EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)C(C)CC4CC[C@H]([C@@H](C4)OC)O)C)C)O)OC)C)C)C)OC
InChI: InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/t30-,32-,33?,34-,36-,37?,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
SMILES: CC1=NN2[C@@H]([C@H]3C(=O)C[C@@H](C=C3NC2=N1)C4=CC=CC=C4)C5=CC(=CC(=C5)F)F
InChI: InChI=1S/C22H18F2N4O/c1-12-25-22-26-18-9-14(13-5-3-2-4-6-13)10-19(29)20(18)21(28(22)27-12)15-7-16(23)11-17(24)8-15/h2-9,11,14,20-21H,10H2,1H3,(H,25,26,27)/t14-,20-,21-/m1/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@@H]4C[NH+]5CC[NH+](CC5)C6=CC=CC=C6)C
InChI: InChI=1S/C25H34N2O3/c1-17-7-6-10-24(2)15-20-21(22-25(17,24)30-22)19(23(28)29-20)16-26-11-13-27(14-12-26)18-8-4-3-5-9-18/h3-5,8-9,17,19-22H,6-7,10-16H2,1-2H3/p+2/t17-,19+,20+,21+,22-,24+,25-/m0/s1
SMILES: CCC(=O)N1CC[C@H]([C@H](C1)N(C)C2=NC=NC3=C2C(=CN3)F)C
InChI: InChI=1S/C16H22FN5O/c1-4-13(23)22-6-5-10(2)12(8-22)21(3)16-14-11(17)7-18-15(14)19-9-20-16/h7,9-10,12H,4-6,8H2,1-3H3,(H,18,19,20)/t10-,12+/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)NC34CC5CC(C3)CC(C5)C4)N6C=NC7=C(N=CN=C76)N)C
InChI: InChI=1S/C23H30N6O4/c1-22(2)32-15-16(20(30)28-23-6-11-3-12(7-23)5-13(4-11)8-23)31-21(17(15)33-22)29-10-27-14-18(24)25-9-26-19(14)29/h9-13,15-17,21H,3-8H2,1-2H3,(H,28,30)(H2,24,25,26)/t11?,12?,13?,15-,16+,17-,21-,23?/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)C4[C@@]3(C[C@H]([C@H](C4)O)OC)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
InChI: InChI=1S/C29H50O6/c1-15(2)16(3)25(31)26(32)17(4)19-8-9-20-18-14-35-27(33)22-12-23(30)24(34-7)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-32H,8-14H2,1-7H3/t16-,17-,18-,19+,20-,21-,22?,23-,24+,25+,26+,28+,29+/m0/s1
SMILES: CC[C@H](C)[C@@H](C(=O)O[C@H]1[C@@H](C(C(=C)[C@@]2([C@@]1([C@@H](C[C@H]2OC(=O)/C(=C/C)/C)C3=COC=C3)C)O)[C@]4([C@H](C[C@]5(OC[C@@]([C@@H]4CC(=O)OC)(O5)C)O)OC(=O)C)C)OC=O)O
InChI: InChI=1S/C41H56O16/c1-11-21(3)32(45)36(47)56-34-33(52-20-42)31(38(8)27(16-30(44)50-10)37(7)19-53-40(48,57-37)17-29(38)54-24(6)43)23(5)41(49)28(55-35(46)22(4)12-2)15-26(39(34,41)9)25-13-14-51-18-25/h12-14,18,20-21,26-29,31-34,45,48-49H,5,11,15-17,19H2,1-4,6-10H3/b22-12+/t21-,26-,27-,28+,29-,31?,32-,33+,34-,37-,38+,39+,40+,41+/m0/s1
SMILES: COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CCC4=CC=CC=N4)C(=O)N5CCCC5)CN1C(=O)C6=CC=CC=C6)CC7=CC=CC=C7
InChI: InChI=1S/C37H38N4O4/c1-45-36(44)37(24-26-12-4-2-5-13-26)33-28(25-41(37)34(42)27-14-6-3-7-15-27)22-31-30(33)23-32(35(43)39-19-10-11-20-39)40(31)21-17-29-16-8-9-18-38-29/h2-9,12-16,18,23,28,33H,10-11,17,19-22,24-25H2,1H3/t28-,33+,37+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C[C@@H]3C[C@H]([C@H]2N)C(=O)O3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H29NO12/c1-8(23)28-7-15-17(29-9(2)24)18(30-10(3)25)19(31-11(4)26)21(34-15)33-14-6-12-5-13(16(14)22)20(27)32-12/h12-19,21H,5-7,22H2,1-4H3/t12-,13+,14-,15+,16+,17+,18-,19+,21+/m0/s1
SMILES: C1[C@@H]2C[C@H]([C@H]1C=C2)C(=O)OCC(=O)NC3=CC=CC=C3Br
InChI: InChI=1S/C16H16BrNO3/c17-13-3-1-2-4-14(13)18-15(19)9-21-16(20)12-8-10-5-6-11(12)7-10/h1-6,10-12H,7-9H2,(H,18,19)/t10-,11+,12-/m1/s1
SMILES: CC(C)CC(=O)N(CC1=CC=C(C=C1)F)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C29H36FIN2O7/c1-17(2)10-26(36)33(15-18-4-6-21(30)7-5-18)23-13-20(29(38)32-8-9-34)14-24(27(23)37)40-28-22(31)11-19(16-35)12-25(28)39-3/h4-7,11-12,14,17,23-24,27,34-35,37H,8-10,13,15-16H2,1-3H3,(H,32,38)/t23-,24+,27+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(OCCC#N)Cl
InChI: InChI=1S/C34H35ClN3O8P/c1-23-21-38(33(40)37-32(23)39)31-20-29(46-47(35)44-19-7-18-36)30(45-31)22-43-34(24-8-5-4-6-9-24,25-10-14-27(41-2)15-11-25)26-12-16-28(42-3)17-13-26/h4-6,8-17,21,29-31H,7,19-20,22H2,1-3H3,(H,37,39,40)/t29-,30+,31+,47?/m0/s1
SMILES: C[C@H]1[C@H]2C[C@@H]3CCC[C@H]([C@H]2CO[Si](C)(C)C(C)(C)C)[C@@H]3C1=O
InChI: InChI=1S/C19H34O2Si/c1-12-15-10-13-8-7-9-14(17(13)18(12)20)16(15)11-21-22(5,6)19(2,3)4/h12-17H,7-11H2,1-6H3/t12-,13-,14+,15+,16+,17+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)[O-])O)O
InChI: InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/p-1/t7-,8+,9+,10+,11+,13-/m0/s1
SMILES: CC(C)COC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C23H24N2O4/c1-14(2)13-29-23(26)16-9-10-21-20(12-16)18-7-4-8-19(18)22(24-21)15-5-3-6-17(11-15)25(27)28/h3-7,9-12,14,18-19,22,24H,8,13H2,1-2H3/t18-,19+,22+/m1/s1
SMILES: CCOC1=CC=CC2=C1O[C@]3([C@@H]([C@@H]2NC(=S)N3C4=CC=CC=C4)C(=O)OC)C
InChI: InChI=1S/C21H22N2O4S/c1-4-26-15-12-8-11-14-17-16(19(24)25-3)21(2,27-18(14)15)23(20(28)22-17)13-9-6-5-7-10-13/h5-12,16-17H,4H2,1-3H3,(H,22,28)/t16-,17+,21-/m0/s1
SMILES: C[C@]1([C@@H](C(=O)N1C2=CC=C(C=C2)OC)OCC3=CC=CC=C3)[C@H](CC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H41NO4Si/c1-31(2,3)38(6,7)37-28(22-24-14-10-8-11-15-24)32(4)29(36-23-25-16-12-9-13-17-25)30(34)33(32)26-18-20-27(35-5)21-19-26/h8-21,28-29H,22-23H2,1-7H3/t28-,29+,32+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C33H54O6/c1-20(2)10-9-11-21(3)27-12-13-28-26-18-30(38-23(5)35)33(39-24(6)36)19-25(37-22(4)34)14-17-32(33,8)29(26)15-16-31(27,28)7/h20-21,25-30H,9-19H2,1-8H3/t21-,25+,26-,27-,28-,29-,30-,31-,32-,33+/m1/s1
SMILES: C[C@H]1C[C@@]([C@H](C[NH+]1C)C)(C2=C(C=C(C=C2C)C)C)O
InChI: InChI=1S/C17H27NO/c1-11-7-12(2)16(13(3)8-11)17(19)9-15(5)18(6)10-14(17)4/h7-8,14-15,19H,9-10H2,1-6H3/p+1/t14-,15-,17+/m0/s1
SMILES: CO/N=C(\C1=NSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-].Cl
InChI: InChI=1S/C19H17N9O5S2.ClH/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);1H/b24-11+;/t12-,17-;/m1./s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=C(C=C5)O)C(=O)N(C4=O)CCC6=CC=C(C=C6)O
InChI: InChI=1S/C31H27NO6/c1-16-14-25(35)28-24(29(16)36)15-23-21(26(28)18-4-8-20(34)9-5-18)10-11-22-27(23)31(38)32(30(22)37)13-12-17-2-6-19(33)7-3-17/h2-10,14,22-23,26-27,33-34H,11-13,15H2,1H3/t22-,23+,26-,27-/m0/s1
SMILES: CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C21H31N3O2/c1-15(2)23-21(26)22-13-16-7-9-18(10-8-16)20(25)24-12-11-17-5-3-4-6-19(17)14-24/h7-10,15,17,19H,3-6,11-14H2,1-2H3,(H2,22,23,26)/t17-,19+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N(C)C)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)C)O)O
InChI: InChI=1S/C35H43NO13/c1-14-29(39)20(38)11-24(46-14)49-34-15(2)47-23(10-19(34)36(4)5)48-22-13-35(44,16(3)37)12-18-26(22)33(43)28-27(31(18)41)30(40)17-8-7-9-21(45-6)25(17)32(28)42/h7-9,14-15,19-20,22-24,29,34,38-39,41,43-44H,10-13H2,1-6H3/t14-,15-,19-,20-,22-,23-,24-,29+,34+,35-/m0/s1
SMILES: COC1=C(C=CC(=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O
InChI: InChI=1S/C14H18O9/c1-21-8-4-6(2-3-7(8)15)13(19)22-5-9-10(16)11(17)12(18)14(20)23-9/h2-4,9-12,14-18,20H,5H2,1H3/t9-,10-,11+,12-,14?/m1/s1
SMILES: C[C@@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@]4([C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C27H48O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20-,21+,22-,23-,24+,25+,26+,27+/m0/s1
SMILES: CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1C2=CC3=C(C=C2)OCCO3)C(=O)O)C4=CC5=C(C(=C4)OC)OCO5
InChI: InChI=1S/C31H42N2O9S/c1-4-6-7-15-43(36,37)33(10-5-2)12-11-32-19-23(22-17-26(38-3)30-27(18-22)41-20-42-30)28(31(34)35)29(32)21-8-9-24-25(16-21)40-14-13-39-24/h8-9,16-18,23,28-29H,4-7,10-15,19-20H2,1-3H3,(H,34,35)/t23-,28-,29+/m1/s1
SMILES: CCCCCCCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI: InChI=1S/C21H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-16-19(24)21(26)20(25)18(22)17-23/h18-21,23-26H,2-17H2,1H3/t18-,19+,20-,21-/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N/N=C\2/C[C@@H]3[C@@H]2CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H22N4O4S/c1-3-20(4-2)26(24,25)13-8-9-15(17(11-13)21(22)23)18-19-16-10-12-6-5-7-14(12)16/h5-6,8-9,11-12,14,18H,3-4,7,10H2,1-2H3/b19-16-/t12-,14+/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI: InChI=1S/C13H16N2O5S/c1-8-6-11(8)13(17)20-7-12(16)15-9-2-4-10(5-3-9)21(14,18)19/h2-5,8,11H,6-7H2,1H3,(H,15,16)(H2,14,18,19)/t8-,11+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4C)C
InChI: InChI=1S/C21H25N3O5/c1-4-27-21(26)16-9-15(16)11-24(20(25)17-7-13(2)22-23(17)3)10-14-5-6-18-19(8-14)29-12-28-18/h5-8,15-16H,4,9-12H2,1-3H3/t15-,16-/m1/s1
SMILES: CCO[C@@H]1C=C[C@H]([C@H](O1)COCC2=CC=CC=C2)SC3=NC4=CC=CC=C4S3
InChI: InChI=1S/C22H23NO3S2/c1-2-25-21-13-12-20(28-22-23-17-10-6-7-11-19(17)27-22)18(26-21)15-24-14-16-8-4-3-5-9-16/h3-13,18,20-21H,2,14-15H2,1H3/t18-,20-,21+/m1/s1
SMILES: C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@@H](C4)C(=C)C5)C(=O)O)OC2=O)O.C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@@H](C4)C(=C)C5)C(=O)O)OC2=O)O
InChI: InChI=1S/C19H24O5.C19H22O5/c2*1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22);5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t2*10-,11+,12-,13+,14+,17+,18-,19+/m00/s1
SMILES: CC1=C2C(=CC=C1)[C@@H]3[C@@H](CCCO3)[C@@H](N2)C4=CC=CC=C4
InChI: InChI=1S/C19H21NO/c1-13-7-5-10-15-17(13)20-18(14-8-3-2-4-9-14)16-11-6-12-21-19(15)16/h2-5,7-10,16,18-20H,6,11-12H2,1H3/t16-,18-,19+/m0/s1
SMILES: COP(=O)(OC)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCCN)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C31H34NO12P/c1-37-45(36,38-2)40-20-24-25(42-28(33)21-12-6-3-7-13-21)26(43-29(34)22-14-8-4-9-15-22)27(31(41-24)39-19-18-32)44-30(35)23-16-10-5-11-17-23/h3-17,24-27,31H,18-20,32H2,1-2H3/t24-,25-,26+,27+,31+/m1/s1
SMILES: CN1C2CC(CC1[C@@H]3[C@H]2O3)OC(=O)C(COC(=O)C4(C5=CC=CC=C5C6=CC=CC=C64)F)C7=CC=CC=C7.CBr
InChI: InChI=1S/C31H28FNO5.CH3Br/c1-33-25-15-19(16-26(33)28-27(25)38-28)37-29(34)22(18-9-3-2-4-10-18)17-36-30(35)31(32)23-13-7-5-11-20(23)21-12-6-8-14-24(21)31;1-2/h2-14,19,22,25-28H,15-17H2,1H3;1H3/t19?,22?,25?,26?,27-,28+;
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2COCC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H26O11/c1-11-27(37-13(3)29)17(36-12(2)28)8-19(35-11)38-18-10-34-9-16-20(18)26(33)22-21(25(16)32)23(30)14-6-4-5-7-15(14)24(22)31/h4-7,11,17-19,27,32-33H,8-10H2,1-3H3/t11-,17-,18+,19-,27+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
InChI: InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15+,17+,18-,21-/m0/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]6CC[C@H]7C[C@@H]6C7(C)C)C(=O)NC8=CC=CC=C8)O)C(=C5)C(=O)C9=CC=CO9)O)C
InChI: InChI=1S/C44H56N2O5/c1-39(2)29-13-12-28(32(39)23-29)26-46(38(49)45-30-9-6-5-7-10-30)27-43(50)19-16-36-41(43,4)18-15-35-40(3)17-14-31(47)24-42(40)20-21-44(35,36)33(25-42)37(48)34-11-8-22-51-34/h5-11,20-22,25,28-29,31-32,35-36,47,50H,12-19,23-24,26-27H2,1-4H3,(H,45,49)/t28-,29-,31?,32-,35+,36+,40+,41-,42-,43+,44+/m0/s1
SMILES: CC(=CCCC(C)(C=C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
InChI: InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3/t11-,12-,13+,14-,15-,16?/m1/s1
SMILES: C[C@]12C[C@@H]([C@@H]3C4=C(CCC3([C@@H]1CC[C@@H]2O)C=C)C=C(C=C4)O)CCCCC[C@@H](C(C(F)(F)F)(F)F)O
InChI: InChI=1S/C28H37F5O3/c1-3-26-14-13-17-15-19(34)9-10-20(17)24(26)18(16-25(2)21(26)11-12-22(25)35)7-5-4-6-8-23(36)27(29,30)28(31,32)33/h3,9-10,15,18,21-24,34-36H,1,4-8,11-14,16H2,2H3/t18-,21+,22-,23-,24+,25-,26?/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)CCCC[C@H](C(=O)OCC(=O)C4=CC=C(C=C4)Cl)N5C(=O)[C@@H]6[C@@H]7CC[C@@H](C7)[C@@H]6C5=O
InChI: InChI=1S/C32H35ClN2O7/c33-21-10-8-16(9-11-21)23(36)15-42-32(41)22(35-30(39)26-19-6-7-20(14-19)27(26)31(35)40)3-1-2-12-34-28(37)24-17-4-5-18(13-17)25(24)29(34)38/h8-11,17-20,22,24-27H,1-7,12-15H2/t17-,18+,19-,20+,22-,24+,25+,26-,27+/m1/s1
SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CC[C@H]([C@@]4(C)O)O
InChI: InChI=1S/C18H16O5/c1-8-7-23-17-10-3-5-11-9(4-6-12(19)18(11,2)22)14(10)16(21)15(20)13(8)17/h3,5,7,12,19,22H,4,6H2,1-2H3/t12-,18+/m1/s1
SMILES: CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)C)O)C
InChI: InChI=1S/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3/t19?,20?,21-,22?,23-,24?,25?,26?,27?,28+,29-,30+,31-,32-,33?,34+,35-,38?,39?,40?,41?/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@](C)(CC2=CC=CC=C2)O)C(C)C
InChI: InChI=1S/C20H30O3/c1-14(2)17-11-10-15(3)12-18(17)23-19(21)20(4,22)13-16-8-6-5-7-9-16/h5-9,14-15,17-18,22H,10-13H2,1-4H3/t15-,17+,18-,20-/m1/s1
SMILES: C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C27H40O4/c1-17(7-6-12-25(2,3)31-30)20-8-9-21-19-16-24(29)23-15-18(28)10-13-27(23,5)22(19)11-14-26(20,21)4/h6,12,15,17,19-22,30H,7-11,13-14,16H2,1-5H3/b12-6+/t17-,19+,20-,21+,22+,26-,27-/m1/s1
SMILES: CN1C2=CC=CC=C2C3=C1[C@@H]4[C@H]([C@H](ON4CC3)C=C)NC(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C24H25N3O3/c1-3-20-21(25-24(28)29-15-16-9-5-4-6-10-16)23-22-18(13-14-27(23)30-20)17-11-7-8-12-19(17)26(22)2/h3-12,20-21,23H,1,13-15H2,2H3,(H,25,28)/t20-,21+,23+/m1/s1
SMILES: COC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C43H31F6NO6/c1-56-33-14-8-13-29(38(33)53)36-27-15-16-28-35(40(55)50(39(28)54)26-18-24(42(44,45)46)17-25(19-26)43(47,48)49)31(27)20-32-37(52)30(22-9-4-2-5-10-22)21-34(51)41(32,36)23-11-6-3-7-12-23/h2-15,17-19,21,28,31-32,35-36,53H,16,20H2,1H3/t28-,31+,32-,35-,36+,41-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)O
InChI: InChI=1S/C17H17NO4/c1-2-10-3-5-11(6-4-10)18-9-17-8-7-12(22-17)13(16(20)21)14(17)15(18)19/h3-8,12-14H,2,9H2,1H3,(H,20,21)/t12-,13+,14+,17-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1CCC2=NNC(=O)C4=CN=CC=C4)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C24H27N3O2/c1-24-11-10-19-18-7-5-17(28)13-15(18)4-6-20(19)21(24)8-9-22(24)26-27-23(29)16-3-2-12-25-14-16/h2-3,5,7,12-14,19-21,28H,4,6,8-11H2,1H3,(H,27,29)/t19-,20+,21+,24-/m1/s1
SMILES: CC1=C(OC=C1)C[C@@H]2[C@]3(CCCC(C3CC[C@@]2(C)O)(C)C)C
InChI: InChI=1S/C20H32O2/c1-14-8-12-22-15(14)13-17-19(4)10-6-9-18(2,3)16(19)7-11-20(17,5)21/h8,12,16-17,21H,6-7,9-11,13H2,1-5H3/t16?,17-,19+,20-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1S/C23H25N3O4/c1-16-7-5-6-14-23(16)21(28)26(22(29)25-23)15-20(27)24-17-10-12-19(13-11-17)30-18-8-3-2-4-9-18/h2-4,8-13,16H,5-7,14-15H2,1H3,(H,24,27)(H,25,29)/t16-,23-/m1/s1
SMILES: CC[Si](CC)(CC)OC1=C(C[C@@](C2=CCC[C@H]1[C@@H]2O)(CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)CO)COCOC5=CC=C(C=C5)OC
InChI: InChI=1S/C44H62O7Si2/c1-8-52(9-2,10-3)51-42-34(31-48-33-49-36-26-24-35(47-7)25-27-36)30-44(32-45,40-23-17-22-39(42)41(40)46)28-29-50-53(43(4,5)6,37-18-13-11-14-19-37)38-20-15-12-16-21-38/h11-16,18-21,23-27,39,41,45-46H,8-10,17,22,28-33H2,1-7H3/t39-,41-,44-/m0/s1
SMILES: CC1[C@H](C(C[C@@H](O1)O[C@@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)OC)O
InChI: InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-20(28)8-10-29(3)26(17-11-24(32)36-15-17)22(31)14-30(21,29)34/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16?,18-,19-,20?,21?,22+,23?,25+,26+,27-,28+,29-,30+/m1/s1
SMILES: CC1=C([C@]2([C@@]1(C3=CC=CC=C3[C@@]2(C(=O)OC)O)C)C)C
InChI: InChI=1S/C17H20O3/c1-10-11(2)16(4)15(10,3)12-8-6-7-9-13(12)17(16,19)14(18)20-5/h6-9,19H,1-5H3/t15-,16-,17-/m0/s1
SMILES: C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O
InChI: InChI=1S/C13H24O11/c14-1-4-8(18)10(20)12(6(3-16)22-4)24-13-11(21)9(19)7(17)5(2-15)23-13/h4-21H,1-3H2/t4-,5+,6+,7-,8-,9-,10+,11+,12+,13-/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@]3([C@@]1(CC4=C(C(=O)O[C@@]4(C3)O)C)C)O2
InChI: InChI=1S/C15H20O4/c1-8-4-5-11-14(18-11)7-15(17)10(6-13(8,14)3)9(2)12(16)19-15/h8,11,17H,4-7H2,1-3H3/t8-,11+,13+,14+,15+/m0/s1
SMILES: CC(=O)N1[C@@H](C=C([C@H]([C@@H]1SC23CC4CC(C2)CC(C4)C3)O)C(C)(C)C)SC56CC7CC(C5)CC(C7)C6
InChI: InChI=1S/C31H47NO2S2/c1-18(33)32-26(35-30-12-19-5-20(13-30)7-21(6-19)14-30)11-25(29(2,3)4)27(34)28(32)36-31-15-22-8-23(16-31)10-24(9-22)17-31/h11,19-24,26-28,34H,5-10,12-17H2,1-4H3/t19?,20?,21?,22?,23?,24?,26-,27-,28+,30?,31?/m1/s1
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O[C@H]2C[C@@H](O[C@@H]2CO)N3C=C(C(=O)NC3=O)F)/C)/C
InChI: InChI=1S/C29H37FN2O6/c1-18(11-12-21-20(3)10-7-13-29(21,4)5)8-6-9-19(2)14-26(34)38-23-15-25(37-24(23)17-33)32-16-22(30)27(35)31-28(32)36/h6,8-9,11-12,14,16,23-25,33H,7,10,13,15,17H2,1-5H3,(H,31,35,36)/b9-6+,12-11+,18-8+,19-14-/t23-,24+,25+/m0/s1
SMILES: CCN(CC)C(=O)O[C@@]1([C@@]2(C(=C)[C@H]([C@H](C1(F)F)O2)Br)C)C(=O)OCC
InChI: InChI=1S/C16H22BrF2NO5/c1-6-20(7-2)13(22)25-15(12(21)23-8-3)14(5)9(4)10(17)11(24-14)16(15,18)19/h10-11H,4,6-8H2,1-3,5H3/t10-,11-,14+,15-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl)ON2C5=CC=CC=C5
InChI: InChI=1S/C23H16Cl2N2O3/c24-15-11-16(25)13-18(12-15)26-22(28)19-20(14-7-3-1-4-8-14)27(30-21(19)23(26)29)17-9-5-2-6-10-17/h1-13,19-21H/t19-,20-,21+/m1/s1
SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/[Sn](C)(C)C)/C)C
InChI: InChI=1S/C23H37O6.3CH3.Sn/c1-13(2)16-11-18-23(7,29-18)10-8-9-14(3)20(26)15(4)21(27)22(5,6)17(24)12-19(25)28-16;;;;/h1,14-18,20,24,26H,8-12H2,2-7H3;3*1H3;/t14-,15+,16-,17-,18-,20-,23+;;;;/m0..../s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)C[NH+](C)CC3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C22H33N3O2/c1-16-8-6-7-13-22(16)19(26)25(20(27)23-22)15-24(5)14-17-9-11-18(12-10-17)21(2,3)4/h9-12,16H,6-8,13-15H2,1-5H3,(H,23,27)/p+1/t16-,22-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H](C=[N+]1[O-])O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C24H53NO5Si3/c1-22(2,3)31(10,11)28-17-18-20(26)21(30-33(14,15)24(7,8)9)19(16-25(18)27)29-32(12,13)23(4,5)6/h16,18-21,26H,17H2,1-15H3/t18-,19+,20-,21-/m1/s1
SMILES: C1C[C@H]([C@@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)O)O2)N(CC4)CC6CC6)N=[N+]=[N-]
InChI: InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)O)C)C)C(=O)NCCCCCCCCCCC(=O)O
InChI: InChI=1S/C41H65NO5/c1-27(2)28-19-22-41(36(47)42-25-15-13-11-9-8-10-12-14-16-33(44)45)24-23-39(6)29(34(28)41)17-18-32-38(5)26-30(43)35(46)37(3,4)31(38)20-21-40(32,39)7/h26,28-29,31-32,34,43H,1,8-25H2,2-7H3,(H,42,47)(H,44,45)/t28-,29+,31-,32+,34+,38-,39+,40+,41-/m0/s1
SMILES: C1=CC(=CC(=C1)F)[C@H]2[C@H](N=C(N2)CC3=CC(=C(C=C3)F)F)C4=CC(=CC=C4)F
InChI: InChI=1S/C22H16F4N2/c23-16-5-1-3-14(11-16)21-22(15-4-2-6-17(24)12-15)28-20(27-21)10-13-7-8-18(25)19(26)9-13/h1-9,11-12,21-22H,10H2,(H,27,28)/t21-,22+
SMILES: CCOC(=O)C1[C@H]2[C@@H]1CC3=C(C2)CC(C3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C29H36O3Si/c1-5-31-28(30)27-25-18-20-16-22(17-21(20)19-26(25)27)32-33(29(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,22,25-27H,5,16-19H2,1-4H3/t22?,25-,26+,27?
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)C)Cl)Cl)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)O
InChI: InChI=1S/C29H24Cl2N2O8/c1-12-9-13(3-8-19(12)34)22-15-6-7-17-21(18(15)11-28(30)26(40)32(2)27(41)29(22,28)31)24(37)33(23(17)36)14-4-5-16(25(38)39)20(35)10-14/h3-6,8-10,17-18,21-22,34-35H,7,11H2,1-2H3,(H,38,39)/t17-,18+,21-,22-,28+,29-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4
InChI: InChI=1S/C19H26N4OS2/c1-12-5-3-6-15(13(12)2)20-17(24)11-26-19-22-21-18(16-7-4-10-25-16)23(19)14-8-9-14/h4,7,10,12-15H,3,5-6,8-9,11H2,1-2H3,(H,20,24)/t12-,13+,15+/m0/s1
SMILES: C1C[C@H]2[C@@H](C1)[C@H]3C[C@@H]2C[C@H]3NCC4=CC=CO4
InChI: InChI=1S/C15H21NO/c1-4-12-10-7-14(13(12)5-1)15(8-10)16-9-11-3-2-6-17-11/h2-3,6,10,12-16H,1,4-5,7-9H2/t10-,12-,13-,14-,15-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2CC[C@@H]1[C@@H](CC2)[NH+]3CCCC3
InChI: InChI=1S/C14H23NO2/c1-10(16)17-14-11-4-6-12(14)13(7-5-11)15-8-2-3-9-15/h11-14H,2-9H2,1H3/p+1/t11-,12+,13+,14-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H]4CCC[NH+]4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C24H24N2O3/c1-14-10-11-17(13-15(14)2)26-23(28)19-18-9-6-12-25(18)21(20(19)24(26)29)22(27)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18-21H,6,9,12H2,1-2H3/p+1/t18-,19+,20+,21-/m0/s1
SMILES: C[C@@H]1CC2=C([C@@H](CC(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C19H19NO6/c1-9-5-12-17(18(22)16(9)19(23)24-2)11(7-15(21)20-12)10-3-4-13-14(6-10)26-8-25-13/h3-4,6,9,11,16H,5,7-8H2,1-2H3,(H,20,21)/t9-,11+,16+/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C6=C(C=CC(=C6)OC(F)(F)F)O)C(=O)N(C5=O)C7=CC=C(C=C7)C(=O)C
InChI: InChI=1S/C37H29F3N2O8/c1-17(43)19-3-7-21(8-4-19)41-33(46)25-13-12-24-26(31(25)35(41)48)16-28-32(30(24)27-15-23(11-14-29(27)45)50-37(38,39)40)36(49)42(34(28)47)22-9-5-20(6-10-22)18(2)44/h3-12,14-15,25-26,28,30-32,45H,13,16H2,1-2H3/t25-,26+,28+,30+,31-,32+/m0/s1
SMILES: CC1(C(=O)C(C12[C@H]3[C@@H](CS2)C(=O)N(C3=O)CC4=CC=CC=C4)(C)C)C
InChI: InChI=1S/C20H23NO3S/c1-18(2)17(24)19(3,4)20(18)14-13(11-25-20)15(22)21(16(14)23)10-12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14+/m1/s1
SMILES: C[C@@H](C#N)OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C14H16N2O4/c1-8(7-15)20-14(19)9(2)16-12(17)10-5-3-4-6-11(10)13(16)18/h3-4,8-11H,5-6H2,1-2H3/t8-,9-,10-,11+/m0/s1
SMILES: C1C[C@@]2([C@H]3C4=CC=CC=C4OC5=C(N3C(=O)O2)C=C(C=C5)Cl)C6=CC=CC=C61
InChI: InChI=1S/C23H16ClNO3/c24-15-9-10-20-18(13-15)25-21(16-6-2-4-8-19(16)27-20)23(28-22(25)26)12-11-14-5-1-3-7-17(14)23/h1-10,13,21H,11-12H2/t21-,23+/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)NC=O
InChI: InChI=1S/C10H13N3O6/c14-3-5-8(17)7(11-4-15)9(19-5)13-2-1-6(16)12-10(13)18/h1-2,4-5,7-9,14,17H,3H2,(H,11,15)(H,12,16,18)/t5-,7+,8-,9-/m1/s1
SMILES: C[C@]1(CC[C@@H]([C@H]([C@H]1C=O)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[Si](C)(C)C(C)(C)C)COCC4=CC=CC=C4
InChI: InChI=1S/C39H56O4Si2/c1-37(2,3)44(8,9)43-36-25-26-39(7,30-41-28-31-19-13-10-14-20-31)35(27-40)34(36)29-42-45(38(4,5)6,32-21-15-11-16-22-32)33-23-17-12-18-24-33/h10-24,27,34-36H,25-26,28-30H2,1-9H3/t34-,35+,36-,39-/m0/s1
SMILES: C[C@@]12[C@@H](O1)C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C16H22O10/c1-16-8(26-16)2-5-6(13(21)22)4-23-14(9(5)16)25-15-12(20)11(19)10(18)7(3-17)24-15/h4-5,7-12,14-15,17-20H,2-3H2,1H3,(H,21,22)/t5-,7-,8+,9-,10-,11+,12-,14+,15+,16+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@H](CO2)CC3=CC4=C(C=C3)OCO4)C=C)O
InChI: InChI=1S/C21H22O5/c1-3-16-15(8-13-4-7-18-20(9-13)26-12-25-18)11-24-21(16)14-5-6-17(22)19(10-14)23-2/h3-7,9-10,15-16,21-22H,1,8,11-12H2,2H3/t15-,16+,21-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl
InChI: InChI=1S/C18H24ClN5OS/c1-11-6-5-9-15(12(11)2)21-16(25)10-26-18-23-22-17(24(18)20)13-7-3-4-8-14(13)19/h3-4,7-8,11-12,15H,5-6,9-10,20H2,1-2H3,(H,21,25)/t11-,12+,15-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)COC2=CC=C(C=C2)F
InChI: InChI=1S/C19H26FNO4/c1-12-5-4-6-17(13(12)2)21-19(23)14(3)25-18(22)11-24-16-9-7-15(20)8-10-16/h7-10,12-14,17H,4-6,11H2,1-3H3,(H,21,23)/t12-,13+,14+,17-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCCCCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C42H54N2O15/c1-25(45)54-24-35-37(56-26(2)46)38(57-27(3)47)39(58-28(4)48)41(59-35)53-22-14-8-6-5-7-13-21-43-36(49)20-19-34(40(50)51)44-42(52)55-23-33-31-17-11-9-15-29(31)30-16-10-12-18-32(30)33/h9-12,15-18,33-35,37-39,41H,5-8,13-14,19-24H2,1-4H3,(H,43,49)(H,44,52)(H,50,51)/t34-,35+,37-,38-,39+,41+/m0/s1