EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)CCCC(=O)N(CCC1=CC=CC=C1OC)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C30H37IN2O7/c1-20(35)8-7-13-28(36)33(16-14-21-9-3-5-11-25(21)39-2)24-18-22(30(38)32-15-17-34)19-27(29(24)37)40-26-12-6-4-10-23(26)31/h3-6,9-12,19,24,27,29,34,37H,7-8,13-18H2,1-2H3,(H,32,38)/t24-,27+,29+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC=C)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H40O17S/c1-9-10-37-28-27(25(43-18(7)35)23(41-16(5)33)20(45-28)11-38-13(2)30)47-29-26(44-19(8)36)24(42-17(6)34)22(40-15(4)32)21(46-29)12-39-14(3)31/h9,20-29H,1,10-12H2,2-8H3/t20-,21-,22-,23-,24+,25+,26-,27-,28+,29+/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C
InChI: InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13?,14?,15?,17-,18-,19-/m0/s1
SMILES: CC1=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=CC(=C6)C(=O)O)O
InChI: InChI=1S/C29H23BrCl2N2O7/c1-13-4-2-7-18(22(13)35)21-16-8-9-17-20(19(16)11-28(31)26(40)33(12-30)27(41)29(21,28)32)24(37)34(23(17)36)15-6-3-5-14(10-15)25(38)39/h2-8,10,17,19-21,35H,9,11-12H2,1H3,(H,38,39)/t17-,19+,20-,21+,28+,29-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=CC(=NC3=O)N)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O
InChI: InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/t7-,8+,9+,12+,13+,14+,15+,16+,17?,20+/m0/s1
SMILES: CN1C2=CC=CC=C2C3=C1[C@@]([C@](CC3)(CC=C)C(=O)OC)(C4=CC=CC=C4)O
InChI: InChI=1S/C24H25NO3/c1-4-15-23(22(26)28-3)16-14-19-18-12-8-9-13-20(18)25(2)21(19)24(23,27)17-10-6-5-7-11-17/h4-13,27H,1,14-16H2,2-3H3/t23-,24+/m0/s1
SMILES: C[Si](C)(C)C1[C@@H]2CCC(=C)C[C@@]23C4=CC5=C(C=C4C(CN3C1=O)SC6=CC=CC=C6)OCO5
InChI: InChI=1S/C27H31NO3SSi/c1-17-10-11-20-25(33(2,3)4)26(29)28-15-24(32-18-8-6-5-7-9-18)19-12-22-23(31-16-30-22)13-21(19)27(20,28)14-17/h5-9,12-13,20,24-25H,1,10-11,14-16H2,2-4H3/t20-,24?,25?,27-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@H]2[C@@H]3CCCC[C@]3(CCN2CC4=CC=CC=C4Cl)O
InChI: InChI=1S/C24H30ClNO3/c1-28-18-10-11-22(29-2)19(15-18)23-20-8-5-6-12-24(20,27)13-14-26(23)16-17-7-3-4-9-21(17)25/h3-4,7,9-11,15,20,23,27H,5-6,8,12-14,16H2,1-2H3/t20-,23-,24+/m0/s1
SMILES: CC(=O)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C20H16ClN3O4/c1-11(25)17-16-18(24(22-17)13-7-5-6-12(21)10-13)20(27)23(19(16)26)14-8-3-4-9-15(14)28-2/h3-10,16,18H,1-2H3/t16-,18+/m1/s1
SMILES: C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC(=CC(=C6)C(=O)O)C(=O)O)C)(C)COC(=O)C7=CC(=CC(=C7)C(=O)O)C(=O)O
InChI: InChI=1S/C48H56O12/c1-43(2)34-10-13-48(7)35(46(34,5)12-11-36(43)60-42(58)31-22-28(39(53)54)19-29(23-31)40(55)56)9-8-32-33-24-44(3,14-15-45(33,4)16-17-47(32,48)6)25-59-41(57)30-20-26(37(49)50)18-27(21-30)38(51)52/h8-9,18-23,34-36H,10-17,24-25H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)/t34-,35+,36-,44-,45+,46-,47+,48+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCNC(=O)N)[C@@]4(C2=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N
InChI: InChI=1S/C46H40N6O7/c1-27(29-13-5-2-6-14-29)50-45(58)51-35-24-19-28(12-11-25-49-44(48)57)26-34(35)46(43(51)56)36(41(47)54)38-42(55)59-39(31-17-9-4-10-18-31)37(30-15-7-3-8-16-30)52(38)40(46)32-20-22-33(53)23-21-32/h2-10,13-24,26-27,36-40,53H,25H2,1H3,(H2,47,54)(H,50,58)(H3,48,49,57)/t27-,36-,37-,38-,39+,40+,46-/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CNC3=CC(=C(C=C3)C)Cl
InChI: InChI=1S/C17H21ClN2O2/c1-10-3-6-13-14(7-10)17(22)20(16(13)21)9-19-12-5-4-11(2)15(18)8-12/h4-5,8,10,13-14,19H,3,6-7,9H2,1-2H3/t10-,13-,14+/m0/s1
SMILES: C1CC1[C@H]2C3=C(CC[NH+]2CN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)SC=C3
InChI: InChI=1S/C19H22N2O2S/c22-18-13-3-1-2-4-14(13)19(23)21(18)11-20-9-7-16-15(8-10-24-16)17(20)12-5-6-12/h1-2,8,10,12-14,17H,3-7,9,11H2/p+1/t13-,14+,17-/m0/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(C(=C(C1)C2OS(=O)(=O)O)NCCN(C)C)O)/C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C32H52N4O11S/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(30(22)47-48(41,42)43)35-31(39)19(2)10-9-11-25(44-7)29(46-32(33)40)21(4)16-20(3)28(38)26(15-18)45-8/h9-11,16-18,20,24-26,28-30,34,37-38H,12-15H2,1-8H3,(H2,33,40)(H,35,39)(H,41,42,43)/b11-9-,19-10+,21-16+/t18-,20+,24?,25+,26+,28-,29+,30?/m1/s1
SMILES: COC1=CC(=O)OC(=C1)[C@H]2[C@@H]3C[C@H](C[C@]2(CC(=O)C4=CC=CC=C4)O)OC3=O
InChI: InChI=1S/C21H20O7/c1-26-13-8-17(28-18(23)9-13)19-15-7-14(27-20(15)24)10-21(19,25)11-16(22)12-5-3-2-4-6-12/h2-6,8-9,14-15,19,25H,7,10-11H2,1H3/t14-,15+,19-,21-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C[NH+](C)CC(=O)NC(C)C
InChI: InChI=1S/C16H31N3O2/c1-11(2)17-15(20)9-19(5)10-16(21)18-14-8-6-7-12(3)13(14)4/h11-14H,6-10H2,1-5H3,(H,17,20)(H,18,21)/p+1/t12-,13+,14+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)OC)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=CC=C7C8=CC=CC=C8)C
InChI: InChI=1S/C54H56N2O5/c1-37-13-12-31-53(2)50(47-29-23-38(33-43(57)26-22-37)34-49(47)51(58)48-21-10-9-20-46(48)40-14-5-4-6-15-40)30-32-54(53,60)36-56(52(59)55-42-24-27-44(61-3)28-25-42)35-41-18-11-17-39-16-7-8-19-45(39)41/h4-11,13-21,23-25,27-29,34,43,50,57,60H,12,22,26,30-33,35-36H2,1-3H3,(H,55,59)/t43-,50-,53-,54+/m0/s1
SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@H]3C2=CC[C@](C3)(C)C=C)(C)C(=O)OC
InChI: InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15-,17+,19+,20+,21-/m1/s1
SMILES: C[C@@H]1CC[C@@](C2=CC([C@H]([C@@H]12)O)(C)C)(CC(=O)OC(C)(C)C)O
InChI: InChI=1S/C18H30O4/c1-11-7-8-18(21,10-13(19)22-16(2,3)4)12-9-17(5,6)15(20)14(11)12/h9,11,14-15,20-21H,7-8,10H2,1-6H3/t11-,14+,15+,18+/m1/s1
SMILES: C1CC[C@]23CCN([C@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCOCCO
InChI: InChI=1S/C20H29NO3/c22-10-12-24-11-9-21-8-7-20-6-2-1-3-17(20)19(21)13-15-4-5-16(23)14-18(15)20/h4-5,14,17,19,22-23H,1-3,6-13H2/t17-,19-,20-/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C)C(C)C
InChI: InChI=1S/C21H29NO5/c1-13(2)18-10-5-14(3)11-19(18)27-20(24)12-26-21(25)16-6-8-17(9-7-16)22-15(4)23/h6-9,13-14,18-19H,5,10-12H2,1-4H3,(H,22,23)/t14-,18-,19-/m1/s1
SMILES: C[C@@H]1CN=C2[C@@]13C[C@H]([C@@]4([C@]25C[C@H]([C@@H]6C5=C(CC6)CC[C@@H]4[C@H]3O)C(=O)OC)COC(=O)C)OC(=O)C
InChI: InChI=1S/C27H35NO7/c1-13-11-28-24-25(13)10-20(35-15(3)30)27(12-34-14(2)29)19(22(25)31)8-6-16-5-7-17-18(23(32)33-4)9-26(24,27)21(16)17/h13,17-20,22,31H,5-12H2,1-4H3/t13-,17-,18-,19-,20-,22-,25+,26+,27-/m1/s1
SMILES: C[C@@H]1CC(=C[C@@H]([C@@H]1CN(CCN2CCN(CC2)C(=O)C)C(=O)C)C)C
InChI: InChI=1S/C20H35N3O2/c1-15-12-16(2)20(17(3)13-15)14-23(19(5)25)11-8-21-6-9-22(10-7-21)18(4)24/h12,16-17,20H,6-11,13-14H2,1-5H3/t16-,17+,20-/m0/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC(C)(C)C)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)SCCC6=CC=NC=C6)OCC=C
InChI: InChI=1S/C45H59N3O6S/c1-6-25-52-45-41(55-26-20-32-18-21-46-22-19-32)29-39(48-54-44(3,4)5)37-27-33(13-7-9-23-49)36(15-8-10-24-50)42(43(37)45)38-28-35(16-17-40(38)53-45)51-30-34-14-11-12-31(2)47-34/h6,11-12,14,16-19,21-22,27-28,33,36,41-43,49-50H,1,7-10,13,15,20,23-26,29-30H2,2-5H3/t33-,36+,41-,42+,43+,45+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)N2C(=O)[C@H]3[C@H](N4CCCN4[C@H]3C2=O)C5=CC=CC=C5)C
InChI: InChI=1S/C23H25N3O2/c1-14-12-15(2)19(16(3)13-14)26-22(27)18-20(17-8-5-4-6-9-17)24-10-7-11-25(24)21(18)23(26)28/h4-6,8-9,12-13,18,20-21H,7,10-11H2,1-3H3/t18-,20+,21+/m0/s1
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1CNCC[C@@H]1OP(=O)(O)O
InChI: InChI=1S/C23H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(25)29-22-20-24-19-18-21(22)30-31(26,27)28/h9-10,21-22,24H,2-8,11-20H2,1H3,(H2,26,27,28)/b10-9+/t21-,22+/m0/s1
SMILES: C=CC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)OCCO)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
InChI: InChI=1S/C42H35ClFN3O6/c1-2-24-3-15-30(16-4-24)46-38(49)33-20-19-32-34(36(33)40(46)51)23-35-39(50)47(45-29-13-11-28(44)12-14-29)41(52)42(35,26-7-9-27(43)10-8-26)37(32)25-5-17-31(18-6-25)53-22-21-48/h2-19,33-37,45,48H,1,20-23H2/t33-,34+,35-,36-,37-,42+/m0/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)CN4CCOCC4)(C)C)O)C)O)C=C
InChI: InChI=1S/C26H41NO8/c1-7-23(4)14-17(29)26(32)24(5)16(28)8-9-22(2,3)20(24)19(21(31)25(26,6)35-23)34-18(30)15-27-10-12-33-13-11-27/h7,16,19-21,28,31-32H,1,8-15H2,2-6H3/t16-,19-,20-,21-,23-,24-,25+,26-/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@H]2[C@@H](C1)[C@@H](C(=O)N2CC3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C25H27NO6/c1-15(27)32-19-8-9-21-20(12-19)24(17-5-10-22-23(11-17)31-14-30-22)25(28)26(21)13-16-3-6-18(29-2)7-4-16/h3-7,10-11,19-21,24H,8-9,12-14H2,1-2H3/t19-,20-,21+,24+/m1/s1
SMILES: C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)S[C@@H]4CS(=O)(=O)C[C@@H]4O
InChI: InChI=1S/C18H23N3O3S2/c22-15-11-26(23,24)12-16(15)25-18-19-17(13-7-3-1-4-8-13)21(20-18)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16,22H,1,3-4,7-8,11-12H2/t15-,16+/m0/s1
SMILES: CC(=C)C[C@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1C4=CC=CC5=CC=CC=C54)C(=O)[O-]
InChI: InChI=1S/C23H21NO4/c1-13(2)12-18-23-11-10-17(28-23)19(22(26)27)20(23)21(25)24(18)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,17-20H,1,12H2,2H3,(H,26,27)/p-1/t17-,18+,19+,20+,23-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCCSC)[C@H]2CN(C[C@@H]2OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C27H38N2O7S3/c1-20-8-12-22(13-9-20)38(31,32)29(16-7-17-37-6)24-18-28(26(30)35-27(3,4)5)19-25(24)36-39(33,34)23-14-10-21(2)11-15-23/h8-15,24-25H,7,16-19H2,1-6H3/t24-,25-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC=C5)OC)O)C(=O)N(C4=O)C6=CC(=C(C(=C6)[N+](=O)[O-])N(C)C)[N+](=O)[O-])C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H33N5O10/c1-36-24(33(44)39(35(36)46)18-9-6-5-7-10-18)17-23-20(29(36)22-11-8-12-27(51-4)31(22)42)13-14-21-28(23)34(45)38(32(21)43)19-15-25(40(47)48)30(37(2)3)26(16-19)41(49)50/h5-13,15-16,21,23-24,28-29,42H,14,17H2,1-4H3/t21-,23+,24-,28-,29+,36+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl
InChI: InChI=1S/C18H19ClN4O3/c1-11-4-2-3-7-18(11)16(25)23(17(26)22-18)10-15(24)21-13-6-5-12(9-20)14(19)8-13/h5-6,8,11H,2-4,7,10H2,1H3,(H,21,24)(H,22,26)/t11-,18-/m1/s1
SMILES: C[C@]12[C@H]3[C@H]4[C@@H]5[C@H](O[C@]4(O1)C)S[C@@H]([C@H]3C56CC6)O2
InChI: InChI=1S/C13H16O3S/c1-11-5-6-8-10(15-12(6,2)16-11)17-9(14-11)7(5)13(8)3-4-13/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8+,9-,10+,11+,12-/m0/s1
SMILES: CC(=O)[C@H]1[C@@H](C(=C(C[C@]1(C)O)O)C(=O)C)C2=CC=C(C=C2)F
InChI: InChI=1S/C17H19FO4/c1-9(19)14-13(21)8-17(3,22)16(10(2)20)15(14)11-4-6-12(18)7-5-11/h4-7,15-16,21-22H,8H2,1-3H3/t15-,16+,17+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)N7N1C(=O)N(C7=O)C8=CC=CC=C8
InChI: InChI=1S/C36H26Cl2FN5O5/c37-21-8-6-20(7-9-21)36-28(32(46)43(33(36)47)40-23-12-10-22(39)11-13-23)19-30-27(31(36)26-15-14-25(45)18-29(26)38)16-17-41-34(48)42(35(49)44(30)41)24-4-2-1-3-5-24/h1-16,18,28,30-31,40,45H,17,19H2/t28-,30+,31-,36+/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)/C=C/C4=CC=CC=C4)C
InChI: InChI=1S/C19H23NO3S/c1-18(2)15-10-11-19(18)13-24(22,23)20(16(19)12-15)17(21)9-8-14-6-4-3-5-7-14/h3-9,15-16H,10-13H2,1-2H3/b9-8+/t15-,16-,19-/m1/s1
SMILES: COCC1=CC=CC(=C1)C[C@@H](/C=C/[C@H]2C=CC(=O)[C@@H]2CCSCCCC(=O)OC)O
InChI: InChI=1S/C24H32O5S/c1-28-17-19-6-3-5-18(15-19)16-21(25)10-8-20-9-11-23(26)22(20)12-14-30-13-4-7-24(27)29-2/h3,5-6,8-11,15,20-22,25H,4,7,12-14,16-17H2,1-2H3/b10-8+/t20-,21+,22+/m0/s1
SMILES: C1=CC=C2C(=C1)N=NN2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C12H15N3O5/c16-5-8-9(17)10(18)11(19)12(20-8)15-7-4-2-1-3-6(7)13-14-15/h1-4,8-12,16-19H,5H2/t8-,9-,10+,11-,12-/m1/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)C3=CC4=CC[C@H]5[C@@H]6CC[C@@H]([C@]6(CC[C@@H]5[C@]4(CC3)C)C)OC(=O)C
InChI: InChI=1S/C31H37NO2/c1-19-17-25(23-7-5-6-8-28(23)32-19)21-13-15-30(3)22(18-21)9-10-24-26-11-12-29(34-20(2)33)31(26,4)16-14-27(24)30/h5-9,17-18,24,26-27,29H,10-16H2,1-4H3/t24-,26-,27-,29-,30-,31-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1[C@H](CCC2=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H46O3Si2/c1-21(2,3)27(8,9)25-17-14-15-23(7)18(16-17)19(12-13-20(23)24)26-28(10,11)22(4,5)6/h17-19H,12-16H2,1-11H3/t17-,18-,19-,23-/m0/s1
SMILES: C[C@@H]([C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O
InChI: InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21?,22+,23?,24?,25+,26-,27+/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](CCCCCCCC(=O)O)OC)(C)C)OC)OCO2)O)OC)C
InChI: InChI=1S/C32H57NO11/c1-19-17-32(40-8,44-21(3)20(19)2)27(36)29(37)33-30-26-25(41-18-42-30)28(39-7)31(4,5)23(43-26)16-22(38-6)14-12-10-9-11-13-15-24(34)35/h19-23,25-28,30,36H,9-18H2,1-8H3,(H,33,37)(H,34,35)/t19?,20-,21-,22-,23-,25+,26+,27-,28-,30-,32-/m1/s1
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@H]([C@@H](O4)C)C)O.CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
InChI: InChI=1S/C22H26O5.C15H14N4O/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19;1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h8-12,18,24H,6-7H2,1-5H3;2-3,6-8,10H,4-5H2,1H3,(H,18,20)/t11-,12-,18-;/m0./s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H27N3OS/c1-15-7-5-6-10-17(15)20-19(24)22-13-11-21(12-14-22)18(23)16-8-3-2-4-9-16/h2-4,8-9,15,17H,5-7,10-14H2,1H3,(H,20,24)/t15-,17+/m1/s1
SMILES: COCCOC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC=C
InChI: InChI=1S/C42H41N3O9/c1-3-21-43-38(47)33-35-39(48)54-36(28-15-8-5-9-16-28)34(27-13-6-4-7-14-27)45(35)37(29-17-12-18-30(26-29)52-23-22-46)42(33)31-19-10-11-20-32(31)44(40(42)49)41(50)53-25-24-51-2/h3-20,26,33-37,46H,1,21-25H2,2H3,(H,43,47)/t33-,34-,35-,36+,37+,42-/m1/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@H]([C@H](O[13C@@H]1OC)CO)O)O
InChI: InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6+,7+,8-,9+/m1/s1/i9+1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC
InChI: InChI=1S/C20H26N4O3S/c1-12-7-6-10-16(13(12)2)24-18(26)14-8-4-5-9-15(14)22-20(24)28-11-17(25)23-19(27)21-3/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H2,21,23,25,27)/t12-,13+,16+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=COC7=C(C6)C=C(C=C7)O)C(=O)N(C5=O)O)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C36H29Cl2N3O8/c1-48-22-6-2-19(3-7-22)36-26(33(44)40(35(36)46)39-28-10-4-20(37)14-27(28)38)15-25-23(8-9-24-30(25)34(45)41(47)32(24)43)31(36)18-12-17-13-21(42)5-11-29(17)49-16-18/h2-8,10-11,13-14,16,24-26,30-31,39,42,47H,9,12,15H2,1H3/t24-,25+,26-,30-,31-,36+/m0/s1
SMILES: C/C(=C/CO)/CC[C@@H]1[C@]2(CC[C@H]3[C@]([C@@H]2CC[C@@]1(C)O)(CCCC3(C)C)C)C
InChI: InChI=1S/C25H44O2/c1-18(12-17-26)8-9-21-24(5)15-10-19-22(2,3)13-7-14-23(19,4)20(24)11-16-25(21,6)27/h12,19-21,26-27H,7-11,13-17H2,1-6H3/b18-12-/t19-,20+,21-,23-,24+,25-/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@@H]([C@H](O3)C5=C(C=C(C=C5)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C26H14BrCl2NO5/c27-12-5-8-14(9-6-12)30-24(33)19-20(25(30)34)26(22(31)15-3-1-2-4-16(15)23(26)32)35-21(19)17-10-7-13(28)11-18(17)29/h1-11,19-21H/t19-,20-,21+/m0/s1
SMILES: CC(C)C[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC(=O)NCCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C=C2)C(=O)NO
InChI: InChI=1S/C39H60N8O15/c1-25(2)17-29-28(38(59)44-61)5-3-16-62-27-8-6-26(7-9-27)18-30(43-37(29)58)39(60)42-19-31(48)40-10-4-11-41-32(49)20-45(12-14-46(21-33(50)51)22-34(52)53)13-15-47(23-35(54)55)24-36(56)57/h6-9,25,28-30,61H,3-5,10-24H2,1-2H3,(H,40,48)(H,41,49)(H,42,60)(H,43,58)(H,44,59)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/t28-,29+,30-/m0/s1
SMILES: CN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=C(C=C6)SC)OCC=C)CCCCO)CCCCO)C(=O)CC7=CC(=CC=C7)OC
InChI: InChI=1S/C49H62N2O9S/c1-5-26-57-49-44(51(2)45(54)29-33-13-12-15-36(28-33)55-3)32-42(50-60-46-17-8-11-27-56-46)40-30-34(14-6-9-24-52)39(16-7-10-25-53)47(48(40)49)41-31-37(20-23-43(41)59-49)58-35-18-21-38(61-4)22-19-35/h5,12-13,15,18-23,28,30-31,34,39,44,46-48,52-53H,1,6-11,14,16-17,24-27,29,32H2,2-4H3/t34-,39+,44-,46?,47+,48+,49+/m0/s1
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)SC5=CC=CC=C5)O)O)O
InChI: InChI=1S/C31H30O5S/c32-27-26(36-30(29(34)28(27)33)37-25-19-11-4-12-20-25)21-35-31(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-30,32-34H,21H2/t26-,27+,28+,29-,30+/m1/s1
SMILES: CC(=O)[C@H]1[C@@H](C[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)CO)O)O)O)C)C)C6=C(C=CC(=C6)OC)OC
InChI: InChI=1S/C35H50O9/c1-18(37)29-24(23-15-20(41-4)7-9-27(23)42-5)16-26-22-8-6-19-14-21(10-12-34(19,2)25(22)11-13-35(26,29)3)43-33-32(40)31(39)30(38)28(17-36)44-33/h6-7,9,15,21-22,24-26,28-33,36,38-40H,8,10-14,16-17H2,1-5H3/t21-,22+,24-,25-,26-,28+,29-,30+,31-,32-,33+,34-,35-/m0/s1
SMILES: CC1=C(C=CC(=C1)OCCCNC(C)CC(=O)N)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C
InChI: InChI=1S/C27H42N4O8/c1-14(2)22-19(26(31-30-22)39-27-25(36)24(35)23(34)20(13-32)38-27)12-17-6-7-18(10-15(17)3)37-9-5-8-29-16(4)11-21(28)33/h6-7,10,14,16,20,23-25,27,29,32,34-36H,5,8-9,11-13H2,1-4H3,(H2,28,33)(H,30,31)/t16?,20-,23-,24+,25-,27+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C3=C(C(=C(C=C3O2)OC)OS(=O)(=O)C(F)(F)F)CC=C)C4=CC(=CC(=C4)OC)OC
InChI: InChI=1S/C28H27F3O8S/c1-6-7-21-25-22(15-23(37-5)27(21)39-40(32,33)28(29,30)31)38-26(16-8-10-18(34-2)11-9-16)24(25)17-12-19(35-3)14-20(13-17)36-4/h6,8-15,24,26H,1,7H2,2-5H3/t24-,26+/m0/s1
SMILES: C1=CC(=C(C(=C1)O)O)/C=C/C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)CO
InChI: InChI=1S/C35H46O21/c36-11-19-24(44)26(46)28(48)33(51-19)55-31-30(54-22(42)7-5-15-2-1-3-17(40)23(15)43)21(13-38)53-35(50-9-8-14-4-6-16(39)18(41)10-14)32(31)56-34-29(49)27(47)25(45)20(12-37)52-34/h1-7,10,19-21,24-41,43-49H,8-9,11-13H2/b7-5+/t19-,20-,21-,24-,25-,26+,27+,28-,29-,30-,31+,32-,33+,34+,35-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC(=O)CNC(=O)C2=CC=CC(=C2)C
InChI: InChI=1S/C20H28N2O4/c1-13-7-6-9-16(11-13)20(25)21-12-18(23)26-15(3)19(24)22-17-10-5-4-8-14(17)2/h6-7,9,11,14-15,17H,4-5,8,10,12H2,1-3H3,(H,21,25)(H,22,24)/t14-,15-,17-/m0/s1
SMILES: CCOC(=O)C1C[C@@H]2C[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4C=CC3=CC2=CC1=O)CC[C@@]56CCC(=O)O6)C)C
InChI: InChI=1S/C29H36O5/c1-4-33-26(32)21-14-18-16-27(2)19(13-17(18)15-24(21)30)5-6-20-22(27)7-10-28(3)23(20)8-11-29(28)12-9-25(31)34-29/h5-6,13,15,18,20-23H,4,7-12,14,16H2,1-3H3/t18-,20-,21?,22+,23+,27+,28+,29-/m1/s1
SMILES: COC1=C(C=CC(=C1)N2CCN(CC2)C[C@@H]3C[C@H]3C4=CC=CC=C4)I
InChI: InChI=1S/C21H25IN2O/c1-25-21-14-18(7-8-20(21)22)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m0/s1
SMILES: CCCCC1=CC(=C(C2=C1C[C@H]3C[C@H]4[C@@H](C(=O)C(C(=O)[C@]4(C(=O)C3C2=O)O)C(=O)N)N(C)C)O)CN
InChI: InChI=1S/C26H33N3O7/c1-4-5-6-11-7-13(10-27)20(30)17-14(11)8-12-9-15-19(29(2)3)22(32)18(25(28)35)24(34)26(15,36)23(33)16(12)21(17)31/h7,12,15-16,18-19,30,36H,4-6,8-10,27H2,1-3H3,(H2,28,35)/t12-,15-,16?,18?,19-,26-/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)C4=CC=CC=C4CNC(=O)C)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7
InChI: InChI=1S/C41H46N4O5/c1-28-37(25-44-22-20-41(21-23-44)40(48)43-27-45(41)35-9-4-3-5-10-35)49-39(50-38(28)32-14-12-30(26-46)13-15-32)33-18-16-31(17-19-33)36-11-7-6-8-34(36)24-42-29(2)47/h3-19,28,37-39,46H,20-27H2,1-2H3,(H,42,47)(H,43,48)/t28-,37+,38+,39+/m1/s1
SMILES: C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]([C@@H](C(=O)NCC(=O)O)O)O
InChI: InChI=1S/C12H21NO10/c14-3-6-10(20)11(21)9(19)5(23-6)1-4(15)8(18)12(22)13-2-7(16)17/h4-6,8-11,14-15,18-21H,1-3H2,(H,13,22)(H,16,17)/t4-,5-,6-,8+,9-,10-,11-/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC(=O)C(C3=CC=CC=C3)NC(=O)OC(C)(C)C)O)C
InChI: InChI=1S/C25H29N3O5/c1-24(2,3)33-23(31)28-19(16-9-7-6-8-10-16)22(30)27-20-17-13-15(14-26)11-12-18(17)32-25(4,5)21(20)29/h6-13,19-21,29H,1-5H3,(H,27,30)(H,28,31)/t19?,20-,21+/m1/s1
SMILES: C[C@H]1[C@@](O1)(C#CC(C/C=C/C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H24O/c1-22-27(28-22,26-18-9-4-10-19-26)21-20-25(24-15-7-3-8-16-24)17-11-14-23-12-5-2-6-13-23/h2-16,18-19,22,25H,17H2,1H3/b14-11+/t22-,25?,27-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Br)O)C(=O)N(C4=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C41H34BrClFN5O5/c1-41-31(38(52)49(40(41)54)26-13-16-33(44)32(43)19-26)20-29-27(36(41)30-18-21(42)4-17-34(30)50)14-15-28-35(29)39(53)48(37(28)51)25-11-7-23(8-12-25)46-45-22-5-9-24(10-6-22)47(2)3/h4-14,16-19,28-29,31,35-36,50H,15,20H2,1-3H3/t28-,29+,31-,35-,36+,41+/m0/s1
SMILES: CC[C@@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@@H]3[C@H](C[C@H]([C@@]4(O3)C=CC[C@]5(O4)[C@@H](C[C@](O5)(CC)[C@@H](CC/C(=C/C)/C)O)C)C)C
InChI: InChI=1S/C44H66O5Si/c1-11-32(4)25-26-39(45)42(13-3)30-35(7)44(48-42)28-20-27-43(49-44)34(6)29-33(5)40(47-43)36(12-2)31-46-50(41(8,9)10,37-21-16-14-17-22-37)38-23-18-15-19-24-38/h11,14-24,27,33-36,39-40,45H,12-13,25-26,28-31H2,1-10H3/b32-11+/t33-,34+,35+,36-,39+,40-,42+,43+,44-/m0/s1
SMILES: CC(=O)CC(=O)C1=C(C=C2C=CC=C(C2=C1O)O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)([O-])[O-])O
InChI: InChI=1S/C37H48N7O21P3S/c1-18(45)11-22(47)27-20(12-19-5-4-6-21(46)26(19)29(27)50)13-25(49)69-10-9-39-24(48)7-8-40-35(53)32(52)37(2,3)15-62-68(59,60)65-67(57,58)61-14-23-31(64-66(54,55)56)30(51)36(63-23)44-17-43-28-33(38)41-16-42-34(28)44/h4-6,12,16-17,23,30-32,36,46,50-52H,7-11,13-15H2,1-3H3,(H,39,48)(H,40,53)(H,57,58)(H,59,60)(H2,38,41,42)(H2,54,55,56)/p-4/t23-,30-,31-,32-,36-/m1/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)C)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7)O
InChI: InChI=1S/C33H33Cl2N3O7/c1-3-45-25-16-18(4-11-24(25)39)27-21-9-10-22-26(23(21)17-32(34)30(42)36(2)31(43)33(27,32)35)29(41)38(28(22)40)20-7-5-19(6-8-20)37-12-14-44-15-13-37/h4-9,11,16,22-23,26-27,39H,3,10,12-15,17H2,1-2H3/t22-,23+,26-,27-,32+,33-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)COC2=CC(=C(C=C2)C)C
InChI: InChI=1S/C20H28N2O5/c1-13-8-9-16(10-15(13)3)26-12-19(24)27-11-18(23)22-20(25)21-17-7-5-4-6-14(17)2/h8-10,14,17H,4-7,11-12H2,1-3H3,(H2,21,22,23,25)/t14-,17+/m0/s1
SMILES: C1[C@@H]([C@H](CN1)CN(CC2=CC=CC3=C2C=CC(=C3)C#N)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5
InChI: InChI=1S/C30H28ClN3/c31-28-10-12-29(13-11-28)34(20-25-8-4-7-24-16-23(17-32)9-14-30(24)25)21-27-19-33-18-26(27)15-22-5-2-1-3-6-22/h1-14,16,26-27,33H,15,18-21H2/t26-,27+/m0/s1
SMILES: C[C@H](C(=O)NC)NC(=O)[C@@H]1CC2=CC=C(C=C2)OCCC[C@@H]([C@H](C(=O)N1)CC(C)C)C(=O)NO
InChI: InChI=1S/C24H36N4O6/c1-14(2)12-19-18(23(31)28-33)6-5-11-34-17-9-7-16(8-10-17)13-20(27-22(19)30)24(32)26-15(3)21(29)25-4/h7-10,14-15,18-20,33H,5-6,11-13H2,1-4H3,(H,25,29)(H,26,32)(H,27,30)(H,28,31)/t15-,18+,19-,20+/m1/s1
SMILES: CC1=CC(=O)[C@@]2([C@H](C1=O)CC=C([C@@H]2C3=CC(=C(C=C3)O)C)C=C)C
InChI: InChI=1S/C21H22O3/c1-5-14-6-8-16-20(24)13(3)11-18(23)21(16,4)19(14)15-7-9-17(22)12(2)10-15/h5-7,9-11,16,19,22H,1,8H2,2-4H3/t16-,19+,21-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)NC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C16H12Cl2N2O3/c17-10-4-3-9(6-11(10)18)14(21)19-20-15(22)12-7-1-2-8(5-7)13(12)16(20)23/h1-4,6-8,12-13H,5H2,(H,19,21)/t7-,8+,12+,13-
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)O)O)O)O)O
InChI: InChI=1S/C20H18O11/c21-8-3-1-7(2-4-8)17-18(30-20-16(27)14(25)15(26)19(28)31-20)13(24)12-10(23)5-9(22)6-11(12)29-17/h1-6,14-16,19-23,25-28H/t14-,15-,16+,19-,20+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC34CC5CC(C3)CC(C5)C4)C(=O)N[C@H](C)C6=CC=CC=C6)O)C7=C(C=C(C[C@H](CC1)O)C=C7)C(=O)C8=CC=CC=C8)C
InChI: InChI=1S/C49H62N2O4/c1-33-11-10-21-47(3)44(42-19-17-35(26-41(52)18-16-33)27-43(42)45(53)40-14-8-5-9-15-40)20-22-49(47,55)32-51(46(54)50-34(2)39-12-6-4-7-13-39)31-48-28-36-23-37(29-48)25-38(24-36)30-48/h4-9,11-15,17,19,27,34,36-38,41,44,52,55H,10,16,18,20-26,28-32H2,1-3H3,(H,50,54)/t34-,36?,37?,38?,41+,44+,47+,48?,49-/m1/s1