EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)O[C@@H]1CC[C@@]2([C@H]3C[C@H](C4[C@]([C@@]3(CCC2C1(C)C)C)(CC[C@@]4([C@@]5(CCC(=O)O5)C)O)C)OC(=O)C)C
InChI: InChI=1S/C31H48O7/c1-18(32)36-20-17-22-27(5)12-10-23(37-19(2)33)26(3,4)21(27)9-13-28(22,6)29(7)15-16-31(35,25(20)29)30(8)14-11-24(34)38-30/h20-23,25,35H,9-17H2,1-8H3/t20-,21?,22-,23-,25?,27+,28-,29-,30+,31-/m1/s1
SMILES: C1CN(CCC1(CCCC2=CC=CC=C2)O)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4)C(C5=CC=CC=C5)C(=O)O
InChI: InChI=1S/C33H40N2O3/c36-32(37)31(28-16-8-3-9-17-28)35-24-29(30(25-35)27-14-6-2-7-15-27)23-34-21-19-33(38,20-22-34)18-10-13-26-11-4-1-5-12-26/h1-9,11-12,14-17,29-31,38H,10,13,18-25H2,(H,36,37)/t29-,30+,31?/m0/s1
SMILES: C1CN2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)N6CCC(CC6)C(=O)N
InChI: InChI=1S/C29H34N6O2/c30-28(36)23-10-13-33(14-11-23)29(37)26-18-34-15-12-24(26)16-25(34)17-35-19-27(31-32-35)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-9,19,23-26H,10-18H2,(H2,30,36)/t24-,25+,26-/m0/s1
SMILES: C/C(=C\C(=O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C
InChI: InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,20+/m1/s1
SMILES: CC(CCCCCC(CCCCCCCCCCCCCCCC(CC(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC
InChI: InChI=1S/C47H88O20/c1-29(62-46-43(60-3)40(56)37(53)33(27-49)66-46)21-17-16-20-23-30(63-47-44(61-4)41(57)38(54)34(28-50)67-47)22-18-14-12-10-8-6-5-7-9-11-13-15-19-24-31(25-35(51)59-2)64-45-42(58)39(55)36(52)32(26-48)65-45/h29-34,36-50,52-58H,5-28H2,1-4H3/t29?,30?,31?,32-,33-,34-,36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46-,47-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)COC(N3O)CCN=[N+]=[N-]
InChI: InChI=1S/C13H18N6O5/c1-7-5-18(13(21)16-12(7)20)11-4-8-9(24-11)6-23-10(19(8)22)2-3-15-17-14/h5,8-11,22H,2-4,6H2,1H3,(H,16,20,21)/t8-,9-,10?,11-/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)NC(=O)CCC(=O)O)CSC4=NN=C(S4)C
InChI: InChI=1S/C26H29N3O6S2/c1-15-21(14-36-26-29-28-16(2)37-26)34-25(35-24(15)18-5-3-17(13-30)4-6-18)19-7-9-20(10-8-19)27-22(31)11-12-23(32)33/h3-10,15,21,24-25,30H,11-14H2,1-2H3,(H,27,31)(H,32,33)/t15-,21+,24+,25+/m1/s1
SMILES: COC(=O)N(CCOCCO)[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=CC(=C6)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C45H60N2O12/c1-3-22-56-45-40(47(44(52)53-2)18-24-54-25-21-50)29-38(46-59-41-15-6-9-23-55-41)36-27-32(12-4-7-19-48)35(14-5-8-20-49)42(43(36)45)37-28-34(16-17-39(37)58-45)57-33-13-10-11-31(26-33)30-51/h3,10-11,13,16-17,26-28,30,32,35,40-43,48-50H,1,4-9,12,14-15,18-25,29H2,2H3/t32-,35+,40-,41?,42+,43+,45+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32
InChI: InChI=1S/C20H26N2O3/c1-13-6-5-9-17(14(13)2)22-19(23)12-25-20(24)10-15-11-21-18-8-4-3-7-16(15)18/h3-4,7-8,11,13-14,17,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,14+,17+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)O[C@@](O2)(C)OC)OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C24H30O7/c1-16-20(27-15-18-10-12-19(25-3)13-11-18)21(28-14-17-8-6-5-7-9-17)22-23(29-16)31-24(2,26-4)30-22/h5-13,16,20-23H,14-15H2,1-4H3/t16-,20-,21+,22+,23+,24-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=O)[C@H]3N2[C@@H]([C@@]4([C@@H]3C(=O)O)C5=C(C=CC(=C5)C#CCNC(=O)N)N(C4=O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7OCCO)C8=CC=CC=C8
InChI: InChI=1S/C47H39N5O12/c48-45(58)49-23-9-10-28-19-22-35-34(26-28)47(44(57)50(35)46(59)63-27-29-17-20-32(21-18-29)52(60)61)37(42(54)55)39-43(56)64-40(31-13-5-2-6-14-31)38(30-11-3-1-4-12-30)51(39)41(47)33-15-7-8-16-36(33)62-25-24-53/h1-8,11-22,26,37-41,53H,23-25,27H2,(H,54,55)(H3,48,49,58)/t37-,38-,39-,40+,41+,47-/m0/s1
SMILES: CCCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)CC[C@@]43C)C)F)O)C)C)C(=O)COC(=O)C
InChI: InChI=1S/C29H41FO7/c1-7-8-25(35)37-29(24(34)15-36-18(4)31)17(3)12-21-22-11-16(2)20-13-19(32)9-10-26(20,5)28(22,30)23(33)14-27(21,29)6/h13,16-17,21-23,33H,7-12,14-15H2,1-6H3/t16-,17+,21-,22-,23-,26-,27-,28-,29-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)O
InChI: InChI=1S/C46H38ClFN4O6/c1-2-58-39-24-26(8-23-38(39)53)41-34-21-22-35-40(44(56)51(42(35)54)33-19-17-31(18-20-33)49-30-6-4-3-5-7-30)36(34)25-37-43(55)52(50-32-15-13-29(48)14-16-32)45(57)46(37,41)27-9-11-28(47)12-10-27/h3-21,23-24,35-37,40-41,49-50,53H,2,22,25H2,1H3/t35-,36+,37-,40-,41-,46+/m0/s1
SMILES: CC1=C(C=CC(=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H24N2O4/c1-14-13-16(23-21(26)17-9-5-6-10-18(17)22(27)28)11-12-19(14)24-20(25)15-7-3-2-4-8-15/h2-4,7-8,11-13,17-18H,5-6,9-10H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t17-,18+/m0/s1
SMILES: C1CC(C(OC1)OCCC2=CN=NN2C[C@@H]3[C@H]([C@@H]([C@H](N3)CO)O)O)(Cl)Cl
InChI: InChI=1S/C15H24Cl2N4O5/c16-15(17)3-1-4-25-14(15)26-5-2-9-6-18-20-21(9)7-10-12(23)13(24)11(8-22)19-10/h6,10-14,19,22-24H,1-5,7-8H2/t10-,11-,12-,13-,14?/m1/s1
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@H]2[C@H]1[C@H]([C@H](C=C2)C)CCC(=O)C[C@H](CC(=O)OC)O)/C=C/C
InChI: InChI=1S/C28H44O6/c1-7-9-19-14-20-11-10-18(3)23(13-12-21(29)16-22(30)17-25(31)33-6)26(20)24(15-19)34-27(32)28(4,5)8-2/h7,9-11,18-20,22-24,26,30H,8,12-17H2,1-6H3/b9-7+/t18-,19-,20-,22+,23-,24-,26-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2[NH2+]CCC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C16H21NO2/c1-3-13-7-12(1)8-14(13)17-6-5-11-2-4-15-16(9-11)19-10-18-15/h2,4,9,12-14,17H,1,3,5-8,10H2/p+1/t12-,13+,14-/m0/s1
SMILES: C1[C@@H]2C[C@H]3[C@H]1[C@H]([C@@H]2C(=O)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C(=O)O3
InChI: InChI=1S/C17H16N2O7/c20-13(18-9-2-1-3-10(6-9)19(23)24)7-25-16(21)14-8-4-11-12(5-8)26-17(22)15(11)14/h1-3,6,8,11-12,14-15H,4-5,7H2,(H,18,20)/t8-,11+,12+,14-,15-/m1/s1
SMILES: C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O
InChI: InChI=1S/C24H30O11/c1-24(31)10-15(33-17(27)7-4-12-2-5-13(26)6-3-12)14-8-9-32-22(18(14)24)35-23-21(30)20(29)19(28)16(11-25)34-23/h2-9,14-16,18-23,25-26,28-31H,10-11H2,1H3/b7-4+/t14-,15+,16+,18+,19+,20-,21+,22-,23-,24-/m0/s1
SMILES: C/C(=N\NC(=O)N)/CC[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C
InChI: InChI=1S/C19H35N3O2/c1-13(21-22-16(20)23)7-8-15-18(4)11-6-10-17(2,3)14(18)9-12-19(15,5)24/h14-15,24H,6-12H2,1-5H3,(H3,20,22,23)/b21-13+/t14-,15+,18-,19+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C18H20N2O5/c21-15(19-12-6-2-1-3-7-12)11-25-16(22)10-20-17(23)13-8-4-5-9-14(13)18(20)24/h1-3,6-7,13-14H,4-5,8-11H2,(H,19,21)/t13-,14-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI: InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(6(2-16)24-7)25-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
SMILES: C/C=C/1\[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C16H20O4/c1-4-12-13(17-10-11-8-6-5-7-9-11)14-15(18-12)20-16(2,3)19-14/h4-9,13-15H,10H2,1-3H3/b12-4+/t13-,14+,15+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C(=O)[C@H](C(=O)O[C@@H]([C@@]3([C@H]([C@H](C(=O)[C@@H](C[C@@]2(C)O)C)C)NC(=O)O3)C)CCNC(=O)CC4=NC(=C(O4)C5=CC=CC=C5)C)C)C)O)N(C)C
InChI: InChI=1S/C42H60N4O12/c1-21-20-41(7,53)37(57-39-34(50)28(46(9)10)18-22(2)54-39)24(4)33(49)25(5)38(51)55-29(42(8)36(23(3)32(21)48)45-40(52)58-42)16-17-43-30(47)19-31-44-26(6)35(56-31)27-14-12-11-13-15-27/h11-15,21-25,28-29,34,36-37,39,50,53H,16-20H2,1-10H3,(H,43,47)(H,45,52)/t21-,22-,23+,24+,25-,28+,29-,34-,36+,37-,39+,41-,42-/m1/s1
SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)[C@@H]3[C@@H](C(=N)SC(=C3C#N)N)C#N
InChI: InChI=1S/C19H14N4OS/c20-10-15-17(16(11-21)19(23)25-18(15)22)12-5-4-8-14(9-12)24-13-6-2-1-3-7-13/h1-9,15,17,22H,23H2/t15-,17+/m0/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2C(=O)NCC4=NC5=C(N4)C=C(C=C5)Cl)CC[C@@H]6[C@@]3(C=C(C(=O)N6C)F)C
InChI: InChI=1S/C28H34ClFN4O2/c1-27-11-10-18-16(5-9-23-28(18,2)13-20(30)26(36)34(23)3)17(27)6-7-19(27)25(35)31-14-24-32-21-8-4-15(29)12-22(21)33-24/h4,8,12-13,16-19,23H,5-7,9-11,14H2,1-3H3,(H,31,35)(H,32,33)/t16?,17-,18?,19+,23+,27-,28+/m0/s1
SMILES: CC1=C2CC=C([C@H]2[C@@H]([C@@H](CC1)[C@H](C)CCC(=O)C(C)C)O)C
InChI: InChI=1S/C20H32O2/c1-12(2)18(21)11-8-14(4)17-10-6-13(3)16-9-7-15(5)19(16)20(17)22/h7,12,14,17,19-20,22H,6,8-11H2,1-5H3/t14-,17+,19-,20-/m1/s1
SMILES: C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C(=O)[O-])C=C4
InChI: InChI=1S/C21H24N2O4/c24-19(17-14-4-5-15(12-14)18(17)21(26)27)22-16-8-6-13(7-9-16)20(25)23-10-2-1-3-11-23/h4-9,14-15,17-18H,1-3,10-12H2,(H,22,24)(H,26,27)/p-1/t14-,15+,17+,18+/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H]([C@H](O2)OC4=CC=CC=C4C5=CC=CC(=C5)CCOS(=O)(=O)C)OC(O3)(C)C)C
InChI: InChI=1S/C27H34O9S/c1-26(2)30-16-21-22(34-26)23-24(36-27(3,4)35-23)25(33-21)32-20-12-7-6-11-19(20)18-10-8-9-17(15-18)13-14-31-37(5,28)29/h6-12,15,21-25H,13-14,16H2,1-5H3/t21-,22-,23+,24+,25+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H]2C[C@@]3(CC=C2)C[C@@H](CN3[C@H]1CC4=CC=C(C=C4)OC)N(C)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C34H48N2O4Si/c1-6-41(7-2,8-3)40-32-28-15-12-20-34(22-28)23-29(35(4)33(37)39-25-27-13-10-9-11-14-27)24-36(34)31(32)21-26-16-18-30(38-5)19-17-26/h9-19,28-29,31-32H,6-8,20-25H2,1-5H3/t28-,29+,31+,32+,34+/m1/s1
SMILES: CCCCOC1=C(C=C(C=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OC)OC
InChI: InChI=1S/C18H24N2O4S/c1-5-6-9-24-13-8-7-12(10-14(13)22-3)16-15(17(21)23-4)11(2)19-18(25)20-16/h7-8,10,15-16H,2,5-6,9H2,1,3-4H3,(H2,19,20,25)/t15-,16+/m1/s1
SMILES: CC[C@H](C)C1=C(C(=O)[C@H]([C@@]2(O1)[C@@H]([C@@H]([C@H]([C@H](O2)[C@H](C)C=O)C)OC(=O)CC(C)C)C)C)C
InChI: InChI=1S/C25H40O6/c1-10-14(4)22-16(6)21(28)18(8)25(30-22)19(9)24(29-20(27)11-13(2)3)17(7)23(31-25)15(5)12-26/h12-15,17-19,23-24H,10-11H2,1-9H3/t14-,15+,17-,18+,19+,23+,24+,25-/m0/s1
SMILES: CCC[C@@H]1[C@@]2(CC3=C(N1C)C=CC(=C3)[N+](=O)[O-])C(=O)NC(=O)N(C2=O)C(C)C
InChI: InChI=1S/C19H24N4O5/c1-5-6-15-19(16(24)20-18(26)22(11(2)3)17(19)25)10-12-9-13(23(27)28)7-8-14(12)21(15)4/h7-9,11,15H,5-6,10H2,1-4H3,(H,20,24,26)/t15-,19+/m1/s1
SMILES: CC1=CC=C(C=C1)/C=C/C(=O)NC2(CCCC2)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H]4CC[C@H](C4)C(=O)N[C@H]5CCCC[C@@H]5N(C)C.Cl
InChI: InChI=1S/C39H53N5O4.ClH/c1-27-15-17-28(18-16-27)19-22-35(45)43-39(23-9-10-24-39)38(48)42-33(25-29-11-5-4-6-12-29)37(47)40-31-21-20-30(26-31)36(46)41-32-13-7-8-14-34(32)44(2)3;/h4-6,11-12,15-19,22,30-34H,7-10,13-14,20-21,23-26H2,1-3H3,(H,40,47)(H,41,46)(H,42,48)(H,43,45);1H/b22-19+;/t30-,31+,32+,33-,34+;/m1./s1
SMILES: CCOCCOCCC[C@@H]1[C@@](CC[C@@H]2[C@@H](O1)CC[C@]([C@@H](O2)C=O)(C)OCOC)(C)OCOC
InChI: InChI=1S/C24H44O9/c1-6-28-14-15-29-13-7-8-21-23(2,30-17-26-4)11-9-20-19(32-21)10-12-24(3,31-18-27-5)22(16-25)33-20/h16,19-22H,6-15,17-18H2,1-5H3/t19-,20+,21+,22-,23-,24-/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C15H13N3O5/c19-13(9-5-7-10(8-6-9)18(22)23)16-17-14(20)11-3-1-2-4-12(11)15(17)21/h1-2,5-8,11-12H,3-4H2,(H,16,19)/t11-,12-/m0/s1
SMILES: CC(=O)C([C@H]1C=C[C@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)O)C(=O)C
InChI: InChI=1S/C17H30O5Si/c1-11(18)16(12(2)19)14-9-8-13(20)15(22-14)10-21-23(6,7)17(3,4)5/h8-9,13-16,20H,10H2,1-7H3/t13-,14-,15-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C(=O)NC3=CC(=CC=C3)Cl
InChI: InChI=1S/C20H24ClN3O5/c1-12-6-3-4-9-20(12)18(27)24(19(28)23-20)11-16(25)29-13(2)17(26)22-15-8-5-7-14(21)10-15/h5,7-8,10,12-13H,3-4,6,9,11H2,1-2H3,(H,22,26)(H,23,28)/t12-,13+,20-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC[C@@H](C8=CC=CC=C8)O
InChI: InChI=1S/C55H53N3O14/c1-67-30-31-71-54(66)57-42-27-22-34(14-13-21-40(50(62)68-2)51(63)69-3)32-41(42)55(53(57)65)44(49(61)56-33-43(60)35-15-7-4-8-16-35)46-52(64)72-47(37-19-11-6-12-20-37)45(36-17-9-5-10-18-36)58(46)48(55)38-23-25-39(26-24-38)70-29-28-59/h4-12,15-20,22-27,32,40,43-48,59-60H,21,28-31,33H2,1-3H3,(H,56,61)/t43-,44+,45+,46+,47-,48-,55+/m0/s1
SMILES: CCCCCCCN1CC[C@]2([C@@H]([C@@H]1CC3=C2C=C(C=C3)O)C)C
InChI: InChI=1S/C21H33NO/c1-4-5-6-7-8-12-22-13-11-21(3)16(2)20(22)14-17-9-10-18(23)15-19(17)21/h9-10,15-16,20,23H,4-8,11-14H2,1-3H3/t16-,20+,21+/m1/s1
SMILES: CCC[C@@H]1[C@H]2[C@H]([C@@](CO1)([C@@H](C=C2C)C)COC(=O)NC3=CC=CC=C3)C
InChI: InChI=1S/C22H31NO3/c1-5-9-19-20-15(2)12-16(3)22(13-25-19,17(20)4)14-26-21(24)23-18-10-7-6-8-11-18/h6-8,10-12,16-17,19-20H,5,9,13-14H2,1-4H3,(H,23,24)/t16-,17-,19-,20-,22-/m1/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3C[NH2+]CCCO
InChI: InChI=1S/C18H29NO3/c1-12-5-3-6-18(2)10-16-13(9-15(12)18)14(17(21)22-16)11-19-7-4-8-20/h13-14,16,19-20H,3-11H2,1-2H3/p+1/t13-,14-,16-,18-/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC=CO3)(C)C(=O)OC
InChI: InChI=1S/C15H18N2O5/c1-4-17-12(18)9-10(13(17)19)15(2,14(20)21-3)16-11(9)8-6-5-7-22-8/h5-7,9-11,16H,4H2,1-3H3/t9-,10-,11-,15+/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H](NC(=O)NC2=C)C3=CC=C(C=C3)C(=O)OC
InChI: InChI=1S/C21H21N3O5/c1-12-17(19(25)23-15-8-10-16(28-2)11-9-15)18(24-21(27)22-12)13-4-6-14(7-5-13)20(26)29-3/h4-11,17-18H,1H2,2-3H3,(H,23,25)(H2,22,24,27)/t17-,18+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=S)NNC(=O)CN3C(=O)C4=CC=CC=C4C=N3
InChI: InChI=1S/C18H21N5O2S/c24-16(10-23-17(25)14-4-2-1-3-13(14)9-19-23)21-22-18(26)20-15-8-11-5-6-12(15)7-11/h1-4,9,11-12,15H,5-8,10H2,(H,21,24)(H2,20,22,26)/t11-,12+,15-/m0/s1
SMILES: C[C@@]1(CC2=C([C@H]([C@H]1C(=O)OC)C3=CC=C(C=C3)OC)C(=O)NN2)O
InChI: InChI=1S/C17H20N2O5/c1-17(22)8-11-13(15(20)19-18-11)12(14(17)16(21)24-3)9-4-6-10(23-2)7-5-9/h4-7,12,14,22H,8H2,1-3H3,(H2,18,19,20)/t12-,14+,17+/m1/s1
SMILES: C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O)O
InChI: InChI=1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+,16?/m1/s1
SMILES: C1[C@H]2[C@H]1[C@@H]3C=C[C@H]2[C@H]4[C@H]3C(=O)N(C4=O)/N=C\C5=CC=C(O5)C6=C(C=C(C=C6)F)[N+](=O)[O-]
InChI: InChI=1S/C22H16FN3O5/c23-10-1-3-14(17(7-10)26(29)30)18-6-2-11(31-18)9-24-25-21(27)19-12-4-5-13(16-8-15(12)16)20(19)22(25)28/h1-7,9,12-13,15-16,19-20H,8H2/b24-9-/t12-,13+,15-,16-,19+,20+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=CC=C2N)C(C)C
InChI: InChI=1S/C19H27NO4/c1-12(2)14-9-8-13(3)10-17(14)24-18(21)11-23-19(22)15-6-4-5-7-16(15)20/h4-7,12-14,17H,8-11,20H2,1-3H3/t13-,14+,17+/m0/s1
SMILES: CC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@H]4[C@@H](O3)OC5=CC=CC=C45
InChI: InChI=1S/C18H13NO4/c1-10(20)19-13-8-4-3-7-12(13)18(17(19)21)15-11-6-2-5-9-14(11)22-16(15)23-18/h2-9,15-16H,1H3/t15-,16-,18+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2C[C@H]2/C(=N\OC(=O)C3=CC=C(C=C3)OC)/C4=CC=CC=N4
InChI: InChI=1S/C24H22N2O4/c1-28-18-10-6-16(7-11-18)20-15-21(20)23(22-5-3-4-14-25-22)26-30-24(27)17-8-12-19(29-2)13-9-17/h3-14,20-21H,15H2,1-2H3/b26-23+/t20-,21-/m1/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCC(CC4)C)C
InChI: InChI=1S/C21H33NO2/c1-14-6-9-22(10-7-14)13-17-16-11-18-15(2)5-4-8-21(18,3)12-19(16)24-20(17)23/h11,14-17,19H,4-10,12-13H2,1-3H3/t15-,16+,17+,19+,21+/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C3=CC=CC=C3)C(=O)OC)O)C(=O)OC
InChI: InChI=1S/C25H28O11/c1-12-11-14-15(21(27)32-2)19(36-20(26)13-9-7-6-8-10-13)18(24(30)35-5)25(31,16(12)22(28)33-3)17(14)23(29)34-4/h6-10,12,14,16-18,31H,11H2,1-5H3/t12-,14+,16-,17-,18?,25-/m1/s1
SMILES: CCOP(=S)(OCC)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C31H39O7PS2/c1-3-36-39(40,37-4-2)41-31-28(32)30(35-22-26-18-12-7-13-19-26)29(34-21-25-16-10-6-11-17-25)27(38-31)23-33-20-24-14-8-5-9-15-24/h5-19,27-32H,3-4,20-23H2,1-2H3/t27-,28-,29-,30-,31+/m1/s1
SMILES: CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC/C=C/CCC(=O)OC)O)O
InChI: InChI=1S/C22H36O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h6-7,10,12,17-18,20,24,26H,4-5,8-9,11,13-16H2,1-3H3/b7-6+,12-10+/t17-,18-,20-,22+/m1/s1
SMILES: C[C@@H](C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C22H34N2O12/c1-10(23-21(30)36-22(6,7)8)19(29)24-20-18(34-14(5)28)17(33-13(4)27)16(32-12(3)26)15(35-20)9-31-11(2)25/h10,15-18,20H,9H2,1-8H3,(H,23,30)(H,24,29)/t10-,15+,16+,17-,18+,20+/m0/s1
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)[C@H]3C[C@@H]3C
InChI: InChI=1S/C20H21NO5S/c1-3-25-20(24)17-15(13-7-5-4-6-8-13)11-27-18(17)21-16(22)10-26-19(23)14-9-12(14)2/h4-8,11-12,14H,3,9-10H2,1-2H3,(H,21,22)/t12-,14-/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@H](O2)/C=C/C=C/C3(CC4=C(C(=CC(=C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O1)SCCCS3
InChI: InChI=1S/C43H56O5S2Si2/c1-31-27-37-36(46-37)23-16-17-24-43(49-25-18-26-50-43)30-32-28-33(29-38(39(32)40(44)45-31)48-51(8,9)41(2,3)4)47-52(42(5,6)7,34-19-12-10-13-20-34)35-21-14-11-15-22-35/h10-17,19-24,28-29,31,36-37H,18,25-27,30H2,1-9H3/b23-16+,24-17+/t31-,36-,37-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O
InChI: InChI=1S/C24H38O5/c1-21(2)28-20-12-18-16-6-5-14-11-15(26)7-9-22(14,3)17(16)8-10-23(18,4)24(20,29-21)19(27)13-25/h14-18,20,25-26H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,20+,22-,23-,24+/m0/s1
SMILES: CC(C)C1=CC(=CO1)[C@@H]2[C@@]([C@@H]3[C@H](O2)OC(O3)(C)C)(C)OCC4=CC=CC=C4
InChI: InChI=1S/C22H28O5/c1-14(2)17-11-16(13-23-17)18-22(5,24-12-15-9-7-6-8-10-15)19-20(25-18)27-21(3,4)26-19/h6-11,13-14,18-20H,12H2,1-5H3/t18-,19+,20-,22-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(OP(=O)(C(F)(F)P(=O)(O)O)O)S)N=[N+]=[N-]
InChI: InChI=1S/C11H16F2N5O10P3S2/c1-5-3-18(10(20)15-9(5)19)8-2-6(16-17-14)7(27-8)4-26-31(32,33)28-30(24,25)11(12,13)29(21,22)23/h3,6-8H,2,4H2,1H3,(H,24,25)(H,32,33)(H,15,19,20)(H2,21,22,23)/t6-,7+,8+/m0/s1
SMILES: C/C(=C\CC(/C(=C/CCC1(C(/C(=C(\C)/C=O)/CC[C@]1(C)O)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C)/C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CCC(=O)C(C)(C)O
InChI: InChI=1S/C42H70O16/c1-23(13-15-31(46)40(4,5)53)12-14-28(56-39-37(52)35(50)33(48)30(22-45)58-39)24(2)10-8-17-41(6)27(26(25(3)20-43)16-18-42(41,7)54)11-9-19-55-38-36(51)34(49)32(47)29(21-44)57-38/h10,12,20,27-30,32-39,44-45,47-54H,8-9,11,13-19,21-22H2,1-7H3/b23-12+,24-10+,26-25+/t27?,28?,29-,30-,32-,33-,34+,35+,36-,37-,38-,39-,41?,42+/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3(CC4=C([C@H]([C@@H]3[C@H]2OC1=O)C)N=C(S4)NC(=O)C5=CC=CO5)C
InChI: InChI=1S/C21H24N2O4S/c1-10-12-6-7-21(3)9-14-16(11(2)15(21)17(12)27-19(10)25)22-20(28-14)23-18(24)13-5-4-8-26-13/h4-5,8,10-12,15,17H,6-7,9H2,1-3H3,(H,22,23,24)/t10-,11-,12-,15+,17-,21-/m0/s1
SMILES: CCN1C[C@]2(CC[C@@H]([C@]34[C@@H]2[C@@H]([C@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C.CCO.OCl(=O)(=O)=O
InChI: InChI=1S/C37H50N2O10.C2H6O.ClHO4/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36;1-2-3;2-1(3,4)5/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3;3H,2H2,1H3;(H,2,3,4,5)/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34+,35+,36+,37-;;/m0../s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br)Cl
InChI: InChI=1S/C25H16Br2ClNO2/c1-13-10-11-14(12-19(13)28)29-22(30)20-21(23(29)31)25(27)16-7-3-2-6-15(16)24(20,26)17-8-4-5-9-18(17)25/h2-12,20-21H,1H3/t20-,21-,24?,25?/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5OC)OC)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=CC=C8
InChI: InChI=1S/C43H41N5O7/c1-43-33(40(51)48(42(43)53)27-9-7-6-8-10-27)23-32-30(38(43)37-34(49)21-29(54-4)22-35(37)55-5)19-20-31-36(32)41(52)47(39(31)50)28-17-13-25(14-18-28)45-44-24-11-15-26(16-12-24)46(2)3/h6-19,21-22,31-33,36,38,49H,20,23H2,1-5H3/t31-,32+,33-,36-,38+,43+/m0/s1
SMILES: C[C@H]1CC[C@]2(CCC[C@H](O2)CC[C@H](C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[C@@H]1CCCO
InChI: InChI=1S/C34H52O4Si/c1-27(20-21-29-14-12-23-34(37-29)24-22-28(2)32(38-34)19-13-25-35)26-36-39(33(3,4)5,30-15-8-6-9-16-30)31-17-10-7-11-18-31/h6-11,15-18,27-29,32,35H,12-14,19-26H2,1-5H3/t27-,28-,29-,32+,34-/m0/s1
SMILES: CC1=C2[C@@H]([C@@H](CC[C@]2([C@@H](C[C@H]1O)O)C)C(C)C)O
InChI: InChI=1S/C15H26O3/c1-8(2)10-5-6-15(4)12(17)7-11(16)9(3)13(15)14(10)18/h8,10-12,14,16-18H,5-7H2,1-4H3/t10-,11+,12+,14+,15-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CCC4=C3C=CC(=C4)C(=O)OC
InChI: InChI=1S/C25H35NO3/c1-24(2,3)26-22(27)21-11-10-20-19-9-6-15-14-16(23(28)29-5)7-8-17(15)18(19)12-13-25(20,21)4/h7-8,14,18-21H,6,9-13H2,1-5H3,(H,26,27)/t18-,19-,20+,21-,25+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C[C@H]4[C@@H]3SC5=C(S4)SC(=S)S5
InChI: InChI=1S/C13H12S5/c14-13-17-11-12(18-13)16-10-8(15-11)4-7-5-1-2-6(3-5)9(7)10/h1-2,5-10H,3-4H2/t5-,6+,7+,8-,9-,10-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](CC(=O)N2CC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C19H19NO4/c1-24-15-9-7-14(8-10-15)18-16(19(22)23)11-17(21)20(18)12-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3,(H,22,23)/t16-,18+/m0/s1
SMILES: C#CCNC(=O)C(CCC(=O)O)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
InChI: InChI=1S/C18H26N4O5S/c1-2-9-19-17(26)11(7-8-15(24)25)20-14(23)6-4-3-5-13-16-12(10-28-13)21-18(27)22-16/h1,11-13,16H,3-10H2,(H,19,26)(H,20,23)(H,24,25)(H2,21,22,27)/t11?,12-,13-,16-/m0/s1
SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)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
InChI: InChI=1S/C31H28O15/c32-16-9-19(35)24-20(10-16)44-29(15-6-7-17(33)18(34)8-15)30(26(24)39)46-31-28(41)27(40)25(38)21(45-31)13-43-23(37)11-22(36)42-12-14-4-2-1-3-5-14/h1-10,21,25,27-28,31-35,38,40-41H,11-13H2/t21-,25-,27+,28-,31+/m1/s1
SMILES: CC1=C(C(=NC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O
InChI: InChI=1S/C34H41N3O7/c1-22-13-15-35-23(2)32(22)42-21-31(39)36-26(17-24-9-5-3-6-10-24)19-29(38)28(18-25-11-7-4-8-12-25)37-34(40)44-30-20-43-33-27(30)14-16-41-33/h3-13,15,26-30,33,38H,14,16-21H2,1-2H3,(H,36,39)(H,37,40)/t26-,27-,28-,29-,30-,33+/m0/s1
SMILES: CCCCC1[C@H]2CCO[C@]34[C@H]2[C@H]([C@@]5([C@H]1[C@H]3[C@@](C5)(CO4)CC)C(=O)OC)C(=O)OC
InChI: InChI=1S/C23H34O6/c1-5-7-8-13-14-9-10-28-23-15(14)17(19(24)26-3)22(20(25)27-4)11-21(6-2,12-29-23)18(23)16(13)22/h13-18H,5-12H2,1-4H3/t13?,14-,15-,16-,17+,18+,21+,22-,23+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)CCN(C)C.Cl
InChI: InChI=1S/C27H43NO8.ClH/c1-10-24(5)15-18(31)27(33)25(6)17(30)11-13-23(3,4)21(25)20(35-19(32)12-14-28(8)9)22(34-16(2)29)26(27,7)36-24;/h10,17,20-22,30,33H,1,11-15H2,2-9H3;1H/t17-,20-,21-,22-,24-,25-,26+,27-;/m0./s1
SMILES: CC1=C[C@H]2[C@@H]3[C@H]([C@@H]1P2(=O)C4=C(C=C(C=C4C)C(C)(C)C)C(C)(C)C)C(=CP3(=O)C5=C(C=C(C=C5C)C(C)(C)C)C(C)(C)C)C
InChI: InChI=1S/C40H58O2P2/c1-23-17-27(37(5,6)7)20-29(39(11,12)13)33(23)43(41)22-26(4)32-35-25(3)19-31(36(32)43)44(35,42)34-24(2)18-28(38(8,9)10)21-30(34)40(14,15)16/h17-22,31-32,35-36H,1-16H3/t31-,32-,35+,36+,43?,44?/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C(=C)[C@H]1CC[C@H](C2CCCCC2)O
InChI: InChI=1S/C21H38O3Si/c1-15-17(12-13-18(22)16-10-8-7-9-11-16)20(14-19(15)23)24-25(5,6)21(2,3)4/h16-18,20,22H,1,7-14H2,2-6H3/t17-,18-,20-/m1/s1
SMILES: C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)CN3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C21H28N2O2/c1-15(20-13-17-8-3-5-11-19(17)25-20)22-21(24)14-23-12-6-9-16-7-2-4-10-18(16)23/h3,5,8,11,13,15-16,18H,2,4,6-7,9-10,12,14H2,1H3,(H,22,24)/t15-,16-,18+/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C[C@@]4([C@@H](O4)[C@@]56[C@@]1(C3=O)C=C([C@@H]5OC(O6)(C)C)C)CS(=O)(=O)C7=CC=CC=C7
InChI: InChI=1S/C29H36O6S/c1-16-13-28-17(2)12-20-21(25(20,3)4)19(22(28)30)14-27(15-36(31,32)18-10-8-7-9-11-18)24(34-27)29(28)23(16)33-26(5,6)35-29/h7-11,13,17,19-21,23-24H,12,14-15H2,1-6H3/t17-,19+,20-,21+,23+,24-,27+,28+,29-/m1/s1
SMILES: C1C[C@@H]2[C@@H](NC3=CC=CC=C3[C@@H]2OC1)C4=CC=C(C=C4)Br
InChI: InChI=1S/C18H18BrNO/c19-13-9-7-12(8-10-13)17-15-5-3-11-21-18(15)14-4-1-2-6-16(14)20-17/h1-2,4,6-10,15,17-18,20H,3,5,11H2/t15-,17+,18+/m1/s1
SMILES: CCCCCCCCN(CC(CO)O)C(=O)C[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C
InChI: InChI=1S/C28H49NO7/c1-5-6-7-8-9-10-15-29(17-21(31)18-30)25(32)16-24-20(3)23-12-11-19(2)22-13-14-27(4)34-26(33-24)28(22,23)36-35-27/h19-24,26,30-31H,5-18H2,1-4H3/t19-,20-,21?,22+,23+,24-,26-,27-,28-/m1/s1
SMILES: COC1=CC(=CC(=C1)NC(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C#C)OC
InChI: InChI=1S/C19H25N3O3/c1-4-13-12-22-6-5-14(13)7-16(22)11-20-19(23)21-15-8-17(24-2)10-18(9-15)25-3/h1,8-10,13-14,16H,5-7,11-12H2,2-3H3,(H2,20,21,23)/p+1/t13-,14-,16+/m0/s1