EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC(=CC5=CC=CC=C5)[C@@H](C4)O)C
InChI: InChI=1S/C27H38O2/c1-25-17-19(15-18-7-5-4-6-8-18)24(28)16-20(25)9-10-21-22(25)11-13-26(2)23(21)12-14-27(26,3)29/h4-8,15,20-24,28-29H,9-14,16-17H2,1-3H3/t20-,21-,22-,23-,24+,25-,26-,27-/m0/s1
SMILES: C1C2[C@@H]([C@H](C(C1(Cl)Cl)(C2(CCl)C(Cl)Cl)CCl)Cl)Cl
InChI: InChI=1S/C10H10Cl8/c11-2-8(7(15)16)4-1-10(17,18)9(8,3-12)6(14)5(4)13/h4-7H,1-3H2/t4?,5-,6+,8?,9?/m0/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H]([NH+]4[C@H]3C5=CC=CC=C5C=C4)C(=O)C6=CC=CO6
InChI: InChI=1S/C25H18N2O4/c28-23(18-11-6-14-31-18)22-20-19(21-17-10-5-4-7-15(17)12-13-26(21)22)24(29)27(25(20)30)16-8-2-1-3-9-16/h1-14,19-22H/p+1/t19-,20+,21-,22-/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)N(N=N3)C4=CC=CC=C4)Br
InChI: InChI=1S/C17H13BrN4O2/c1-10-7-8-13(12(18)9-10)21-16(23)14-15(17(21)24)22(20-19-14)11-5-3-2-4-6-11/h2-9,14-15H,1H3/t14-,15-/m1/s1
SMILES: COC1=CC=CC(=C1OC)C2=NC=NN2C3=C([C@H]4CCCCC[C@@H]4S3)C#N
InChI: InChI=1S/C20H22N4O2S/c1-25-16-9-6-8-14(18(16)26-2)19-22-12-23-24(19)20-15(11-21)13-7-4-3-5-10-17(13)27-20/h6,8-9,12-13,17H,3-5,7,10H2,1-2H3/t13-,17+/m1/s1
SMILES: C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O
InChI: InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=C(C=C3)F
InChI: InChI=1S/C18H17FN2O5/c19-11-5-7-12(8-6-11)20-15(22)10-26-16(23)9-21-17(24)13-3-1-2-4-14(13)18(21)25/h1-2,5-8,13-14H,3-4,9-10H2,(H,20,22)/t13-,14+
SMILES: C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1OC(=O)NC(C)(CC3=CNC4=CC=CC=C43)C(=O)NCCC5=CC=CC=C5
InChI: InChI=1S/C31H39N3O3/c1-20-25-16-23(30(25,2)3)17-27(20)37-29(36)34-31(4,18-22-19-33-26-13-9-8-12-24(22)26)28(35)32-15-14-21-10-6-5-7-11-21/h5-13,19-20,23,25,27,33H,14-18H2,1-4H3,(H,32,35)(H,34,36)/t20-,23+,25-,27-,31?/m0/s1
SMILES: C1CCC2=NN([C@]([C@@H]2C1)(C(F)(F)F)O)C(=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C15H14ClF3N2O2/c16-11-7-3-1-5-9(11)13(22)21-14(23,15(17,18)19)10-6-2-4-8-12(10)20-21/h1,3,5,7,10,23H,2,4,6,8H2/t10-,14+/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]2[C@H](NC3=CC=CC=C3NC2=C1)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H19FN2O/c1-12-10-17-19(18(24)11-12)20(13-6-8-14(21)9-7-13)23-16-5-3-2-4-15(16)22-17/h2-10,12,19-20,22-23H,11H2,1H3/t12-,19-,20-/m1/s1
SMILES: [B-](F)(F)(F)F.CN(C)[S+](=O)([C@H]1C[C@@H]1C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C17H20NOS.BF4/c1-18(2)20(19,15-11-7-4-8-12-15)17-13-16(17)14-9-5-3-6-10-14;2-1(3,4)5/h3-12,16-17H,13H2,1-2H3;/q+1;-1/t16-,17+,20?;/m1./s1
SMILES: CC1=CC(=C(C=C1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C22H29NO9/c1-11-7-8-12(2)17(9-11)31-22-19(23-13(3)24)21(30-16(6)27)20(29-15(5)26)18(32-22)10-28-14(4)25/h7-9,18-22H,10H2,1-6H3,(H,23,24)/t18-,19-,20-,21-,22-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)NC2=CC=C(C=C2)N3CCCCC3
InChI: InChI=1S/C21H33N3O/c1-16-8-4-5-9-20(16)22-17(2)21(25)23-18-10-12-19(13-11-18)24-14-6-3-7-15-24/h10-13,16-17,20,22H,3-9,14-15H2,1-2H3,(H,23,25)/t16-,17+,20-/m1/s1
SMILES: C[C@]1([C@H]2[C@@]1(C(=O)OC3=CC=CC=C23)C(=O)O)C(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H13BrO5/c1-18(15(21)10-6-8-11(20)9-7-10)14-12-4-2-3-5-13(12)25-17(24)19(14,18)16(22)23/h2-9,14H,1H3,(H,22,23)/t14-,18-,19-/m0/s1
SMILES: CCCN1C(=O)[C@@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@H]2CCCCC4)C(=O)N(C1=O)C
InChI: InChI=1S/C21H26N4O5/c1-3-10-24-19(27)21(18(26)22(2)20(24)28)13-14-12-15(25(29)30)8-9-16(14)23-11-6-4-5-7-17(21)23/h8-9,12,17H,3-7,10-11,13H2,1-2H3/t17-,21+/m0/s1
SMILES: CC(C)(C)O[C@H](CCCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@H]3[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H54O5Si2/c1-32(2,3)38-28(31-29(25-30(35)37-31)39-40(10,11)33(4,5)6)23-18-24-36-41(34(7,8)9,26-19-14-12-15-20-26)27-21-16-13-17-22-27/h12-17,19-22,28-29,31H,18,23-25H2,1-11H3/t28-,29+,31+/m1/s1
SMILES: CCCC[C@@]1(CS(=O)(=O)C2=C(C=C(C=C2)N(C(=O)OC(C)(C)C)O)[C@H]([C@H]1O)C3=CC=CC=C3)CC
InChI: InChI=1S/C27H37NO6S/c1-6-8-16-27(7-2)18-35(32,33)22-15-14-20(28(31)25(30)34-26(3,4)5)17-21(22)23(24(27)29)19-12-10-9-11-13-19/h9-15,17,23-24,29,31H,6-8,16,18H2,1-5H3/t23-,24-,27-/m1/s1
SMILES: CC(C)C[C@H](C(=O)N1[C@H]2C[C@@H](CC[C@H]2C[C@H]1C(=O)NCCCCN=C(N)N)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)O
InChI: InChI=1S/C29H46N6O6/c1-17(2)13-22(34-27(40)25(38)14-18-5-8-20(36)9-6-18)28(41)35-23-16-21(37)10-7-19(23)15-24(35)26(39)32-11-3-4-12-33-29(30)31/h5-6,8-9,17,19,21-25,36-38H,3-4,7,10-16H2,1-2H3,(H,32,39)(H,34,40)(H4,30,31,33)/t19-,21+,22+,23-,24-,25-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H20N2O4/c1-12-7-5-6-10-14(12)20-17(23)16(22)19(18(20)24)11-15(21)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3/t12-,14+/m0/s1
SMILES: COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)N3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]4C3=O)[C@@H]([C@@H]5Br)Br
InChI: InChI=1S/C23H19Br2NO5/c1-30-14-4-2-3-11(9-14)23(29)31-13-7-5-12(6-8-13)26-21(27)17-15-10-16(18(17)22(26)28)20(25)19(15)24/h2-9,15-20H,10H2,1H3/t15-,16+,17-,18-,19-,20+/m0/s1
SMILES: COC1=CC2=C(C=C1)O[C@H]([C@@H](C2=O)OC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)C4=CC(=C(C=C4)OC)Br
InChI: InChI=1S/C28H26BrNO8/c1-34-18-10-12-22-19(15-18)24(31)26(25(37-22)17-9-11-23(35-2)20(29)14-17)38-28(33)30-21(27(32)36-3)13-16-7-5-4-6-8-16/h4-12,14-15,21,25-26H,13H2,1-3H3,(H,30,33)/t21-,25-,26+/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCN6CC6)OCC=C)CCCCO)CCCCO)C(=O)OCC(C)(C)C
InChI: InChI=1S/C47H66N4O10/c1-6-20-50(45(54)58-32-46(3,4)5)42-30-40(48-60-31-33-14-16-35(17-15-33)51(55)56)38-28-34(12-8-10-24-52)37(13-9-11-25-53)43-39-29-36(57-27-23-49-21-22-49)18-19-41(39)61-47(42,44(38)43)59-26-7-2/h7,14-19,28-29,34,37,42-44,52-53H,2,6,8-13,20-27,30-32H2,1,3-5H3/t34-,37+,42-,43+,44+,47+/m0/s1
SMILES: CO[C@H]1CCCN[C@@H]1CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)SC)F
InChI: InChI=1S/C18H22FN3O3S/c1-25-16-4-3-5-20-15(16)6-11(23)9-22-10-21-14-8-13(19)17(26-2)7-12(14)18(22)24/h7-8,10,15-16,20H,3-6,9H2,1-2H3/t15-,16+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@H]2OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)OP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O)O
InChI: InChI=1S/C48H50O12P2/c49-43-44(50)46(54-32-38-21-9-2-10-22-38)48(60-62(52,57-35-41-27-15-5-16-28-41)58-36-42-29-17-6-18-30-42)47(45(43)53-31-37-19-7-1-8-20-37)59-61(51,55-33-39-23-11-3-12-24-39)56-34-40-25-13-4-14-26-40/h1-30,43-50H,31-36H2/t43-,44+,45-,46-,47+,48+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2[C@]3([C@@H](CC[C@@H]3N=N2)C4=CCCC4)N5CCOCC5)C
InChI: InChI=1S/C22H30N4O/c1-16-7-8-19(15-17(16)2)26-22(25-11-13-27-14-12-25)20(18-5-3-4-6-18)9-10-21(22)23-24-26/h5,7-8,15,20-21H,3-4,6,9-14H2,1-2H3/t20-,21-,22-/m0/s1
SMILES: CC(C)(C)[C@@]1(C[C@H]2[C@@]3([C@]14[C@H](C(=O)O[C@H]4OC3=O)O)CC(=O)O2)O
InChI: InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
SMILES: CC(=O)O[C@@H]1CCC(C2[C@]1(C3[C@@H](OCC3=CC2)OC(=O)C)C)(C)C
InChI: InChI=1S/C19H28O5/c1-11(20)23-15-8-9-18(3,4)14-7-6-13-10-22-17(24-12(2)21)16(13)19(14,15)5/h6,14-17H,7-10H2,1-5H3/t14?,15-,16?,17+,19-/m1/s1
SMILES: CC1(N([C@H]([C@@H](O1)CC=O)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C29H41NO5Si/c1-27(2,3)35-26(32)30-24(25(19-20-31)34-29(30,7)8)21-33-36(28(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,20,24-25H,19,21H2,1-8H3/t24-,25-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]2([C@@H]3C[C@H]1OC[C@@]3([C@H]2O[Si](C)(C)C)C(=O)OC)CC[Se]C4=CC=CC=C4
InChI: InChI=1S/C28H46O5SeSi2/c1-26(2,3)36(8,9)32-22-18-27(15-16-34-20-13-11-10-12-14-20)23-17-21(22)31-19-28(23,25(29)30-4)24(27)33-35(5,6)7/h10-14,21-24H,15-19H2,1-9H3/t21-,22-,23+,24+,27-,28-/m1/s1
SMILES: CC(=O)C1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)OC
InChI: InChI=1S/C17H23NO8/c1-8(20)10-4-5-11(12(6-10)24-3)25-17-14(18-9(2)21)16(23)15(22)13(7-19)26-17/h4-6,13-17,19,22-23H,7H2,1-3H3,(H,18,21)/t13-,14-,15-,16-,17-/m1/s1
SMILES: C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CCC34[C@H]2CC[C@H](C3(C4)CCC(=O)OC)C(C)C)C)C
InChI: InChI=1S/C31H52O3/c1-21(2)23-11-12-25-29(7)16-13-24(22(3)10-9-15-27(4,5)33)28(29,6)18-19-31(25)20-30(23,31)17-14-26(32)34-8/h9,15,21-25,33H,10-14,16-20H2,1-8H3/b15-9+/t22-,23+,24-,25+,28-,29+,30?,31?/m1/s1
SMILES: CCCC[C@@]12[C@@]3([C@@]4(C(=O)N1CCCN5C(=O)[C@@]4([C@@]3([C@@]5(O2)O)C)C)C)C
InChI: InChI=1S/C19H28N2O4/c1-6-7-9-18-16(4)14(2)12(22)20(18)10-8-11-21-13(23)15(14,3)17(16,5)19(21,24)25-18/h24H,6-11H2,1-5H3/t14-,15+,16-,17+,18-,19+/m1/s1
SMILES: CC[C@H](C)N1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CCC(=O)N
InChI: InChI=1S/C20H23FN4O4/c1-3-9(2)25-17(27)15-13(6-7-14(22)26)24-20(16(15)18(25)28)11-8-10(21)4-5-12(11)23-19(20)29/h4-5,8-9,13,15-16,24H,3,6-7H2,1-2H3,(H2,22,26)(H,23,29)/p+1/t9-,13+,15+,16-,20+/m0/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@H]3CCCC[C@]3(CC[NH+]2CC#N)O
InChI: InChI=1S/C19H26N2O2/c1-2-23-17-9-4-3-7-15(17)18-16-8-5-6-10-19(16,22)11-13-21(18)14-12-20/h3-4,7,9,16,18,22H,2,5-6,8,10-11,13-14H2,1H3/p+1/t16-,18+,19-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC=CC=C4
InChI: InChI=1S/C21H22N4O2/c1-12-16-17(18(24-12)14-7-9-15(10-8-14)19(22)23)21(27)25(20(16)26)11-13-5-3-2-4-6-13/h2-10,12,16-18,24H,11H2,1H3,(H3,22,23)/t12-,16-,17-,18-/m1/s1
SMILES: C1[C@@H]([C@@H](C(=O)N1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)[N+](=O)[O-])[O-])C3=CC=CC=C3
InChI: InChI=1S/C18H15ClN4O5/c19-12-6-11(16(24)14(7-12)23(27)28)8-21-22-18(26)15-13(9-20-17(15)25)10-4-2-1-3-5-10/h1-8,13,15,24H,9H2,(H,20,25)(H,22,26)/p-1/t13-,15+/m1/s1
SMILES: C[C@@H]([C@@H]1CC[C@]2([C@H]1CC[C@@]3(C2CCC4[C@]3(CCC5[C@@]4(CCCC5(C)C)C)C)C)C)OC(=O)C
InChI: InChI=1S/C31H52O2/c1-20(33-21(2)32)22-12-17-28(5)23(22)13-18-30(7)25(28)10-11-26-29(6)16-9-15-27(3,4)24(29)14-19-31(26,30)8/h20,22-26H,9-19H2,1-8H3/t20-,22-,23-,24?,25?,26?,28-,29-,30+,31+/m0/s1
SMILES: CCOCC1=CC(=O)C2=C(O1)C3=C(C=C2)OC([C@@H]([C@@H]3OC(=O)[C@]45CC[C@](C4(C)C)(C(=O)O5)C)OC(=O)[C@]67CC[C@](C6(C)C)(C(=O)O7)C)(C)C
InChI: InChI=1S/C37H44O12/c1-10-43-18-19-17-21(38)20-11-12-22-23(24(20)44-19)25(45-29(41)36-15-13-34(8,27(39)48-36)32(36,4)5)26(31(2,3)47-22)46-30(42)37-16-14-35(9,28(40)49-37)33(37,6)7/h11-12,17,25-26H,10,13-16,18H2,1-9H3/t25-,26-,34+,35+,36-,37-/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=CC(=O)N(C)C)OC4(O2)CC5=CC=CC=C5C4
InChI: InChI=1S/C37H44N2O9/c1-36(2,3)47-32(42)17-15-27(22-40)38-34(43)26-18-29(45-35(44)28-13-9-8-10-23(28)14-16-31(41)39(4)5)33-30(19-26)46-37(48-33)20-24-11-6-7-12-25(24)21-37/h6-14,16,19,27,29-30,33,40H,15,17-18,20-22H2,1-5H3,(H,38,43)/t27-,29+,30+,33-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C20H25N3O5/c1-12-5-3-4-6-14(12)21-17(24)10-23-18(25)20(2,22-19(23)26)13-7-8-15-16(9-13)28-11-27-15/h7-9,12,14H,3-6,10-11H2,1-2H3,(H,21,24)(H,22,26)/t12-,14-,20+/m0/s1
SMILES: C1C[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)[C@]6(N2C1)C7=C(C=CC(=C7)Br)NC6=O
InChI: InChI=1S/C26H20BrN3O3/c27-15-10-11-18-17(13-15)26(25(33)28-18)22-21(20-9-4-12-29(20)26)23(31)30(24(22)32)19-8-3-6-14-5-1-2-7-16(14)19/h1-3,5-8,10-11,13,20-22H,4,9,12H2,(H,28,33)/t20-,21+,22+,26-/m1/s1
SMILES: CCOC(=O)C1=C(C2=C(S1)NC3=CCCC(=O)[C@@H]3[C@H]2C4=CC(=C(C=C4)F)F)C
InChI: InChI=1S/C21H19F2NO3S/c1-3-27-21(26)19-10(2)16-17(11-7-8-12(22)13(23)9-11)18-14(24-20(16)28-19)5-4-6-15(18)25/h5,7-9,17-18,24H,3-4,6H2,1-2H3/t17-,18+/m0/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NCCN2CCCCC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C24H35F3N4O2/c1-2-18-17-31(23(33)29-21-8-6-7-20(16-21)24(25,26)27)13-9-19(18)15-22(32)28-10-14-30-11-4-3-5-12-30/h6-8,16,18-19H,2-5,9-15,17H2,1H3,(H,28,32)(H,29,33)/t18-,19-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NP(=O)(OCC=C)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O
InChI: InChI=1S/C23H32N5O11P/c1-4-5-36-40(35,26-14-6-18(38-16(14)10-29)27-8-12(2)20(31)24-22(27)33)37-11-17-15(30)7-19(39-17)28-9-13(3)21(32)25-23(28)34/h4,8-9,14-19,29-30H,1,5-7,10-11H2,2-3H3,(H,26,35)(H,24,31,33)(H,25,32,34)/t14-,15-,16+,17+,18+,19+,40?/m0/s1
SMILES: C1C[C@@H]2[C@@H](CCN2CCC3=C(N=C(N3)Cl)Cl)C[C@H]1CC4=CC=CC=C4
InChI: InChI=1S/C20H25Cl2N3/c21-19-17(23-20(22)24-19)9-11-25-10-8-16-13-15(6-7-18(16)25)12-14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2,(H,23,24)/t15-,16+,18-/m1/s1
SMILES: COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)OC
InChI: InChI=1S/C19H25NO5/c1-23-16-9-14(19(22)25-3)15(10-17(16)24-2)20-18(21)8-13-7-11-4-5-12(13)6-11/h9-13H,4-8H2,1-3H3,(H,20,21)/t11-,12+,13-/m1/s1
SMILES: CC1=C(C(=O)[C@]2([C@H](C(=CC[C@]2(C1=O)C)C=C)C3=CC=CC=C3O)C)C
InChI: InChI=1S/C22H24O3/c1-6-15-11-12-21(4)19(24)13(2)14(3)20(25)22(21,5)18(15)16-9-7-8-10-17(16)23/h6-11,18,23H,1,12H2,2-5H3/t18-,21+,22-/m1/s1
SMILES: CCCCCCCCCNC(=O)OCC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)(CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)CNC(=O)C3=CC(=C(C(=C3)O)O)O
InChI: InChI=1S/C35H57N3O19/c1-2-3-4-5-6-7-8-9-36-34(52)55-17-35(15-53-32-29(49)27(47)25(45)21(13-39)56-32,16-54-33-30(50)28(48)26(46)22(14-40)57-33)38-23(43)12-37-31(51)18-10-19(41)24(44)20(42)11-18/h10-11,21-22,25-30,32-33,39-42,44-50H,2-9,12-17H2,1H3,(H,36,52)(H,37,51)(H,38,43)/t21-,22-,25+,26+,27+,28+,29-,30-,32-,33-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@H]4C[C@@H](O[C@H]4O3)OC)CC=O
InChI: InChI=1S/C26H34O5Si/c1-26(2,3)32(19-11-7-5-8-12-19,20-13-9-6-10-14-20)29-18-23-21(15-16-27)22-17-24(28-4)31-25(22)30-23/h5-14,16,21-25H,15,17-18H2,1-4H3/t21-,22+,23+,24+,25+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@H](O[C@@H]([C@@H]2OCC3=CC=CC=C3)CC=C)[C@H](CC=C)O)C
InChI: InChI=1S/C22H30O5/c1-5-10-16(23)18-20-21(27-22(3,4)26-20)19(17(25-18)11-6-2)24-14-15-12-8-7-9-13-15/h5-9,12-13,16-21,23H,1-2,10-11,14H2,3-4H3/t16-,17+,18+,19-,20-,21+/m0/s1
SMILES: CCO[C@]1(CCN2[C@H](C[C@H]([C@@H]2[C@H]1NC(=O)C)/C=C\C)C(=O)O)CCO.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C18H30N2O5.C2HF3O2/c1-4-6-13-11-14(17(23)24)20-9-7-18(8-10-21,25-5-2)16(15(13)20)19-12(3)22;3-2(4,5)1(6)7/h4,6,13-16,21H,5,7-11H2,1-3H3,(H,19,22)(H,23,24);(H,6,7)/b6-4-;/t13-,14-,15-,16-,18-;/m1./s1
SMILES: C[C@H]1[C@@H]2CC[C@@]3(CC4=C([C@H]([C@@H]3[C@H]2OC1=O)C)N=C(S4)NS(=O)(=O)C5=CC(=C(C=C5)F)Cl)C
InChI: InChI=1S/C22H24ClFN2O4S2/c1-10-13-6-7-22(3)9-16-18(11(2)17(22)19(13)30-20(10)27)25-21(31-16)26-32(28,29)12-4-5-15(24)14(23)8-12/h4-5,8,10-11,13,17,19H,6-7,9H2,1-3H3,(H,25,26)/t10-,11-,13-,17+,19-,22+/m0/s1
SMILES: CCOP(=O)(OCC)O/C(=C(/CCC#C[Si](C)(C)C)\C(=O)O[C@H]1[C@H]2[C@@H](CO[C@]13COC(O3)(C)C)OC(O2)(C)C)/C
InChI: InChI=1S/C27H45O11PSi/c1-11-32-39(29,33-12-2)37-19(3)20(15-13-14-16-40(8,9)10)24(28)34-23-22-21(35-26(6,7)36-22)17-30-27(23)18-31-25(4,5)38-27/h21-23H,11-13,15,17-18H2,1-10H3/b20-19-/t21-,22-,23+,27+/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N4CCCN4[C@@H]3C2=O)C5=CC=CC=C5
InChI: InChI=1S/C21H21N3O3/c1-27-16-10-8-15(9-11-16)24-20(25)17-18(14-6-3-2-4-7-14)22-12-5-13-23(22)19(17)21(24)26/h2-4,6-11,17-19H,5,12-13H2,1H3/t17-,18+,19+/m1/s1
SMILES: C1[C@H]([C@@H]1C(=O)N(CC2=C3C(=CC=C2)OCO3)CC4=CC=CC=N4)C5=CC=CC=C5
InChI: InChI=1S/C24H22N2O3/c27-24(21-13-20(21)17-7-2-1-3-8-17)26(15-19-10-4-5-12-25-19)14-18-9-6-11-22-23(18)29-16-28-22/h1-12,20-21H,13-16H2/t20-,21+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)N=C2N([C@H]3[C@H]([C@@H](C[C@@H]([C@H]3S2)C(=O)N)O)O)CC4=CC=C(C=C4)F
InChI: InChI=1S/C23H27FN4O3S/c1-27(2)16-9-7-15(8-10-16)26-23-28(12-13-3-5-14(24)6-4-13)19-20(30)18(29)11-17(22(25)31)21(19)32-23/h3-10,17-21,29-30H,11-12H2,1-2H3,(H2,25,31)/t17-,18+,19-,20-,21+/m0/s1
SMILES: CC1(C[C@H]2[C@H](C/C=C\C[C@H]3[C@H]2[C@H]1OC3=O)O)C
InChI: InChI=1S/C14H20O3/c1-14(2)7-9-10(15)6-4-3-5-8-11(9)12(14)17-13(8)16/h3-4,8-12,15H,5-7H2,1-2H3/b4-3-/t8-,9-,10-,11+,12+/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H16Cl2N2O4S/c1-26-13-5-2-11(3-6-13)21-16-9-27(24,25)10-17(16)22(18(21)23)12-4-7-14(19)15(20)8-12/h2-8,16-17H,9-10H2,1H3/t16-,17+/m1/s1
SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.[Na]
InChI: InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/t13-,14-,15+,20-;/m1./s1
SMILES: CC1=CC=C(C=C1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C34H35NO7/c1-25-17-19-29(20-18-25)41-34-31(35(36)37)33(40-23-28-15-9-4-10-16-28)32(39-22-27-13-7-3-8-14-27)30(42-34)24-38-21-26-11-5-2-6-12-26/h2-20,30-34H,21-24H2,1H3/t30-,31-,32+,33-,34+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC(=C(C=C2)C)N
InChI: InChI=1S/C18H26N2O3/c1-11-5-4-6-16(13(11)3)20-17(21)10-23-18(22)14-8-7-12(2)15(19)9-14/h7-9,11,13,16H,4-6,10,19H2,1-3H3,(H,20,21)/t11-,13+,16+/m1/s1
SMILES: C1CCC(CC1)OC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C26H25NO4/c28-20(31-15-8-2-1-3-9-15)14-27-25(29)23-21-16-10-4-5-11-17(16)22(24(23)26(27)30)19-13-7-6-12-18(19)21/h4-7,10-13,15,21-24H,1-3,8-9,14H2/t21?,22?,23-,24-/m1/s1
SMILES: C[C@@H](CCC1=CC=CO1)N(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)O
InChI: InChI=1S/C17H25NO4/c1-12(9-10-13-6-5-11-22-13)18(2)16(19)14-7-3-4-8-15(14)17(20)21/h5-6,11-12,14-15H,3-4,7-10H2,1-2H3,(H,20,21)/t12-,14+,15-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=CN=C2)Br
InChI: InChI=1S/C17H23BrN2O3/c1-10-5-4-6-15(11(10)2)20-16(21)12(3)23-17(22)13-7-14(18)9-19-8-13/h7-12,15H,4-6H2,1-3H3,(H,20,21)/t10-,11-,12-,15+/m1/s1
SMILES: C[C@H]1CO[C@H](O[C@H]1[C@@H](C)[C@H](CCO)O[Si](C)(C)C(C)(C)C)C2=CC=C(C=C2)OC
InChI: InChI=1S/C23H40O5Si/c1-16-15-26-22(18-9-11-19(25-6)12-10-18)27-21(16)17(2)20(13-14-24)28-29(7,8)23(3,4)5/h9-12,16-17,20-22,24H,13-15H2,1-8H3/t16-,17-,20-,21+,22+/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(/C=C\[Se]C4=CC=CC=C4)O)CCC5=C3C=CC(=C5)O)C=C
InChI: InChI=1S/C28H32O2Se/c1-3-19-18-27(2)25(24-11-9-20-17-21(29)10-12-23(20)26(19)24)13-14-28(27,30)15-16-31-22-7-5-4-6-8-22/h3-8,10,12,15-17,19,24-26,29-30H,1,9,11,13-14,18H2,2H3/b16-15-/t19-,24-,25-,26+,27-,28+/m0/s1
SMILES: CCNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN(C)[C@@H](C)[C@@H](C5=CC=CC=C5)O
InChI: InChI=1S/C39H47N3O5/c1-5-40-39(45)41-23-33-13-9-10-14-34(33)29-19-21-32(22-20-29)38-46-35(24-42(4)27(3)36(44)30-11-7-6-8-12-30)26(2)37(47-38)31-17-15-28(25-43)16-18-31/h6-22,26-27,35-38,43-44H,5,23-25H2,1-4H3,(H2,40,41,45)/t26-,27+,35+,36+,37+,38+/m1/s1
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCNC(=O)CCCCCCCCCCCSCC3=CC=CC=C3)NC(=O)N2
InChI: InChI=1S/C35H58N4O5S2/c40-32(18-11-6-4-2-1-3-5-7-14-26-45-27-29-15-9-8-10-16-29)36-20-22-43-24-25-44-23-21-37-33(41)19-13-12-17-31-34-30(28-46-31)38-35(42)39-34/h8-10,15-16,30-31,34H,1-7,11-14,17-28H2,(H,36,40)(H,37,41)(H2,38,39,42)/t30-,31-,34-/m0/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCCC(=O)O
InChI: InChI=1S/C22H19NO4/c24-16(25)10-5-11-23-21(26)19-17-12-6-1-2-7-13(12)18(20(19)22(23)27)15-9-4-3-8-14(15)17/h1-4,6-9,17-20H,5,10-11H2,(H,24,25)/t17?,18?,19-,20-/m1/s1
SMILES: CC[C@@H](COC(=O)C(C)(C)C)[C@@H]([C@@H]1[C@H](OC(O1)(C)C)C=C)O
InChI: InChI=1S/C17H30O5/c1-8-11(10-20-15(19)16(3,4)5)13(18)14-12(9-2)21-17(6,7)22-14/h9,11-14,18H,2,8,10H2,1,3-7H3/t11-,12+,13-,14-/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)C4CC4
InChI: InChI=1S/C16H18N2O4S2/c1-22-12-6-4-11(5-7-12)18-13-8-24(20,21)9-14(13)23-16(18)17-15(19)10-2-3-10/h4-7,10,13-14H,2-3,8-9H2,1H3/t13-,14-/m1/s1
SMILES: CC(C)(C)C(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O
InChI: InChI=1S/C12H22O7/c1-12(2,3)11(16)19-9-8(15)7(14)6(5-13)18-10(9)17-4/h6-10,13-15H,5H2,1-4H3/t6-,7-,8+,9-,10+/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@]3(C2=O)C5=CC=CC=C5)C=C4
InChI: InChI=1S/C23H21NO2/c1-15(16-8-4-2-5-9-16)24-21(25)20-17-12-13-19(14-17)23(20,22(24)26)18-10-6-3-7-11-18/h2-13,15,17,19-20H,14H2,1H3/t15-,17+,19-,20-,23-/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CCC5(C4)OCC(CO5)(C)C)C6=CC=CC=C6OC
InChI: InChI=1S/C30H42O4/c1-28(2)17-33-30(34-18-28)14-13-20-19(15-30)9-10-22-24-11-12-26(31)29(24,3)16-23(27(20)22)21-7-5-6-8-25(21)32-4/h5-8,22-24,26-27,31H,9-18H2,1-4H3/t22-,23+,24-,26-,27+,29-/m0/s1
SMILES: C[C@@H](COC(=O)C)C1=C(C(=O)C2=C(C1=O)[C@@H]3C[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)OC(=O)C
InChI: InChI=1S/C24H28O8/c1-11(10-30-12(2)25)16-19(27)17-14-9-15-23(4,5)7-6-8-24(15,22(29)32-14)18(17)20(28)21(16)31-13(3)26/h11,14-15H,6-10H2,1-5H3/t11-,14-,15-,24+/m0/s1
SMILES: CC(C)[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)[C@@]67[C@@H]([C@]89C(=O)N([C@](C(=O)N8[C@@H]6NC1=CC=CC=C71)(SSSS9)CO)C)O
InChI: InChI=1S/C32H32N6O7S6/c1-14(2)30-26(45)38-22-28(15-9-5-8-12-18(15)34-22,19(40)31(38,48-47-30)25(44)36(30)4)29-16-10-6-7-11-17(16)33-21(29)37-23(42)27(13-39)35(3)24(43)32(37,20(29)41)49-51-50-46-27/h5-12,14,19-22,33-34,39-41H,13H2,1-4H3/t19-,20-,21-,22+,27-,28+,29-,30-,31-,32-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O
InChI: InChI=1S/C39H36O6/c1-41-37-34(40)36(35-33(43-37)27-42-39(45-35,31-23-13-5-14-24-31)32-25-15-6-16-26-32)44-38(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2-26,33-37,40H,27H2,1H3/t33-,34-,35-,36-,37+/m1/s1
SMILES: C[C@@]12[C@@H](O1)CC3=C([C@@H]2O)C(=C4C(=O)C=CC(=O)C4=C3O)O
InChI: InChI=1S/C15H12O6/c1-15-8(21-15)4-5-9(14(15)20)13(19)11-7(17)3-2-6(16)10(11)12(5)18/h2-3,8,14,18-20H,4H2,1H3/t8-,14-,15-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=CC=CC=C4O)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
InChI: InChI=1S/C25H32N2O3/c1-24-13-11-17-15(7-10-21-25(17,2)14-12-22(29)27-21)16(24)8-9-18(24)23(30)26-19-5-3-4-6-20(19)28/h3-6,12,14-18,21,28H,7-11,13H2,1-2H3,(H,26,30)(H,27,29)/t15-,16-,17-,18+,21+,24-,25+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=C(S2)NC3=CC=CC=C3OC
InChI: InChI=1S/C19H26N4O2S2/c1-12-8-4-5-9-14(12)20-17(24)13(2)26-19-23-22-18(27-19)21-15-10-6-7-11-16(15)25-3/h6-7,10-14H,4-5,8-9H2,1-3H3,(H,20,24)(H,21,22)/t12-,13+,14-/m0/s1
SMILES: CCO/C(=C/C(=O)OCC=C)/C=C/CC[C@@]1([C@H](CCC1=O)C2=COC=C2)C
InChI: InChI=1S/C22H28O5/c1-4-13-27-21(24)15-18(26-5-2)8-6-7-12-22(3)19(9-10-20(22)23)17-11-14-25-16-17/h4,6,8,11,14-16,19H,1,5,7,9-10,12-13H2,2-3H3/b8-6+,18-15+/t19-,22-/m1/s1
SMILES: COC(=O)C1[C@H]2[C@H]3[C@H]4[C@@H]1[C@]56[C@@]27[C@@H]8C[C@H]5[C@H]9[C@@H]8[C@H]1[C@@]72[C@@]3(CC[C@@]4([C@]62[C@@H]9C1)Br)Br
InChI: InChI=1S/C23H22Br2O2/c1-27-17(26)12-13-15-16-14(12)21-7-4-6-10-8-5-9(11(7)10)23(21)19(16,25)3-2-18(15,24)22(8,23)20(6,13)21/h6-16H,2-5H2,1H3/t6-,7+,8+,9-,10+,11-,12?,13+,14-,15+,16-,18+,19-,20-,21+,22-,23-/m1/s1
SMILES: C[C@H](CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@@](C[C@@H](C4)O)(C)O)C)C
InChI: InChI=1S/C23H36O3/c1-14(13-24)18-7-8-19-17-6-5-15-11-16(25)12-22(3,26)23(15,4)20(17)9-10-21(18,19)2/h5-6,14,16,18-20,24-26H,7-13H2,1-4H3/t14-,16-,18-,19+,20+,21-,22+,23+/m1/s1
SMILES: CC(C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C27H37IN2O8/c1-16(2)9-24(33)30(14-19-5-4-8-37-19)21-12-18(27(35)29-6-7-31)13-22(25(21)34)38-26-20(28)10-17(15-32)11-23(26)36-3/h10-11,13,15-16,19,21-22,25,31,34H,4-9,12,14H2,1-3H3,(H,29,35)/t19-,21+,22-,25-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OCCCCCCN=[N+]=[N-])OC(=O)C
InChI: InChI=1S/C26H40N4O13/c1-15(31)29-22-20(40-17(3)33)13-26(25(36)37-6,39-12-10-8-7-9-11-28-30-27)43-24(22)23(42-19(5)35)21(41-18(4)34)14-38-16(2)32/h20-24H,7-14H2,1-6H3,(H,29,31)/t20-,21+,22+,23+,24+,26+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@]2([C@]3([C@@]2(C([NH+]=C3N)(OC)OC)C#N)C#N)C
InChI: InChI=1S/C17H18N4O2/c1-11-5-7-12(8-6-11)14(2)15(9-18)13(20)21-17(22-3,23-4)16(14,15)10-19/h5-8H,1-4H3,(H2,20,21)/p+1/t14-,15+,16-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)O[Si](C)(C)C)C)C
InChI: InChI=1S/C24H38O3Si/c1-16(25)26-22-10-9-20-19-8-7-17-15-18(27-28(4,5)6)11-13-23(17,2)21(19)12-14-24(20,22)3/h7,15,19-22H,8-14H2,1-6H3/t19-,20-,21-,22-,23-,24-/m0/s1
SMILES: C[C@]1(CC[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2(O1)C)(C)C)C)CC=O
InChI: InChI=1S/C20H34O2/c1-17(2)9-6-10-19(4)15(17)8-12-20(5)16(19)7-11-18(3,22-20)13-14-21/h14-16H,6-13H2,1-5H3/t15-,16+,18-,19-,20+/m0/s1
SMILES: C1=CC2=C(C=C1/C=C/CO)O[C@@H]([C@H](O2)CO)C3=CC(=C(C=C3)O)O
InChI: InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1+/t17-,18-/m1/s1