EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C(=N\NC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC=C2)/C3=CC4=C(C=C3)N[C@H]([C@@H]5[C@H]4C=CC5)C6=CC=C(C=C6)F
InChI: InChI=1S/C34H30F2N4O3S/c1-22(24-12-19-32-31(20-24)29-8-5-9-30(29)34(37-32)23-10-13-25(35)14-11-23)38-39-33(41)21-40(27-17-15-26(36)16-18-27)44(42,43)28-6-3-2-4-7-28/h2-8,10-20,29-30,34,37H,9,21H2,1H3,(H,39,41)/b38-22+/t29-,30+,34+/m1/s1
SMILES: CCN(CC)CCON=C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC)C
InChI: InChI=1S/C25H38N2O2/c1-5-27(6-2)15-16-29-26-24-12-11-23-22-9-7-18-17-19(28-4)8-10-20(18)21(22)13-14-25(23,24)3/h8,10,17,21-23H,5-7,9,11-16H2,1-4H3/t21-,22-,23+,25+/m1/s1
SMILES: CCC(CC)(CCCOC[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O
InChI: InChI=1S/C28H46O4/c1-5-28(31,6-2)15-8-16-32-19-23-12-13-25-21(9-7-14-27(23,25)4)10-11-22-17-24(29)18-26(30)20(22)3/h10-11,23-26,29-31H,3,5-9,12-19H2,1-2,4H3/b21-10+,22-11-/t23-,24-,25+,26+,27-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=CN=C32)N)CO
InChI: InChI=1S/C10H12FN5O2.C10H13N5O4/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3-6,10,17H,1-2H2,(H2,12,13,14);3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t5-,6-,10+;6-,7+,8+/m00/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)C
InChI: InChI=1S/C22H27N3O5/c1-14-8-6-7-11-18(14)25-21(29)20(28)24(22(25)30)13-19(27)23-17(15(2)26)12-16-9-4-3-5-10-16/h3-5,9-10,14,17-18H,6-8,11-13H2,1-2H3,(H,23,27)/t14-,17+,18-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1COCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=C5C=CC(=CC5=CC(=N4)C6=NC=CO6)OC)C(=O)NS(=O)(=O)C7CC7
InChI: InChI=1S/C38H46N6O11S/c1-37(2,3)55-36(48)41-29-21-52-14-7-5-6-8-23-19-38(23,35(47)43-56(49,50)26-10-11-26)42-31(45)30-18-25(20-44(30)34(29)46)54-32-27-12-9-24(51-4)16-22(27)17-28(40-32)33-39-13-15-53-33/h6,8-9,12-13,15-17,23,25-26,29-30H,5,7,10-11,14,18-21H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b8-6-/t23-,25-,29+,30+,38-/m1/s1
SMILES: CC(C)C(C(=O)O)N(C)[C@H]1C[C@@H]([C@H](C1)C2=CC(=CC=C2)F)CN3CCC4(CC3)CCN5C4=CC(=N5)CC6=CC=CC=C6
InChI: InChI=1S/C35H45FN4O2/c1-24(2)33(34(41)42)38(3)30-20-27(31(22-30)26-10-7-11-28(36)19-26)23-39-15-12-35(13-16-39)14-17-40-32(35)21-29(37-40)18-25-8-5-4-6-9-25/h4-11,19,21,24,27,30-31,33H,12-18,20,22-23H2,1-3H3,(H,41,42)/t27-,30+,31-,33?/m1/s1
SMILES: C1[C@@H]([C@@]1(C#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CO
InChI: InChI=1S/C19H20N2O/c20-15-19(11-18(19)14-22)21(12-16-7-3-1-4-8-16)13-17-9-5-2-6-10-17/h1-10,18,22H,11-14H2/t18-,19-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C36H56N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-34(41)44-30(29-40-35(42)31-19-15-16-20-32(31)36(40)43)28-38-24-26-39(27-25-38)33-21-17-18-23-37-33/h15-18,21,23,30-32H,2-14,19-20,22,24-29H2,1H3/t30?,31-,32+
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)O)CCCCO)CCCCO)O)N5C(=CN=N5)OC6CCCCO6
InChI: InChI=1S/C32H44N4O8/c1-41-34-25-18-27(36-28(19-33-35-36)43-29-10-4-7-15-42-29)32(40)31-23(25)16-20(8-2-5-13-37)22(9-3-6-14-38)30(31)24-17-21(39)11-12-26(24)44-32/h11-12,16-17,19-20,22,27,29-31,37-40H,2-10,13-15,18H2,1H3/t20-,22+,27-,29?,30+,31+,32+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]2[C@H]([C@@]3([C@@](CC[C@@H]([C@]3([C@@H]1OC(=O)C)C)OC(=O)C4=CC=CC=C4)(C)O)OC2(C)C)OC(=O)C
InChI: InChI=1S/C28H36O10/c1-15(29)34-21-20-22(35-16(2)30)28(38-25(20,4)5)26(6,33)14-13-19(27(28,7)23(21)36-17(3)31)37-24(32)18-11-9-8-10-12-18/h8-12,19-23,33H,13-14H2,1-7H3/t19-,20+,21-,22+,23+,26-,27-,28-/m0/s1
SMILES: COC(=O)/C=C/[C@@H]1C[C@H]2[C@@H](N1C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H22N2O6S/c1-29-20(25)13-12-15-14-18-17-10-6-7-11-19(17)24(21(18)23(15)22(26)30-2)31(27,28)16-8-4-3-5-9-16/h3-13,15,18,21H,14H2,1-2H3/b13-12+/t15-,18-,21+/m1/s1
SMILES: C=CCO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)N4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C25H22F3NO9S/c1-2-12-34-24-18(29-21(30)15-10-6-7-11-16(15)22(29)31)20(38-39(32,33)25(26,27)28)19-17(36-24)13-35-23(37-19)14-8-4-3-5-9-14/h2-11,17-20,23-24H,1,12-13H2/t17-,18-,19-,20-,23?,24-/m1/s1
SMILES: C[Si](C)(C)N(C1=NC(=NC2=C1N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C4=CSC=C4)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChI: InChI=1S/C26H48N6O4SSi4/c1-38(2,3)31(39(4,5)6)24-19-23(28-26(29-24)32(40(7,8)9)41(10,11)12)30(22(27-19)17-13-14-37-16-17)25-21(35)20(34)18(15-33)36-25/h13-14,16,18,20-21,25,33-35H,15H2,1-12H3/t18-,20-,21-,25-/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C18H24N2O6S/c1-12-11-16(12)18(22)26-13(2)17(21)19-14-3-5-15(6-4-14)27(23,24)20-7-9-25-10-8-20/h3-6,12-13,16H,7-11H2,1-2H3,(H,19,21)/t12-,13-,16+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2CC4=CC(=CC=C4)F)O)O
InChI: InChI=1S/C23H28FNO3/c1-28-21-14-17(8-9-20(21)26)22-19-7-2-3-10-23(19,27)11-12-25(22)15-16-5-4-6-18(24)13-16/h4-6,8-9,13-14,19,22,26-27H,2-3,7,10-12,15H2,1H3/t19-,22-,23-/m0/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO
InChI: InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)[C@@H]2C[C@@H]2C3=CC=CC=C3
InChI: InChI=1S/C21H23NO5S/c1-4-26-20(24)16-12(3)17(21(25)27-5-2)28-19(16)22-18(23)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11H2,1-3H3,(H,22,23)/t14-,15-/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)OC2=CC3=C(C=C2)O[C@H]4[C@@]3(CCO4)C
InChI: InChI=1S/C19H19NO4/c1-12-5-3-4-6-15(12)20-18(21)23-13-7-8-16-14(11-13)19(2)9-10-22-17(19)24-16/h3-8,11,17H,9-10H2,1-2H3,(H,20,21)/t17-,19+/m0/s1
SMILES: CC(=O)OC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@]4(CC(=O)[C@@H]3[C@]2(CC1)C)C
InChI: InChI=1S/C21H26O4/c1-12(22)25-14-8-9-20(2)13(10-14)4-5-15-16-6-7-18(24)21(16,3)11-17(23)19(15)20/h4,10,15-16,19H,5-9,11H2,1-3H3/t15-,16-,19+,20-,21-/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OC(C4=CC(=C(C=C4)O)O)C(=O)O)/C5=CSC(=N5)N)/C=C/CSC6=[N+](C7=C(CCC7)C(=N6)N)N
InChI: InChI=1S/C38H37N9O10S3/c1-55-21-10-7-18(8-11-21)15-56-36(54)29-20(4-3-13-58-38-44-31(39)22-5-2-6-24(22)47(38)41)16-59-34-28(33(51)46(29)34)43-32(50)27(23-17-60-37(40)42-23)45-57-30(35(52)53)19-9-12-25(48)26(49)14-19/h3-4,7-12,14,17,28,30,34,39H,2,5-6,13,15-16,41H2,1H3,(H6,40,42,43,45,48,49,50,52,53)/p+1/b4-3+/t28-,30?,34-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)O[C@H]2CO[C@@H]([C@H]([C@@H]2O)O)COC(=O)C3=CC(=C(C(=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC)OC
InChI: InChI=1S/C35H40O17/c1-41-20-10-18(11-21(42-2)30(20)46-6)34(39)51-25-14-17(9-24(45-5)32(25)48-8)33(38)50-15-26-28(36)29(37)27(16-49-26)52-35(40)19-12-22(43-3)31(47-7)23(13-19)44-4/h9-14,26-29,36-37H,15-16H2,1-8H3/t26-,27+,28-,29-/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)CNC(=O)C4=NC5=CC=CC=C5N=C4)CSC6=NN=NN6C7=CC=CC=C7
InChI: InChI=1S/C36H33N7O4S/c1-23-32(22-48-36-40-41-42-43(36)28-7-3-2-4-8-28)46-35(47-33(23)26-15-13-25(21-44)14-16-26)27-17-11-24(12-18-27)19-38-34(45)31-20-37-29-9-5-6-10-30(29)39-31/h2-18,20,23,32-33,35,44H,19,21-22H2,1H3,(H,38,45)/t23-,32+,33+,35+/m0/s1
SMILES: CC1(OC[C@]2([C@@H](O1)[C@H](OC2=O)CCO)NC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C17H21NO6/c1-16(2)22-10-17(18-14(20)11-6-4-3-5-7-11)13(24-16)12(8-9-19)23-15(17)21/h3-7,12-13,19H,8-10H2,1-2H3,(H,18,20)/t12-,13+,17-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H](C)[C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C#CCOC4=CC=CC5=C4C6=C(C5=O)C=C(C=C6)CO)C
InChI: InChI=1S/C39H40N2O9Si/c1-6-51(7-2,8-3)50-24(5)33-35-23(4)28(36(40(35)38(33)44)39(45)49-27-17-15-26(16-18-27)41(46)47)12-10-20-48-32-13-9-11-30-34(32)29-19-14-25(22-42)21-31(29)37(30)43/h9,11,13-19,21,23-24,33,35,42H,6-8,20,22H2,1-5H3/t23-,24+,33+,35+/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@@H]2C([C@H]([C@@H](O2)CO)O)(F)F
InChI: InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17)/t4-,6-,7-/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)[O-]
InChI: InChI=1S/C15H15ClF3NO3/c16-11-6-5-8(15(17,18)19)7-12(11)20-13(21)9-3-1-2-4-10(9)14(22)23/h5-7,9-10H,1-4H2,(H,20,21)(H,22,23)/p-1/t9-,10-/m0/s1
SMILES: CCOC(=O)C1=CC2=C3C(=C1)[C@H]4C=CC[C@H]4[C@@H](N3C[C@@H]5[C@@H]2C=CC5)C6=CC=C(C=C6)Br
InChI: InChI=1S/C27H26BrNO2/c1-2-31-27(30)18-13-23-20-6-3-5-17(20)15-29-25(16-9-11-19(28)12-10-16)22-8-4-7-21(22)24(14-18)26(23)29/h3-4,6-7,9-14,17,20-22,25H,2,5,8,15H2,1H3/t17-,20+,21+,22-,25+/m1/s1
SMILES: CC(=O)[O-].C[C@@]1(CC[C@@H](C[C@@H]1CO)O)C2CC[C@@]3(C([C@H]2CNCC4=CN=CC=C4)CCC3=C)C.[NH4+]
InChI: InChI=1S/C26H40N2O2.C2H4O2.H3N/c1-18-6-7-23-22(16-28-15-19-5-4-12-27-14-19)24(9-11-25(18,23)2)26(3)10-8-21(30)13-20(26)17-29;1-2(3)4;/h4-5,12,14,20-24,28-30H,1,6-11,13,15-17H2,2-3H3;1H3,(H,3,4);1H3/t20-,21+,22-,23?,24?,25+,26+;;/m1../s1
SMILES: CCCCC[C@@H]1CC[C@H](C[C@@H]1CC)C2=CC=C(C=C2)C(=O)O
InChI: InChI=1S/C20H30O2/c1-3-5-6-7-16-10-13-19(14-15(16)4-2)17-8-11-18(12-9-17)20(21)22/h8-9,11-12,15-16,19H,3-7,10,13-14H2,1-2H3,(H,21,22)/t15-,16+,19+/m0/s1
SMILES: C[C@H]1CO[C@]2(O1)[C@@]3([C@@H]([C@@]3(C(=N2)N)C#N)C4=CC=C(C=C4)Br)C#N
InChI: InChI=1S/C16H13BrN4O2/c1-9-6-22-16(23-9)15(8-19)12(10-2-4-11(17)5-3-10)14(15,7-18)13(20)21-16/h2-5,9,12H,6H2,1H3,(H2,20,21)/t9-,12+,14+,15+,16-/m0/s1
SMILES: C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@@H]([C@]34[C@H]2CC[C@@](C3)([C@](C4)(CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)(C)C(=O)O
InChI: InChI=1S/C26H42O12/c1-22-5-3-6-23(2,21(33)34)18(22)17(31)19(32)24-9-25(35,7-4-13(22)24)26(36,10-24)11-37-20-16(30)15(29)14(28)12(8-27)38-20/h12-20,27-32,35-36H,3-11H2,1-2H3,(H,33,34)/t12-,13+,14-,15+,16-,17+,18+,19+,20-,22+,23-,24-,25-,26+/m1/s1
SMILES: C1[C@@H]([C@H](CS1(=O)=O)CC(=O)OC2=CC=CC=C2F)CC(=O)OC3=CC=CC=C3F
InChI: InChI=1S/C20H18F2O6S/c21-15-5-1-3-7-17(15)27-19(23)9-13-11-29(25,26)12-14(13)10-20(24)28-18-8-4-2-6-16(18)22/h1-8,13-14H,9-12H2/t13-,14-/m0/s1
SMILES: CCO[C@]1([C@@H](C=C[C@H]1O)N2[C@@H]([C@@H](OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C30H31NO5/c1-2-35-30(21-34-20-22-12-6-3-7-13-22)25(18-19-26(30)32)31-27(23-14-8-4-9-15-23)28(36-29(31)33)24-16-10-5-11-17-24/h3-19,25-28,32H,2,20-21H2,1H3/t25-,26-,27-,28+,30+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4[C@@]3(CCC=C4)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H38O3Si/c1-23(2,3)29(5,6)28-16-25-13-8-7-9-17(25)15-20(26)22-18-10-11-21(27)24(18,4)14-12-19(22)25/h7,9,15,18-19,22H,8,10-14,16H2,1-6H3/t18-,19-,22-,24-,25+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@H](OC(=O)[C@H]2[C@H](O2)C[C@@H]3C[C@H]([C@@H](/C=C/[C@@H]4[C@]1(O4)C)C)OC(=O)C3)[C@H](C)[C@H](/C(=C/C=C/C(=C/C5=COC(=N5)C)/C)/C)OC
InChI: InChI=1S/C51H77NO10/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-25-46(53)61-45-32-42(37(5)48(56-8)36(4)24-22-23-34(2)28-40-33-57-38(6)52-40)60-50(55)49-43(59-49)30-39-29-41(58-47(54)31-39)35(3)26-27-44-51(45,7)62-44/h22-24,26-28,33,35,37,39,41-45,48-49H,9-21,25,29-32H2,1-8H3/b23-22+,27-26+,34-28+,36-24+/t35-,37+,39+,41-,42+,43-,44-,45+,48+,49-,51-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H](C(O1)OC2[C@@H](CCO[C@@H]2CNC(=O)C3CCCCC3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OC(CC5CCCCC5)C(=O)O)O)O)O)O
InChI: InChI=1S/C34H57NO15/c1-17-24(37)26(39)27(40)33(46-17)50-29-20(12-13-45-22(29)15-35-31(42)19-10-6-3-7-11-19)48-34-28(41)30(25(38)23(16-36)49-34)47-21(32(43)44)14-18-8-4-2-5-9-18/h17-30,33-34,36-41H,2-16H2,1H3,(H,35,42)(H,43,44)/t17-,20+,21?,22+,23+,24+,25-,26+,27-,28+,29?,30-,33?,34+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=CC(=C7)Br)O)C(=O)N(C5=O)C8=CC(=CC=C8)[N+](=O)[O-]
InChI: InChI=1S/C39H31BrN4O7/c1-21-10-13-24(14-11-21)41-43-36(47)31-20-29-27(15-16-28-33(29)37(48)42(35(28)46)25-8-5-9-26(19-25)44(50)51)34(30-18-23(40)12-17-32(30)45)39(31,38(43)49)22-6-3-2-4-7-22/h2-15,17-19,28-29,31,33-34,41,45H,16,20H2,1H3/t28-,29+,31-,33-,34+,39+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5CCCCC5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6CCCCC6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C45H67NO15/c1-23-28(58-39(53)33(50)32(26-16-12-10-13-17-26)46-40(54)61-41(4,5)6)21-45(55)37(59-38(52)27-18-14-11-15-19-27)35-43(9,29(49)20-30-44(35,22-56-30)60-25(3)48)36(51)34(57-24(2)47)31(23)42(45,7)8/h26-30,32-35,37,49-50,55H,10-22H2,1-9H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35?,37-,43+,44-,45+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](C[C@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C25H56O4Si3/c1-23(2,3)30(10,11)27-18-20-21(26)16-19(28-31(12,13)24(4,5)6)17-22(20)29-32(14,15)25(7,8)9/h19-22,26H,16-18H2,1-15H3/t19-,20+,21-,22+/m1/s1
SMILES: CC1(O[C@@H]2C[C@@H](O[C@@H]2O1)[C@@](C)(/C=C/[C@@H](CC=C)O)O)C
InChI: InChI=1S/C15H24O5/c1-5-6-10(16)7-8-15(4,17)12-9-11-13(18-12)20-14(2,3)19-11/h5,7-8,10-13,16-17H,1,6,9H2,2-4H3/b8-7+/t10-,11-,12-,13-,15-/m1/s1
SMILES: C[C@H]([C@H]1C[C@@H]2C/C(=C\C(=O)OC)/[C@@H]([C@@](O2)(C(/C=C/[C@H]3C/C(=C\C(=O)OC)/C[C@H](O3)C[C@]4(C([C@H](C[C@H](O4)C[C@H](CC(=O)O1)O)OC(=O)C)(C)C)O)(C)C)O)OC(=O)C)O
InChI: InChI=1S/C41H60O17/c1-22(42)32-19-29-15-26(16-35(47)52-9)37(54-24(3)44)41(50,58-29)38(4,5)11-10-28-12-25(14-34(46)51-8)13-31(55-28)21-40(49)39(6,7)33(53-23(2)43)20-30(57-40)17-27(45)18-36(48)56-32/h10-11,14,16,22,27-33,37,42,45,49-50H,12-13,15,17-21H2,1-9H3/b11-10+,25-14+,26-16+/t22-,27-,28+,29+,30-,31+,32-,33+,37+,40+,41-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CS3
InChI: InChI=1S/C16H25N3O2S3/c1-13-5-2-3-6-14(13)17-16(22)18-8-10-19(11-9-18)24(20,21)15-7-4-12-23-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,17,22)/t13-,14+/m0/s1
SMILES: C/C/1=C/CC/C(=C\C[C@]2([C@H](C/C=C(\[C@H](CC1)O)/C)C(=C(C2=O)O)[C@H](C)CO)C)/C
InChI: InChI=1S/C25H38O4/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(27)12-9-16)22(19(4)15-26)23(28)24(25)29/h7,10,13,19-21,26-28H,6,8-9,11-12,14-15H2,1-5H3/b16-7-,17-13-,18-10-/t19-,20-,21+,25+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2CC3([C@@H]([C@H]2CC14OCCO4)C(=O)OC)OCCO3
InChI: InChI=1S/C16H22O8/c1-19-13(17)11-9-7-16(23-5-6-24-16)12(14(18)20-2)10(9)8-15(11)21-3-4-22-15/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CCC7=C(C6)NC8=CC=CC=C78)O)C(=C5)C(=O)C9=CC=C(O9)C1=C(C=CC(=C1)C(F)(F)F)Cl)O)C
InChI: InChI=1S/C45H46ClF3N2O4/c1-40-15-11-27(52)22-42(40)18-19-44(31(23-42)39(53)36-10-9-35(55-36)30-21-26(45(47,48)49)7-8-32(30)46)37(40)12-16-41(2)38(44)13-17-43(41,54)25-51-20-14-29-28-5-3-4-6-33(28)50-34(29)24-51/h3-10,18-19,21,23,27,37-38,50,52,54H,11-17,20,22,24-25H2,1-2H3/t27?,37-,38-,40-,41+,42+,43-,44-/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)O[C@@H]4[C@H]([C@H](CO[C@H]4N5C=NC6=C(N=CN=C65)NC(=O)COC7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8
InChI: InChI=1S/C46H41N5O9/c1-55-34-22-18-32(19-23-34)46(31-14-8-4-9-15-31,33-20-24-35(56-2)25-21-33)60-41-40(59-45(54)30-12-6-3-7-13-30)37(52)26-58-44(41)51-29-49-39-42(47-28-48-43(39)51)50-38(53)27-57-36-16-10-5-11-17-36/h3-25,28-29,37,40-41,44,52H,26-27H2,1-2H3,(H,47,48,50,53)/t37-,40-,41+,44+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSCCN2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C20H26N2O3S/c1-13-6-5-9-17(14(13)2)21-18(23)12-26-11-10-22-19(24)15-7-3-4-8-16(15)20(22)25/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3,(H,21,23)/t13-,14+,17-/m0/s1
SMILES: COC1=CC=C(C=C1)CN2[C@@H]([C@]3(C2=O)C[C@H](CN3C(=O)OCC4=CC=CC=C4)OS(=O)(=O)C)C5=CC=C(C=C5)F
InChI: InChI=1S/C29H29FN2O7S/c1-37-24-14-8-20(9-15-24)17-31-26(22-10-12-23(30)13-11-22)29(27(31)33)16-25(39-40(2,35)36)18-32(29)28(34)38-19-21-6-4-3-5-7-21/h3-15,25-26H,16-19H2,1-2H3/t25-,26-,29+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)/C=N/OCC=C)OCC=C)C
InChI: InChI=1S/C14H21NO5/c1-5-7-16-11-10(9-15-17-8-6-2)18-13-12(11)19-14(3,4)20-13/h5-6,9-13H,1-2,7-8H2,3-4H3/b15-9+/t10-,11+,12-,13-/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)/C=N\OC
InChI: InChI=1S/C16H20Cl2N2O/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3/b19-9-/t11-,12+,13+,16+/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(C)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H76N2O10/c1-5-7-8-9-10-11-12-13-14-22-34-64-55(62)58(3)52-38-49(57-66-40-41-23-16-15-17-24-41)47-36-42(25-18-20-31-59)46(26-19-21-32-60)53-48-37-45(67-44-27-29-50(63-4)43(35-44)39-61)28-30-51(48)68-56(52,54(47)53)65-33-6-2/h6,15-17,23-24,27-30,35-37,39,42,46,52-54,59-60H,2,5,7-14,18-22,25-26,31-34,38,40H2,1,3-4H3/t42-,46+,52-,53+,54+,56+/m0/s1
SMILES: CC(CCC=C(C)C)[C@H]1CC[C@]2([C@H]1C/C=C(\[C@@H]3[C@H](C2)[C@@](CC3=O)(C)O)/C=O)C
InChI: InChI=1S/C25H38O3/c1-16(2)7-6-8-17(3)19-11-12-24(4)13-21-23(22(27)14-25(21,5)28)18(15-26)9-10-20(19)24/h7,9,15,17,19-21,23,28H,6,8,10-14H2,1-5H3/b18-9-/t17?,19-,20+,21+,23-,24-,25+/m1/s1
SMILES: C1C[C@H]2[C@@H](C1)[C@H]3[C@@H]4[C@]3([C@H]2C=C4)C5CC5
InChI: InChI=1S/C14H18/c1-2-9-10(3-1)13-12-7-6-11(9)14(12,13)8-4-5-8/h6-13H,1-5H2/t9-,10+,11-,12+,13-,14+/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]([C@H](C)O)(C(C)(C)O)O
InChI: InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15-,16+,20+/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC[C@@H](OC3)C4=CC(=O)OC4O)CCCC2=C)C
InChI: InChI=1S/C25H36O4/c1-16-6-5-7-21-24(16,3)12-10-17(2)25(21,4)13-11-18-8-9-20(28-15-18)19-14-22(26)29-23(19)27/h8,14,17,20-21,23,27H,1,5-7,9-13,15H2,2-4H3/t17-,20+,21-,23?,24-,25-/m0/s1
SMILES: CN1CCC23C14C[C@@H](C5=C2C(=C(C=C5)OC)O)O[C@]4([C@H](C(C3)O)O)OC
InChI: InChI=1S/C19H25NO6/c1-20-7-6-17-8-11(21)16(23)19(25-3)18(17,20)9-13(26-19)10-4-5-12(24-2)15(22)14(10)17/h4-5,11,13,16,21-23H,6-9H2,1-3H3/t11?,13-,16-,17?,18?,19-/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C=C(C=C5OC)O)OC)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C27H26BrNO7/c1-4-7-29-26(33)14-6-5-13-15(21(14)27(29)34)10-16-22(18(31)11-17(28)25(16)32)23(13)24-19(35-2)8-12(30)9-20(24)36-3/h5,8-9,11,14-15,21,23,30H,4,6-7,10H2,1-3H3/t14-,15+,21-,23-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@]3(CC[C@@H](C([C@@H]3CC[C@]2([C@@H]1COC(=O)C)C)(C)C)OC)C
InChI: InChI=1S/C23H40O3/c1-15-8-9-19-22(5,17(15)14-26-16(2)24)12-10-18-21(3,4)20(25-7)11-13-23(18,19)6/h15,17-20H,8-14H2,1-7H3/t15-,17-,18+,19+,20+,22+,23+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)N=CC2=CC=CC=C2NS(=O)(=O)C(F)(F)F)N=CC3=CC=CC=C3NS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C22H22F6N4O4S2/c23-21(24,25)37(33,34)31-17-9-3-1-7-15(17)13-29-19-11-5-6-12-20(19)30-14-16-8-2-4-10-18(16)32-38(35,36)22(26,27)28/h1-4,7-10,13-14,19-20,31-32H,5-6,11-12H2/t19-,20-/m1/s1
SMILES: CN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)O)(CC4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C22H22N2O5/c1-24-19(26)16-17(20(24)27)22(21(28)29-2,12-13-6-4-3-5-7-13)23-18(16)14-8-10-15(25)11-9-14/h3-11,16-18,23,25H,12H2,1-2H3/t16-,17-,18+,22+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CCOC2=CC3=C(C=C2)C=C(C=C3)C(=O)O)O)O)O
InChI: InChI=1S/C19H22O7/c1-10-16(20)18(22)17(21)15(26-10)6-7-25-14-5-4-11-8-13(19(23)24)3-2-12(11)9-14/h2-5,8-10,15-18,20-22H,6-7H2,1H3,(H,23,24)/t10-,15+,16+,17+,18+/m1/s1
SMILES: C[C@H]1CCC2[C@H](C[C@H](C3=C(C(=C(C1=C23)O[C@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)C)OC(=O)C)O)O)O)C)C=C(C)C)C
InChI: InChI=1S/C28H40O7/c1-12(2)10-18-11-14(4)19-9-8-13(3)20-22(19)21(18)15(5)23(30)27(20)35-28-25(32)24(31)26(16(6)33-28)34-17(7)29/h10,13-14,16,18-19,24-26,28,30-32H,8-9,11H2,1-7H3/t13-,14-,16-,18+,19?,24-,25+,26+,28-/m0/s1
SMILES: CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C)C(=O)SCCl
InChI: InChI=1S/C25H33ClO5S/c1-5-20(29)31-25(22(30)32-13-26)14(2)10-18-17-7-6-15-11-16(27)8-9-23(15,3)21(17)19(28)12-24(18,25)4/h8-9,11,14,17-19,21,28H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,21+,23-,24-,25-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC2=NC(=C([C@H](C2C1=O)C3=CC=CC=C3)C(=O)OCC)C)C4=CC=CC=C4OC
InChI: InChI=1S/C29H31NO6/c1-5-35-28(32)23-17(3)30-21-16-20(19-14-10-11-15-22(19)34-4)25(29(33)36-6-2)27(31)26(21)24(23)18-12-8-7-9-13-18/h7-15,20,24-26H,5-6,16H2,1-4H3/t20-,24-,25+,26?/m1/s1
SMILES: C[C@]1(C[C@@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)[C@]1(O2)C)CNC6=O)O
InChI: InChI=1S/C26H21N3O3/c1-25(31)11-18-28-16-9-5-3-7-13(16)20-21-15(12-27-24(21)30)19-14-8-4-6-10-17(14)29(23(19)22(20)28)26(25,2)32-18/h3-10,18,31H,11-12H2,1-2H3,(H,27,30)/t18-,25-,26+/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@H](O[C@@H]3[C@H]2OC(O3)(C)C)C(=O)OC4=CC=C(C=C4)Cl)C
InChI: InChI=1S/C18H21ClO7/c1-17(2)23-11-12(24-17)14-16(26-18(3,4)25-14)22-13(11)15(20)21-10-7-5-9(19)6-8-10/h5-8,11-14,16H,1-4H3/t11-,12+,13+,14+,16+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1OC(=O)N[C@@](C)(CC2=CNC3=CC=CC=C32)C(=O)OC
InChI: InChI=1S/C21H28N2O4/c1-14-8-4-7-11-18(14)27-20(25)23-21(2,19(24)26-3)12-15-13-22-17-10-6-5-9-16(15)17/h5-6,9-10,13-14,18,22H,4,7-8,11-12H2,1-3H3,(H,23,25)/t14-,18-,21-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H](C=C(O1)C2=CC=C(C=C2)C#N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H55NO4Si3/c1-29(2,3)37(10,11)33-22-27-28(36-39(14,15)31(7,8)9)26(35-38(12,13)30(4,5)6)20-25(34-27)24-18-16-23(21-32)17-19-24/h16-20,26-28H,22H2,1-15H3/t26-,27-,28+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3F
InChI: InChI=1S/C18H22FN3O2S/c1-11-6-5-9-15(12(11)2)20-16(23)10-25-18-22-21-17(24-18)13-7-3-4-8-14(13)19/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,20,23)/t11-,12+,15-/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]\4([C@H]3C/C(=C\C5=CC=C(C=C5)N(C)C)/C4=N\O)C)O
InChI: InChI=1S/C28H38N2O2/c1-27-13-11-22(31)17-20(27)7-10-23-24(27)12-14-28(2)25(23)16-19(26(28)29-32)15-18-5-8-21(9-6-18)30(3)4/h5-9,15,22-25,31-32H,10-14,16-17H2,1-4H3/b19-15+,29-26+/t22-,23+,24-,25-,27-,28-/m0/s1
SMILES: CS(=O)(=O)OCCC[C@@H]1[C@H](CC(=O)O1)[C@@H]2CCC(=O)N2
InChI: InChI=1S/C12H19NO6S/c1-20(16,17)18-6-2-3-10-8(7-12(15)19-10)9-4-5-11(14)13-9/h8-10H,2-7H2,1H3,(H,13,14)/t8-,9+,10-/m1/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC[C@H]([C@H]([C@@H](C(CO)O)O)O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C18H34O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h5-30H,1-4H2/t5?,6-,7-,8-,9-,10-,11+,12-,13+,14+,15-,16-,17+,18-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@H]6CCCO6)C(=O)[C@]78CC[C@](C7(C)C)(C(=O)O8)C)O)C(=C5)C(=O)C9=CC=CO9)O)C
InChI: InChI=1S/C42H55NO8/c1-35(2)38(5)16-19-42(35,51-34(38)47)33(46)43(24-27-8-6-20-49-27)25-40(48)15-12-31-37(40,4)14-11-30-36(3)13-10-26(44)22-39(36)17-18-41(30,31)28(23-39)32(45)29-9-7-21-50-29/h7,9,17-18,21,23,26-27,30-31,44,48H,6,8,10-16,19-20,22,24-25H2,1-5H3/t26?,27-,30-,31-,36-,37+,38+,39+,40-,41-,42-/m1/s1
SMILES: CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC(=CC=C3)[N+](=O)[O-])CCCC
InChI: InChI=1S/C26H36N2O5S/c1-5-7-14-26(15-8-6-2)18-34(32,33)23-13-12-20(27(3)4)17-22(23)24(25(26)29)19-10-9-11-21(16-19)28(30)31/h9-13,16-17,24-25,29H,5-8,14-15,18H2,1-4H3/t24-,25-/m1/s1
SMILES: C1[C@H]2C3[C@@H]4[C@@H]5C2C6([C@H]1C3[C@H]7[C@@H]6C5CC47)C8=CC=CC=N8
InChI: InChI=1S/C19H19N/c1-2-4-20-11(3-1)19-10-6-9-13-12-7-5-8(15(12)18(9)19)17(19)14(7)16(10)13/h1-4,7-10,12-18H,5-6H2/t7?,8?,9-,10+,12+,13?,14-,15+,16?,17-,18?,19?/m0/s1
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)ON=C5CNC6=CC=CC=C6
InChI: InChI=1S/C35H42N4O8S/c1-23(2)20-39(48(42,43)26-13-14-32-28(18-26)30(38-47-32)19-36-25-11-7-4-8-12-25)21-31(40)29(17-24-9-5-3-6-10-24)37-35(41)46-33-22-45-34-27(33)15-16-44-34/h3-14,18,23,27,29,31,33-34,36,40H,15-17,19-22H2,1-2H3,(H,37,41)/t27-,29-,31+,33?,34+/m0/s1
SMILES: CC[C@@H]1[C@H](N2C3CC1C4C2CC5([C@@H]4O)C3N(C6=C5C=C(C=C6)Br)C)O
InChI: InChI=1S/C20H25BrN2O2/c1-3-10-11-7-14-17-20(12-6-9(21)4-5-13(12)22(17)2)8-15(16(11)18(20)24)23(14)19(10)25/h4-6,10-11,14-19,24-25H,3,7-8H2,1-2H3/t10-,11?,14?,15?,16?,17?,18+,19+,20?/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H27N5O2S/c1-14-8-6-7-11-16(14)22-18(26)13-28-20-24-23-17(25(20)2)12-21-19(27)15-9-4-3-5-10-15/h3-5,9-10,14,16H,6-8,11-13H2,1-2H3,(H,21,27)(H,22,26)/t14-,16+/m1/s1
SMILES: C[C@@H](CSC1=CC=CC(=C1)C(C)(C)O)[C@H]2CC[C@@H]3[C@@]2(CCC[C@@H]3O)C
InChI: InChI=1S/C22H34O2S/c1-15(14-25-17-8-5-7-16(13-17)21(2,3)24)18-10-11-19-20(23)9-6-12-22(18,19)4/h5,7-8,13,15,18-20,23-24H,6,9-12,14H2,1-4H3/t15-,18+,19-,20-,22+/m0/s1