EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)[C@@H]1C[C@H]([C@@H](N1C(=O)OC(C)(C)C)CC[C@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C32H42N2O8/c1-6-40-29(36)27-20-24(19-22-13-9-7-10-14-22)26(34(27)31(38)42-32(2,3)4)18-17-25(28(35)39-5)33-30(37)41-21-23-15-11-8-12-16-23/h7-16,24-27H,6,17-21H2,1-5H3,(H,33,37)/t24-,25-,26+,27+/m1/s1
SMILES: C[C@@]1(CS(=O)(=O)C[C@H]1S(=O)(=O)O)NC(=O)CC[N+](C)(C)CCO
InChI: InChI=1S/C12H24N2O7S2/c1-12(9-22(17,18)8-10(12)23(19,20)21)13-11(16)4-5-14(2,3)6-7-15/h10,15H,4-9H2,1-3H3,(H-,13,16,19,20,21)/p+1/t10-,12+/m1/s1
SMILES: CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O
InChI: InChI=1S/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,14,16,18-23,31-33H,9-10H2,1-6H3/b12-8+/t14-,16+,18+,19+,20+,21+,22+,23-,26-,27+,28+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI: InChI=1S/C18H22F3N3O5/c1-11-4-2-3-5-13(11)23-16(25)10-29-17(26)9-22-14-7-6-12(18(19,20)21)8-15(14)24(27)28/h6-8,11,13,22H,2-5,9-10H2,1H3,(H,23,25)/t11-,13-/m0/s1
SMILES: CC(C)C1=C2C3=CC(O[C@H]([C@@]3(CC[C@]2(CC1)C)C)CCC=O)O
InChI: InChI=1S/C20H30O3/c1-13(2)14-7-8-19(3)9-10-20(4)15(18(14)19)12-17(22)23-16(20)6-5-11-21/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17?,19+,20+/m0/s1
SMILES: CN(C)C[C@@H]1CSCC[C@@]1(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C16H19F6NOS/c1-23(2)8-13-9-25-4-3-14(13,24)10-5-11(15(17,18)19)7-12(6-10)16(20,21)22/h5-7,13,24H,3-4,8-9H2,1-2H3/t13-,14+/m1/s1
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)CC[C@]34COC(=O)CCC(=O)O)C
InChI: InChI=1S/C25H34O6/c1-15(26)19-5-6-20-18-4-3-16-13-17(27)9-12-25(16,21(18)10-11-24(19,20)2)14-31-23(30)8-7-22(28)29/h13,18-21H,3-12,14H2,1-2H3,(H,28,29)/t18-,19-,20-,21-,24-,25-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@@H]2C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C17H18N2O3S/c1-12-7-9-14(10-8-12)23(21,22)19-17(20)18-16-11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3,(H2,18,19,20)/t15-,16+/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C(=O)N
InChI: InChI=1S/C35H30ClFN4O7/c1-2-48-26-5-3-4-23(29(26)42)28-21-14-15-22-27(32(45)40(30(22)43)34(38)47)24(21)16-25-31(44)41(39-20-12-10-19(37)11-13-20)33(46)35(25,28)17-6-8-18(36)9-7-17/h3-14,22,24-25,27-28,39,42H,2,15-16H2,1H3,(H2,38,47)/t22-,24+,25-,27-,28+,35+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2O)SCC3=CC=CC=C3
InChI: InChI=1S/C17H24OS/c1-16(2)13-9-10-17(16,3)15(18)14(13)19-11-12-7-5-4-6-8-12/h4-8,13-15,18H,9-11H2,1-3H3/t13-,14-,15-,17+/m1/s1
SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O
InChI: InChI=1S/C16H17F2N3O7/c17-7-1-2-8(9(18)3-7)10(4-21-6-19-5-20-21)27-16-13(24)11(22)12(23)14(28-16)15(25)26/h1-3,5-6,10-14,16,22-24H,4H2,(H,25,26)/t10?,11-,12-,13+,14-,16+/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C3(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C25H21NO2/c1-16-13-14-20(17(2)15-16)26-23(27)21-22(24(26)28)25(21,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21-22H,1-2H3/t21-,22+
SMILES: CC[C@@]1(COC(O1)(C)C)C[C@H]2CC(=C3[C@]4([C@@H]2N(CC4)[C@@H](C)[C]5[CH][CH][CH][CH]5)C6=CC=CC=C6N3)C(=O)OC
InChI: InChI=1S/C31H39N2O4/c1-6-30(19-36-29(3,4)37-30)18-22-17-23(28(34)35-5)26-31(24-13-9-10-14-25(24)32-26)15-16-33(27(22)31)20(2)21-11-7-8-12-21/h7-14,20,22,27,32H,6,15-19H2,1-5H3/t20-,22+,27+,30-,31+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CCS(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H25NO3S/c1-13-7-6-10-16(14(13)2)18-17(19)11-12-22(20,21)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,18,19)/t13-,14-,16+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC4=C3N=CN=C4Cl)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C20H30ClN3O4Si/c1-19(2,3)29(6,7)25-10-13-14-15(28-20(4,5)27-14)18(26-13)24-9-8-12-16(21)22-11-23-17(12)24/h8-9,11,13-15,18H,10H2,1-7H3/t13-,14-,15-,18-/m1/s1
SMILES: CCN1C[C@@]2([C@@H](CC([C@@]34C2[C@H](C(C31)C5([C@H](C([C@]6(CC4C5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)O)OC(=O)C)OC)OC)O)COC
InChI: InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19?,20-,21?,22?,23?,24+,25?,26?,27+,28-,29?,31+,32-,33+,34?/m1/s1
SMILES: C/C=C/1\CC(=C2[C@@]3([C@H]1N(CC3)C(=O)C)C4=CC=CC=C4N2)C(=O)OC
InChI: InChI=1S/C20H22N2O3/c1-4-13-11-14(19(24)25-3)17-20(9-10-22(12(2)23)18(13)20)15-7-5-6-8-16(15)21-17/h4-8,18,21H,9-11H2,1-3H3/b13-4+/t18-,20-/m0/s1
SMILES: CCCCC/C=C/[C@H]1CC[C@@H]([C@H](N1C(=O)OC)CCCOCOC)C
InChI: InChI=1S/C20H37NO4/c1-5-6-7-8-9-11-18-14-13-17(2)19(21(18)20(22)24-4)12-10-15-25-16-23-3/h9,11,17-19H,5-8,10,12-16H2,1-4H3/b11-9+/t17-,18-,19+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C21H15Cl2NO4/c22-12-8-9-17(18(23)10-12)21(27)28-14-5-3-4-13(11-14)24-19(25)15-6-1-2-7-16(15)20(24)26/h1-5,8-11,15-16H,6-7H2/t15-,16+
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)O
InChI: InChI=1S/C35H27Cl2N3O6/c1-17-6-5-7-22(28(17)41)27-20-14-15-21-26(23(20)16-34(36)32(44)39(2)33(45)35(27,34)37)31(43)40(30(21)42)19-12-10-18(11-13-19)29-38-24-8-3-4-9-25(24)46-29/h3-14,21,23,26-27,41H,15-16H2,1-2H3/t21-,23+,26-,27+,34+,35-/m0/s1
SMILES: C[C@H]1COC(=O)[C@@H]2CCCN2C(=O)CC=C[C@H]([C@@H](COC(=O)[C@@H](NC(=O)CC=C1)CCSC)OC)C
InChI: InChI=1S/C26H40N2O7S/c1-18-8-5-11-23(29)27-20(13-15-36-4)25(31)35-17-22(33-3)19(2)9-6-12-24(30)28-14-7-10-21(28)26(32)34-16-18/h5-6,8-9,18-22H,7,10-17H2,1-4H3,(H,27,29)/t18-,19-,20+,21+,22-/m1/s1
SMILES: C1=CC(=C(C=C1/C=C/C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15?/m1/s1
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC[C@H]3CCCC[C@H]3C2
InChI: InChI=1S/C18H25NO3S/c1-13-7-8-16(23(2,21)22)11-17(13)18(20)19-10-9-14-5-3-4-6-15(14)12-19/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3/t14-,15+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H](C(=O)[C@H](O3)C=O)O)N
InChI: InChI=1S/C10H9N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,7,10,18H,(H2,11,12,13)/t4-,7-,10-/m1/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3[C@H]4[C@@H]3CN(C4)C=O)F
InChI: InChI=1S/C18H20FN3O4/c1-10(24)20-5-12-6-22(18(25)26-12)11-2-3-13(16(19)4-11)17-14-7-21(9-23)8-15(14)17/h2-4,9,12,14-15,17H,5-8H2,1H3,(H,20,24)/t12-,14-,15+,17?/m0/s1
SMILES: CC1=C[C@@H]([C@@H](C1)O[Si](C)(C)C(C)(C)C)CC(=O)N(C)C
InChI: InChI=1S/C16H31NO2Si/c1-12-9-13(11-15(18)17(5)6)14(10-12)19-20(7,8)16(2,3)4/h9,13-14H,10-11H2,1-8H3/t13-,14-/m1/s1
SMILES: C1=CC=C2C(=C1)C3([C@H]4[C@H](C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC=C(C=C6)OC7=CC=C(C=C7)Br)Br
InChI: InChI=1S/C30H18Br3NO3/c31-17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)34-27(35)25-26(28(34)36)30(33)22-6-2-1-5-21(22)29(25,32)23-7-3-4-8-24(23)30/h1-16,25-26H/t25-,26-,29?,30?/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](C=CCN2[C@@H](CC1=O)C3=CC=CC=C3Br)OC
InChI: InChI=1S/C17H20BrNO2/c1-11-15(20)10-14(12-6-3-4-7-13(12)18)19-9-5-8-16(21-2)17(11)19/h3-8,11,14,16-17H,9-10H2,1-2H3/t11-,14+,16+,17-/m1/s1
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N[C@@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)C#N
InChI: InChI=1S/C24H26N4OS/c1-14-9-23(28-21-6-4-3-5-20(21)27-24(28)19(14)12-25)30-13-22(29)26-15(2)18-11-16-7-8-17(18)10-16/h3-6,9,15-18H,7-8,10-11,13H2,1-2H3,(H,26,29)/t15-,16-,17-,18-/m0/s1
SMILES: CC(=C(C(=O)OC)N1[C@@H]([C@H](C1=O)NC(=O)OCC2=CC=CC=C2)CC=C)C
InChI: InChI=1S/C20H24N2O5/c1-5-9-15-16(18(23)22(15)17(13(2)3)19(24)26-4)21-20(25)27-12-14-10-7-6-8-11-14/h5-8,10-11,15-16H,1,9,12H2,2-4H3,(H,21,25)/t15-,16-/m1/s1
SMILES: CC1=C2C=CC=C(C2=NC=C1)N3C(=O)[C@H]4CC=C(C[C@@H]4C3=O)Cl
InChI: InChI=1S/C18H15ClN2O2/c1-10-7-8-20-16-12(10)3-2-4-15(16)21-17(22)13-6-5-11(19)9-14(13)18(21)23/h2-5,7-8,13-14H,6,9H2,1H3/t13-,14-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OCC[S+](C)C
InChI: InChI=1S/C25H28O8S/c1-28-19-7-13(8-20(29-2)23(19)26)21-14-9-17-18(33-12-32-17)10-15(14)24(30-5-6-34(3)4)16-11-31-25(27)22(16)21/h7-10,16,21-22,24H,5-6,11-12H2,1-4H3/p+1/t16?,21-,22+,24-/m1/s1
SMILES: C[C@H]1C=C([C@@H]2[C@H]([C@]1(CO[C@H]2C=C)COC(=O)NC(C)C)C)C
InChI: InChI=1S/C18H29NO3/c1-7-15-16-12(4)8-13(5)18(9-21-15,14(16)6)10-22-17(20)19-11(2)3/h7-8,11,13-16H,1,9-10H2,2-6H3,(H,19,20)/t13-,14+,15-,16+,18+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]1C5=C(C(=CC=C5)F)O)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C26H23FN4O5/c1-26-17(22(33)30(23(26)34)14-7-4-3-5-8-14)13-19-15(20(26)16-9-6-10-18(27)21(16)32)11-12-29-24(35)28(2)25(36)31(19)29/h3-11,17,19-20,32H,12-13H2,1-2H3/t17-,19+,20+,26+/m0/s1
SMILES: CC(=O)CC[C@H]1C[C@]2([C@@H](CCC2O)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)O)C
InChI: InChI=1S/C22H30O3/c1-13(23)3-4-15-12-22(2)19(9-10-20(22)25)18-7-5-14-11-16(24)6-8-17(14)21(15)18/h6,8,11,15,18-21,24-25H,3-5,7,9-10,12H2,1-2H3/t15-,18-,19-,20?,21+,22-/m0/s1
SMILES: CC1(CC(C1)O/N=C(/C2=NSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C[N+]5=C6C=CC=NN6C=C5)C(=O)O)C
InChI: InChI=1S/C24H25N9O5S2/c1-24(2)8-13(9-24)38-29-15(18-28-23(25)40-30-18)19(34)27-16-20(35)33-17(22(36)37)12(11-39-21(16)33)10-31-6-7-32-14(31)4-3-5-26-32/h3-7,13,16,21H,8-11H2,1-2H3,(H3-,25,27,28,30,34,36,37)/p+1/b29-15-/t16-,21-/m1/s1
SMILES: C1C[C@H]2[C@@H]([C@H](C(=O)[C@@H](C1)C2=O)Br)C3=CC=CC=C3
InChI: InChI=1S/C15H15BrO2/c16-13-12(9-5-2-1-3-6-9)10-7-4-8-11(14(10)17)15(13)18/h1-3,5-6,10-13H,4,7-8H2/t10-,11-,12-,13+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCOCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H27N3O11/c1-10(22)28-9-14-15(29-11(2)23)16(30-12(3)24)17(31-13(4)25)18(32-14)27-8-7-26-6-5-20-21-19/h14-18H,5-9H2,1-4H3/t14-,15-,16+,17-,18-/m1/s1
SMILES: C1[C@H]([C@@H]2CO[C@@H](C1=O)O2)N3C(=S)N(N=N3)C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C17H14N4O3S/c22-14-8-13(15-9-23-16(14)24-15)21-17(25)20(18-19-21)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,15-16H,8-9H2/t13-,15+,16-/m1/s1
SMILES: C[C@@]12CCC3[C@@H](C1CC[C@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@@]34C
InChI: InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17?,18?,19-,22-,23-/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CC6=CC7=C(C=C6)OCO7)C(=O)OCCOCC8=CC=CC=C8)OCC=C
InChI: InChI=1S/C63H87N3O13/c1-3-5-6-7-8-9-10-11-12-19-32-64-61(69)77-49-29-31-54-52(41-49)59-50(26-17-21-34-68)48(25-16-20-33-67)40-51-53(65-79-58-27-18-22-36-72-58)42-57(63(78-54,60(51)59)76-35-4-2)66(43-47-28-30-55-56(39-47)75-45-74-55)62(70)73-38-37-71-44-46-23-14-13-15-24-46/h4,13-15,23-24,28-31,39-41,48,50,57-60,67-68H,2-3,5-12,16-22,25-27,32-38,42-45H2,1H3,(H,64,69)/t48-,50+,57-,58?,59+,60+,63+/m0/s1
SMILES: C1CCC2(CC1)C[C@H]3C[C@@H]4C=C[C@]3(O4)CN2C(=O)C(F)(F)F
InChI: InChI=1S/C16H20F3NO2/c17-16(18,19)13(21)20-10-15-7-4-12(22-15)8-11(15)9-14(20)5-2-1-3-6-14/h4,7,11-12H,1-3,5-6,8-10H2/t11-,12+,15+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=C(C=C4)C5=CC=CC(=C5)CNC(=O)OCC=C)C6=CC=C(C=C6)CO
InChI: InChI=1S/C43H55N3O6/c1-5-23-50-42(49)44-26-30-9-8-11-35(24-30)31-17-19-34(20-18-31)41-51-36(25-39(52-41)33-15-13-29(28-47)14-16-33)27-46-37-12-7-6-10-32(37)21-22-38(46)40(48)45-43(2,3)4/h5,8-9,11,13-20,24,32,36-39,41,47H,1,6-7,10,12,21-23,25-28H2,2-4H3,(H,44,49)(H,45,48)/t32-,36-,37-,38-,39+,41+/m1/s1
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C22H25NO6S/c1-3-29-22(27)18-17(13-8-10-14(28-2)11-9-13)12-30-20(18)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-12,15-16H,3-7H2,1-2H3,(H,23,24)(H,25,26)/p-1/t15-,16-/m0/s1
SMILES: CC1=C(C(=CC=C1)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)O
InChI: InChI=1S/C21H26O11/c1-10-7-6-8-15(17(10)26)31-21-20(30-14(5)25)19(29-13(4)24)18(28-12(3)23)16(32-21)9-27-11(2)22/h6-8,16,18-21,26H,9H2,1-5H3/t16-,18-,19+,20+,21+/m1/s1
SMILES: C[C@@H]1CC[C@]2(C([C@@]1(C)CCC(C)CCO)CCC=C2COC(=O)C)C
InChI: InChI=1S/C22H38O3/c1-16(11-14-23)9-12-21(4)17(2)10-13-22(5)19(15-25-18(3)24)7-6-8-20(21)22/h7,16-17,20,23H,6,8-15H2,1-5H3/t16?,17-,20?,21+,22-/m1/s1
SMILES: COC1=C(C=CC(=C1)C=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3/t10-,11-,12+,13-,14-/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)OC)OC
InChI: InChI=1S/C24H26N2O5/c1-14-8-10-16-18(12-14)24(29)26(23(16)28)20-7-5-4-6-17(20)22(27)25-19-13-15(30-2)9-11-21(19)31-3/h4-7,9,11,13-14,16,18H,8,10,12H2,1-3H3,(H,25,27)/t14-,16-,18+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C(=CC=C4)C(=O)O)N[C@H]2C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C29H23ClN2O4S/c30-26-24(37-23-14-4-3-13-22(23)32(35)36)15-21-25(26)19-11-6-12-20(29(33)34)28(19)31-27(21)18-10-5-8-16-7-1-2-9-17(16)18/h1-14,21,24-27,31H,15H2,(H,33,34)/t21-,24+,25-,26+,27+/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CC(=C)C4=CC(=O)CC[C@@]34C)C)O
InChI: InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12,16-18,25H,1,5-11H2,2-4H3/t16-,17-,18+,20+,21+,22+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=CC=C5O)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C28H25N3O6/c1-28-19(24(34)30(26(28)36)14-7-3-2-4-8-14)13-18-15(22(28)16-9-5-6-10-20(16)32)11-12-17-21(18)25(35)31(23(17)33)27(29)37/h2-11,17-19,21-22,32H,12-13H2,1H3,(H2,29,37)/t17-,18+,19-,21-,22+,28+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)O
InChI: InChI=1S/C30H22BrNO8/c1-40-23-10-13(5-8-21(23)33)24-16-6-7-17-25(18(16)11-19-26(24)22(34)12-20(31)27(19)35)29(37)32(28(17)36)15-4-2-3-14(9-15)30(38)39/h2-6,8-10,12,17-18,24-25,33H,7,11H2,1H3,(H,38,39)/t17-,18+,24-,25-/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@]4(/C=C/C5=CC=CC=C5)O)C)C
InChI: InChI=1S/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3/b17-11+/t22-,23+,24+,25-,26+,27+,28+,29-/m0/s1
SMILES: CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4=CC(=O)CC[C@]34C)O)C)O)O
InChI: InChI=1S/C21H30O5/c1-11(22)21(26)10-16(25)18-17-14(5-7-20(18,21)3)19(2)6-4-13(23)8-12(19)9-15(17)24/h8,14-18,24-26H,4-7,9-10H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m0/s1
SMILES: COC1=CC=CC=C1[C@H]2CN([C@H]([C@H]2CC(=O)OC)C(=O)OC)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C24H27NO7/c1-29-20-12-8-7-11-17(20)19-14-25(24(28)32-15-16-9-5-4-6-10-16)22(23(27)31-3)18(19)13-21(26)30-2/h4-12,18-19,22H,13-15H2,1-3H3/t18-,19+,22+/m0/s1
SMILES: C[C@@H](C(=O)N)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]2C[C@H](CN2C(=O)CN3C[C@H]([C@@H]([C@H](N3)CO)O)O)O)O
InChI: InChI=1S/C20H34N6O9/c1-9(18(21)33)22-19(34)13-2-10(28)5-26(13)20(35)14-3-11(29)4-25(14)16(31)7-24-6-15(30)17(32)12(8-27)23-24/h9-15,17,23,27-30,32H,2-8H2,1H3,(H2,21,33)(H,22,34)/t9-,10+,11+,12+,13-,14-,15+,17+/m0/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)C(C)C
InChI: InChI=1S/C29H48O3/c1-7-19(17(2)3)9-8-18(4)21-10-11-22-20-14-25(30)24-15-26(31)27(32)16-29(24,6)23(20)12-13-28(21,22)5/h8-9,17-24,26-27,31-32H,7,10-16H2,1-6H3/b9-8+/t18-,19-,20+,21-,22+,23+,24?,26+,27-,28-,29-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3
InChI: InChI=1S/C22H32N2O4S/c1-14-6-4-7-18(15(14)2)23-20(25)16(3)28-22(27)17-9-11-24(12-10-17)21(26)19-8-5-13-29-19/h5,8,13-18H,4,6-7,9-12H2,1-3H3,(H,23,25)/t14-,15-,16-,18+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)C2=CNC3=CC=CC=C32
InChI: InChI=1S/C18H24N2O/c1-12-7-3-5-9-16(12)20-13(2)18(21)15-11-19-17-10-6-4-8-14(15)17/h4,6,8,10-13,16,19-20H,3,5,7,9H2,1-2H3/p+1/t12-,13+,16-/m1/s1
SMILES: C[C@@H]1[C@@H]2CC[C@]3([C@H]([C@@H]2OC1=O)C(=CC(=O)[C@H]3O)C)C
InChI: InChI=1S/C15H20O4/c1-7-6-10(16)13(17)15(3)5-4-9-8(2)14(18)19-12(9)11(7)15/h6,8-9,11-13,17H,4-5H2,1-3H3/t8-,9+,11+,12-,13-,15+/m1/s1
SMILES: CC(=O)O[C@H]1C#CC=CC#CC[C@H]2[C@H]1N(C2=O)C(=O)OC(C)(C)C
InChI: InChI=1S/C18H19NO5/c1-12(20)23-14-11-9-7-5-6-8-10-13-15(14)19(16(13)21)17(22)24-18(2,3)4/h5,7,13-15H,10H2,1-4H3/t13-,14-,15+/m0/s1
SMILES: CC1=C([C@@H]([C@H](O1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)C
InChI: InChI=1S/C20H17ClO3/c1-12(22)17-13(2)24-20(19(23)15-6-4-3-5-7-15)18(17)14-8-10-16(21)11-9-14/h3-11,18,20H,1-2H3/t18-,20-/m0/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OCC#CC3=CC=C(C=C3)F)C(=O)OC)C)O
InChI: InChI=1S/C25H28FNO5/c1-17(28)25(2)16-27(24(29)31-4)15-21(25)19-9-12-22(30-3)23(14-19)32-13-5-6-18-7-10-20(26)11-8-18/h7-12,14,17,21,28H,13,15-16H2,1-4H3/t17-,21+,25+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H]3COC4=C(C3=NC5=CC=CC=C5S2)C=C(C=C4)F
InChI: InChI=1S/C23H18FNOS/c1-14-6-8-15(9-7-14)23-18-13-26-20-11-10-16(24)12-17(20)22(18)25-19-4-2-3-5-21(19)27-23/h2-12,18,23H,13H2,1H3/t18-,23-/m1/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)N[C@@H](C#N)[C@H]2[C@@H](OC(O2)(C)C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C31H38N2O4SSi/c1-23-17-19-24(20-18-23)38(34)33-27(21-32)29-28(36-31(5,6)37-29)22-35-39(30(2,3)4,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-20,27-29,33H,22H2,1-6H3/t27-,28-,29-,38-/m0/s1
SMILES: C1CCC(C1)NC(=O)[C@H]2C[NH+]3CC[C@@H]2C[C@@H]3CN4C=C(N=N4)C5=CC=CC=N5
InChI: InChI=1S/C21H28N6O/c28-21(23-16-5-1-2-6-16)18-13-26-10-8-15(18)11-17(26)12-27-14-20(24-25-27)19-7-3-4-9-22-19/h3-4,7,9,14-18H,1-2,5-6,8,10-13H2,(H,23,28)/p+1/t15-,17-,18+/m1/s1
SMILES: COC(=O)CC1=C[C@H]2[C@@H](C1)C[C@H]([C@@H]2COC3CCCCO3)OC4CCCCO4
InChI: InChI=1S/C22H34O6/c1-24-20(23)12-15-10-16-13-19(28-22-7-3-5-9-26-22)18(17(16)11-15)14-27-21-6-2-4-8-25-21/h11,16-19,21-22H,2-10,12-14H2,1H3/t16-,17-,18+,19+,21?,22?/m0/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)[C@H]([C@@H](O2)N3C=CC(=O)N(C3=O)C(=O)C4=CC=CC=C4)OP(=O)(OC(C)(C)CC#N)OC(C)(C)CC#N)C(C)(C)C
InChI: InChI=1S/C34H47N4O10PSi/c1-31(2,3)50(32(4,5)6)43-22-24-26(46-50)27(45-49(42,47-33(7,8)17-19-35)48-34(9,10)18-20-36)29(44-24)37-21-16-25(39)38(30(37)41)28(40)23-14-12-11-13-15-23/h11-16,21,24,26-27,29H,17-18,22H2,1-10H3/t24-,26-,27-,29-/m1/s1
SMILES: CCCCCCCCCCCCC1=C2[C@H]3[C@@H]4[C@H]5CCCCCC[C@H]6C5=C7[C@H]([C@@H]4[C@@H](C2=C(C8=COC=C81)CCCCCCCCCCCC)O3)CCCCCC[C@H]7C9=C6C(=O)C=CC9=O
InChI: InChI=1S/C60H86O4/c1-3-5-7-9-11-13-15-17-19-25-31-41-47-39-63-40-48(47)42(32-26-20-18-16-14-12-10-8-6-4-2)56-55(41)59-57-45-35-29-23-21-27-33-43-51(45)52-44(54-50(62)38-37-49(61)53(43)54)34-28-22-24-30-36-46(52)58(57)60(56)64-59/h37-40,43-46,57-60H,3-36H2,1-2H3/t43-,44+,45-,46+,57+,58-,59-,60+
SMILES: COC1=CC(=C(C=C1NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)OC)Cl
InChI: InChI=1S/C16H20ClNO3/c1-20-14-8-13(15(21-2)7-12(14)17)18-16(19)11-6-9-3-4-10(11)5-9/h7-11H,3-6H2,1-2H3,(H,18,19)/t9-,10+,11-/m0/s1
SMILES: CCOC(=O)[C@@H]1/C(=C/CO)/CO[C@]12[C@@H]3[C@H]([C@H](O2)[C@H]4COC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C20H30O9/c1-6-23-17(22)13-11(7-8-21)9-25-20(13)16-15(27-19(4,5)29-16)14(28-20)12-10-24-18(2,3)26-12/h7,12-16,21H,6,8-10H2,1-5H3/b11-7+/t12-,13+,14-,15+,16+,20-/m1/s1
SMILES: C1C2=CC=CC=C2N3[C@@H](O1)[C@@]45C=C[C@@H](O4)[C@@H]([C@H]5C3=O)C(=O)[O-]
InChI: InChI=1S/C16H13NO5/c18-13-12-11(14(19)20)10-5-6-16(12,22-10)15-17(13)9-4-2-1-3-8(9)7-21-15/h1-6,10-12,15H,7H2,(H,19,20)/p-1/t10-,11+,12+,15+,16+/m1/s1
SMILES: C1CCN(C1)C(=O)[C@H]2CN3CC[C@H]2C[C@@H]3CN4C=C(N=N4)CCO
InChI: InChI=1S/C17H27N5O2/c23-8-4-14-10-22(19-18-14)11-15-9-13-3-7-21(15)12-16(13)17(24)20-5-1-2-6-20/h10,13,15-16,23H,1-9,11-12H2/t13-,15+,16-/m0/s1
SMILES: C[C@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCN(CC4)C5=CC(=CC=C5)OC)O)C
InChI: InChI=1S/C26H36N2O4/c1-17-6-4-7-18-14-22-23(24(29)26(17,18)2)21(25(30)32-22)16-27-10-12-28(13-11-27)19-8-5-9-20(15-19)31-3/h5,7-9,15,17,21-24,29H,4,6,10-14,16H2,1-3H3/p+1/t17-,21-,22+,23+,24+,26+/m0/s1
SMILES: C1[C@@H]([C@H](CS1(=O)=O)Cl)NC(=O)CNC(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H21ClN2O3S/c20-16-12-26(24,25)13-17(16)22-18(23)11-21-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17,19,21H,11-13H2,(H,22,23)/t16-,17-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3CCCC[C@]3(CCN2CC(=O)NC4=CC=C(C=C4)Cl)O
InChI: InChI=1S/C26H33ClN2O5/c1-32-21-14-17(15-22(33-2)25(21)34-3)24-20-6-4-5-11-26(20,31)12-13-29(24)16-23(30)28-19-9-7-18(27)8-10-19/h7-10,14-15,20,24,31H,4-6,11-13,16H2,1-3H3,(H,28,30)/t20-,24-,26-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)C6=NC7=CC=CC=C7O6)C8=CC(=CC=C8)O
InChI: InChI=1S/C36H26N2O6/c1-18-15-28(40)26-17-25-23(30(32(26)33(18)41)20-5-4-6-22(39)16-20)13-14-24-31(25)36(43)38(35(24)42)21-11-9-19(10-12-21)34-37-27-7-2-3-8-29(27)44-34/h2-13,15-16,24-25,30-31,39H,14,17H2,1H3/t24-,25+,30-,31-/m0/s1
SMILES: C=C(/C=C/SC1=CC=CC=C1)O[C@@H]2CCCC[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C22H24OS/c1-18(16-17-24-20-12-6-3-7-13-20)23-22-15-9-8-14-21(22)19-10-4-2-5-11-19/h2-7,10-13,16-17,21-22H,1,8-9,14-15H2/b17-16+/t21-,22+/m0/s1
SMILES: C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC=C2F)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C29H25F8NO3/c1-14(2)20-11-21(25(40-4)12-24(20)31)19-6-5-7-23(30)22(19)13-38-15(3)26(41-27(38)39)16-8-17(28(32,33)34)10-18(9-16)29(35,36)37/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
SMILES: CC(=O)N1[C@H]2[C@H](C3(C4=CC=CC=C4C2(C5=CC=CC=C53)C)C)SC1=O
InChI: InChI=1S/C21H19NO2S/c1-12(23)22-17-18(25-19(22)24)21(3)15-10-6-4-8-13(15)20(17,2)14-9-5-7-11-16(14)21/h4-11,17-18H,1-3H3/t17-,18+,20?,21?/m0/s1
SMILES: CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O
InChI: InChI=1S/C29H48O3/c1-19(2)8-7-15-29(6,31)26-12-11-24-23-10-9-21-18-22(32-20(3)30)13-16-27(21,4)25(23)14-17-28(24,26)5/h9,19,22-26,31H,7-8,10-18H2,1-6H3/t22-,23-,24-,25-,26-,27-,28-,29+/m0/s1
SMILES: CCN([C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H](/C(=C/COC(=S)OC3=CC=CC=C3)/[C@H](O[C@H]2OCC4=CC=CC=C4[N+](=O)[O-])C)O[Si](CC)(CC)CC)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI: InChI=1S/C51H62N2O12SSi/c1-7-52(50(54)61-32-42-40-25-17-15-23-38(40)39-24-16-18-26-41(39)42)44-33-59-46(30-45(44)57-6)64-48-47(65-67(8-2,9-3)10-4)37(28-29-58-51(66)63-36-21-12-11-13-22-36)34(5)62-49(48)60-31-35-20-14-19-27-43(35)53(55)56/h11-28,34,42,44-49H,7-10,29-33H2,1-6H3/b37-28+/t34-,44+,45+,46+,47+,48-,49-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H](CC(=O)N2[C@@H]3C[C@H]4CC[C@@]3(C4(C)C)CS2(=O)=O)[Si](C)(C)C5=CC=CC=C5
InChI: InChI=1S/C28H37NO3SSi/c1-20-11-13-21(14-12-20)24(34(4,5)23-9-7-6-8-10-23)18-26(30)29-25-17-22-15-16-28(25,27(22,2)3)19-33(29,31)32/h6-14,22,24-25H,15-19H2,1-5H3/t22-,24-,25-,28-/m1/s1
SMILES: CC(C)(C)N1C[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C1=O)C(=O)O
InChI: InChI=1S/C13H17NO4/c1-12(2,3)14-6-13-5-4-7(18-13)8(11(16)17)9(13)10(14)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)/t7-,8-,9+,13-/m0/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)O)OCC=C)CCCCO)CCCCO)C(=O)CCC5CCCC5
InChI: InChI=1S/C37H54N2O7/c1-4-21-45-37-33(39(2)34(43)18-15-25-11-5-6-12-25)24-31(38-44-3)29-22-26(13-7-9-19-40)28(14-8-10-20-41)35(36(29)37)30-23-27(42)16-17-32(30)46-37/h4,16-17,22-23,25-26,28,33,35-36,40-42H,1,5-15,18-21,24H2,2-3H3/t26-,28+,33-,35+,36+,37+/m0/s1
SMILES: CCCCC(=O)N(CCC1=CC(=CC=C1)F)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C30H38FIN2O7/c1-3-4-8-27(37)34(11-9-19-6-5-7-22(31)13-19)24-16-21(30(39)33-10-12-35)17-25(28(24)38)41-29-23(32)14-20(18-36)15-26(29)40-2/h5-7,13-15,17,24-25,28,35-36,38H,3-4,8-12,16,18H2,1-2H3,(H,33,39)/t24-,25+,28+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1OC2=CC3=CC=CC=C3C=C2)CO)O)O
InChI: InChI=1S/C18H21NO6/c1-10(21)19-15-17(23)16(22)14(9-20)25-18(15)24-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-18,20,22-23H,9H2,1H3,(H,19,21)/t14-,15-,16-,17+,18-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](C(=O)N[C@@H](O1)OC(C)C)C2=CC=CC=C2
InChI: InChI=1S/C16H21NO5/c1-4-20-15(19)13-12(11-8-6-5-7-9-11)14(18)17-16(22-13)21-10(2)3/h5-10,12-13,16H,4H2,1-3H3,(H,17,18)/t12-,13+,16+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCC[NH+]2CC(=O)NC3=C(C=CS3)C(=O)N
InChI: InChI=1S/C16H23N3O2S/c17-15(21)12-7-9-22-16(12)18-14(20)10-19-8-3-5-11-4-1-2-6-13(11)19/h7,9,11,13H,1-6,8,10H2,(H2,17,21)(H,18,20)/p+1/t11-,13-/m0/s1