EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1[C@@H]2[C@H]([C@H]3C=C[C@]4([C@@H]2[C@]3(C1=O)C=O)C5=CC=CC=C5N(C4=O)COC)CO
InChI: InChI=1S/C21H22N2O5/c1-22-16-12(9-24)13-7-8-20(17(16)21(13,10-25)18(22)26)14-5-3-4-6-15(14)23(11-28-2)19(20)27/h3-8,10,12-13,16-17,24H,9,11H2,1-2H3/t12-,13+,16+,17+,20+,21-/m0/s1
SMILES: COCO[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2[C@H]([C@H]1O)C(=O)OC
InChI: InChI=1S/C13H21NO6/c1-18-6-20-9-3-7-5-14-10(15)4-8(7)11(12(9)16)13(17)19-2/h7-9,11-12,16H,3-6H2,1-2H3,(H,14,15)/t7-,8+,9-,11-,12+/m1/s1
SMILES: CC(=O)OCC([C@]1(CC[C@H]2[C@](O1)(CC[C@@H]3[C@@]2([C@@H](CC[C@@]3(C)COC(=O)C)OC(=O)C)C)C)C)OC(=O)C
InChI: InChI=1S/C28H44O9/c1-17(29)33-15-24(36-20(4)32)27(7)14-10-22-26(6,37-27)13-9-21-25(5,16-34-18(2)30)12-11-23(28(21,22)8)35-19(3)31/h21-24H,9-16H2,1-8H3/t21-,22-,23+,24?,25-,26+,27+,28-/m0/s1
SMILES: CC1=C(C=CC(=C1)C(=O)N/N=C(\C)/[C@@H]2C[C@H]3CC[C@H]2C3)[N+](=O)[O-]
InChI: InChI=1S/C17H21N3O3/c1-10-7-14(5-6-16(10)20(22)23)17(21)19-18-11(2)15-9-12-3-4-13(15)8-12/h5-7,12-13,15H,3-4,8-9H2,1-2H3,(H,19,21)/b18-11+/t12-,13-,15-/m0/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC=CC=C6)C)C(=O)N(C4=O)C(=O)N)O
InChI: InChI=1S/C29H27N3O6/c1-14-12-15(8-11-21(14)33)23-17-9-10-18-22(26(36)32(24(18)34)28(30)38)19(17)13-20-25(35)31(27(37)29(20,23)2)16-6-4-3-5-7-16/h3-9,11-12,18-20,22-23,33H,10,13H2,1-2H3,(H2,30,38)/t18-,19+,20-,22-,23-,29+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]
InChI: InChI=1S/C19H30N4O4S/c1-14-5-4-6-17(15(14)2)20-18-8-7-16(13-19(18)23(24)25)28(26,27)22-11-9-21(3)10-12-22/h7-8,13-15,17,20H,4-6,9-12H2,1-3H3/p+1/t14-,15+,17-/m0/s1
SMILES: CCCCO[C@@]12CCC(=O)[C@H]3[C@@]14CCN(C2CC5=C4C(=C(C=C5)O)O3)CC6CC6
InChI: InChI=1S/C24H31NO4/c1-2-3-12-28-24-9-8-18(27)22-23(24)10-11-25(14-15-4-5-15)19(24)13-16-6-7-17(26)21(29-22)20(16)23/h6-7,15,19,22,26H,2-5,8-14H2,1H3/t19?,22-,23-,24+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)O)C)C
InChI: InChI=1S/C39H62O9/c1-22(2)10-9-11-23(3)30-14-15-31-29-13-12-27-20-28(16-18-38(27,7)32(29)17-19-39(30,31)8)47-37-34(43)36(46-26(6)42)35(45-25(5)41)33(48-37)21-44-24(4)40/h12,22-23,28-37,43H,9-11,13-21H2,1-8H3/t23-,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38+,39-/m1/s1
SMILES: CC(C)(C)NC(=O)C1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)N)O
InChI: InChI=1S/C24H39N3O2/c1-24(2,3)26-23(29)21-14-18-11-7-8-12-19(18)15-27(21)16-22(28)20(25)13-17-9-5-4-6-10-17/h4-6,9-10,18-22,28H,7-8,11-16,25H2,1-3H3,(H,26,29)/t18-,19+,20-,21?,22+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N2CCN(CC2)C3=CC=CC=C3O
InChI: InChI=1S/C20H31N3O2/c1-15-7-3-4-8-17(15)21-20(25)16(2)22-11-13-23(14-12-22)18-9-5-6-10-19(18)24/h5-6,9-10,15-17,24H,3-4,7-8,11-14H2,1-2H3,(H,21,25)/t15-,16+,17-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)COC(=O)/C=C/C(=O)O
InChI: InChI=1S/C34H52O5/c1-21(2)22-12-17-34(20-39-28(38)11-10-27(36)37)19-18-32(6)23(29(22)34)8-9-25-31(5)15-14-26(35)30(3,4)24(31)13-16-33(25,32)7/h10-11,22-26,29,35H,1,8-9,12-20H2,2-7H3,(H,36,37)/b11-10+/t22-,23+,24-,25+,26-,29+,31-,32+,33+,34+/m0/s1
SMILES: C[C@]12CC=C3[C@H]([C@@H]1CCC24OCCO4)CC=C5[C@@]3(CCC6(C5)OCCO6)CCSCSC
InChI: InChI=1S/C26H38O4S2/c1-23-7-5-22-20(21(23)6-8-26(23)29-14-15-30-26)4-3-19-17-25(27-12-13-28-25)10-9-24(19,22)11-16-32-18-31-2/h3,5,20-21H,4,6-18H2,1-2H3/t20-,21-,23-,24+/m0/s1
SMILES: COC(=O)[C@@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=CC=C4)CO
InChI: InChI=1S/C19H18N2O5S/c1-26-18(25)19(10-22)14-13(15(20-19)12-8-5-9-27-12)16(23)21(17(14)24)11-6-3-2-4-7-11/h2-9,13-15,20,22H,10H2,1H3/p+1/t13-,14-,15-,19-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@]3([C@@H]([C@H]([C@H]([C@H](C(=O)O1)C)OCC(=C)CO3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)OC(=O)C)C)C)C)N(C(=O)O2)CCCCCC5=CC=CC=C5)C
InChI: InChI=1S/C47H72N2O11/c1-13-37-47(10)41(49(45(53)60-47)23-19-15-18-22-35-20-16-14-17-21-35)31(5)38(51)29(3)25-46(9)42(32(6)39(33(7)43(52)58-37)54-26-28(2)27-55-46)59-44-40(57-34(8)50)36(48(11)12)24-30(4)56-44/h14,16-17,20-21,29-33,36-37,39-42,44H,2,13,15,18-19,22-27H2,1,3-12H3/t29-,30-,31+,32+,33-,36+,37-,39-,40-,41-,42-,44+,46+,47-/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)C(=O)O)O)C6=CC=C(O6)CO
InChI: InChI=1S/C29H23NO9/c1-12-8-20(32)19-10-18-15(24(25(19)26(12)34)22-7-3-14(11-31)39-22)5-6-17-23(18)28(36)30(27(17)35)13-2-4-16(29(37)38)21(33)9-13/h2-5,7-9,17-18,23-24,31,33H,6,10-11H2,1H3,(H,37,38)/t17-,18+,23-,24+/m0/s1
SMILES: COCO[C@@H]1[C@H](C([C@H]([C@H](C1O)OCOC)OCOC)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCOC
InChI: InChI=1S/C28H41O13P/c1-31-17-35-24-23(29)25(36-18-32-2)27(38-20-34-4)28(26(24)37-19-33-3)41-42(30,39-15-21-11-7-5-8-12-21)40-16-22-13-9-6-10-14-22/h5-14,23-29H,15-20H2,1-4H3/t23?,24-,25-,26-,27+,28?/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=NON=C3NC(=O)CC4=CC=CC=C4
InChI: InChI=1S/C18H18N4O4/c23-14(10-11-6-2-1-3-7-11)19-15-16(21-26-20-15)22-17(24)12-8-4-5-9-13(12)18(22)25/h1-3,6-7,12-13H,4-5,8-10H2,(H,19,20,23)/t12-,13-/m0/s1
SMILES: CC1=C(N=C([N+](=C1N)N)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O[C@@H](C4=CC(=C(C=C4)O)O)C(=O)O)/C5=CSC(=N5)N)SC2)C(=O)OCC6=CC=C(C=C6)OC)N
InChI: InChI=1S/C34H34N10O10S3/c1-14-26(35)41-34(44(38)27(14)36)57-12-17-11-55-30-23(29(48)43(30)24(17)32(51)53-10-15-3-6-18(52-2)7-4-15)40-28(47)22(19-13-56-33(37)39-19)42-54-25(31(49)50)16-5-8-20(45)21(46)9-16/h3-9,13,23,25,30H,10-12,38H2,1-2H3,(H9,35,36,37,39,40,42,45,46,47,49,50)/p+1/t23-,25+,30-/m1/s1
SMILES: CC(C)[C@@H]1CC=C([C@@]1(C)CC/C(=C/CO[Si](C)(C)C(C)(C)C)/C)I
InChI: InChI=1S/C21H39IOSi/c1-16(2)18-10-11-19(22)21(18,7)14-12-17(3)13-15-23-24(8,9)20(4,5)6/h11,13,16,18H,10,12,14-15H2,1-9H3/b17-13+/t18-,21-/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC(=C(C=C2OC)NC(=O)C3=CC=CC=C3)OC
InChI: InChI=1S/C22H24N2O6/c1-13-9-15(13)22(27)30-12-20(25)23-16-10-19(29-3)17(11-18(16)28-2)24-21(26)14-7-5-4-6-8-14/h4-8,10-11,13,15H,9,12H2,1-3H3,(H,23,25)(H,24,26)/t13-,15-/m0/s1
SMILES: CC(C)C[C@@](CC(=O)O)(C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)/C=C/C2=CC=CC=C2)O)O
InChI: InChI=1S/C23H30O11/c1-13(2)10-23(22(30)31,11-16(25)26)34-21-19(29)18(28)20(15(12-24)32-21)33-17(27)9-8-14-6-4-3-5-7-14/h3-9,13,15,18-21,24,28-29H,10-12H2,1-2H3,(H,25,26)(H,30,31)/b9-8+/t15-,18-,19-,20-,21+,23-/m1/s1
SMILES: CC1=C(OC(=O)O1)COC(=O)[C@H]2C(S[C@H]3N2C(=O)[C@H]3NC(=O)[C@@H](C4=CC=CC=C4)N)(C)C.F
InChI: InChI=1S/C21H23N3O7S.FH/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11;/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25);1H/t13-,14-,15+,18-;/m1./s1
SMILES: C[C@H]1C[C@H]([C@@H]([C@H](O1)OC)O)NC(=O)N(CCCl)N=O
InChI: InChI=1S/C10H18ClN3O5/c1-6-5-7(8(15)9(18-2)19-6)12-10(16)14(13-17)4-3-11/h6-9,15H,3-5H2,1-2H3,(H,12,16)/t6-,7+,8-,9-/m0/s1
SMILES: CCCNC1=C2C[C@H](C[C@H]([C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\C=C(\C(=O)NC(=CC1=O)C2=O)/C)OC)OC(=O)N)\C)C)OC(=O)CCCN)OC)C
InChI: InChI=1S/C35H52N4O9/c1-8-15-38-30-24-16-20(2)17-28(46-7)33(47-29(41)13-10-14-36)23(5)18-22(4)32(48-35(37)44)27(45-6)12-9-11-21(3)34(43)39-25(31(24)42)19-26(30)40/h9,11-12,18-20,23,27-28,32-33,38H,8,10,13-17,36H2,1-7H3,(H2,37,44)(H,39,43)/b12-9-,21-11+,22-18+/t20-,23-,27-,28-,32-,33+/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)CSC(=S)C2=CC=CC=C2)O)O)O
InChI: InChI=1S/C16H22N2O4S2/c1-9-13(20)15(22)14(21)11(18-9)7-17-12(19)8-24-16(23)10-5-3-2-4-6-10/h2-6,9,11,13-15,18,20-22H,7-8H2,1H3,(H,17,19)/t9-,11+,13+,14+,15+/m0/s1
SMILES: CC(C)(C)OC(=O)NC(=N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C17H31N3O9/c1-16(2,3)28-14(25)19-13(20-15(26)29-17(4,5)6)18-9-11(23)10(22)8(7-21)27-12(9)24/h8-12,21-24H,7H2,1-6H3,(H2,18,19,20,25,26)/t8-,9-,10-,11-,12?/m1/s1
SMILES: C1CCC[C@@H]2CN3CCCC/C=C\CCCC[C@H]4C[C@@H]([C@H]2CC3)CN(C4)CCCC/C=C\CC1
InChI: InChI=1S/C32H56N2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h2,4-6,29-32H,1,3,7-28H2/b5-2-,6-4-/t29-,30+,31+,32-/m0/s1
SMILES: CCOC1=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)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)O
InChI: InChI=1S/C36H28BrCl2N3O7/c1-2-48-27-15-19(9-14-25(27)43)29-21-12-13-22-28(23(21)16-35(38)33(46)41(17-37)34(47)36(29,35)39)32(45)42(31(22)44)20-10-7-18(8-11-20)30-40-24-5-3-4-6-26(24)49-30/h3-12,14-15,22-23,28-29,43H,2,13,16-17H2,1H3/t22-,23+,28-,29-,35+,36-/m0/s1
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N
InChI: InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2C3=C(C=C(C=C3)Cl)OC2=O
InChI: InChI=1S/C17H21ClN2O3/c1-10-4-3-5-13(11(10)2)19-16(21)9-20-14-7-6-12(18)8-15(14)23-17(20)22/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,19,21)/t10-,11-,13-/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)[C@@H](CC#C)O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C18H22O5/c1-4-8-13(19)14-15(20-11-12-9-6-5-7-10-12)16-17(21-14)23-18(2,3)22-16/h1,5-7,9-10,13-17,19H,8,11H2,2-3H3/t13-,14-,15-,16+,17+/m1/s1
SMILES: CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3/t16-,17-,18+,19+,20-,22-,23-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1COC(=C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)C2(CCC2)O
InChI: InChI=1S/C27H54O4Si2/c1-18(2)32(19(3)4,20(5)6)30-24-16-26(27(28)14-13-15-27)29-17-25(24)31-33(21(7)8,22(9)10)23(11)12/h16,18-25,28H,13-15,17H2,1-12H3/t24-,25+/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)C3=CN(C4=CC=CC=C43)C(=O)C)CCOCCOCCO
InChI: InChI=1S/C34H50N2O11/c1-3-46-34-28(8-12-40-16-19-43-15-11-37)29(30-25-36(26(2)38)31-7-5-4-6-27(30)31)24-32(47-34)33(39)35-9-13-41-17-20-44-22-23-45-21-18-42-14-10-35/h4-7,24-25,28-29,34,37H,3,8-23H2,1-2H3/t28-,29+,34-/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H26N2O3S/c25-22(24-14-13-17-7-4-5-8-19(17)16-24)18-9-6-10-20(15-18)23-28(26,27)21-11-2-1-3-12-21/h1-3,6,9-12,15,17,19,23H,4-5,7-8,13-14,16H2/t17-,19-/m1/s1
SMILES: C1CC(=CC(=O)C1)N=C2C[C@H]3[C@@H](CO[C@@H](O3)C4=CC=CC=C4)OC2=O
InChI: InChI=1S/C19H19NO5/c21-14-8-4-7-13(9-14)20-15-10-16-17(24-18(15)22)11-23-19(25-16)12-5-2-1-3-6-12/h1-3,5-6,9,16-17,19H,4,7-8,10-11H2/t16-,17+,19-/m0/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CCN(C[C@@H]2C3=CC=C(C=C3)F)C4CCC(CC4)N5C=NN=C5
InChI: InChI=1S/C29H31F7N4O/c1-18(20-12-21(28(31,32)33)14-22(13-20)29(34,35)36)41-27-10-11-39(15-26(27)19-2-4-23(30)5-3-19)24-6-8-25(9-7-24)40-16-37-38-17-40/h2-5,12-14,16-18,24-27H,6-11,15H2,1H3/t18-,24?,25?,26-,27+/m1/s1
SMILES: C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O
InChI: InChI=1S/C27H26O12/c28-12-21-23(34)24(35)25(39-26(36)15-9-19(31)22(33)20(32)10-15)27(38-21)37-18-8-14(7-17(30)11-18)2-1-13-3-5-16(29)6-4-13/h1-11,21,23-25,27-35H,12H2/b2-1+/t21-,23+,24+,25-,27-/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@]1(CC3=C([C@H]2C)C=CO3)COC(=O)C)C
InChI: InChI=1S/C17H24O3/c1-11-5-7-16(4)12(2)14-6-8-19-15(14)9-17(11,16)10-20-13(3)18/h6,8,11-12H,5,7,9-10H2,1-4H3/t11-,12-,16+,17-/m1/s1
SMILES: CCCCCCCCC/C=C/C=C(\C)/C1CC(=O)NC[C@@H]([C@@H](C(=O)NCC/C=C/C=C/C=C/C(=O)O1)C)O
InChI: InChI=1S/C31H48N2O5/c1-4-5-6-7-8-9-10-11-14-17-20-25(2)28-23-29(35)33-24-27(34)26(3)31(37)32-22-19-16-13-12-15-18-21-30(36)38-28/h12-18,20-21,26-28,34H,4-11,19,22-24H2,1-3H3,(H,32,37)(H,33,35)/b15-12+,16-13+,17-14+,21-18+,25-20+/t26-,27-,28?/m0/s1
SMILES: C[C@@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@H]4CNCCN(C)C)C
InChI: InChI=1S/C19H32N2O3/c1-12-6-5-7-18(2)10-14-15(16-19(12,18)24-16)13(17(22)23-14)11-20-8-9-21(3)4/h12-16,20H,5-11H2,1-4H3/t12-,13+,14-,15-,16+,18-,19+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@@H]([C@@H]([P@@]1(=O)C2=CC=CC=C2)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H26NO8P/c1-11-18(27-13(3)23)19(28-14(4)24)17(21-12(2)22)20(29-15(5)25)30(11,26)16-9-7-6-8-10-16/h6-11,17-20H,1-5H3,(H,21,22)/t11-,17+,18-,19+,20-,30+/m1/s1
SMILES: CC(C)C1=CC2=C(S1)CN[C@@H]3[C@@H]2C4=CC(=C(C=C4CC3)OC)OC
InChI: InChI=1S/C20H25NO2S/c1-11(2)18-9-14-19(24-18)10-21-15-6-5-12-7-16(22-3)17(23-4)8-13(12)20(14)15/h7-9,11,15,20-21H,5-6,10H2,1-4H3/t15-,20+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OP(=O)([C@@H](C(C)C)O)O[C@@H]2C[C@H](CC[C@@H]2C(C)C)C)C(C)C
InChI: InChI=1S/C24H47O4P/c1-15(2)20-11-9-18(7)13-22(20)27-29(26,24(25)17(5)6)28-23-14-19(8)10-12-21(23)16(3)4/h15-25H,9-14H2,1-8H3/t18-,19+,20-,21-,22-,23-,24+,29?/m1/s1
SMILES: CCC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CO3)OC(=O)C4=CC=CO4)Cl
InChI: InChI=1S/C21H19ClN2O9/c1-2-11-9-24(21(28)23-17(11)25)18-15(22)16(33-20(27)13-6-4-8-30-13)14(32-18)10-31-19(26)12-5-3-7-29-12/h3-9,14-16,18H,2,10H2,1H3,(H,23,25,28)/t14-,15-,16-,18-/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2[C@@]([C@H]3CCCCC3=N2)(C(F)(F)F)O
InChI: InChI=1S/C19H23F3N2O2/c1-17(2,3)13-10-8-12(9-11-13)16(25)24-18(26,19(20,21)22)14-6-4-5-7-15(14)23-24/h8-11,14,26H,4-7H2,1-3H3/t14-,18+/m0/s1
SMILES: C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC5(C4)OCCO5)C)C
InChI: InChI=1S/C29H50O3/c1-19(2)26(30)11-6-20(3)23-9-10-24-22-8-7-21-18-29(31-16-17-32-29)15-14-27(21,4)25(22)12-13-28(23,24)5/h19-26,30H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1
SMILES: C[C@@H](CCCCCCCCCC[C@@H]1[C@@H]([C@H](OC(O1)(C)C)CO)OCOCCOC)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C39H64O7Si/c1-32(46-47(38(2,3)4,33-23-17-14-18-24-33)34-25-19-15-20-26-34)22-16-12-10-8-9-11-13-21-27-35-37(43-31-42-29-28-41-7)36(30-40)45-39(5,6)44-35/h14-15,17-20,23-26,32,35-37,40H,8-13,16,21-22,27-31H2,1-7H3/t32-,35+,36+,37-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3([C@H]4N2N=CC5=CC=CC=C45)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C32H21N3O5/c36-28(20-8-2-1-3-9-20)27-26(19-14-16-22(17-15-19)35(39)40)32(30(37)24-12-6-7-13-25(24)31(32)38)29-23-11-5-4-10-21(23)18-33-34(27)29/h1-18,26-27,29H/t26-,27+,29-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C5=CC=NN5C6=CC=CC=C6)C)C
InChI: InChI=1S/C30H38N2O2/c1-20(33)34-23-13-16-29(2)21(19-23)9-10-24-25-11-12-27(30(25,3)17-14-26(24)29)28-15-18-31-32(28)22-7-5-4-6-8-22/h4-9,15,18,23-27H,10-14,16-17,19H2,1-3H3/t23-,24-,25-,26-,27+,29-,30-/m0/s1
SMILES: CC[C@H]1[C@@]([C@H]([C@@H](N(C[C@@H](C[C@@]([C@@H]([C@@H]([C@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
InChI: InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,35+,36-,37-,38-/m1/s1
SMILES: CC(CCCC(C)[C@H]1C(=O)CC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)CO
InChI: InChI=1S/C27H42O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h14,17-18,21-23,25,28H,5-13,15-16H2,1-4H3/t17?,18?,21?,22?,23?,25-,26-,27-/m0/s1
SMILES: C1CC=C2[C@@H](C1)[C@@H](C(C(C2=N)C#N)(C#N)C#N)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H15FN4/c20-13-7-5-12(6-8-13)17-14-3-1-2-4-15(14)18(24)16(9-21)19(17,10-22)11-23/h4-8,14,16-17,24H,1-3H2/t14-,16?,17+/m1/s1
SMILES: CCC1=CC(=C(C=C1)C2=N[C@@H]([C@@H](N2C(=O)N3CCNCC3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)OCC
InChI: InChI=1S/C30H32Cl2N4O2/c1-3-20-5-14-25(26(19-20)38-4-2)29-34-27(21-6-10-23(31)11-7-21)28(22-8-12-24(32)13-9-22)36(29)30(37)35-17-15-33-16-18-35/h5-14,19,27-28,33H,3-4,15-18H2,1-2H3/t27-,28+/m1/s1
SMILES: CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C
InChI: InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-20,33-34,41-42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34+,39-,40+/m1/s1
SMILES: C[C@@]12C[C@@H](C[C@H]([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)[C@@H](C4)/C=N/NC(=O)N)C(=O)OC)O
InChI: InChI=1S/C21H33N3O4/c1-20-10-14(25)7-15(18(26)28-2)16(20)5-6-21-8-12(3-4-17(20)21)13(9-21)11-23-24-19(22)27/h11-17,25H,3-10H2,1-2H3,(H3,22,24,27)/b23-11+/t12-,13-,14+,15+,16+,17-,20+,21-/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)COCC2=CC=CC=C2)CC3(SCCCS3)C)C
InChI: InChI=1S/C19H28O3S2/c1-18(2)21-16(12-19(3)23-10-7-11-24-19)17(22-18)14-20-13-15-8-5-4-6-9-15/h4-6,8-9,16-17H,7,10-14H2,1-3H3/t16-,17-/m1/s1
SMILES: CC(=CC(=O)O/C=C/[C@H]1[C@@H](C(=O)[C@@]2(COC(C3[C@@H]2C[C@@]1(CC3)C)(C)C)O)CC(=O)C)C
InChI: InChI=1S/C25H36O6/c1-15(2)11-21(27)30-10-8-18-17(12-16(3)26)22(28)25(29)14-31-23(4,5)19-7-9-24(18,6)13-20(19)25/h8,10-11,17-20,29H,7,9,12-14H2,1-6H3/b10-8+/t17-,18-,19?,20-,24-,25-/m0/s1
SMILES: C1CN([C@H]2[C@@H]1N(C2=O)S(=O)(=O)O)C(=O)NC3=CC=C(C=C3)O
InChI: InChI=1S/C12H13N3O6S/c16-8-3-1-7(2-4-8)13-12(18)14-6-5-9-10(14)11(17)15(9)22(19,20)21/h1-4,9-10,16H,5-6H2,(H,13,18)(H,19,20,21)/t9-,10+/m1/s1
SMILES: CCCN(C1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CC=CC=C3)[C@H](C4CCCCC4)C(=O)O)C5=NNC(=N5)CC6=CC=CC=C6
InChI: InChI=1S/C36H50N6O2/c1-2-20-42(36-37-33(38-39-36)23-27-12-6-3-7-13-27)31-18-21-40(22-19-31)24-30-25-41(26-32(30)28-14-8-4-9-15-28)34(35(43)44)29-16-10-5-11-17-29/h3-4,6-9,12-15,29-32,34H,2,5,10-11,16-26H2,1H3,(H,43,44)(H,37,38,39)/t30-,32+,34+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3
InChI: InChI=1S/C19H25N5OS/c1-3-12-24-18(15-8-10-20-11-9-15)22-23-19(24)26-13-17(25)21-16-7-5-4-6-14(16)2/h3,8-11,14,16H,1,4-7,12-13H2,2H3,(H,21,25)/t14-,16-/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OC7=CC=CC(=C7)[N+](=O)[O-])OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C58H78FN3O11/c1-3-5-6-7-8-9-10-11-12-18-36-69-57(65)61(41-42-26-28-44(59)29-27-42)53-40-51(60-73-54-25-15-19-35-68-54)49-37-43(21-13-16-32-63)48(24-14-17-33-64)55-50-39-47(71-46-23-20-22-45(38-46)62(66)67)30-31-52(50)72-58(53,56(49)55)70-34-4-2/h4,20,22-23,26-31,37-39,43,48,53-56,63-64H,2-3,5-19,21,24-25,32-36,40-41H2,1H3/t43-,48+,53-,54?,55+,56+,58+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCCC[C@@H]2C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C21H29N3OS/c1-15-8-2-3-9-16(15)22-20(25)14-24-13-7-6-11-18(24)21-23-17-10-4-5-12-19(17)26-21/h4-5,10,12,15-16,18H,2-3,6-9,11,13-14H2,1H3,(H,22,25)/t15-,16-,18+/m0/s1
SMILES: CCN1C[C@@]23CCC[C@@](C1)([C@@]2(CC=CCC3)O)COC(=O)C4=CC=CC=C4N5C(=O)C[C@H](C5=O)C
InChI: InChI=1S/C28H36N2O5/c1-3-29-17-26-12-7-4-8-15-28(26,34)27(18-29,14-9-13-26)19-35-25(33)21-10-5-6-11-22(21)30-23(31)16-20(2)24(30)32/h4-6,8,10-11,20,34H,3,7,9,12-19H2,1-2H3/t20-,26-,27+,28+/m1/s1
SMILES: CC1=C[C@@H]([C@@H]2[C@@]([C@H]1CC[C@@](C)(C=C)O)(CCCC2(C)C)C)O
InChI: InChI=1S/C20H34O2/c1-7-19(5,22)12-9-15-14(2)13-16(21)17-18(3,4)10-8-11-20(15,17)6/h7,13,15-17,21-22H,1,8-12H2,2-6H3/t15-,16-,17-,19+,20+/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)C4=CC=CC(=C4)CN)CSC5=NC6=CC=CC=C6S5
InChI: InChI=1S/C33H32N2O3S2/c1-21-29(20-39-33-35-28-10-2-3-11-30(28)40-33)37-32(38-31(21)24-14-12-22(19-36)13-15-24)27-9-5-8-26(17-27)25-7-4-6-23(16-25)18-34/h2-17,21,29,31-32,36H,18-20,34H2,1H3/t21-,29+,31+,32+/m1/s1
SMILES: C[C@@]12C(=NO[C@@]1(C(=C(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C31H22ClNO2/c1-30-28(23-17-19-25(32)20-18-23)33-35-31(30,24-15-9-4-10-16-24)27(22-13-7-3-8-14-22)26(29(30)34)21-11-5-2-6-12-21/h2-20H,1H3/t30-,31+/m0/s1
SMILES: CC(C)C/C=C/[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C38H60O9/c1-21(2)10-9-11-23(33(44)47-34-32(43)31(42)30(41)27(20-39)46-34)24-14-18-38(8)26-12-13-28-35(4,5)29(45-22(3)40)16-17-36(28,6)25(26)15-19-37(24,38)7/h9,11,21,23-24,27-32,34,39,41-43H,10,12-20H2,1-8H3/b11-9+/t23-,24-,27-,28+,29-,30-,31+,32-,34+,36-,37-,38+/m1/s1
SMILES: CC1=C(NC2=C1CC3[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)OC)CCN4C)C(=O)N7CCN(CC7)C8=C(C=C(C=C8)OC)OC
InChI: InChI=1S/C34H40N4O5/c1-19-22-18-23-25-16-20-6-9-26(41-4)31-28(20)34(23,10-11-36(25)2)32(43-31)30(22)35-29(19)33(39)38-14-12-37(13-15-38)24-8-7-21(40-3)17-27(24)42-5/h6-9,17,23,25,32,35H,10-16,18H2,1-5H3/t23?,25-,32+,34+/m1/s1
SMILES: CCCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1
SMILES: COC1=CC=CC(=C1F)C2=CC=C(O2)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4
InChI: InChI=1S/C18H19FN2O3/c1-23-15-4-2-3-11(17(15)19)14-7-8-16(24-14)18(22)21-13-9-10-5-6-12(13)20-10/h2-4,7-8,10,12-13,20H,5-6,9H2,1H3,(H,21,22)/t10-,12+,13-/m1/s1
SMILES: CN1CC2C(C[C@@H]([C@]2(C(=O)O)NC(=O)CS(=O)(=O)N)O)C(=C1)C(=O)N
InChI: InChI=1S/C13H20N4O7S/c1-17-3-7(11(14)20)6-2-9(18)13(12(21)22,8(6)4-17)16-10(19)5-25(15,23)24/h3,6,8-9,18H,2,4-5H2,1H3,(H2,14,20)(H,16,19)(H,21,22)(H2,15,23,24)/t6?,8?,9-,13+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NCCC3=CC=C(C=C3)F
InChI: InChI=1S/C21H25FN2O5/c22-15-7-5-14(6-8-15)9-11-23-18(25)13-29-19(26)10-12-24-20(27)16-3-1-2-4-17(16)21(24)28/h5-8,16-17H,1-4,9-13H2,(H,23,25)/t16-,17-/m0/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@H]2[C@H](O2)[C@H]([C@H](O1)OC)O
InChI: InChI=1S/C15H30O5Si/c1-9(2)15(3,4)21(6,7)18-8-10-12-13(20-12)11(16)14(17-5)19-10/h9-14,16H,8H2,1-7H3/t10-,11-,12+,13-,14+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H]([C@]4([C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)CO4)OC(=O)C[C@H](C5=CC=CC=C5)NC)C)OC(=O)C6=CN=CC=C6)OC(=O)C
InChI: InChI=1S/C42H52N2O11/c1-23-31(51-24(2)45)19-29-35(52-25(3)46)37-41(7,17-16-32(42(37)22-50-42)54-33(48)20-30(43-8)27-13-10-9-11-14-27)38(55-39(49)28-15-12-18-44-21-28)36(53-26(4)47)34(23)40(29,5)6/h9-15,18,21,29-32,35-38,43H,16-17,19-20,22H2,1-8H3/t29-,30+,31-,32-,35+,36+,37-,38-,41+,42-/m0/s1
SMILES: CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.[C@@H]([C@@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C19H26Cl2N2O.C4H6O6/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;5-1(3(7)8)2(6)4(9)10/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t17-,18-;1-,2+/m1./s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN)CN4CCC5(CC4)OCCO5
InChI: InChI=1S/C27H36N2O5/c1-19-24(17-29-12-10-27(11-13-29)31-14-15-32-27)33-26(23-8-2-20(16-28)3-9-23)34-25(19)22-6-4-21(18-30)5-7-22/h2-9,19,24-26,30H,10-18,28H2,1H3/t19-,24+,25+,26+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NCCCOC(C)C
InChI: InChI=1S/C19H31N3O6/c1-13(2)27-10-6-9-20-15(23)12-28-16(24)11-22-17(25)19(21-18(22)26)8-5-4-7-14(19)3/h13-14H,4-12H2,1-3H3,(H,20,23)(H,21,26)/t14-,19+/m0/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N[C@H]2[C@@H]([C@@H]([C@@H](O2)[C@@H](CO)O)O)O
InChI: InChI=1S/C13H18N2O7/c1-6-2-3-7(15(20)21)4-8(6)14-13-11(19)10(18)12(22-13)9(17)5-16/h2-4,9-14,16-19H,5H2,1H3/t9-,10+,11-,12+,13-/m1/s1
SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C26H41NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-20,24,28H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,24+,25+,26-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)NCCC(=O)O)C4=C(C=C(C=C4)F)F
InChI: InChI=1S/C22H20F2N2O3/c23-13-5-6-16(18(24)11-13)21-15-3-1-2-14(15)17-10-12(4-7-19(17)26-21)22(29)25-9-8-20(27)28/h1-2,4-7,10-11,14-15,21,26H,3,8-9H2,(H,25,29)(H,27,28)/t14-,15+,21+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CO4)CCC5=CC(=O)CC[C@@H]35
InChI: InChI=1S/C19H26O2/c1-18-8-6-15-14-5-3-13(20)10-12(14)2-4-16(15)17(18)7-9-19(18)11-21-19/h10,14-17H,2-9,11H2,1H3/t14-,15-,16-,17+,18+,19-/m1/s1
SMILES: CC(=O)C12[C@@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=C(C=C6)C7=CC=CC=C7
InChI: InChI=1S/C32H23NO3/c1-19(34)32-25-13-7-5-11-23(25)27(24-12-6-8-14-26(24)32)28-29(32)31(36)33(30(28)35)22-17-15-21(16-18-22)20-9-3-2-4-10-20/h2-18,27-29H,1H3/t27?,28-,29-,32?/m1/s1