-6-9-15(14)24(25,26)27/h5-6,8-9,13,16-17,19,23H,4,7,10-12H2,1-3H3,(H,28,33)(H,29,32)/t16-,17+,19+,23-/m1/s1
SMILES: CCOC(=O)N(CCC1=CC=CS1)C[C@@]2(CC[C@@H]3[C@@]2(CCC=C(CC[C@@H](CC4=CC(=C3C=C4)C(=O)C5=CC=CC=C5)O)C)C)O
InChI: InChI=1S/C38H47NO5S/c1-4-44-36(42)39(22-19-31-13-9-23-45-31)26-38(43)21-18-34-32-17-15-28(25-33(32)35(41)29-11-6-5-7-12-29)24-30(40)16-14-27(2)10-8-20-37(34,38)3/h5-7,9-13,15,17,23,25,30,34,40,43H,4,8,14,16,18-22,24,26H2,1-3H3/t30-,34-,37-,38+/m0/s1
SMILES: C[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](CC2=CC(=CC(=C2)F)F)NC(=O)C)O)OCC(C)(C)C
InChI: InChI=1S/C21H32F2N2O4/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26)/t12-,17-,18+,19-,20-/m0/s1
SMILES: C[C@H]1C/C(=C/C=C/C([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C
InChI: InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28?,30-,31+,32+,33+,35+/m0/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)COC3=CC=C(C=C3)Br)S(=O)(=O)C1)C(=O)OC
InChI: InChI=1S/C17H17BrN2O7S/c1-9-8-28(24,25)16-13(15(22)20(16)14(9)17(23)26-2)19-12(21)7-27-11-5-3-10(18)4-6-11/h3-6,13,16H,7-8H2,1-2H3,(H,19,21)/t13-,16-/m1/s1
SMILES: CC(=CC[C@@H]1[C@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)CNC4=CC=C(C=C4)OCCOC(=O)C)OC)C
InChI: InChI=1S/C28H39NO8/c1-18(2)6-11-23-27(4,37-23)26-25(32-5)22(12-13-28(26)17-35-28)36-24(31)16-29-20-7-9-21(10-8-20)34-15-14-33-19(3)30/h6-10,22-23,25-26,29H,11-17H2,1-5H3/t22-,23-,25-,26-,27-,28+/m1/s1
SMILES: CC1=C2CC[C@@H]3[C@H]2[C@H](C1=O)C[C@@H]3O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C27H32O2Si/c1-18-21-15-16-22-24(17-23(25(21)22)26(18)28)29-30(27(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,22-25H,15-17H2,1-4H3/t22-,23+,24-,25-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](C=C[C@@H]([C@H]2O1)O)NC(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C17H21NO5/c1-17(2)22-14-12(8-9-13(19)15(14)23-17)18-16(20)21-10-11-6-4-3-5-7-11/h3-9,12-15,19H,10H2,1-2H3,(H,18,20)/t12-,13+,14+,15-/m1/s1
SMILES: CCC1(O[C@@H](C(=C)O1)[C@@H]([C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O[Si](C)(C)C)CC
InChI: InChI=1S/C39H52O8Si/c1-8-39(9-2)45-28(3)32(46-39)36(47-48(5,6)7)35-33(41-25-29-19-13-10-14-20-29)34(42-26-30-21-15-11-16-22-30)37(38(40-4)44-35)43-27-31-23-17-12-18-24-31/h10-24,32-38H,3,8-9,25-27H2,1-2,4-7H3/t32-,33-,34-,35-,36-,37+,38-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](OC1=O)COC(=O)C(C)(C)C)OC(=S)SC)[C@@H](CC#C)OC
InChI: InChI=1S/C18H26O6S2/c1-8-9-12(21-6)18(5)13(24-16(25)26-7)11(23-15(18)20)10-22-14(19)17(2,3)4/h1,11-13H,9-10H2,2-7H3/t11-,12-,13-,18-/m1/s1
SMILES: C[C@@]12C[C@@](CC(C1)(C)C3=N[C@H]([C@@H](O3)C4=CC=CC=C4)C5=CC=CC=C5)(C(=O)NC2=O)C
InChI: InChI=1S/C26H28N2O3/c1-24-14-25(2,22(30)28-21(24)29)16-26(3,15-24)23-27-19(17-10-6-4-7-11-17)20(31-23)18-12-8-5-9-13-18/h4-13,19-20H,14-16H2,1-3H3,(H,28,29,30)/t19-,20-,24-,25+,26?/m0/s1
SMILES: C1[C@H]([C@H]([C@H]([C@@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O)N4C=C(C(=O)NC4=O)Br
InChI: InChI=1S/C24H25BrN2O5/c25-19-12-27(24(30)26-23(19)29)20-11-21(32-14-17-9-5-2-6-10-17)18(22(20)28)15-31-13-16-7-3-1-4-8-16/h1-10,12,18,20-22,28H,11,13-15H2,(H,26,29,30)/t18-,20+,21+,22-/m0/s1
SMILES: CC1=CC[C@H]2CCC3C4CC[C@]([C@]4(CCC3[C@]2(C1)C)C)(C(F)(F)F)O
InChI: InChI=1S/C21H31F3O/c1-13-4-5-14-6-7-15-16(18(14,2)12-13)8-10-19(3)17(15)9-11-20(19,25)21(22,23)24/h4,14-17,25H,5-12H2,1-3H3/t14-,15?,16?,17?,18-,19-,20-/m0/s1
SMILES: CC(=O)OCC([C@]1(CC[C@@H]2[C@]3(CCC[C@@]([C@@H]3[C@@H](C[C@]2(O1)C)O)(C)COC(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C26H42O8/c1-16(27)31-14-21(33-18(3)29)25(6)12-9-20-24(5)11-8-10-23(4,15-32-17(2)28)22(24)19(30)13-26(20,7)34-25/h19-22,30H,8-15H2,1-7H3/t19-,20-,21?,22+,23+,24-,25-,26-/m1/s1
SMILES: C[C@H]1[C@H](O[C@](C[C@@H]1C[Se]C2=CC=CC=C2)([C@@H](C(=O)N[C@@H]3[C@@H]4[C@@H]([C@H](C([C@H](O4)C[C@H]5COC(=O)O5)(C)C)OC)OCO3)OC(=O)C6=CC=CC=C6)OC)C
InChI: InChI=1S/C38H49NO12Se/c1-22-23(2)51-38(44-6,18-25(22)20-52-27-15-11-8-12-16-27)32(50-35(41)24-13-9-7-10-14-24)33(40)39-34-30-29(46-21-47-34)31(43-5)37(3,4)28(49-30)17-26-19-45-36(42)48-26/h7-16,22-23,25-26,28-32,34H,17-21H2,1-6H3,(H,39,40)/t22-,23+,25+,26-,28+,29-,30-,31+,32+,34-,38+/m0/s1
SMILES: CC(C)C(=O)[15NH]C1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2[13C@H]5[13C@@H]([13C@@H]([13C@H](O5)[13CH2]O)O)O
InChI: InChI=1S/C27H28N6O7/c1-15(2)23(37)30-26-29-22-19(28-14-32(22)25-21(36)20(35)18(13-34)39-25)24(31-26)40-27(38)33(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,18,20-21,25,34-36H,13H2,1-2H3,(H,29,30,31,37)/t18-,20-,21-,25-/m1/s1/i13+1,18+1,20+1,21+1,25+1,30+1
SMILES: CC1=NC(=CC=C1)NC(=O)CC[C@]23C=C[C@H](O2)[C@H]4[C@@H]3C(=O)N(C4=O)CCC(=O)OC
InChI: InChI=1S/C21H23N3O6/c1-12-4-3-5-14(22-12)23-15(25)7-10-21-9-6-13(30-21)17-18(21)20(28)24(19(17)27)11-8-16(26)29-2/h3-6,9,13,17-18H,7-8,10-11H2,1-2H3,(H,22,23,25)/t13-,17-,18+,21-/m0/s1
SMILES: COC(=O)[C@H]1[C@@H](C=C[C@H]2[C@H]1C(=O)OC2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C17H16O6/c1-21-16(19)14-12(8-7-11-9-22-17(20)13(11)14)23-15(18)10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/t11-,12-,13-,14+/m1/s1
SMILES: C[C@]12C[C@]3([C@](C4=CC=CC=C4N3CC=C)(C)O)O[C@]1(C5=CC=CC=C5N2CC=C)C
InChI: InChI=1S/C26H30N2O2/c1-6-16-27-22-15-11-9-13-20(22)25(5)23(27,3)18-26(30-25)24(4,29)19-12-8-10-14-21(19)28(26)17-7-2/h6-15,29H,1-2,16-18H2,3-5H3/t23-,24+,25-,26+/m0/s1
SMILES: CC1=CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H20FNO4/c1-14-2-11-19-20(12-14)23(28)25(22(19)27)17-7-9-18(10-8-17)29-13-21(26)15-3-5-16(24)6-4-15/h2-10,19-20H,11-13H2,1H3/t19-,20+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2CCC(CC2)(C3=CC=CC=C3F)O
InChI: InChI=1S/C20H29FN2O2/c1-15-6-2-5-9-18(15)22-19(24)14-23-12-10-20(25,11-13-23)16-7-3-4-8-17(16)21/h3-4,7-8,15,18,25H,2,5-6,9-14H2,1H3,(H,22,24)/t15-,18-/m1/s1
SMILES: CCOCCC[C@H](C(=O)OCCCOCC)[C@]1(CCCC[C@@H]1[S@@](=O)C2=CC=C(C=C2)C)O
InChI: InChI=1S/C25H40O6S/c1-4-29-17-8-10-22(24(26)31-19-9-18-30-5-2)25(27)16-7-6-11-23(25)32(28)21-14-12-20(3)13-15-21/h12-15,22-23,27H,4-11,16-19H2,1-3H3/t22-,23+,25+,32+/m1/s1
SMILES: COC1=C(C=C(C=C1)C(=O)N2CCC[C@@H]3[C@H]2CCCC3)S(=O)(=O)N4CCCC4
InChI: InChI=1S/C21H30N2O4S/c1-27-19-11-10-17(15-20(19)28(25,26)22-12-4-5-13-22)21(24)23-14-6-8-16-7-2-3-9-18(16)23/h10-11,15-16,18H,2-9,12-14H2,1H3/t16-,18-/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C(=O)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C23H40N2O8Si2/c1-13(2)34(14(3)4)30-12-19-18(32-35(33-34,15(5)6)16(7)8)10-20(31-19)25-11-17(22(27)29-9)21(26)24-23(25)28/h11,13-16,18-20H,10,12H2,1-9H3,(H,24,26,28)/t18-,19+,20+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NN=CN2C3=CC=CC=C3C)C(C)C
InChI: InChI=1S/C21H29N3O2S/c1-14(2)17-10-9-15(3)11-19(17)26-20(25)12-27-21-23-22-13-24(21)18-8-6-5-7-16(18)4/h5-8,13-15,17,19H,9-12H2,1-4H3/t15-,17-,19+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3C(=O)C[C@@H](C=C3NC4=CC=CC=C4N2)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C27H26ClN3O/c1-31(2)21-13-9-18(10-14-21)27-26-24(29-22-5-3-4-6-23(22)30-27)15-19(16-25(26)32)17-7-11-20(28)12-8-17/h3-15,19,26-27,29-30H,16H2,1-2H3/t19-,26+,27-/m1/s1
SMILES: C/C/1=C\[C@@H]([C@@H](CCC(=C)[C@H](CC1)O)C(=O)C)OC(=O)/C=C/C(C)(C)O
InChI: InChI=1S/C20H30O5/c1-13-6-9-17(22)14(2)7-8-16(15(3)21)18(12-13)25-19(23)10-11-20(4,5)24/h10-12,16-18,22,24H,2,6-9H2,1,3-5H3/b11-10+,13-12+/t16-,17-,18-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=CC=C3)C/C=C/C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C26H22F3NO2/c1-32-22-16-12-19(13-17-22)24-23(25(31)30(24)21-7-3-2-4-8-21)9-5-6-18-10-14-20(15-11-18)26(27,28)29/h2-8,10-17,23-24H,9H2,1H3/b6-5+/t23-,24-/m1/s1
SMILES: CCNC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N3C(=NN=N3)OC4=CC=CC(=C4)N5CCOCC5
InChI: InChI=1S/C20H27N7O5/c1-2-21-19(28)22-15-11-30-18-16(12-31-17(15)18)27-20(23-24-25-27)32-14-5-3-4-13(10-14)26-6-8-29-9-7-26/h3-5,10,15-18H,2,6-9,11-12H2,1H3,(H2,21,22,28)/t15-,16-,17+,18+/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)C4=CN=CC=C4)CN5C=NC(=C5Cl)Cl
InChI: InChI=1S/C28H26Cl2N4O4/c1-17-23(14-34-16-32-25(29)26(34)30)37-28(38-24(17)19-9-7-18(15-35)8-10-19)20-4-2-6-22(12-20)33-27(36)21-5-3-11-31-13-21/h2-13,16-17,23-24,28,35H,14-15H2,1H3,(H,33,36)/t17-,23+,24+,28+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21+,22-,23+,24+,25+,26-,27+,28+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)O
InChI: InChI=1S/C19H31N3O10S/c23-6-10(25)15(27)16-14(9(24)5-19(31,32-16)17(28)29)21-12(26)4-2-1-3-11-13-8(7-33-11)20-18(30)22-13/h8-11,13-16,23-25,27,31H,1-7H2,(H,21,26)(H,28,29)(H2,20,22,30)/t8-,9-,10+,11-,13-,14+,15+,16+,19-/m0/s1
SMILES: CC1=CC[C@@H]2C[C@@H]1[C@H](OC2)C3=C[N+](=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C21H24NO/c1-16-9-10-18-12-20(16)21(23-15-18)19-8-5-11-22(14-19)13-17-6-3-2-4-7-17/h2-9,11,14,18,20-21H,10,12-13,15H2,1H3/q+1/t18-,20+,21-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N(C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7CCCCC7)C)O)CC89CC1CC(C8)CC(C1)C9
InChI: InChI=1S/C49H68N2O4/c1-32(36-10-6-4-7-11-36)50-43(54)51(30-46-25-33-22-34(26-46)24-35(23-33)27-46)31-48(55)19-16-41-45(48,3)18-15-40-44(2)17-14-38(52)28-47(44)20-21-49(40,41)39(29-47)42(53)37-12-8-5-9-13-37/h4,6-7,10-11,20-21,29,32-35,37-38,40-41,52,55H,5,8-9,12-19,22-28,30-31H2,1-3H3,(H,50,54)/t32-,33?,34?,35?,38?,40-,41-,44-,45+,46?,47+,48-,49-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C22H23N3O4/c1-14-6-2-5-9-18(14)25-21(28)20(27)24(22(25)29)13-19(26)23-17-11-10-15-7-3-4-8-16(15)12-17/h3-4,7-8,10-12,14,18H,2,5-6,9,13H2,1H3,(H,23,26)/t14-,18-/m0/s1
SMILES: CC[C@@]1([C@H](OC(=O)C(C1=O)(C)C)C2=CC=C(C=C2)Cl)Br
InChI: InChI=1S/C15H16BrClO3/c1-4-15(16)11(9-5-7-10(17)8-6-9)20-13(19)14(2,3)12(15)18/h5-8,11H,4H2,1-3H3/t11-,15+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)C(=O)N(C4=O)CCCCCC(=O)O)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C40H38ClFN2O8/c1-40-29(37(49)44(39(40)51)23-11-16-31(42)30(41)18-23)20-28-25(14-15-27-34(28)38(50)43(36(27)48)17-7-3-6-10-33(46)47)35(40)26-13-12-24(19-32(26)45)52-21-22-8-4-2-5-9-22/h2,4-5,8-9,11-14,16,18-19,27-29,34-35,45H,3,6-7,10,15,17,20-21H2,1H3,(H,46,47)/t27-,28+,29-,34-,35+,40+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C(C=CC(=C23)[N+](=O)[O-])Cl)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H13Cl3N2O2/c19-9-4-5-12(14(21)8-9)17-11-3-1-2-10(11)16-15(23(24)25)7-6-13(20)18(16)22-17/h1-2,4-8,10-11,17,22H,3H2/t10-,11-,17+/m1/s1
SMILES: CO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O
InChI: InChI=1S/C13H17NO8/c1-20-12-11(17)10(16)9(6-15)22-13(12)21-8-4-2-7(3-5-8)14(18)19/h2-5,9-13,15-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=C(C=C3)C=CC4CCC5C(C4)O5)C(=O)N(C)[C@H](CC6=CC=CC=C6)C(=O)NCCO)CCCCC
InChI: InChI=1S/C45H60N2O8/c1-4-6-11-23-45(24-12-7-5-2)54-40-30-35(43(50)47(3)36(42(49)46-25-26-48)27-32-13-9-8-10-14-32)29-39(41(40)55-45)53-44(51)34-20-17-31(18-21-34)15-16-33-19-22-37-38(28-33)52-37/h8-10,13-18,20-21,30,33,36-41,48H,4-7,11-12,19,22-29H2,1-3H3,(H,46,49)/t33?,36-,37?,38?,39-,40-,41+/m1/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)NC(=O)CCCCC(=O)ON6C(=O)CCC6=O)O
InChI: InChI=1S/C37H40N2O16/c1-16-32(46)19(38-23(42)8-3-4-9-26(45)55-39-24(43)10-11-25(39)44)12-27(53-16)54-21-14-37(51,22(41)15-40)13-18-29(21)36(50)31-30(34(18)48)33(47)17-6-5-7-20(52-2)28(17)35(31)49/h5-7,16,19,21,27,32,40,46,48,50-51H,3-4,8-15H2,1-2H3,(H,38,42)/t16-,19-,21-,27-,32+,37-/m0/s1
SMILES: CCCC[C@H]([C@@H](C)CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C51H80O11Si/c1-18-19-30-37(34(2)31-32-57-63(51(15,16)17,35-26-22-20-23-27-35)36-28-24-21-25-29-36)58-42-41(62-46(55)50(12,13)14)40(61-45(54)49(9,10)11)39(60-44(53)48(6,7)8)38(59-42)33-56-43(52)47(3,4)5/h20-29,34,37-42H,18-19,30-33H2,1-17H3/t34-,37+,38+,39+,40-,41+,42+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17?/m1/s1
SMILES: CCC[C@H]1[C@@H]2CCC3=C([C@H]2CC[C@]1(C)C=NC4=CC(=CC=C4)Br)C=CC(=C3)OC
InChI: InChI=1S/C26H32BrNO/c1-4-6-25-24-11-9-18-15-21(29-3)10-12-22(18)23(24)13-14-26(25,2)17-28-20-8-5-7-19(27)16-20/h5,7-8,10,12,15-17,23-25H,4,6,9,11,13-14H2,1-3H3/t23-,24-,25+,26-/m1/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]3OC5(O4)CC6=CC=CC=C6C5)C(=O)N(C)[C@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C
InChI: InChI=1S/C51H58N2O13/c1-49(2,3)65-42(56)23-21-37(29-54)52-45(57)38(24-32-12-8-7-9-13-32)53(6)46(58)36-25-39(43-40(26-36)64-51(66-43)27-34-14-10-11-15-35(34)28-51)62-47(59)33-19-16-31(17-20-33)18-22-41(55)63-44-48(60)61-30-50(44,4)5/h7-20,22,26,37-40,43-44,54H,21,23-25,27-30H2,1-6H3,(H,52,57)/t37-,38+,39+,40+,43-,44-/m0/s1
SMILES: CC1=C[C@@H]2[C@H](C[C@@H]1N3C(=O)N(C(=O)N3)CC4=CC=CC=C4)C(=O)N(C2=O)C5=CC=CC=C5
InChI: InChI=1S/C24H22N4O4/c1-15-12-18-19(22(30)27(21(18)29)17-10-6-3-7-11-17)13-20(15)28-24(32)26(23(31)25-28)14-16-8-4-2-5-9-16/h2-12,18-20H,13-14H2,1H3,(H,25,31)/t18-,19+,20+/m1/s1
SMILES: CC[C@@H](CCCCC[C@@H](C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC
InChI: InChI=1S/C24H46O12/c1-5-14(34-24-22(32-4)20(30)18(28)16(12-26)36-24)10-8-6-7-9-13(2)33-23-21(31-3)19(29)17(27)15(11-25)35-23/h13-30H,5-12H2,1-4H3/t13-,14+,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCOCC2)C3=CC4=C(C=C3)OCO4)CCCO
InChI: InChI=1S/C22H29NO7/c1-2-27-22-16(4-3-9-24)17(15-5-6-18-19(12-15)29-14-28-18)13-20(30-22)21(25)23-7-10-26-11-8-23/h5-6,12-13,16-17,22,24H,2-4,7-11,14H2,1H3/t16-,17-,22-/m1/s1
SMILES: CC(=O)C1=C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI: InChI=1S/C21H32O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h11,13-16,18-19,23-24H,4-10H2,1-3H3/t13-,14-,15+,16-,18+,19+,20-,21+/m0/s1
SMILES: CC1=CC(=CC=C1)NC(=O)[C@@H](C)NC(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C22H30N2O7/c1-11-8-7-9-13(10-11)24-18(25)12(2)23-19(26)16-14-15(29-21(3,4)28-14)17-20(27-16)31-22(5,6)30-17/h7-10,12,14-17,20H,1-6H3,(H,23,26)(H,24,25)/t12-,14-,15+,16+,17-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C[C@H]4[C@H]5C6=C(C[C@H](N5C)CN4CC3=C7C(=C2C)OCO7)C=C(C(=C6O)OC)C
InChI: InChI=1S/C31H34N2O7S/c1-16-6-8-21(9-7-16)41(35,36)40-29-18(3)30-31(39-15-38-30)23-14-33-13-20-11-19-10-17(2)28(37-5)27(34)25(19)26(32(20)4)24(33)12-22(23)29/h6-10,20,24,26,34H,11-15H2,1-5H3/t20-,24-,26-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)C)C)C[C@@]3(CC[C@H]2[C@@]1(C)C(=O)O)C)C
InChI: InChI=1S/C34H52O6/c1-20(35)39-27-14-17-32(6)23-10-12-25-31(5,19-22(23)9-11-24(32)30(27,3)4)16-13-26-33(25,7)18-15-28(40-21(2)36)34(26,8)29(37)38/h9,23-28H,10-19H2,1-8H3,(H,37,38)/t23-,24-,25-,26+,27+,28-,31-,32+,33+,34+/m0/s1
SMILES: C[C@@]1(C[C@@H]([C@H]2CCCC[C@@]23[C@]1([C@@H](C4=CC=CC=C4O3)O)C)C5=CC=CS5)O
InChI: InChI=1S/C23H28O3S/c1-21(25)14-16(19-11-7-13-27-19)17-9-5-6-12-23(17)22(21,2)20(24)15-8-3-4-10-18(15)26-23/h3-4,7-8,10-11,13,16-17,20,24-25H,5-6,9,12,14H2,1-2H3/t16-,17+,20+,21-,22-,23-/m0/s1
SMILES: CCOC1=C(C=C(C=C1)C(=O)C)CSCC(=O)N[C@H]2CCC[C@H]([C@@H]2C)C
InChI: InChI=1S/C21H31NO3S/c1-5-25-20-10-9-17(16(4)23)11-18(20)12-26-13-21(24)22-19-8-6-7-14(2)15(19)3/h9-11,14-15,19H,5-8,12-13H2,1-4H3,(H,22,24)/t14-,15+,19+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)O[C@H]3[C@H](C=CO[C@@H]3COC(=O)CCC(=O)C)OCC4=CC=CC=C4)O)OC(=O)O2
InChI: InChI=1S/C34H50O12Si/c1-20(2)47(21(3)4,22(5)6)42-19-27-31-32(46-34(38)45-31)29(37)33(43-27)44-30-25(40-17-24-11-9-8-10-12-24)15-16-39-26(30)18-41-28(36)14-13-23(7)35/h8-12,15-16,20-22,25-27,29-33,37H,13-14,17-19H2,1-7H3/t25-,26+,27+,29+,30-,31-,32+,33-/m0/s1
SMILES: CC1=CC(=CC2=C1NC[C@H]3[C@@H]2CNC3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H18Cl2N2/c1-10-4-11(14-3-2-13(19)6-17(14)20)5-15-16-9-21-7-12(16)8-22-18(10)15/h2-6,12,16,21-22H,7-9H2,1H3/t12-,16-/m0/s1