EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C/1=C\CC[C@]2([C@@H](O2)C[C@@H]3[C@@H](C/C(=C/CC1)/C)OC(=O)C3=C)C
InChI: InChI=1S/C20H28O3/c1-13-7-5-8-14(2)11-17-16(15(3)19(21)22-17)12-18-20(4,23-18)10-6-9-13/h8-9,16-18H,3,5-7,10-12H2,1-2,4H3/b13-9+,14-8+/t16-,17+,18-,20-/m0/s1
SMILES: C[C@@]12C=C[C@@H](O1)[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)N5CCOCC5
InChI: InChI=1S/C19H20N2O4/c1-19-7-6-14(25-19)15-16(19)18(23)21(17(15)22)13-4-2-12(3-5-13)20-8-10-24-11-9-20/h2-7,14-16H,8-11H2,1H3/t14-,15-,16-,19+/m1/s1
SMILES: CCC(=O)C(=O)N(CC1CC1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C25H30N2O8/c1-3-18(30)25(33)27(11-13-4-5-13)17-10-16(24(32)26-6-7-28)20-15-8-14(12-29)9-19(34-2)22(15)35-23(20)21(17)31/h8-10,12-13,17,20-21,23,28,31H,3-7,11H2,1-2H3,(H,26,32)/t17-,20+,21+,23+/m1/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C
InChI: InChI=1S/C21H18ClN3O4/c1-3-29-21(28)17-16-18(25(23-17)15-8-4-12(2)5-9-15)20(27)24(19(16)26)14-10-6-13(22)7-11-14/h4-11,16,18H,3H2,1-2H3/t16-,18-/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NC4=CC=C(C=C4)OC
InChI: InChI=1S/C22H24N2O7/c1-27-15-7-3-13(4-8-15)21(25)24-17-11-29-20-18(12-30-19(17)20)31-22(26)23-14-5-9-16(28-2)10-6-14/h3-10,17-20H,11-12H2,1-2H3,(H,23,26)(H,24,25)/t17-,18+,19+,20+/m0/s1
SMILES: CCCCC[C@@H](C#C[C@H]1[C@@H](C[C@@H]2OC[C@H]1O2)O)OC3CCCCO3
InChI: InChI=1S/C19H30O5/c1-2-3-4-7-14(23-18-8-5-6-11-21-18)9-10-15-16(20)12-19-22-13-17(15)24-19/h14-20H,2-8,11-13H2,1H3/t14-,15-,16+,17+,18?,19+/m0/s1
SMILES: C1[C@@H]2COP(=O)(OC[C@H]2OC1N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)OC6=CC=CC=C6
InChI: InChI=1S/C24H22N5O6P/c30-24(16-7-3-1-4-8-16)28-22-21-23(26-14-25-22)29(15-27-21)20-11-17-12-32-36(31,33-13-19(17)34-20)35-18-9-5-2-6-10-18/h1-10,14-15,17,19-20H,11-13H2,(H,25,26,28,30)/t17-,19-,20?,36?/m1/s1
SMILES: C/C=C/C=C/C(=O)[C@@H]1C(=C(N2[C@H](S1=O)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)COC(=O)C
InChI: InChI=1S/C37H34N2O9S/c1-3-4-8-21-29(41)34-28(22-46-24(2)40)32(37(44)48-33(25-15-9-5-10-16-25)26-17-11-6-12-18-26)39-35(43)31(36(39)49(34)45)38-30(42)23-47-27-19-13-7-14-20-27/h3-21,31,33-34,36H,22-23H2,1-2H3,(H,38,42)/b4-3+,21-8+/t31-,34+,36-,49?/m1/s1
SMILES: C1CC[NH+]2CCC[C@@H]([C@H]2C1)COC(=O)/C=C/C3=CC=CO3
InChI: InChI=1S/C17H23NO3/c19-17(9-8-15-6-4-12-20-15)21-13-14-5-3-11-18-10-2-1-7-16(14)18/h4,6,8-9,12,14,16H,1-3,5,7,10-11,13H2/p+1/b9-8+/t14-,16-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)[N+](=O)[O-]
InChI: InChI=1S/C27H20N2O6/c1-2-35-26(32)15-11-13-16(14-12-15)28-24(30)22-21-17-7-3-5-9-19(17)27(29(33)34,23(22)25(28)31)20-10-6-4-8-18(20)21/h3-14,21-23H,2H2,1H3/t21?,22-,23+,27?/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)[C@@H]3CCCO3
InChI: InChI=1S/C18H27N3O4/c1-4-24-18(23)15-9-13(15)10-21(17(22)16-6-5-7-25-16)11-14-8-12(2)20(3)19-14/h8,13,15-16H,4-7,9-11H2,1-3H3/t13-,15+,16+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC2=CC=C(C=C2)[N+](=O)[O-])O)OC(=O)C
InChI: InChI=1S/C26H32N2O16/c1-12(29)27-20-22(21(41-15(4)32)19(40-14(3)31)11-39-13(2)30)44-26(25(35)38-6,24(34)23(20)42-16(5)33)43-18-9-7-17(8-10-18)28(36)37/h7-10,19-24,34H,11H2,1-6H3,(H,27,29)/t19-,20+,21-,22-,23-,24+,26+/m1/s1
SMILES: C[C@@]12CCC[C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)/CC[C@H]2CCCCCCC(C)(C)O
InChI: InChI=1S/C28H46O3/c1-20-22(18-24(29)19-26(20)30)13-12-21-14-15-23(28(4)17-9-11-25(21)28)10-7-5-6-8-16-27(2,3)31/h12-13,23-26,29-31H,1,5-11,14-19H2,2-4H3/b21-12+,22-13-/t23-,24-,25+,26+,28+/m1/s1
SMILES: CCOCC(=O)N(CC1=CC=CC=C1F)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C28H34FIN2O8/c1-3-39-16-25(35)32(14-18-6-4-5-7-20(18)29)22-12-19(28(37)31-8-9-33)13-23(26(22)36)40-27-21(30)10-17(15-34)11-24(27)38-2/h4-7,10-11,13,22-23,26,33-34,36H,3,8-9,12,14-16H2,1-2H3,(H,31,37)/t22-,23+,26+/m1/s1
SMILES: CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCNC(=O)C3=CC=C(C=C3)C(=O)OC4CN5CCC4CC5
InChI: InChI=1S/C31H40ClN5O6/c1-41-26-16-24(33)23(32)15-22(26)30(39)35-25-9-13-37(18-28(25)42-2)14-10-34-29(38)20-3-5-21(6-4-20)31(40)43-27-17-36-11-7-19(27)8-12-36/h3-6,15-16,19,25,27-28H,7-14,17-18,33H2,1-2H3,(H,34,38)(H,35,39)/t25-,27?,28+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H]2CO[C@H]1O2)O)O
InChI: InChI=1S/C22H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)23-19-21(26)20(25)17-16-27-22(19)28-17/h17,19-22,25-26H,2-16H2,1H3,(H,23,24)/t17-,19-,20+,21-,22+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)NC5=CC=C(C=C5)[N+](=O)[O-])O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H50N6O6Si2/c1-34(2,3)48(7,8)45-22-28-27(47-49(9,10)35(4,5)6)20-29(46-28)40-23-36-30-31(40)38-33(37-25-16-18-26(19-17-25)41(42)43)39-32(30)44-21-24-14-12-11-13-15-24/h11-19,23,27-29H,20-22H2,1-10H3,(H,37,38,39)/t27-,28+,29+/m0/s1
SMILES: C/C(=N/NC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2)/C3=CC=CC=C3
InChI: InChI=1S/C18H18N2O/c1-13(14-8-4-2-5-9-14)19-20-18(21)17-12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3,(H,20,21)/b19-13-/t16-,17-/m1/s1
SMILES: C[C@@]12CO[C@H]([C@@H]1[C@H]3CC[C@@H]2C3)NC4=CC=CC=C4
InChI: InChI=1S/C16H21NO/c1-16-10-18-15(17-13-5-3-2-4-6-13)14(16)11-7-8-12(16)9-11/h2-6,11-12,14-15,17H,7-10H2,1H3/t11-,12+,14-,15+,16-/m0/s1
SMILES: C[C@H](C(=O)N[C@@H](C)P(=O)(O)OC)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C
InChI: InChI=1S/C14H28N2O13P2/c1-6(13(20)16-8(3)30(21,22)26-4)27-12-10(15-7(2)18)14(29-31(23,24)25)28-9(5-17)11(12)19/h6,8-12,14,17,19H,5H2,1-4H3,(H,15,18)(H,16,20)(H,21,22)(H2,23,24,25)/t6-,8-,9-,10-,11-,12-,14-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)[C@@H]2COC3=CC=CC=C3O2
InChI: InChI=1S/C19H25NO5/c1-12-7-3-4-8-14(12)20-18(21)13(2)24-19(22)17-11-23-15-9-5-6-10-16(15)25-17/h5-6,9-10,12-14,17H,3-4,7-8,11H2,1-2H3,(H,20,21)/t12-,13-,14-,17+/m1/s1
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C(=O)[O-]
InChI: InChI=1S/C20H20N2O3/c23-19(17-3-1-2-4-18(17)20(24)25)22-16-7-5-14(6-8-16)13-15-9-11-21-12-10-15/h1-2,5-12,17-18H,3-4,13H2,(H,22,23)(H,24,25)/p-1/t17-,18-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)CN(C(=O)C2=CC(=C(C=C2)Cl)Cl)N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C25H20Cl2N2O4/c1-13-2-4-14(5-3-13)20(30)12-28(23(31)17-8-9-18(26)19(27)11-17)29-24(32)21-15-6-7-16(10-15)22(21)25(29)33/h2-9,11,15-16,21-22H,10,12H2,1H3/t15-,16+,21+,22-
SMILES: CC(C)(C)C(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)CC3=CC(=CC=C3)OC
InChI: InChI=1S/C18H24N2O4S2/c1-18(2,3)16(21)19-17-20(9-12-6-5-7-13(8-12)24-4)14-10-26(22,23)11-15(14)25-17/h5-8,14-15H,9-11H2,1-4H3/t14-,15-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=[N+](C=C2)[O-]
InChI: InChI=1S/C16H22N2O4/c1-11-5-3-4-6-14(11)17-15(19)12(2)22-16(20)13-7-9-18(21)10-8-13/h7-12,14H,3-6H2,1-2H3,(H,17,19)/t11-,12+,14+/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)C(=O)C
InChI: InChI=1S/C36H25Cl2F5N2O7/c1-3-52-21-6-4-5-19(30(21)47)23-17-11-12-18-22(32(49)44(31(18)48)16-9-7-15(8-10-16)14(2)46)20(17)13-35(37)33(50)45(34(51)36(23,35)38)29-27(42)25(40)24(39)26(41)28(29)43/h4-11,18,20,22-23,47H,3,12-13H2,1-2H3/t18-,20+,22-,23+,35+,36-/m0/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)CNC(=O)OCC=C)CN(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C38H42N2O5/c1-3-22-43-38(42)39-23-29-14-20-34(21-15-29)37-44-35(28(2)36(45-37)33-18-16-32(27-41)17-19-33)26-40(24-30-10-6-4-7-11-30)25-31-12-8-5-9-13-31/h3-21,28,35-37,41H,1,22-27H2,2H3,(H,39,42)/t28-,35+,36+,37+/m0/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)C(C)(C)C)C5=CC=C(C=C5)OCCO
InChI: InChI=1S/C29H31NO6/c1-15-13-22(32)21-14-20-18(9-10-19-24(20)28(35)30(27(19)34)29(2,3)4)23(25(21)26(15)33)16-5-7-17(8-6-16)36-12-11-31/h5-9,13,19-20,23-24,31H,10-12,14H2,1-4H3/t19-,20+,23-,24-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=O)[C@H]3N2[C@@H]([C@@]4([C@@H]3C(=O)O)C5=C(C=CC(=C5)C#CCCO)N(C4=O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7OCCO)C8=CC=CC=C8
InChI: InChI=1S/C47H39N3O12/c51-24-10-9-11-29-20-23-36-35(27-29)47(45(56)48(36)46(57)61-28-30-18-21-33(22-19-30)50(58)59)38(43(53)54)40-44(55)62-41(32-14-5-2-6-15-32)39(31-12-3-1-4-13-31)49(40)42(47)34-16-7-8-17-37(34)60-26-25-52/h1-8,12-23,27,38-42,51-52H,10,24-26,28H2,(H,53,54)/t38-,39-,40-,41+,42+,47-/m0/s1
SMILES: CCOC(=O)C1[C@@H]2[C@H]1[C@@H]3C4=C([C@H]2OO3)[C@@H]5CC[C@H]4C5
InChI: InChI=1S/C15H18O4/c1-2-17-15(16)12-10-11(12)14-9-7-4-3-6(5-7)8(9)13(10)18-19-14/h6-7,10-14H,2-5H2,1H3/t6-,7+,10+,11-,12?,13-,14+
SMILES: CN1CC[C@@H]2[C@H](CC1)N(C3=C2C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C
InChI: InChI=1S/C21H26N2O3S/c1-22-12-10-18-19-14-17(8-9-20(19)23(2)21(18)11-13-22)27(24,25)16-6-4-15(26-3)5-7-16/h4-9,14,18,21H,10-13H2,1-3H3/t18-,21-/m0/s1
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)C
InChI: InChI=1S/C17H19NO5S/c1-7-8(2)24-15(11(7)17(22)23-3)18-14(19)12-9-4-5-10(6-9)13(12)16(20)21/h4-5,9-10,12-13H,6H2,1-3H3,(H,18,19)(H,20,21)/p-1/t9-,10+,12-,13+/m1/s1
SMILES: CC(=O)O[C@H]1CCC2[C@@]1(CCC3[C@H]2CCC4=C(C(=O)C(C[C@]34C)C#N)O)C
InChI: InChI=1S/C22H29NO4/c1-12(24)27-18-7-6-15-14-4-5-17-20(26)19(25)13(11-23)10-22(17,3)16(14)8-9-21(15,18)2/h13-16,18,26H,4-10H2,1-3H3/t13?,14-,15?,16?,18-,21-,22+/m0/s1
SMILES: CC1=C(SC(=N1)NC(=O)C[C@H]2CCC3[C@@]2(CCC4C3CCC5[C@@]4(C=CC(=O)N5C)C)C)C
InChI: InChI=1S/C26H37N3O2S/c1-15-16(2)32-24(27-15)28-22(30)14-17-6-8-19-18-7-9-21-26(4,13-11-23(31)29(21)5)20(18)10-12-25(17,19)3/h11,13,17-21H,6-10,12,14H2,1-5H3,(H,27,28,30)/t17-,18?,19?,20?,21?,25-,26-/m1/s1
SMILES: CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CCNC(=O)CCN6C(=O)C=CC6=O
InChI: InChI=1S/C27H29N3O7/c1-15(31)36-20-5-3-17-18-14-16-2-4-19(32)25-24(16)27(17,26(20)37-25)9-12-29(18)13-10-28-21(33)8-11-30-22(34)6-7-23(30)35/h2-7,17-18,20,26,32H,8-14H2,1H3,(H,28,33)/t17-,18+,20-,26-,27-/m0/s1
SMILES: C1CC1C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C17H22N2O4/c20-17(19-12-4-2-1-3-5-12)23-14-10-22-15-13(9-21-16(14)15)18-8-11-6-7-11/h1-5,11,13-16,18H,6-10H2,(H,19,20)/p+1/t13-,14+,15+,16+/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C1=C(N2[C@H](S1)[C@H](C2=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChI: InChI=1S/C15H24NO4SSi.3C4H9.Sn/c1-9(20-22(6,7)15(2,3)4)11-12(17)16-10(14(18)19-5)8-21-13(11)16;3*1-3-4-2;/h9,11,13H,1-7H3;3*1,3-4H2,2H3;/t9-,11+,13-;;;;/m1..../s1
SMILES: C[C@H]1[C@H](/C(=N\OC)/[C@@H]([C@@H](O1)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C22H27NO5/c1-16-20(26-14-17-10-6-4-7-11-17)19(23-25-3)21(22(24-2)28-16)27-15-18-12-8-5-9-13-18/h4-13,16,20-22H,14-15H2,1-3H3/b23-19+/t16-,20+,21-,22+/m0/s1
SMILES: CC1(CC(CC(N1)(C)C)NC(=O)[C@@H]2[C@@H](C3C4=CC=CC=C4C2C5=CC=CC=C35)C(=O)O)C
InChI: InChI=1S/C27H32N2O3/c1-26(2)13-15(14-27(3,4)29-26)28-24(30)22-20-16-9-5-7-11-18(16)21(23(22)25(31)32)19-12-8-6-10-17(19)20/h5-12,15,20-23,29H,13-14H2,1-4H3,(H,28,30)(H,31,32)/t20?,21?,22-,23+/m0/s1
SMILES: COC1=CC2=C(C[C@H]3[C@H]4[C@@]2(CCCC4)CCN3CCC5=CC(=C(C=C5)OC)OC)C=C1
InChI: InChI=1S/C27H35NO3/c1-29-21-9-8-20-17-24-22-6-4-5-12-27(22,23(20)18-21)13-15-28(24)14-11-19-7-10-25(30-2)26(16-19)31-3/h7-10,16,18,22,24H,4-6,11-15,17H2,1-3H3/t22-,24-,27+/m0/s1
SMILES: CCOC(C1=CN=NN1[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C)OCC
InChI: InChI=1S/C26H50N4O8SSi2/c1-13-33-23(34-14-2)18-15-28-29-30(18)22-21(37-41(11,12)25(6,7)8)26(19(27)17-39(31,32)38-26)20(36-22)16-35-40(9,10)24(3,4)5/h15,17,20-23H,13-14,16,27H2,1-12H3/t20-,21+,22-,26-/m1/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4N5CCOCC5
InChI: InChI=1S/C21H25N3O3/c25-21(23-17-13-14-5-6-16(17)22-14)20-8-7-19(27-20)15-3-1-2-4-18(15)24-9-11-26-12-10-24/h1-4,7-8,14,16-17,22H,5-6,9-13H2,(H,23,25)/t14-,16+,17-/m1/s1
SMILES: C1C[C@@H]([C@@H]2[C@H]1CC(=O)O2)/C=N/OCC3=CC=CC=C3
InChI: InChI=1S/C15H17NO3/c17-14-8-12-6-7-13(15(12)19-14)9-16-18-10-11-4-2-1-3-5-11/h1-5,9,12-13,15H,6-8,10H2/b16-9+/t12-,13-,15+/m1/s1
SMILES: CC1=CC=CC=C1O[C@H]2[C@H](N(C2=O)CCC3=CC=C(C=C3)F)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C26H24FNO4/c1-17-5-3-4-6-22(17)32-24-23(19-9-11-20(12-10-19)26(30)31-2)28(25(24)29)16-15-18-7-13-21(27)14-8-18/h3-14,23-24H,15-16H2,1-2H3/t23-,24+/m1/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)[C@@H]4CCCN4C(=O)C(F)(F)F)CSC5=CC=CC=C5OC
InChI: InChI=1S/C33H35F3N2O6S/c1-20-27(19-45-28-11-4-3-10-26(28)42-2)43-31(44-29(20)22-14-12-21(18-39)13-15-22)23-7-5-8-24(17-23)37-30(40)25-9-6-16-38(25)32(41)33(34,35)36/h3-5,7-8,10-15,17,20,25,27,29,31,39H,6,9,16,18-19H2,1-2H3,(H,37,40)/t20-,25+,27+,29+,31+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)N(C5=O)C)OC(=O)C)O)C)C
InChI: InChI=1S/C28H39NO7/c1-15(30)35-18-8-10-26(3)17(12-18)6-7-21-20(26)9-11-27(4)24(19-13-23(32)29(5)25(19)33)22(36-16(2)31)14-28(21,27)34/h13,17-18,20-22,24,34H,6-12,14H2,1-5H3/t17-,18+,20+,21-,22+,24+,26+,27-,28+/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3CC[C@@H](C[C@@H]3C2=O)C4=CC=CC=C4
InChI: InChI=1S/C21H21NO2/c1-14-6-5-9-17(12-14)22-20(23)18-11-10-16(13-19(18)21(22)24)15-7-3-2-4-8-15/h2-9,12,16,18-19H,10-11,13H2,1H3/t16-,18+,19-/m0/s1
SMILES: C1=CC=C(C=C1)C23[C@@H]4[C@H](C(=O)NC4=O)C(N2)([C@H]5[C@H]3C(=O)NC5=O)C6=CC=CC=C6
InChI: InChI=1S/C22H17N3O4/c26-17-13-15(19(28)23-17)22(12-9-5-2-6-10-12)16-14(18(27)24-20(16)29)21(13,25-22)11-7-3-1-4-8-11/h1-10,13-16,25H,(H,23,26,28)(H,24,27,29)/t13-,14+,15-,16+,21?,22?
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)N(C4=O)CCC(=O)O)Cl
InChI: InChI=1S/C25H22Br2Cl2N2O8/c1-30-22(37)24(28)8-12-9(3-4-10-15(12)21(36)31(20(10)35)6-5-14(32)33)16(25(24,29)23(30)38)11-7-13(39-2)19(34)18(27)17(11)26/h3,7,10,12,15-16,34H,4-6,8H2,1-2H3,(H,32,33)/t10-,12+,15-,16+,24+,25-/m0/s1
SMILES: CC(C)CN(C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C
InChI: InChI=1S/C24H40N2O2/c1-16(2)14-26(15-27)21-9-7-18-17-6-8-20-23(3,13-11-22(28)25(20)5)19(17)10-12-24(18,21)4/h15-21H,6-14H2,1-5H3/t17-,18-,19-,20+,21-,23+,24-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSCC2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C18H25NO3S/c1-12-4-3-5-15(13(12)2)19-18(20)10-23-9-14-6-7-16-17(8-14)22-11-21-16/h6-8,12-13,15H,3-5,9-11H2,1-2H3,(H,19,20)/t12-,13-,15+/m1/s1
SMILES: C[C@]1(CC[C@@H](O1)C(C)(C)O)[C@H]2CC[C@@]3(C2[C@@H](C[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)O)C
InChI: InChI=1S/C41H70O13/c1-36(2)24-10-15-39(6)25(17-21(43)28-20(9-14-40(28,39)7)41(8)16-12-27(54-41)37(3,4)49)38(24,5)13-11-26(36)52-35-33(29(45)22(44)19-50-35)53-34-32(48)31(47)30(46)23(18-42)51-34/h20-35,42-49H,9-19H2,1-8H3/t20-,21+,22+,23+,24?,25+,26-,27+,28?,29-,30+,31-,32+,33+,34-,35-,38-,39+,40+,41-/m0/s1
SMILES: CC(C)C(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CC=C(C)C
InChI: InChI=1S/C42H54N2O9/c1-25(2)13-12-21-40(11)30(16-14-26(3)4)24-41(22-20-28(7)8)37(53-38(47)32-19-17-31(43(49)50)23-34(32)44(51)52)33(18-15-27(5)6)36(46)42(40,39(41)48)35(45)29(9)10/h13-15,17,19-20,23,29-30H,12,16,18,21-22,24H2,1-11H3/t30-,40+,41+,42-/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O.Cl
InChI: InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5-,6-;/m1./s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C[C@@](C[C@@H]3[C@]2(CC[C@@]4(C3=CC[C@H]5[C@]4(CCC6[C@@]5(CC[C@@H]([C@]6(C)CO)O)C)C)C)C)(C)C(=O)O)O)O)O
InChI: InChI=1S/C36H58O9/c1-19-26(39)27(40)28(41)29(44-19)45-25-17-31(2,30(42)43)16-21-20-8-9-23-33(4)12-11-24(38)34(5,18-37)22(33)10-13-36(23,7)35(20,6)15-14-32(21,25)3/h8,19,21-29,37-41H,9-18H2,1-7H3,(H,42,43)/t19-,21-,22?,23+,24-,25+,26-,27+,28+,29-,31-,32+,33-,34+,35+,36+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C(=O)OC)C(=O)N(C3=O)C(=O)OC)Cl)O
InChI: InChI=1S/C25H23ClN2O10/c1-36-15-7-9(6-14(26)19(15)29)16-10-4-5-11-17(22(32)27(20(11)30)24(34)37-2)12(10)8-13-18(16)23(33)28(21(13)31)25(35)38-3/h4,6-7,11-13,16-18,29H,5,8H2,1-3H3/t11-,12+,13+,16-,17-,18+/m0/s1
SMILES: C=CC/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/p-1/b11-6-/t5-,7-,8+,9-,10+/m1/s1
SMILES: CCOC(=O)/C=C/C1=C(C2([C@H](O[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)N3C=C(C(=O)NC3=O)C)CO[Si](C)(C)C(C)(C)C)OS1(=O)=O)N
InChI: InChI=1S/C29H49N3O10SSi2/c1-13-38-21(33)15-14-19-22(30)29(42-43(19,36)37)20(17-39-44(9,10)27(3,4)5)40-25(23(29)41-45(11,12)28(6,7)8)32-16-18(2)24(34)31-26(32)35/h14-16,20,23,25H,13,17,30H2,1-12H3,(H,31,34,35)/b15-14+/t20-,23+,25-,29?/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC(=CC=C3)C(=O)OC
InChI: InChI=1S/C20H24N2O6/c1-13-6-3-4-9-20(13)18(25)22(19(26)21-20)11-16(23)28-12-14-7-5-8-15(10-14)17(24)27-2/h5,7-8,10,13H,3-4,6,9,11-12H2,1-2H3,(H,21,26)/t13-,20+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN3C(=CC(=NC3=N2)C)C
InChI: InChI=1S/C17H25N5OS/c1-10-6-5-7-14(13(10)4)19-15(23)9-24-17-20-16-18-11(2)8-12(3)22(16)21-17/h8,10,13-14H,5-7,9H2,1-4H3,(H,19,23)/t10-,13-,14-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CCI)O)OCC3=CC=CC=C3)O[C@@H]1CCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C41H59IO6Si2/c1-40(2,3)49(7,8)48-35-28-36-38(39(37(43)34(46-36)24-26-42)44-29-30-18-12-9-13-19-30)47-33(35)25-27-45-50(41(4,5)6,31-20-14-10-15-21-31)32-22-16-11-17-23-32/h9-23,33-39,43H,24-29H2,1-8H3/t33-,34+,35+,36-,37+,38-,39-/m1/s1
SMILES: COC1=C(C(=C2[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC2=C1)OC)OC
InChI: InChI=1S/C37H40O8/c1-38-29-19-28-23-44-37-35(31(28)34(40-3)32(29)39-2)45-30(24-41-20-25-13-7-4-8-14-25)33(42-21-26-15-9-5-10-16-26)36(37)43-22-27-17-11-6-12-18-27/h4-19,30,33,35-37H,20-24H2,1-3H3/t30-,33-,35-,36+,37-/m1/s1
SMILES: C1CN(C[C@H]1NC2=C3C(=NC=N2)N(C=N3)[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C22H25F3N6O3/c23-22(24,25)13-1-3-15(4-2-13)30-6-5-14(8-30)29-20-17-21(27-10-26-20)31(11-28-17)16-7-12(9-32)18(33)19(16)34/h1-4,10-12,14,16,18-19,32-34H,5-9H2,(H,26,27,29)/t12-,14+,16-,18-,19+/m1/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@]2([C@@H]([C@H](C(O2)O)OCOC)OCOC)COCC3=CC=CC=C3)CO)C
InChI: InChI=1S/C22H34O10/c1-21(2)30-16(10-23)18(31-21)22(12-27-11-15-8-6-5-7-9-15)19(29-14-26-4)17(20(24)32-22)28-13-25-3/h5-9,16-20,23-24H,10-14H2,1-4H3/t16-,17-,18+,19-,20?,22+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@]14[C@H](O4)[C@@H]([C@@H]2C5=COC(=O)C=C5)O)CC[C@H]6[C@@]3(CC[C@@H](C6)O)C=O
InChI: InChI=1S/C24H30O6/c1-22-8-7-16-17(4-3-14-10-15(26)6-9-23(14,16)12-25)24(22)21(30-24)20(28)19(22)13-2-5-18(27)29-11-13/h2,5,11-12,14-17,19-21,26,28H,3-4,6-10H2,1H3/t14-,15+,16+,17-,19+,20-,21-,22-,23-,24-/m1/s1
SMILES: C[C@@H](CCCC(C)(C)O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CCC[C@@H]2O)C)OC(=O)C
InChI: InChI=1S/C20H36O4/c1-13(8-6-10-19(3,4)23)18-17(24-14(2)21)12-15-16(22)9-7-11-20(15,18)5/h13,15-18,22-23H,6-12H2,1-5H3/t13-,15-,16-,17+,18-,20-/m0/s1
SMILES: COC(=O)CCCCCC[C@@H]1[C@H]([C@@H](CC1=O)O)C2=CC=C(C=C2)C(C3CCCCC3)O
InChI: InChI=1S/C26H38O5/c1-31-24(29)12-8-3-2-7-11-21-22(27)17-23(28)25(21)18-13-15-20(16-14-18)26(30)19-9-5-4-6-10-19/h13-16,19,21,23,25-26,28,30H,2-12,17H2,1H3/t21-,23+,25+,26?/m0/s1
SMILES: C[C@H]1C(=O)C=C2[C@@]13C[C@H]([C@@]4([C@]2(COC4=O)C)O)NC(=O)[C@H]3O
InChI: InChI=1S/C15H17NO6/c1-6-7(17)3-8-13(2)5-22-12(20)15(13,21)9-4-14(6,8)10(18)11(19)16-9/h3,6,9-10,18,21H,4-5H2,1-2H3,(H,16,19)/t6-,9+,10+,13-,14+,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)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)C(=O)C)O
InChI: InChI=1S/C41H31Cl2F3N4O6/c1-19-4-3-5-28(34(19)52)33-26-14-15-27-32(38(55)49(36(27)53)25-12-6-21(7-13-25)20(2)51)29(26)17-30-37(54)50(39(56)40(30,33)22-8-10-24(42)11-9-22)48-35-31(43)16-23(18-47-35)41(44,45)46/h3-14,16,18,27,29-30,32-33,52H,15,17H2,1-2H3,(H,47,48)/t27-,29+,30-,32-,33+,40+/m0/s1
SMILES: CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C4=CC=C(C=C4)C)O2
InChI: InChI=1S/C19H21NO4/c1-3-10-23-18(22)15-14-8-9-19(24-14)11-20(17(21)16(15)19)13-6-4-12(2)5-7-13/h4-9,14-16H,3,10-11H2,1-2H3/t14-,15+,16+,19-/m1/s1
SMILES: C1C[C@@H]2CCN([C@@H]2C1)[C@H](C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI: InChI=1S/C27H29NO/c29-27(23-14-6-2-7-15-23,24-16-8-3-9-17-24)26(22-11-4-1-5-12-22)28-20-19-21-13-10-18-25(21)28/h1-9,11-12,14-17,21,25-26,29H,10,13,18-20H2/t21-,25-,26-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C38H39NO11/c1-26(40)45-25-33-34(46-21-27-12-6-3-7-13-27)35(47-22-28-14-8-4-9-15-28)36(48-23-29-16-10-5-11-17-29)38(50-33)49-24-31-19-18-30(37(41)44-2)20-32(31)39(42)43/h3-20,33-36,38H,21-25H2,1-2H3/t33-,34-,35+,36+,38+/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC[C@@H](C8=CC=CC=C8)O
InChI: InChI=1S/C53H49N3O13/c1-65-28-29-68-52(64)55-40-27-22-32(14-13-21-38(48(60)66-2)49(61)67-3)30-39(40)53(51(55)63)42(47(59)54-31-41(58)33-15-7-4-8-16-33)44-50(62)69-45(35-19-11-6-12-20-35)43(34-17-9-5-10-18-34)56(44)46(53)36-23-25-37(57)26-24-36/h4-12,15-20,22-27,30,38,41-46,57-58H,21,28-29,31H2,1-3H3,(H,54,59)/t41-,42+,43+,44+,45-,46-,53+/m0/s1
SMILES: CCOP(=O)(CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1[N+]2=CC=CC(=C2)C(=O)N)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC.[Cl-]
InChI: InChI=1S/C31H33N2O11P.ClH/c1-3-40-45(38,41-4-2)20-25(34)43-27-26(44-31(37)22-14-9-6-10-15-22)24(19-39-30(36)21-12-7-5-8-13-21)42-29(27)33-17-11-16-23(18-33)28(32)35;/h5-18,24,26-27,29H,3-4,19-20H2,1-2H3,(H-,32,35);1H/t24-,26-,27-,29-;/m1./s1
SMILES: C1=C(C(=O)NC(=O)N1[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O)F
InChI: InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6+,8-/m0/s1
SMILES: CCCCCCCCCCCCCCCCC1=C[C@H]([C@@H]2[C@H]([C@@H]1C(=O)OC)C(=C(C2=O)C(=O)OC)CCCCCCCCCCCCCCCC)C(=O)OCC
InChI: InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41-,42+,43-/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)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CCNC(=O)CCC(=O)O)O
InChI: InChI=1S/C49H65N5O18/c1-21(2)15-28(52-34(58)13-14-50-33(57)11-12-35(59)60)47(67)51-23(5)46(66)54-29(16-22(3)4)48(68)53-27-17-36(71-24(6)41(27)61)72-31-19-49(69,32(56)20-55)18-26-38(31)45(65)40-39(43(26)63)42(62)25-9-8-10-30(70-7)37(25)44(40)64/h8-10,21-24,27-29,31,36,41,55,61,63,65,69H,11-20H2,1-7H3,(H,50,57)(H,51,67)(H,52,58)(H,53,68)(H,54,66)(H,59,60)/t23?,24-,27-,28?,29?,31-,36-,41+,49-/m0/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)NS(=O)(=O)C4=CC=CC=C4)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7
InChI: InChI=1S/C38H42N4O6S/c1-27-34(24-41-22-20-38(21-23-41)37(44)39-26-42(38)32-8-4-2-5-9-32)47-36(48-35(27)29-14-12-28(25-43)13-15-29)30-16-18-31(19-17-30)40-49(45,46)33-10-6-3-7-11-33/h2-19,27,34-36,40,43H,20-26H2,1H3,(H,39,44)/t27-,34+,35+,36+/m1/s1
SMILES: CCCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)C3=CC=CC=C3
InChI: InChI=1S/C15H18N2O3S2/c1-2-6-14(18)16-15-17(11-7-4-3-5-8-11)12-9-22(19,20)10-13(12)21-15/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t12-,13-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H](C=CC3=CC4=C(C=C23)OCO4)C(=O)O
InChI: InChI=1S/C21H20O7/c1-24-17-7-12(8-18(25-2)20(17)26-3)19-13(21(22)23)5-4-11-6-15-16(9-14(11)19)28-10-27-15/h4-9,13,19H,10H2,1-3H3,(H,22,23)/t13-,19-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C3=CCCC[C@@H]3[C@H](O2)C4=CC=CC=C4OCC(=O)[O-]
InChI: InChI=1S/C21H26O4/c22-20(23)13-24-18-11-5-4-10-17(18)21-16-9-2-1-7-14(16)15-8-3-6-12-19(15)25-21/h4-5,7,10-11,15-16,19,21H,1-3,6,8-9,12-13H2,(H,22,23)/p-1/t15-,16-,19-,21-/m0/s1
SMILES: C1CCN(CC1)C(=O)[C@H]2CC=CC[C@@H]2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI: InChI=1S/C19H25N3O4S/c20-27(25,26)15-10-8-14(9-11-15)21-18(23)16-6-2-3-7-17(16)19(24)22-12-4-1-5-13-22/h2-3,8-11,16-17H,1,4-7,12-13H2,(H,21,23)(H2,20,25,26)/t16-,17-/m0/s1
SMILES: CCOP(=O)(CCCOC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O
InChI: InChI=1S/C14H23N2O9P/c1-2-24-26(21,22)7-3-6-23-8-9-11(18)12(19)13(25-9)16-5-4-10(17)15-14(16)20/h4-5,9,11-13,18-19H,2-3,6-8H2,1H3,(H,21,22)(H,15,17,20)/t9-,11-,12-,13-/m1/s1