EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@@H](C)[C@@H](N)S(=O)N(C)[C@H]1CC[C@@]2(C3CC[C@]45CN([C@H]([C@H]4CC[C@H]5[C@@H]3CC=C2C1)C)C)C
InChI: InChI=1S/C28H49N3OS/c1-7-18(2)26(29)33(32)31(6)21-12-14-27(4)20(16-21)8-9-22-24(27)13-15-28-17-30(5)19(3)23(28)10-11-25(22)28/h8,18-19,21-26H,7,9-17,29H2,1-6H3/t18-,19+,21+,22-,23-,24?,25+,26+,27+,28+,33?/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C23H28N2O2/c26-22(14-19-10-5-9-18-7-3-4-11-21(18)19)24-15-23(27)25-13-12-17-6-1-2-8-20(17)16-25/h3-5,7,9-11,17,20H,1-2,6,8,12-16H2,(H,24,26)/t17-,20+/m1/s1
SMILES: C[C@@H]1[C@@H](N[C@@H]([C@H](C1(CC=C)O)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H25Cl2NO/c1-4-13-22(26)14(2)20(16-5-9-18(23)10-6-16)25-21(15(22)3)17-7-11-19(24)12-8-17/h4-12,14-15,20-21,25-26H,1,13H2,2-3H3/t14-,15-,20-,21+,22?/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]2C[C@@H]([C@@H]1C(=O)N3C(=C4[C@@H](CC[C@H](C4=N3)C(C)C)C)C5=CC=CC=C5)C=C2
InChI: InChI=1S/C28H34N2O3/c1-5-33-28(32)24-20-13-12-19(15-20)23(24)27(31)30-26(18-9-7-6-8-10-18)22-17(4)11-14-21(16(2)3)25(22)29-30/h6-10,12-13,16-17,19-21,23-24H,5,11,14-15H2,1-4H3/t17-,19+,20-,21+,23+,24+/m1/s1
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@H]4[C@H]3C(=O)N(C4=O)C5=CC=C(C=C5)C(=O)O
InChI: InChI=1S/C18H15NO4/c20-15-13-11-5-6-12(18(11)7-8-18)14(13)16(21)19(15)10-3-1-9(2-4-10)17(22)23/h1-6,11-14H,7-8H2,(H,22,23)/t11-,12+,13-,14-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2CC3=CC=C(C=C3)C(=O)N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H31NO11/c1-15(30)35-14-23-24(36-16(2)31)25(37-17(3)32)26(38-18(4)33)28(40-23)39-22-8-6-5-7-21(22)13-19-9-11-20(12-10-19)27(29)34/h5-12,23-26,28H,13-14H2,1-4H3,(H2,29,34)/t23-,24-,25+,26-,28-/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)N(C)C)OCC3=CC=CC=C3)NC(=O)OC4CCCC4
InChI: InChI=1S/C32H47N5O8S/c1-7-22-18-32(22,29(40)35-46(42,43)36(5)6)34-27(38)25-17-24(44-20-21-13-9-8-10-14-21)19-37(25)28(39)26(31(2,3)4)33-30(41)45-23-15-11-12-16-23/h7-10,13-14,22-26H,1,11-12,15-20H2,2-6H3,(H,33,41)(H,34,38)(H,35,40)/t22-,24-,25-,26-,32-/m1/s1
SMILES: CC[C@H]1C[C@H]([C@@H]2[C@H]3[C@@H](CN2C1=O)OC(O3)(C)C)O
InChI: InChI=1S/C13H21NO4/c1-4-7-5-8(15)10-11-9(6-14(10)12(7)16)17-13(2,3)18-11/h7-11,15H,4-6H2,1-3H3/t7-,8+,9+,10+,11+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](O[C@@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC(=O)C)OC)C
InChI: InChI=1S/C22H24O6/c1-12-13(2)22(16-5-7-17-20(10-16)26-11-25-17)28-21(12)15-6-8-18(27-14(3)23)19(9-15)24-4/h5-10,12-13,21-22H,11H2,1-4H3/t12-,13-,21-,22-/m0/s1
SMILES: C=CC[C@@H]1[C@@H]([C@H]([C@@H]([C@](N1CC2=CC=CC=C2)(C(=O)OCC3=CC=CC=C3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C44H45NO6/c1-2-18-39-40(48-30-35-21-10-4-11-22-35)41(49-31-36-23-12-5-13-24-36)42(50-32-37-25-14-6-15-26-37)44(47,45(39)29-34-19-8-3-9-20-34)43(46)51-33-38-27-16-7-17-28-38/h2-17,19-28,39-42,47H,1,18,29-33H2/t39-,40+,41-,42+,44-/m1/s1
SMILES: C[C@H]1[C@@H](O[C@@](O1)(C)C(=O)O)/C=C/C=C/C=C/C(=O)OC2CC[C@@H](O[C@@H]2C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)[C@@H]([C@@](C6)(C)O)O)O)O)O
InChI: InChI=1S/C38H40O15/c1-18-23(51-26(39)10-8-6-5-7-9-24-19(2)52-36(4,53-24)34(45)46)13-14-25(50-18)20-11-12-21-27(29(20)40)30(41)22-15-16-37(48)17-35(3,47)32(43)33(44)38(37,49)28(22)31(21)42/h5-12,15-16,18-19,23-25,32,40,43,47-49H,13-14,17H2,1-4H3,(H,45,46)/b6-5+,9-7+,10-8+/t18-,19+,23?,24+,25-,32+,35+,36+,37+,38-/m1/s1
SMILES: CC(=C)[C@]1(CC[C@@]1(CCC=C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H48O2Si2/c1-14-15-16-23(19-25-27(10,11)21(4,5)6)17-18-24(23,20(2)3)26-28(12,13)22(7,8)9/h14H,1-2,15-19H2,3-13H3/t23-,24-/m0/s1
SMILES: CCCO[C@H]1[C@@H](C/C(=C/C=C/2\C=CC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O
InChI: InChI=1S/C30H48O4/c1-7-18-34-28-26(31)19-23(21(3)27(28)32)13-12-22-11-9-17-30(6)24(14-15-25(22)30)20(2)10-8-16-29(4,5)33/h9,11-13,20,24-28,31-33H,3,7-8,10,14-19H2,1-2,4-6H3/b22-12+,23-13-/t20-,24-,25+,26-,27-,28+,30-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)NC(=S)NCCCNC(=O)OC(C)(C)C)C)O)OC(=O)NC5=CC=CC=C5)C
InChI: InChI=1S/C41H64N4O7S/c1-25(14-17-34(47)50-7)29-15-16-30-35-31(24-33(41(29,30)6)51-38(49)45-27-12-9-8-10-13-27)40(5)19-18-28(22-26(40)23-32(35)46)44-36(53)42-20-11-21-43-37(48)52-39(2,3)4/h8-10,12-13,25-26,28-33,35,46H,11,14-24H2,1-7H3,(H,43,48)(H,45,49)(H2,42,44,53)/t25-,26+,28-,29-,30+,31+,32-,33+,35+,40+,41-/m1/s1
SMILES: CCN(CC)C(=O)[C@@H]([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChI: InChI=1S/C12H23NO7/c1-3-13(4-2)12(19)10(18)11-9(17)8(16)7(15)6(5-14)20-11/h6-11,14-18H,3-5H2,1-2H3/t6-,7-,8+,9+,10-,11-/m1/s1
SMILES: C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O)(C)C)O
InChI: InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22-,23-,26+,27-,28+,29-,30+/m0/s1
SMILES: CC1=C2[C@@H]3[C@@H]([C@@]4(CC=CC[C@H]4C(=O)[C@H](C2(C)C)CC1)C)OC(O3)(C)C
InChI: InChI=1S/C22H32O3/c1-13-10-11-14-17(23)15-9-7-8-12-22(15,6)19-18(16(13)20(14,2)3)24-21(4,5)25-19/h7-8,14-15,18-19H,9-12H2,1-6H3/t14-,15+,18-,19+,22-/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=CC=CC=C23)C4=CC=C(C=C4)N
InChI: InChI=1S/C18H18N2/c19-13-10-8-12(9-11-13)18-16-6-3-5-14(16)15-4-1-2-7-17(15)20-18/h1-5,7-11,14,16,18,20H,6,19H2/t14-,16+,18-/m0/s1
SMILES: CCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)CCCCCCC)O)O)CO
InChI: InChI=1S/C28H50O13/c1-3-5-7-9-11-13-19(31)39-25-17(15-29)37-27(23(35)21(25)33)41-28-24(36)22(34)26(18(16-30)38-28)40-20(32)14-12-10-8-6-4-2/h17-18,21-30,33-36H,3-16H2,1-2H3/t17-,18-,21-,22-,23-,24-,25-,26-,27-,28-/m1/s1
SMILES: CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C19H33FO15/c1-30-18-15(29)16(35-19-14(28)13(27)10(24)6(3-22)33-19)11(25)7(34-18)4-31-17-8(20)12(26)9(23)5(2-21)32-17/h5-19,21-29H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-,11-,12-,13+,14+,15+,16+,17+,18-,19-/m1/s1
SMILES: CC1=CC=C(C=C1)OCCOC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H23NO5/c1-13-7-9-15(10-8-13)25-11-12-26-20(24)14(2)21-18(22)16-5-3-4-6-17(16)19(21)23/h3-4,7-10,14,16-17H,5-6,11-12H2,1-2H3/t14-,16-,17+/m0/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)CC[C@@]43C)F)O)C)O
InChI: InChI=1S/C21H29FO4/c1-12(23)20(26)9-7-15-16-5-4-13-10-14(24)6-8-18(13,2)21(16,22)17(25)11-19(15,20)3/h10,15-17,25-26H,4-9,11H2,1-3H3/t15-,16?,17-,18-,19-,20-,21-/m0/s1
SMILES: CC(C)[C@H]1[C@H]2[C@H](C(=O)N(C2=O)C[C@H]3CCCO3)[C@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C21H25N3O4/c1-11(2)17-15-16(19(26)24(18(15)25)10-12-6-5-9-28-12)21(23-17)13-7-3-4-8-14(13)22-20(21)27/h3-4,7-8,11-12,15-17,23H,5-6,9-10H2,1-2H3,(H,22,27)/p+1/t12-,15-,16-,17+,21-/m1/s1
SMILES: CNC(=O)C1=CC=CC=C1SC[C@@H]2[C@H]([C@H](C(O2)N3C=NC4=C(N=CN=C43)N[C@@H]5CCOC5)O)O
InChI: InChI=1S/C22H26N6O5S/c1-23-21(31)13-4-2-3-5-15(13)34-9-14-17(29)18(30)22(33-14)28-11-26-16-19(24-10-25-20(16)28)27-12-6-7-32-8-12/h2-5,10-12,14,17-18,22,29-30H,6-9H2,1H3,(H,23,31)(H,24,25,27)/t12-,14-,17-,18-,22?/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC2=C3CSCC3=NN2C4=CC=CC=C4C
InChI: InChI=1S/C21H26N4O2S/c1-13-7-3-5-9-16(13)22-20(26)21(27)23-19-15-11-28-12-17(15)24-25(19)18-10-6-4-8-14(18)2/h4,6,8,10,13,16H,3,5,7,9,11-12H2,1-2H3,(H,22,26)(H,23,27)/t13-,16-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC(=O)C)CO)O)OC(=O)C
InChI: InChI=1S/C12H19NO8/c1-5(15)13-9-11(19-6(2)16)10(18)8(4-14)21-12(9)20-7(3)17/h8-12,14,18H,4H2,1-3H3,(H,13,15)/t8-,9-,10+,11-,12+/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N
InChI: InChI=1S/C21H24N4O5/c1-14-4-2-3-10-21(14)19(28)25(20(29)24-21)12-18(27)30-13-17(26)23-16-7-5-15(6-8-16)9-11-22/h5-8,14H,2-4,9-10,12-13H2,1H3,(H,23,26)(H,24,29)/t14-,21+/m1/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@]1(C[C@@H]([C@@]3([C@@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O
InChI: InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18+,20+,21+,22+,23-/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC[C@]3(CC[C@H](OO3)[C@H](C)C(=O)OC)C)CCC=C2C)C
InChI: InChI=1S/C25H42O4/c1-17-9-8-10-21-24(17,5)14-11-18(2)25(21,6)16-15-23(4)13-12-20(28-29-23)19(3)22(26)27-7/h9,18-21H,8,10-16H2,1-7H3/t18-,19+,20+,21+,23-,24+,25+/m1/s1
SMILES: CCC[C@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)CC)C(=O)OC
InChI: InChI=1S/C19H24N2O5/c1-4-10-19(18(25)26-3)14-13(16(23)21(5-2)17(14)24)15(20-19)11-6-8-12(22)9-7-11/h6-9,13-15,20,22H,4-5,10H2,1-3H3/t13-,14-,15-,19-/m0/s1
SMILES: CCN1C(=NC2=C1C=CC(=C2)C(=O)N/N=C\3/C[C@H]4[C@H]3CC=C4)C
InChI: InChI=1S/C18H20N4O/c1-3-22-11(2)19-16-10-13(7-8-17(16)22)18(23)21-20-15-9-12-5-4-6-14(12)15/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3,(H,21,23)/b20-15-/t12-,14+/m0/s1
SMILES: CCCN(CCC)CCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI: InChI=1S/C20H37NO6/c1-7-9-21(10-8-2)11-12-22-16-15(14-13-23-19(3,4)25-14)24-18-17(16)26-20(5,6)27-18/h14-18H,7-13H2,1-6H3/t14-,15-,16+,17?,18?/m1/s1
SMILES: CC1=CC(=CC2=C1NC(=O)[C@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5Cl)Cl
InChI: InChI=1S/C24H22Cl2N4O4/c1-11-8-13(25)9-14-20(11)28-23(34)24(14)19-18(16(29-24)6-7-17(27)31)21(32)30(22(19)33)10-12-4-2-3-5-15(12)26/h2-5,8-9,16,18-19,29H,6-7,10H2,1H3,(H2,27,31)(H,28,34)/p+1/t16-,18+,19-,24+/m0/s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]([NH+]4[C@@H]3C5=CC=CC=C5C=C4)C(=O)N)C
InChI: InChI=1S/C23H21N3O3/c1-12-9-13(2)11-15(10-12)26-22(28)17-18(23(26)29)20(21(24)27)25-8-7-14-5-3-4-6-16(14)19(17)25/h3-11,17-20H,1-2H3,(H2,24,27)/p+1/t17-,18+,19-,20-/m1/s1
SMILES: C1CCCN(CCC1)C(=O)[C@H]2[C@@H]3C(=O)O[C@H]([C@H](N3[C@H]([C@@]24C5=C(C=CC(=C5)C#CC6(CCCCCC6)O)NC4=O)C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C51H55N3O7/c55-32-33-60-39-23-21-38(22-24-39)46-51(40-34-35(20-25-41(40)52-49(51)58)26-29-50(59)27-12-2-3-13-28-50)42(47(56)53-30-14-4-1-5-15-31-53)44-48(57)61-45(37-18-10-7-11-19-37)43(54(44)46)36-16-8-6-9-17-36/h6-11,16-25,34,42-46,55,59H,1-5,12-15,27-28,30-33H2,(H,52,58)/t42-,43-,44-,45+,46+,51-/m1/s1
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CO
InChI: InChI=1S/C16H19ClN2O/c1-19-7-9(8-20)5-11-10-3-2-4-13-15(10)12(6-14(11)19)16(17)18-13/h2-4,9,11,14,18,20H,5-8H2,1H3/t9-,11-,14-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)CC7=CC=CC=C7)C)C(=C3)C(=O)C8=CC9=CC=CC=C9S8)O
InChI: InChI=1S/C39H41NO4S/c1-35-15-12-27(41)21-37(35)18-19-39(28(22-37)33(42)30-20-26-10-6-7-11-29(26)45-30)31(35)13-16-36(2)32(39)14-17-38(36)24-40(34(43)44-38)23-25-8-4-3-5-9-25/h3-11,18-20,22,27,31-32,41H,12-17,21,23-24H2,1-2H3/t27-,31+,32+,35+,36-,37-,38+,39-/m0/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@@H]1[C@@H]([C@@H](O[C@@H](O1)C2=CC=CC(=C2)C3=CC=CC(=C3)CNC(=O)NCC)C4=CC=C(C=C4)CO)C
InChI: InChI=1S/C45H67N3O4/c1-5-8-10-12-14-16-28-48(29-17-15-13-11-9-6-2)33-42-35(4)43(38-26-24-36(34-49)25-27-38)52-44(51-42)41-23-19-22-40(31-41)39-21-18-20-37(30-39)32-47-45(50)46-7-3/h18-27,30-31,35,42-44,49H,5-17,28-29,32-34H2,1-4H3,(H2,46,47,50)/t35-,42+,43+,44+/m0/s1
SMILES: C1CC[C@@]23[C@@H](C1)[C@H](C=C(N2CCO3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H25NO/c1-3-9-18(10-4-1)20-17-22(19-11-5-2-6-12-19)24-15-16-25-23(24)14-8-7-13-21(20)23/h1-6,9-12,17,20-21H,7-8,13-16H2/t20-,21+,23-/m1/s1
SMILES: C[C@@H]1CC[C@H](N([C@H]1/C=C/C(=O)OC)C(=O)OC)CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H37NO5Si/c1-15-9-10-16(13-14-26-27(7,8)20(2,3)4)21(19(23)25-6)17(15)11-12-18(22)24-5/h11-12,15-17H,9-10,13-14H2,1-8H3/b12-11+/t15-,16+,17+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3=NC4=C(S3)SC=C4CO)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C16H16N2O5S3/c1-5-10-8(6(2)20)13(21)18(10)11(14(22)23)12(5)25-16-17-9-7(3-19)4-24-15(9)26-16/h4-6,8,10,19-20H,3H2,1-2H3,(H,22,23)/t5-,6-,8-,10-/m1/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC=C(C6=CC=CC=C56)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl
InChI: InChI=1S/C35H27ClN4O5/c1-37-33(44)38-17-16-26-28(40(38)34(37)45)19-27-31(42)39(22-11-7-10-21(36)18-22)32(43)35(27,20-8-3-2-4-9-20)30(26)25-14-15-29(41)24-13-6-5-12-23(24)25/h2-16,18,27-28,30,41H,17,19H2,1H3/t27-,28+,30-,35+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4CC2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5CN(C[C@H](O5)C)CC(=C)Cl
InChI: InChI=1S/C28H40ClNO5/c1-16(2)23-8-20-9-26(14-31)22-7-6-17(3)21(22)10-27(20,28(23,26)25(32)33)15-34-24-13-30(11-18(4)29)12-19(5)35-24/h8,14,16-17,19-22,24H,4,6-7,9-13,15H2,1-3,5H3,(H,32,33)/t17-,19-,20?,21-,22-,24-,26?,27?,28+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C4=C(NC(=O)S4)S[C@H]3C2=O)C5=CC=CC=C5
InChI: InChI=1S/C21H16N2O3S2/c1-11-7-9-13(10-8-11)23-19(24)15-14(12-5-3-2-4-6-12)16-18(22-21(26)28-16)27-17(15)20(23)25/h2-10,14-15,17H,1H3,(H,22,26)/t14-,15-,17-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C1=O)C=C3
InChI: InChI=1S/C15H19NO4/c1-7(2)5-10(15(19)20)16-13(17)11-8-3-4-9(6-8)12(11)14(16)18/h3-4,7-12H,5-6H2,1-2H3,(H,19,20)/t8-,9+,10-,11-,12-/m0/s1
SMILES: C[C@H]1[C@H](O[C@](CC1C)([C@@H](C(=O)N[C@@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](CCC/C=C/CCC(=O)OC)OC)(C)C)OC)OCO2)O)OC)C
InChI: InChI=1S/C33H57NO11/c1-20-18-33(41-9,45-22(3)21(20)2)28(36)30(37)34-31-27-26(42-19-43-31)29(40-8)32(4,5)24(44-27)17-23(38-6)15-13-11-10-12-14-16-25(35)39-7/h10,12,20-24,26-29,31,36H,11,13-19H2,1-9H3,(H,34,37)/b12-10+/t20?,21-,22-,23-,24-,26+,27+,28-,29-,31+,33-/m1/s1
SMILES: CCN(CC)CC.CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)O)O
InChI: InChI=1S/C20H28N3O10PS.C6H15N/c1-11(24)22-17-19(26)18(25)15(32-20(17)33-34(27,28)29)10-21-35(30,31)16-9-5-6-12-13(16)7-4-8-14(12)23(2)3;1-4-7(5-2)6-3/h4-9,15,17-21,25-26H,10H2,1-3H3,(H,22,24)(H2,27,28,29);4-6H2,1-3H3/t15-,17-,18-,19-,20-;/m1./s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=CC=C3C)C)C(=O)OC
InChI: InChI=1S/C26H27N3O5S/c1-5-34-18-11-9-17(10-12-18)21-19(13-27)25(29-24(31)22(21)26(32)33-4)35-14-20(30)28-23-15(2)7-6-8-16(23)3/h6-12,21-22H,5,14H2,1-4H3,(H,28,30)(H,29,31)/t21-,22+/m0/s1
SMILES: CC(C)C1=NN=C2N1N[C@H]([C@H](S2)C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OC
InChI: InChI=1S/C21H21FN4O2S/c1-12(2)20-23-24-21-26(20)25-17(13-6-10-16(28-3)11-7-13)19(29-21)18(27)14-4-8-15(22)9-5-14/h4-12,17,19,25H,1-3H3/t17-,19-/m0/s1
SMILES: COC1=C(C=C(C(=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)Br)OCC#N
InChI: InChI=1S/C22H21BrN4O3S/c1-13-19(21(28)25-12-14-6-4-3-5-7-14)20(27-22(31)26-13)15-10-17(29-2)18(11-16(15)23)30-9-8-24/h3-7,10-11,19-20H,1,9,12H2,2H3,(H,25,28)(H2,26,27,31)/t19-,20+/m0/s1
SMILES: C[C@@H]1CCC2[C@H]([C@@H](O[C@H]3[C@@]24C1CC[C@@](O3)(OO4)C)OC5=CC(=CC=C5)OC(C)C(=O)OC6=CC=CC=C6OC)C
InChI: InChI=1S/C31H38O9/c1-18-13-14-24-19(2)28(37-29-31(24)23(18)15-16-30(4,38-29)39-40-31)35-22-10-8-9-21(17-22)34-20(3)27(32)36-26-12-7-6-11-25(26)33-5/h6-12,17-20,23-24,28-29H,13-16H2,1-5H3/t18-,19-,20?,23?,24?,28-,29-,30+,31-/m1/s1
SMILES: C1[C@H]([C@@H](C(=O)N1)C(=O)N/N=C/C=C/C2=CC=C(C=C2)Br)C3=CC=CC=C3
InChI: InChI=1S/C20H18BrN3O2/c21-16-10-8-14(9-11-16)5-4-12-23-24-20(26)18-17(13-22-19(18)25)15-6-2-1-3-7-15/h1-12,17-18H,13H2,(H,22,25)(H,24,26)/b5-4+,23-12+/t17-,18-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](N2C(=NC(=N2)C(F)(F)F)NC1=O)C3=CC=CC=C3
InChI: InChI=1S/C15H13F3N4O3/c1-2-25-12(24)9-10(8-6-4-3-5-7-8)22-14(19-11(9)23)20-13(21-22)15(16,17)18/h3-7,9-10H,2H2,1H3,(H,19,20,21,23)/t9-,10+/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@H]1C[C@@H]2[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl
InChI: InChI=1S/C7H10Cl6Si2/c8-14(9,10)6-2-4-1-5(6)3-7(4)15(11,12)13/h4-7H,1-3H2/t4-,5-,6+,7+/m1/s1
SMILES: COC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)OS(=O)(=O)O
InChI: InChI=1S/C7H12O10S/c1-15-7-5(17-18(12,13)14)3(9)2(8)4(16-7)6(10)11/h2-5,7-9H,1H3,(H,10,11)(H,12,13,14)/t2-,3-,4-,5+,7?/m0/s1
SMILES: CC(C)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)O[C@@H]2CC[C@]3(CO3)[C@H]([C@@H]2OC)[C@]4([C@H](O4)CC=C(C)C)C
InChI: InChI=1S/C32H50N4O10/c1-18(2)9-10-23-31(5,46-23)27-26(43-6)22(11-12-32(27)17-44-32)45-30(42)34-15-24(37)36-13-7-8-21(36)29(41)35-20(14-19(3)4)28(40)33-16-25(38)39/h9,19-23,26-27H,7-8,10-17H2,1-6H3,(H,33,40)(H,34,42)(H,35,41)(H,38,39)/t20-,21-,22+,23+,26+,27+,31+,32-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CC3=CC=C(C=C3)OC)[C@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C22H21N3O4/c1-12-17-18(22(24-12)15-5-3-4-6-16(15)23-21(22)28)20(27)25(19(17)26)11-13-7-9-14(29-2)10-8-13/h3-10,12,17-18,24H,11H2,1-2H3,(H,23,28)/t12-,17-,18+,22-/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OC)SC1)C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C
InChI: InChI=1S/C20H28N2O7S/c1-11(23)28-9-12-10-30-18-15(27-5)17(25)22(18)14(12)16(24)21-8-6-7-13(21)19(26)29-20(2,3)4/h13,15,18H,6-10H2,1-5H3/t13-,15-,18+/m0/s1
SMILES: CCC1=NOC(=C1)C2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)NC(CC5=CC=CC=C5)CO)NCCC6CCCCC6)O)O
InChI: InChI=1S/C31H41N7O5/c1-2-21-16-23(43-37-21)27-25(40)26(41)30(42-27)38-18-33-24-28(32-14-13-19-9-5-3-6-10-19)35-31(36-29(24)38)34-22(17-39)15-20-11-7-4-8-12-20/h4,7-8,11-12,16,18-19,22,25-27,30,39-41H,2-3,5-6,9-10,13-15,17H2,1H3,(H2,32,34,35,36)/t22?,25-,26+,27?,30+/m0/s1
SMILES: CC(C)[NH+]1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)F
InChI: InChI=1S/C21H20FN5/c1-13(2)27-8-7-16-17(9-23)20(26)21(11-24,12-25)19(18(16)10-27)14-3-5-15(22)6-4-14/h3-7,13,17-19,26H,8,10H2,1-2H3/p+1/t17?,18-,19-/m0/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26?/m1/s1
SMILES: C[C@H](CI)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C19H37IOSi/c1-14(13-20)15-10-11-16-17(9-8-12-19(15,16)5)21-22(6,7)18(2,3)4/h14-17H,8-13H2,1-7H3/t14-,15-,16+,17+,19-/m1/s1
SMILES: CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)N2CCC[C@H]3[C@H]2CCCC3
InChI: InChI=1S/C23H28N2O4/c1-2-28-20-11-9-17(10-12-20)14-19(15-24)23(27)29-16-22(26)25-13-5-7-18-6-3-4-8-21(18)25/h9-12,14,18,21H,2-8,13,16H2,1H3/b19-14+/t18-,21+/m0/s1
SMILES: CN1C(=O)[C@H]2[C@@H](N(O[C@H]2C1=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C18H15ClN2O3/c1-20-17(22)14-15(11-5-3-2-4-6-11)21(24-16(14)18(20)23)13-9-7-12(19)8-10-13/h2-10,14-16H,1H3/t14-,15-,16+/m0/s1
SMILES: C1=C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)NCC3=CC=C(C=C3)Cl)C(=O)[O-]
InChI: InChI=1S/C15H14ClNO4/c16-9-3-1-8(2-4-9)7-17-14(18)12-10-5-6-11(21-10)13(12)15(19)20/h1-6,10-13H,7H2,(H,17,18)(H,19,20)/p-1/t10-,11+,12-,13+/m1/s1
SMILES: CC[C@@]1(CC[C@@H](O1)[C@]2(CC[C@@]3(O2)C/C(=N\O)/[C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)OC)OC)C)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(COC(=O)C)OC)C)C)C
InChI: InChI=1S/C40H67NO12/c1-13-38(35-23(3)19-30(49-35)32-22(2)18-24(4)40(47-12,52-32)21-48-28(8)42)15-14-31(50-38)37(9)16-17-39(53-37)20-29(41-44)25(5)34(51-39)26(6)33(45-10)27(7)36(43)46-11/h22-27,30-35,44H,13-21H2,1-12H3/b41-29+/t22-,23-,24+,25+,26-,27-,30+,31+,32-,33+,34-,35+,37+,38+,39+,40-/m0/s1
SMILES: C[C@H]1CC[C@]2([C@@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CCC=C6)C)C)C)[NH2+]C1
InChI: InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/p+1/t17-,18+,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
SMILES: CCC1=C(C(=CC=C1)CC)N[C@H]2CC3=C(C[C@@H]2O)C=CC4=C3OC(=O)C=C4C
InChI: InChI=1S/C24H27NO3/c1-4-15-7-6-8-16(5-2)23(15)25-20-13-19-17(12-21(20)26)9-10-18-14(3)11-22(27)28-24(18)19/h6-11,20-21,25-26H,4-5,12-13H2,1-3H3/t20-,21-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](C2=C(C=C(C=C2OC(=O)C)OC(=O)C)O[C@@H]1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)C4=C(C=C(C=C4OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H34O17/c1-16(38)46-25-12-29(50-20(5)42)33(30(13-25)51-21(6)43)35-34-31(52-22(7)44)14-26(47-17(2)39)15-32(34)54-36(37(35)53-23(8)45)24-9-10-27(48-18(3)40)28(11-24)49-19(4)41/h9-15,35-37H,1-8H3/t35-,36-,37+/m1/s1
SMILES: C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)C2=C3C(=CC=C(C3=C(C=C2)OCC4=CC=CC=C4)OC)OC(=O)C5=C(C(=CC(=C5)CCOCOC)OC)OS(=O)(=O)C(F)(F)F)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C58H57F3O14S/c1-38(69-33-39-17-9-5-10-18-39)52-55(71-35-41-21-13-7-14-22-41)56(72-36-42-23-15-8-16-24-42)54(74-52)44-25-26-47(70-34-40-19-11-6-12-20-40)51-46(66-3)27-28-48(50(44)51)73-57(62)45-31-43(29-30-68-37-65-2)32-49(67-4)53(45)75-76(63,64)58(59,60)61/h5-28,31-32,38,52,54-56H,29-30,33-37H2,1-4H3/t38-,52+,54-,55+,56+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=C([C@H]4[C@@H](C3)C4(C)C)C(=N2)C
InChI: InChI=1S/C17H20N2O2S/c1-10-5-7-12(8-6-10)22(20,21)19-14-9-13-16(17(13,3)4)15(14)11(2)18-19/h5-8,13,16H,9H2,1-4H3/t13-,16-/m1/s1
SMILES: CCOC(=O)C[C@@H]1CCC[C@@]2(N1)CCC[C@@H]([C@@H]2[C@@H](C[Si](C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H51NO4Si2/c1-10-29-22(28)17-19-13-11-15-25(26-19)16-12-14-21(30-32(8,9)24(2,3)4)23(25)20(27)18-31(5,6)7/h19-21,23,26-27H,10-18H2,1-9H3/t19-,20+,21-,23-,25+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4CC[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C19H21NO2/c1-11(2)12-7-9-15(10-8-12)20-18(21)16-13-3-4-14(6-5-13)17(16)19(20)22/h3-4,7-11,13-14,16-17H,5-6H2,1-2H3/t13-,14+,16-,17+
SMILES: CC1=CC(=CC=C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[C@@H](C(=O)O)N)O)O
InChI: InChI=1S/C21H26N6O5S/c1-11-3-2-4-12(7-11)26-18-15-19(24-9-23-18)27(10-25-15)20-17(29)16(28)14(32-20)8-33-6-5-13(22)21(30)31/h2-4,7,9-10,13-14,16-17,20,28-29H,5-6,8,22H2,1H3,(H,30,31)(H,23,24,26)/t13-,14+,16+,17+,20+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](OC(=O)[C@]1(C)[C@@H](C2=CC(=C(C=C2)OC)OC)O)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C25H30O9/c1-7-33-23(27)20-21(14-8-10-16(29-3)18(12-14)31-5)34-24(28)25(20,2)22(26)15-9-11-17(30-4)19(13-15)32-6/h8-13,20-22,26H,7H2,1-6H3/t20-,21-,22+,25-/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)CNC(=O)CCCCCNC(=O)C)CSC5=CC=CC=C5OC
InChI: InChI=1S/C41H48N2O6S/c1-28-37(27-50-38-16-7-6-15-36(38)47-3)48-41(49-40(28)32-20-18-30(26-44)19-21-32)35-14-10-13-34(24-35)33-12-9-11-31(23-33)25-43-39(46)17-5-4-8-22-42-29(2)45/h6-7,9-16,18-21,23-24,28,37,40-41,44H,4-5,8,17,22,25-27H2,1-3H3,(H,42,45)(H,43,46)/t28-,37+,40+,41+/m1/s1
SMILES: CCCOCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC=C2)O
InChI: InChI=1S/C17H22N2O5/c1-3-7-23-8-9-24-16(21)14-11(2)18-17(22)19-15(14)12-5-4-6-13(20)10-12/h4-6,10,14-15,20H,2-3,7-9H2,1H3,(H2,18,19,22)/t14-,15+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@@H]([C@@](CO2)(COCC3=CC=CC=C3)OC(=O)C)OCC4=CC=CC=C4
InChI: InChI=1S/C29H32O8S/c1-22-13-15-26(16-14-22)38(31,32)36-19-27-28(34-18-25-11-7-4-8-12-25)29(21-35-27,37-23(2)30)20-33-17-24-9-5-3-6-10-24/h3-16,27-28H,17-21H2,1-2H3/t27-,28-,29-/m0/s1
SMILES: CC[C@@H](C)[C@@H](C(=O)N[C@H]1[C@@H](OC2=CC=C(C=C2)/C=C\NC(=O)[C@@H](NC1=O)CC(C)C)C(C)C)N(C)C
InChI: InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-/t19-,22+,23+,24+,25+/m1/s1
SMILES: CCNC(=O)OC[C@H](C(C)(C)C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CCC3)C(=O)C(=O)N)C2(C)C)C(C)(C)C
InChI: InChI=1S/C32H54N6O7/c1-10-34-29(44)45-16-20(30(2,3)4)36-28(43)37-24(31(5,6)7)27(42)38-15-18-21(32(18,8)9)22(38)26(41)35-19(23(39)25(33)40)14-17-12-11-13-17/h17-22,24H,10-16H2,1-9H3,(H2,33,40)(H,34,44)(H,35,41)(H2,36,37,43)/t18-,19?,20+,21-,22-,24+/m0/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NCCNC5=CC=CC=C5
InChI: InChI=1S/C23H27N5O5/c1-12-17(26-9-8-25-13-6-4-3-5-7-13)20(30)16-14(11-33-22(24)31)23(32-2)21-15(27-21)10-28(23)18(16)19(12)29/h3-7,14-15,21,25-27H,8-11H2,1-2H3,(H2,24,31)/t14-,15+,21+,23-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCCCC4=CC=C(O4)C=O
InChI: InChI=1S/C29H34O8/c1-32-29-28(33-16-8-13-23-14-15-24(17-30)36-23)27(35-20-22-11-6-3-7-12-22)26(25(18-31)37-29)34-19-21-9-4-2-5-10-21/h2-7,9-12,14-15,17,25-29,31H,8,13,16,18-20H2,1H3/t25-,26-,27+,28+,29+/m1/s1