EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COCC3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)Cl
InChI: InChI=1S/C30H39Cl2N3O5Si/c1-30(2,3)41(4,5)39-18-24-27(38-17-21-8-12-23(32)13-9-21)25(19-37-16-20-6-10-22(31)11-7-20)40-28(24)35-15-14-26(33)34-29(35)36/h6-15,24-25,27-28H,16-19H2,1-5H3,(H2,33,34,36)/t24-,25-,27+,28-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=O)OCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5
InChI: InChI=1S/C39H44O3/c1-23(32-15-16-33-31-14-12-28-21-29(40)17-19-38(28,2)34(31)18-20-39(32,33)3)37(41)42-22-27-10-9-26-8-7-24-5-4-6-25-11-13-30(27)36(26)35(24)25/h4-13,23,29,31-34,40H,14-22H2,1-3H3/t23-,29-,31-,32+,33-,34-,38-,39+/m0/s1
SMILES: C[C@@H]1[C@H]2[C@@H](CCN2C(=O)[C@@H]3CCCN3C(=O)C4=CC=CC=C4)N(C1=O)C(=O)C
InChI: InChI=1S/C21H25N3O4/c1-13-18-16(24(14(2)25)19(13)26)10-12-23(18)21(28)17-9-6-11-22(17)20(27)15-7-4-3-5-8-15/h3-5,7-8,13,16-18H,6,9-12H2,1-2H3/t13-,16-,17+,18+/m1/s1
SMILES: CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC=C3C(=C2)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)O)C#C
InChI: InChI=1S/C42H48N6O8S/c1-4-25-13-12-17-29-34(20-31(43-35(25)29)32-23-57-40(44-32)46-36(49)24(2)3)55-28-19-33-37(50)47-42(39(52)53)21-26(42)14-8-6-5-7-9-18-30(38(51)48(33)22-28)45-41(54)56-27-15-10-11-16-27/h1,8,12-14,17,20,23-24,26-28,30,33H,5-7,9-11,15-16,18-19,21-22H2,2-3H3,(H,45,54)(H,47,50)(H,52,53)(H,44,46,49)/b14-8-/t26-,28+,30-,33-,42+/m0/s1
SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)O
InChI: InChI=1S/C37H42O20/c1-50-19-6-13(2-4-16(19)41)33-24(12-51-36-32(49)30(47)35(23(11-39)56-36)57-37-31(48)28(45)26(43)22(10-38)55-37)52-18-5-3-14(7-20(18)53-33)34-29(46)27(44)25-17(42)8-15(40)9-21(25)54-34/h2-9,22-24,26,28-43,45-49H,10-12H2,1H3/t22-,23-,24?,26+,28+,29+,30-,31-,32-,33?,34-,35-,36-,37+/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C(=CC(=C6)Br)OC)O)Cl)CBr)Cl
InChI: InChI=1S/C30H26Br2Cl2N2O6/c1-3-14-4-6-16(7-5-14)36-25(38)18-9-8-17-20(22(18)26(36)39)12-29(33)27(40)35(13-31)28(41)30(29,34)23(17)19-10-15(32)11-21(42-2)24(19)37/h4-8,10-11,18,20,22-23,37H,3,9,12-13H2,1-2H3/t18-,20+,22-,23+,29+,30-/m0/s1
SMILES: CC1=CC(=CC2=C1[C@@H]3CC[C@]4([C@@H]([C@H]3CC2)CC[C@]4(C#C)O)C)OC
InChI: InChI=1S/C22H28O2/c1-5-22(23)11-9-19-17-7-6-15-13-16(24-4)12-14(2)20(15)18(17)8-10-21(19,22)3/h1,12-13,17-19,23H,6-11H2,2-4H3/t17-,18+,19+,21-,22-/m0/s1
SMILES: C[C@]12[C@H](C(=O)N[C@]1(C(=O)O2)C(C3CCCC4C3O4)O)CCI
InChI: InChI=1S/C15H20INO5/c1-14-8(5-6-16)12(19)17-15(14,13(20)22-14)11(18)7-3-2-4-9-10(7)21-9/h7-11,18H,2-6H2,1H3,(H,17,19)/t7?,8-,9?,10?,11?,14-,15-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@]34[C@@]2(O3)C[C@@H]5[C@H](C4)C(=O)C=CC5=O
InChI: InChI=1S/C15H16O3/c16-12-3-4-13(17)11-7-15-9-2-1-8(5-9)14(15,18-15)6-10(11)12/h3-4,8-11H,1-2,5-7H2/t8-,9+,10+,11-,14+,15-
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=C)Cl
InChI: InChI=1S/C19H23ClN2OS/c1-12-7-6-10-17(14(12)3)22-18(23)15-8-4-5-9-16(15)21-19(22)24-11-13(2)20/h4-5,8-9,12,14,17H,2,6-7,10-11H2,1,3H3/t12-,14+,17+/m0/s1
SMILES: CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H]([C@H](N1O)C2=CC=CO2)O)(CO)O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C33H41N3O12/c1-2-3-15-47-31(42)25(27-29(40)33(44,19-37)28(39)26(36(27)45)24-10-7-16-46-24)35-30(41)23(17-20-11-13-22(38)14-12-20)34-32(43)48-18-21-8-5-4-6-9-21/h4-14,16,23,25-29,37-40,44-45H,2-3,15,17-19H2,1H3,(H,34,43)(H,35,41)/t23-,25-,26+,27-,28-,29-,33-/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C(=CC(=C5)Br)OC)O)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C25H21Br2NO6/c1-3-28-24(32)12-5-4-11-13(20(12)25(28)33)8-15-21(17(29)9-16(27)22(15)30)19(11)14-6-10(26)7-18(34-2)23(14)31/h4,6-7,9,12-13,19-20,31H,3,5,8H2,1-2H3/t12-,13+,19+,20-/m0/s1
SMILES: CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)OC
InChI: InChI=1S/C19H27NO5/c1-4-24-16-10-9-14(11-17(16)23-3)19(22)25-12-18(21)20-15-8-6-5-7-13(15)2/h9-11,13,15H,4-8,12H2,1-3H3,(H,20,21)/t13-,15+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@H]5[C@@]3(CC[C@@H](C5)O)CO
InChI: InChI=1S/C23H34O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10,15-19,24-25,27H,2-9,11-13H2,1H3/t15-,16+,17-,18+,19-,21-,22-,23+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)Cl)SC5=C2SC(=O)N5
InChI: InChI=1S/C21H15ClN2O4S2/c1-28-13-8-2-10(3-9-13)14-15-17(29-18-16(14)30-21(27)23-18)20(26)24(19(15)25)12-6-4-11(22)5-7-12/h2-9,14-15,17H,1H3,(H,23,27)/t14-,15-,17-/m1/s1
SMILES: C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C19H26N2O3/c1-13(21-9-8-14-4-2-3-5-15(14)11-21)19(22)20-16-6-7-17-18(10-16)24-12-23-17/h6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,20,22)/p+1/t13-,14+,15-/m1/s1
SMILES: C[C@@]12CC[C@]3(CCC(CC3C1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)N6C=NC=N6
InChI: InChI=1S/C33H42N4O3/c1-28(2)10-12-33(27(40)37-19-35-18-36-37)13-11-32(7)25(21(33)16-28)22(38)14-24-30(5)15-20(17-34)26(39)29(3,4)23(30)8-9-31(24,32)6/h14-15,18-19,21,23,25H,8-13,16H2,1-7H3/t21?,23-,25?,30-,31+,32+,33-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@]4([C@H]2CCC5=CC=CC=C54)C)(CC[C@@H](C3(C)C)O)C
InChI: InChI=1S/C27H40O/c1-24(2)20-12-16-27(5)21-11-10-18-8-6-7-9-19(18)25(21,3)15-13-22(27)26(20,4)17-14-23(24)28/h6-9,20-23,28H,10-17H2,1-5H3/t20-,21+,22+,23-,25+,26-,27-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3CO[C@H](CN3C2(C)C)C[Se]C4=CC=CC=C4
InChI: InChI=1S/C21H31NO2Se/c1-15-9-10-18-19(11-15)24-20-13-23-16(12-22(20)21(18,2)3)14-25-17-7-5-4-6-8-17/h4-8,15-16,18-20H,9-14H2,1-3H3/t15-,16-,18-,19-,20+/m1/s1
SMILES: C1[C@H](O[C@H]([C@@H]1S(=O)(=O)C2=CC=CC=C2)C3=CC=CO3)CO
InChI: InChI=1S/C15H16O5S/c16-10-11-9-14(15(20-11)13-7-4-8-19-13)21(17,18)12-5-2-1-3-6-12/h1-8,11,14-16H,9-10H2/t11-,14+,15-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C(=CC5=O)C)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C38H31NO6/c1-19-15-24(16-20(2)34(19)41)31-26-13-14-27-32(28(26)18-29-30(40)17-21(3)35(42)33(29)31)38(45)39(37(27)44)25-11-9-23(10-12-25)36(43)22-7-5-4-6-8-22/h4-13,15-17,27-28,31-32,41H,14,18H2,1-3H3/t27-,28+,31-,32-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3C2CC[C@]4([C@]35[C@H](O5)CC4C6=COC(=O)C=C6)C)OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O
InChI: InChI=1S/C38H56N4O8/c1-36-17-15-25(49-33(45)10-6-4-3-5-9-31(43)42-29(34(46)47)8-7-19-41-35(39)40)20-24(36)12-13-27-26(36)16-18-37(2)28(21-30-38(27,37)50-30)23-11-14-32(44)48-22-23/h11,14,22,24-30H,3-10,12-13,15-21H2,1-2H3,(H,42,43)(H,46,47)(H4,39,40,41)/t24-,25+,26?,27-,28?,29?,30-,36+,37-,38-/m1/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CC5=CC=C(C=C5)F)C(=O)OCCCl)OCC=C
InChI: InChI=1S/C42H55ClFN3O9/c1-4-22-53-42-37(47(41(51)52-23-19-43)27-28-13-15-30(44)16-14-28)26-35(46-54-6-3)33-24-29(11-7-9-20-48)32(12-8-10-21-49)38(39(33)42)34-25-31(17-18-36(34)56-42)55-40(50)45-5-2/h4,13-18,24-25,29,32,37-39,48-49H,1,5-12,19-23,26-27H2,2-3H3,(H,45,50)/t29-,32+,37-,38+,39+,42+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]
InChI: InChI=1S/C19H30N4O4S/c1-14-5-4-6-17(15(14)2)20-18-8-7-16(13-19(18)23(24)25)28(26,27)22-11-9-21(3)10-12-22/h7-8,13-15,17,20H,4-6,9-12H2,1-3H3/t14-,15-,17+/m1/s1
SMILES: CCOC(=O)C1=NN[C@H]([C@@H]1C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H20N2O3/c1-3-25-20(24)18-16(14-11-9-13(2)10-12-14)17(21-22-18)19(23)15-7-5-4-6-8-15/h4-12,16-17,21H,3H2,1-2H3/t16-,17+/m0/s1
SMILES: CC(=O)N(CC1=CC=CC=C1)C2CC=C[C@H]3[C@@H]([C@H]2O[Si](C)(C)C(C)(C)C)OC(O3)(C)C
InChI: InChI=1S/C25H39NO4Si/c1-18(27)26(17-19-13-10-9-11-14-19)20-15-12-16-21-23(29-25(5,6)28-21)22(20)30-31(7,8)24(2,3)4/h9-14,16,20-23H,15,17H2,1-8H3/t20?,21-,22-,23-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)CCCC(=O)O)CN4C=NC(=C4Cl)Cl
InChI: InChI=1S/C28H31Cl2N3O6/c1-17-22(14-33-16-32-26(29)27(33)30)38-28(39-25(17)20-9-7-19(15-34)8-10-20)21-11-5-18(6-12-21)13-31-23(35)3-2-4-24(36)37/h5-12,16-17,22,25,28,34H,2-4,13-15H2,1H3,(H,31,35)(H,36,37)/t17-,22+,25+,28+/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@H]2C=C[C@H]4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@@H]6[C@H]([C@@H]([C@H](O6)CO)O)O
InChI: InChI=1S/C35H56O7/c1-30(2)14-16-35(29(39)40)17-15-33(6)20(21(35)18-30)8-9-24-32(5)12-11-25(31(3,4)23(32)10-13-34(24,33)7)42-28-27(38)26(37)22(19-36)41-28/h8-9,20-28,36-38H,10-19H2,1-7H3,(H,39,40)/t20-,21+,22-,23+,24+,25+,26-,27+,28-,32+,33-,34-,35+/m1/s1
SMILES: CC(C)OC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=C(C=CC=C2Cl)Cl
InChI: InChI=1S/C15H16Cl2N2O2S/c1-7(2)21-14(20)11-8(3)18-15(22)19-13(11)12-9(16)5-4-6-10(12)17/h4-7,11,13H,3H2,1-2H3,(H2,18,19,22)/t11-,13-/m0/s1
SMILES: CC1=CN=C(N1OC)/C=C(\C)/C[C@H]2[C@@H]([C@@H]([C@H](CO2)C[C@H]3[C@@H](O3)[C@@H](C)[C@H](C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C30H58N2O6Si3/c1-20(16-27-31-18-21(2)32(27)33-5)15-25-30(38-41(12,13)14)29(37-40(9,10)11)24(19-34-25)17-26-28(35-26)22(3)23(4)36-39(6,7)8/h16,18,22-26,28-30H,15,17,19H2,1-14H3/b20-16+/t22-,23-,24-,25-,26-,28-,29+,30-/m0/s1
SMILES: CC(C)C(=O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1O)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
InChI: InChI=1S/C26H42O11/c1-11(2)22(28)33-17-16(27)18(34-23(29)12(3)4)20(36-25(31)14(7)8)21(37-26(32)15(9)10)19(17)35-24(30)13(5)6/h11-21,27H,1-10H3/t16?,17-,18+,19-,20-,21?/m0/s1
SMILES: CC1=C2C[C@H]([C@@H]3[C@@](C2=CC4=C1C=CO4)(CCC[C@@]3(C)C(=O)OC)C)O
InChI: InChI=1S/C21H26O4/c1-12-13-6-9-25-17(13)11-15-14(12)10-16(22)18-20(15,2)7-5-8-21(18,3)19(23)24-4/h6,9,11,16,18,22H,5,7-8,10H2,1-4H3/t16-,18-,20-,21-/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)Br)O
InChI: InChI=1S/C33H24BrCl2FN2O6/c1-45-20-10-11-22(25(40)14-20)27-21-12-13-23-26(29(42)38(28(23)41)18-6-2-16(34)3-7-18)24(21)15-32(35)30(43)39(31(44)33(27,32)36)19-8-4-17(37)5-9-19/h2-12,14,23-24,26-27,40H,13,15H2,1H3/t23-,24+,26-,27+,32+,33-/m0/s1
SMILES: COP(=O)(OCOC1=CC(=C(C=C1)Cl)Cl)O[C@@H]2[C@H](O[C@H]([C@@H]2OC3CCCCO3)N4C=CC(=O)NC4=O)COC5CCCCO5
InChI: InChI=1S/C27H35Cl2N2O12P/c1-35-44(34,40-16-39-17-8-9-18(28)19(29)14-17)43-24-20(15-38-22-6-2-4-12-36-22)41-26(31-11-10-21(32)30-27(31)33)25(24)42-23-7-3-5-13-37-23/h8-11,14,20,22-26H,2-7,12-13,15-16H2,1H3,(H,30,32,33)/t20-,22?,23?,24-,25-,26-,44?/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CCCC3)C(=O)C4(CC4)OC(=O)C)C)O
InChI: InChI=1S/C25H35NO6/c1-16(27)24(3)15-26(23(29)25(11-12-25)32-17(2)28)14-20(24)18-9-10-21(30-4)22(13-18)31-19-7-5-6-8-19/h9-10,13,16,19-20,27H,5-8,11-12,14-15H2,1-4H3/t16-,20+,24+/m1/s1
SMILES: CCCCC(C)C[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)OC)O)O
InChI: InChI=1S/C24H40O4/c1-4-5-8-17(2)13-20(25)11-12-21-22-15-18(14-19(22)16-23(21)26)9-6-7-10-24(27)28-3/h11-12,14,17,19-23,25-26H,4-10,13,15-16H2,1-3H3/b12-11+/t17?,19-,20+,21+,22-,23+/m0/s1
SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43CC5=CC=C(C=C5)CCCO[C@H]6CC[C@]7([C@@H](C6)C[C@H]([C@@H]8[C@@H]7C[C@@H]([C@]9([C@H]8CC[C@@H]9[C@H](C)CCC(=O)O)C)O)O)C)C)O
InChI: InChI=1S/C55H76O7/c1-6-23-55(61)27-22-43-41-15-14-37-29-39(56)19-26-54(37,44(41)21-25-52(43,55)4)33-36-12-10-35(11-13-36)8-7-28-62-40-20-24-51(3)38(30-40)31-47(57)50-45-17-16-42(34(2)9-18-49(59)60)53(45,5)48(58)32-46(50)51/h10-13,21,29,34,38,40-43,45-48,50,57-58,61H,7-9,14-20,22,24-28,30-33H2,1-5H3,(H,59,60)/t34-,38+,40+,41+,42-,43+,45+,46+,47-,48+,50+,51+,52+,53-,54-,55+/m1/s1
SMILES: CC(OC(=O)C)OC(=O)C1=CCS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N
InChI: InChI=1S/C17H19N5O7S2/c1-7(23)28-8(2)29-16(26)10-4-5-30-15-12(14(25)22(10)15)20-13(24)11(21-27-3)9-6-31-17(18)19-9/h4,6,8,12,15H,5H2,1-3H3,(H2,18,19)(H,20,24)/b21-11-/t8?,12-,15-/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=S)N[C@H]2CCCC[C@H]2C
InChI: InChI=1S/C19H31N3O2S2/c1-4-22(5-2)26(23,24)17-12-10-16(11-13-17)14-20-19(25)21-18-9-7-6-8-15(18)3/h10-13,15,18H,4-9,14H2,1-3H3,(H2,20,21,25)/t15-,18+/m1/s1
SMILES: C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(C)O)(C)COS(=O)(=O)C)OS(=O)(=O)C
InChI: InChI=1S/C22H38O7S2/c1-19(14-28-30(4,24)25)17-7-6-15-12-16-13-22(15,11-10-21(16,3)23)20(17,2)9-8-18(19)29-31(5,26)27/h15-18,23H,6-14H2,1-5H3/t15-,16+,17-,18+,19-,20-,21+,22-/m0/s1
SMILES: B1(O[C@H]2C[C@@H]3C[C@H]([C@]2(O1)C)C3(C)C)/C=C/CCl
InChI: InChI=1S/C13H20BClO2/c1-12(2)9-7-10(12)13(3)11(8-9)16-14(17-13)5-4-6-15/h4-5,9-11H,6-8H2,1-3H3/b5-4+/t9-,10-,11-,13+/m0/s1
SMILES: CC(=CC(=O)N(CCC1=CC(=CC=C1)F)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO)C
InChI: InChI=1S/C30H35FN2O7/c1-17(2)11-25(36)33(9-7-18-5-4-6-20(31)12-18)23-15-22(30(38)32-8-10-34)26-21-13-19(16-35)14-24(39-3)28(21)40-29(26)27(23)37/h4-6,11-15,23,26-27,29,34-35,37H,7-10,16H2,1-3H3,(H,32,38)/t23-,26+,27+,29+/m1/s1
SMILES: CC[C@@H]1C[C@@](O[C@H]1[C@H](CC)O)(C)C[C@@H](CC)[C@H](CC(=O)OC)O
InChI: InChI=1S/C18H34O5/c1-6-12(15(20)9-16(21)22-5)10-18(4)11-13(7-2)17(23-18)14(19)8-3/h12-15,17,19-20H,6-11H2,1-5H3/t12-,13-,14+,15+,17-,18-/m1/s1
SMILES: C[C@@H]1[C@@]2(C(=C)C3([C@]1(C3([C@]2(C)C4=CC=C(C=C4)C)C)C)C)C
InChI: InChI=1S/C21H28/c1-13-9-11-16(12-10-13)20(7)17(4)14(2)18(5)19(6,15(17)3)21(18,20)8/h9-12,15H,2H2,1,3-8H3/t15-,17+,18?,19+,20-,21?/m1/s1
SMILES: C[C@H]1[C@H](C(=O)[C@H](CN1S(=O)(=O)C2=CC=CC=C2)N(C)C(=O)C3=CC=CC=C3)OC
InChI: InChI=1S/C21H24N2O5S/c1-15-20(28-3)19(24)18(22(2)21(25)16-10-6-4-7-11-16)14-23(15)29(26,27)17-12-8-5-9-13-17/h4-13,15,18,20H,14H2,1-3H3/t15-,18-,20+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)[NH2+][C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C
InChI: InChI=1S/C19H30N2O3/c1-10-8-7-9-15(11(10)2)20-14(5)18(22)17-12(3)16(13(4)21-17)19(23)24-6/h10-11,14-15,20-21H,7-9H2,1-6H3/p+1/t10-,11-,14+,15-/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI: InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O1)C=C3
InChI: InChI=1S/C11H12O4/c1-5(12)14-11-9-7-3-2-6(4-7)8(9)10(13)15-11/h2-3,6-9,11H,4H2,1H3/t6-,7+,8-,9+,11+/m0/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H22N2O4/c1-16-7-6-10-19(15-16)26-24(28)21-22(17-11-13-20(30-2)14-12-17)27(31-23(21)25(26)29)18-8-4-3-5-9-18/h3-15,21-23H,1-2H3/t21-,22+,23+/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@H]2[C@]3([C@@]2(C(N=C3N)(OC)OC)C#N)C#N
InChI: InChI=1S/C17H16N4O4/c1-23-13(22)11-6-4-10(5-7-11)12-15(8-18)14(20)21-17(24-2,25-3)16(12,15)9-19/h4-7,12H,1-3H3,(H2,20,21)/t12-,15+,16+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)O[S@@](=O)/C=C/C(C)(C)C)C)C
InChI: InChI=1S/C33H58O2S/c1-23(2)10-9-11-24(3)28-14-15-29-27-13-12-25-22-26(35-36(34)21-20-31(4,5)6)16-18-32(25,7)30(27)17-19-33(28,29)8/h20-21,23-30H,9-19,22H2,1-8H3/b21-20+/t24-,25?,26+,27+,28-,29+,30+,32+,33-,36-/m1/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=CC=C2CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC(O6)(C7CC7)C8CC8)C(=O)NCCC(=O)NCCO)C
InChI: InChI=1S/C37H45N3O12/c1-35(2)19-47-33(45)31(35)49-26(43)12-7-20-5-3-4-6-21(20)18-40-29-32(44)48-24-17-36(29,34(46)39-14-13-25(42)38-15-16-41)30(52-40)28-27(24)50-37(51-28,22-8-9-22)23-10-11-23/h3-7,12,22-24,27-31,41H,8-11,13-19H2,1-2H3,(H,38,42)(H,39,46)/t24-,27+,28+,29+,30-,31+,36+/m1/s1
SMILES: COC1=CC2=C(C=C1)[C@H]3CCC(=O)[C@H]([C@@H]3CC2)CCC[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C36H38O2P/c1-38-28-20-22-32-27(26-28)19-21-34-33(32)23-24-36(37)35(34)18-11-25-39(29-12-5-2-6-13-29,30-14-7-3-8-15-30)31-16-9-4-10-17-31/h2-10,12-17,20,22,26,33-35H,11,18-19,21,23-25H2,1H3/q+1/t33-,34-,35+/m1/s1
SMILES: C[C@H]1C[C@@]2([C@H](CN1C)C)C(=C(OC3=NNC(=C23)C)N)C#N
InChI: InChI=1S/C15H21N5O/c1-8-7-20(4)9(2)5-15(8)11(6-16)13(17)21-14-12(15)10(3)18-19-14/h8-9H,5,7,17H2,1-4H3,(H,18,19)/t8-,9-,15+/m0/s1
SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O
InChI: InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
SMILES: CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C26H44O4/c1-5-30-24(29)11-6-16(2)20-9-10-21-19-8-7-17-14-18(27)12-13-25(17,3)22(19)15-23(28)26(20,21)4/h16-23,27-28H,5-15H2,1-4H3/t16-,17+,18+,19+,20+,21-,22+,23-,25+,26-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
SMILES: C[C@@H]1[C@H]2C([C@@H]3CCCC[C@H]3C[C@]2(C(=O)O1)NC(=O)OC)/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F
InChI: InChI=1S/C28H31FN2O4/c1-17-25-24(13-12-22-11-10-20(16-30-22)18-7-5-8-21(29)14-18)23-9-4-3-6-19(23)15-28(25,26(32)35-17)31-27(33)34-2/h5,7-8,10-14,16-17,19,23-25H,3-4,6,9,15H2,1-2H3,(H,31,33)/b13-12+/t17-,19+,23-,24?,25+,28+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C18H22F3NO3/c1-11-4-3-5-15(12(11)2)22-16(23)10-25-17(24)13-6-8-14(9-7-13)18(19,20)21/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,22,23)/t11-,12+,15+/m0/s1
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC[C@H]4[C@@H]3CCCC4
InChI: InChI=1S/C22H32N2O3S/c25-22(24-17-7-9-18-8-3-4-10-21(18)24)19-11-13-20(14-12-19)28(26,27)23-15-5-1-2-6-16-23/h11-14,18,21H,1-10,15-17H2/t18-,21-/m0/s1
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)[C@@H]3C[C@H]3C
InChI: InChI=1S/C16H18N2O4S/c1-3-21-10-4-5-12-13(7-10)23-16(17-12)18-14(19)8-22-15(20)11-6-9(11)2/h4-5,7,9,11H,3,6,8H2,1-2H3,(H,17,18,19)/t9-,11-/m1/s1
SMILES: CCN1C2=CC=CC=C2[C@@]3(C1=O)[C@H]4[C@H]([C@@H]5N3CCC5)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)C(F)(F)F
InChI: InChI=1S/C25H21ClF3N3O3/c1-2-30-17-7-4-3-6-14(17)24(23(30)35)20-19(18-8-5-11-31(18)24)21(33)32(22(20)34)13-9-10-16(26)15(12-13)25(27,28)29/h3-4,6-7,9-10,12,18-20H,2,5,8,11H2,1H3/t18-,19+,20+,24+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2C(=O)CCC[C@]2([C@H]3[C@]14C[C@@H](CC3)C(=C)C4)C
InChI: InChI=1S/C20H28O3/c1-12-10-20-11-14(12)6-7-17(20)19(3)8-4-5-16(22)15(19)9-18(20)23-13(2)21/h14-15,17-18H,1,4-11H2,2-3H3/t14-,15-,17+,18+,19-,20+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)O
InChI: InChI=1S/C24H28ClN3O3/c25-17-4-3-5-20(16-17)28-14-12-27(13-15-28)19-10-8-18(9-11-19)26-23(29)21-6-1-2-7-22(21)24(30)31/h3-5,8-11,16,21-22H,1-2,6-7,12-15H2,(H,26,29)(H,30,31)/t21-,22+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](C(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N\OCCC4=CC=CC=C4)/CO2)C)C)C)(C)O
InChI: InChI=1S/C42H65N3O11/c1-12-33-42(9,50)38-26(4)34(43-29(7)46)24(2)21-41(8,52-23-31(22-51-38)44-53-19-18-30-16-14-13-15-17-30)37(27(5)35(47)28(6)39(49)55-33)56-40-36(48)32(45(10)11)20-25(3)54-40/h13-17,24-28,32-33,36-38,40,48,50H,12,18-23H2,1-11H3/b43-34?,44-31-/t24-,25-,26+,27+,28-,32+,33-,36-,37-,38-,40+,41-,42-/m1/s1
SMILES: C[C@H]([C@@]1(CNC[C@H]1C2=CC(=C(C=C2)OC)OCC3CC3)C)O
InChI: InChI=1S/C18H27NO3/c1-12(20)18(2)11-19-9-15(18)14-6-7-16(21-3)17(8-14)22-10-13-4-5-13/h6-8,12-13,15,19-20H,4-5,9-11H2,1-3H3/t12-,15+,18+/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)O)C=CCl
InChI: InChI=1S/C11H13ClN2O5S/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/t6-,7-,8+,10-/m1/s1
SMILES: COC(=O)[C@H]1CN2CCC3=C([C@H]2[C@@H]1C(=O)OC)NC4=CC=CC=C34
InChI: InChI=1S/C18H20N2O4/c1-23-17(21)12-9-20-8-7-11-10-5-3-4-6-13(10)19-15(11)16(20)14(12)18(22)24-2/h3-6,12,14,16,19H,7-9H2,1-2H3/t12-,14+,16+/m0/s1
SMILES: C1CC[NH+]2CCC[C@@H]([C@H]2C1)CNC3=C4C=CC=CC4=[NH+]C5=CC=CC=C53
InChI: InChI=1S/C23H27N3/c1-3-11-20-18(9-1)23(19-10-2-4-12-21(19)25-20)24-16-17-8-7-15-26-14-6-5-13-22(17)26/h1-4,9-12,17,22H,5-8,13-16H2,(H,24,25)/p+2/t17-,22-/m1/s1
SMILES: C[C@]12CCC[C@H]([C@H]1[C@H]3[C@@]2(CCCC3)C(=O)OC)O
InChI: InChI=1S/C15H24O3/c1-14-8-5-7-11(16)12(14)10-6-3-4-9-15(10,14)13(17)18-2/h10-12,16H,3-9H2,1-2H3/t10-,11+,12+,14-,15-/m0/s1
SMILES: C[C@]12CC[C@H](C[C@]13[C@@H](O3)C[C@H]4[C@@H]2CC[C@]5([C@@H]4CC[C@]5(C#C)O)C)O
InChI: InChI=1S/C21H30O3/c1-4-20(23)10-7-15-14-11-17-21(24-17)12-13(22)5-8-19(21,3)16(14)6-9-18(15,20)2/h1,13-17,22-23H,5-12H2,2-3H3/t13-,14-,15-,16+,17+,18+,19-,20+,21+/m1/s1
SMILES: CC(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)Br)Br
InChI: InChI=1S/C23H19Br2NO4/c1-11(2)18(21(29)30)26-19(27)16-17(20(26)28)23(25)13-8-4-3-7-12(13)22(16,24)14-9-5-6-10-15(14)23/h3-11,16-18H,1-2H3,(H,29,30)/p-1/t16-,17+,18-,22?,23?/m1/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)OC)O)CO
InChI: InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(28,15(12)16(11)27)23(29,19(22)24)18(31-3)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21-,22+,23-/m1/s1
SMILES: CCCN(CCN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C30H33ClN2O7S/c1-3-14-33(41(36,37)24-11-7-22(31)8-12-24)16-15-32-18-25(21-6-13-26-27(17-21)40-19-39-26)28(30(34)35)29(32)20-4-9-23(38-2)10-5-20/h4-13,17,25,28-29H,3,14-16,18-19H2,1-2H3,(H,34,35)/t25-,28-,29+/m1/s1
SMILES: C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@]1(C)CC=O)[C@@H]2C[C@@H]([C@H]3C[C@H](CC[C@@]3(C2=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H54O7Si/c1-20(19-37-40(9,10)30(4,5)6)25-11-12-26(31(25,7)15-16-33)24-18-28(39-22(3)35)27-17-23(38-21(2)34)13-14-32(27,8)29(24)36/h16,20,23-28H,11-15,17-19H2,1-10H3/t20-,23+,24+,25-,26+,27-,28+,31-,32+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3C(=O)NC4=CC=C(C=C4)C(C)C)N(C1=O)C(=O)C5=NC6=C(S5)C=CC(=C6)Cl
InChI: InChI=1S/C30H32ClN5O4S/c1-16(2)18-6-9-20(10-7-18)32-30(40)34-13-4-5-23(34)28(38)35-14-12-22-25(35)17(3)27(37)36(22)29(39)26-33-21-15-19(31)8-11-24(21)41-26/h6-11,15-17,22-23,25H,4-5,12-14H2,1-3H3,(H,32,40)/t17-,22-,23-,25+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H]3C(=O)C=C[C@H]2N3C4=NC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C15H13N3O3/c19-13-6-5-12-10-2-1-3-11(10)15(13)17(12)14-7-4-9(8-16-14)18(20)21/h1-2,4-8,10-12,15H,3H2/t10-,11+,12-,15-/m1/s1
SMILES: CN1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)C3=CC=CC=C3)C4=C(C=CC(=C4)F)F
InChI: InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1
SMILES: C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)NC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C12H17NO4/c1-7-9(14)10(15)11(16)12(17-7)13-8-5-3-2-4-6-8/h2-7,9-16H,1H3/t7-,9-,10-,11+,12+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3C=C[C@H]([C@H]4[C@@H]3OS(=O)(=O)O4)OCC5=CC=C(C=C5)OC
InChI: InChI=1S/C30H34O7SSi/c1-30(2,3)39(24-11-7-5-8-12-24,25-13-9-6-10-14-25)37-27-20-19-26(28-29(27)36-38(31,32)35-28)34-21-22-15-17-23(33-4)18-16-22/h5-20,26-29H,21H2,1-4H3/t26-,27-,28+,29-/m1/s1
SMILES: CCCCN1C(=O)[C@@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@H]2CCCCC4)C(=O)NC1=O
InChI: InChI=1S/C21H26N4O5/c1-2-3-10-24-19(27)21(18(26)22-20(24)28)13-14-12-15(25(29)30)8-9-16(14)23-11-6-4-5-7-17(21)23/h8-9,12,17H,2-7,10-11,13H2,1H3,(H,22,26,28)/t17-,21+/m0/s1
SMILES: CCCCN1[C@@H]2C=C[C@H](C1=O)[C@H]3C=C[C@@H]2C(=O)N3CCCC
InChI: InChI=1S/C18H26N2O2/c1-3-5-11-19-15-9-7-14(17(19)21)16-10-8-13(15)18(22)20(16)12-6-4-2/h7-10,13-16H,3-6,11-12H2,1-2H3/t13-,14-,15+,16+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCC=CCCCCCCCCC)O)O
InChI: InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22?,32-30+/t36-,37+,38?,39+,40+,41-,42+,44+/m0/s1