EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)CCCC(C)[C@H]1CC=C2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h12,18-21,23,28H,6-11,13-17H2,1-5H3/t19?,20?,21-,23+,26-,27+/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]([C@H]3CC=C2C1)CC[C@]4(C#C)O)C)C
InChI: InChI=1S/C23H32O3/c1-5-23(25)13-10-20-18-7-6-16-14-17(26-15(2)24)8-11-21(16,3)19(18)9-12-22(20,23)4/h1,6,17-20,25H,7-14H2,2-4H3/t17-,18+,19-,20-,21+,22-,23+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)CCCCCCC(=O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(C)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC6=CC=CC(=N6)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C54H75N3O7/c1-5-7-8-9-10-11-12-13-17-29-51(60)57(4)50-37-48(56-63-38-41-24-15-14-16-25-41)46-35-42(26-18-20-32-58)45(28-19-21-33-59)52-47-36-44(61-39-43-27-22-23-40(3)55-43)30-31-49(47)64-54(50,53(46)52)62-34-6-2/h6,14-16,22-25,27,30-31,35-36,42,45,50,52-53,58-59H,2,5,7-13,17-21,26,28-29,32-34,37-39H2,1,3-4H3/t42-,45+,50-,52+,53+,54+/m0/s1
SMILES: CCN(CC)CC1=CC=C(C=C1)C(=O)O[C@H]2[C@@H](C3CC[C@H](C4[C@]35[C@H](O2)O[C@](CC4)(OO5)C)C)C
InChI: InChI=1S/C27H39NO6/c1-6-28(7-2)16-19-9-11-20(12-10-19)23(29)30-24-18(4)22-13-8-17(3)21-14-15-26(5)32-25(31-24)27(21,22)34-33-26/h9-12,17-18,21-22,24-25H,6-8,13-16H2,1-5H3/t17-,18-,21?,22?,24-,25-,26+,27-/m1/s1
SMILES: CC(C=O)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C
InChI: InChI=1S/C32H52O3/c1-20(19-33)22-11-14-29(5)17-18-31(7)23(27(22)29)9-10-25-30(6)15-13-26(35-21(2)34)28(3,4)24(30)12-16-32(25,31)8/h19-20,22-27H,9-18H2,1-8H3/t20?,22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)OCC=C)CSC4=CC=CC=C4OC
InChI: InChI=1S/C30H33NO6S/c1-4-16-35-30(33)31-24-9-7-8-23(17-24)29-36-26(19-38-27-11-6-5-10-25(27)34-3)20(2)28(37-29)22-14-12-21(18-32)13-15-22/h4-15,17,20,26,28-29,32H,1,16,18-19H2,2-3H3,(H,31,33)/t20-,26+,28+,29+/m1/s1
SMILES: C[C@@H](CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C[C@H]([C@@H]5[C@H]4OC(=O)C5)O)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C52H50O5/c1-38(21-20-34-55-51(40-22-8-2-9-23-40,41-24-10-3-11-25-41)42-26-12-4-13-27-42)49-39(35-47(53)46-36-48(54)57-50(46)49)37-56-52(43-28-14-5-15-29-43,44-30-16-6-17-31-44)45-32-18-7-19-33-45/h2-19,22-33,38,46-47,50,53H,20-21,34-37H2,1H3/t38-,46+,47+,50+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CSC(=N2)C3=CC=CS3
InChI: InChI=1S/C18H22N2O3S2/c1-11-6-3-4-7-13(11)19-16(21)12(2)23-18(22)14-10-25-17(20-14)15-8-5-9-24-15/h5,8-13H,3-4,6-7H2,1-2H3,(H,19,21)/t11-,12+,13+/m0/s1
SMILES: CCCCCCCCCCCCSC(CCOP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O)O)OCCCCCCCCCC
InChI: InChI=1S/C35H63FN5O8PS/c1-3-5-7-9-11-13-14-16-18-20-24-51-28(46-22-19-17-15-12-10-8-6-4-2)21-23-47-50(44,45)48-25-27-30(42)31(43)34(49-27)41-26-38-29-32(37)39-35(36)40-33(29)41/h26-28,30-31,34,42-43H,3-25H2,1-2H3,(H,44,45)(H2,37,39,40)/t27-,28?,30-,31+,34-/m1/s1
SMILES: COC(=O)C1=CC(=CC=C1)NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)OC5=CC=CC(=C5)N6CCOCC6
InChI: InChI=1S/C26H29N7O6S/c1-35-24(34)16-4-2-5-17(12-16)27-25(40)28-20-14-37-23-21(15-38-22(20)23)33-26(29-30-31-33)39-19-7-3-6-18(13-19)32-8-10-36-11-9-32/h2-7,12-13,20-23H,8-11,14-15H2,1H3,(H2,27,28,40)/t20-,21-,22+,23+/m0/s1
SMILES: CC1=C2C(=NC(=N1)C)O[C@@H]3[C@H](C[C@@H](C3=N2)CCCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)CCOC(=O)C(C)(C)C
InChI: InChI=1S/C37H49N3O4Si/c1-25-31-34(39-26(2)38-25)44-33-28(21-23-42-35(41)36(3,4)5)24-27(32(33)40-31)16-15-22-43-45(37(6,7)8,29-17-11-9-12-18-29)30-19-13-10-14-20-30/h9-14,17-20,27-28,33H,15-16,21-24H2,1-8H3/t27-,28-,33+/m0/s1
SMILES: C[C@H]1CCC[C@H]2[C@H](O2)C[C@H](OC(=O)C[C@@H](C3(CC3)C(=O)[C@H]([C@@H]1O)C)O)/C(=C/C4=CSC(=N4)C)/C
InChI: InChI=1S/C26H37NO6S/c1-14-6-5-7-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(8-9-26)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,5-9,11-12H2,1-4H3/b15-10+/t14-,16-,19-,20-,21+,22-,24+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)C(=O)OC
InChI: InChI=1S/C23H19Cl2N3O5S/c1-32-14-6-3-12(4-7-14)19-15(10-26)22(28-21(30)20(19)23(31)33-2)34-11-18(29)27-17-8-5-13(24)9-16(17)25/h3-9,19-20H,11H2,1-2H3,(H,27,29)(H,28,30)/t19-,20+/m0/s1
SMILES: C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O)\C)O)OC)COCC2=CC=CC=C2)\C)\C)\C
InChI: InChI=1S/C33H46O6/c1-23-11-10-14-31(35)32(37-6)20-29(22-38-21-28-12-8-7-9-13-28)39-33(36)27(5)19-25(3)17-24(2)18-26(4)30(34)16-15-23/h7-9,11-13,15-19,26,29-32,34-35H,10,14,20-22H2,1-6H3/b16-15+,23-11+,24-18+,25-17+,27-19+/t26-,29+,30-,31+,32+/m1/s1
SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C24H24N2O5/c1-15(17-12-6-8-16-7-2-3-9-18(16)17)25-21(27)14-31-22(28)13-26-23(29)19-10-4-5-11-20(19)24(26)30/h2-9,12,15,19-20H,10-11,13-14H2,1H3,(H,25,27)/t15-,19-,20+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C37H45N5O6Si/c1-36(2,3)49(6,7)48-32-31(43)29(47-35(32)42-23-41-30-33(38)39-22-40-34(30)42)21-46-37(24-11-9-8-10-12-24,25-13-17-27(44-4)18-14-25)26-15-19-28(45-5)20-16-26/h8-20,22-23,29,31-32,35,43H,21H2,1-7H3,(H2,38,39,40)/t29-,31-,32-,35-/m1/s1
SMILES: COCOC1CC2C[C@@H]([C@@H](C1N2)C(=O)OC)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H21Cl2NO4/c1-22-8-24-14-7-10-6-11(9-3-4-12(18)13(19)5-9)15(16(14)20-10)17(21)23-2/h3-5,10-11,14-16,20H,6-8H2,1-2H3/t10?,11-,14?,15+,16?/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC=C)SCC3=C(N=CC=C3)Cl)O
InChI: InChI=1S/C18H19ClN2O4S/c1-3-7-25-18(24)15-13(26-9-11-5-4-6-20-16(11)19)8-12-14(10(2)22)17(23)21(12)15/h3-6,10,12,14,22H,1,7-9H2,2H3/t10-,12-,14-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=C(C=C5)OC)CC
InChI: InChI=1S/C45H69N5O11/c1-13-34-45(14-2)39(50(43(55)61-45)20-16-15-19-49-24-32(47-25-49)31-17-18-35(56-11)46-23-31)28(5)36(51)26(3)22-44(8,57-12)40(29(6)37(52)30(7)41(54)59-34)60-42-38(53)33(48(9)10)21-27(4)58-42/h17-18,23-30,33-34,38-40,42,53H,13-16,19-22H2,1-12H3/t26-,27-,28+,29+,30-,33+,34-,38-,39+,40-,42?,44+,45-/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC(=CC=C6)C=CC7CCC8C(C7)O8)OC(O5)(C9=CC=CC=C9)C1=CC=CC=C1
InChI: InChI=1S/C51H59N3O11/c1-49(2,3)62-41(56)24-22-36(30-55)52-46(57)37-18-11-25-53(37)48(59)50-28-40-42-43(64-51(63-42,34-14-6-4-7-15-34)35-16-8-5-9-17-35)45(50)65-54(44(50)47(58)61-40)29-33-13-10-12-31(26-33)19-20-32-21-23-38-39(27-32)60-38/h4-10,12-17,19-20,26,32,36-40,42-45,55H,11,18,21-25,27-30H2,1-3H3,(H,52,57)/t32?,36-,37+,38?,39?,40+,42-,43-,44-,45+,50-/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@@H]([C@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C26H15BrClNO5/c27-14-7-11-16(12-8-14)29-24(32)19-20(25(29)33)26(34-21(19)13-5-9-15(28)10-6-13)22(30)17-3-1-2-4-18(17)23(26)31/h1-12,19-21H/t19-,20-,21+/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)C(=O)N2[C@H]3CC[NH+](C[C@H]3C4=C2C=CC(=C4)C)C
InChI: InChI=1S/C24H30N2O2/c1-4-5-14-28-19-9-7-18(8-10-19)24(27)26-22-11-6-17(2)15-20(22)21-16-25(3)13-12-23(21)26/h6-11,15,21,23H,4-5,12-14,16H2,1-3H3/p+1/t21-,23-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O1)[C@H]([C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)O)OCC=C)OCC4=CC=CC=C4)C
InChI: InChI=1S/C26H32O6/c1-4-15-28-21-20(27)22(29-16-18-11-7-5-8-12-18)24-25(32-26(2,3)31-24)23(21)30-17-19-13-9-6-10-14-19/h4-14,20-25,27H,1,15-17H2,2-3H3/t20-,21-,22+,23+,24-,25-/m1/s1
SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@H]4O
InChI: InChI=1S/C20H22O6/c1-11(12-3-4-14-8-15(23-2)6-5-13(14)7-12)20(22)26-17-10-25-18-16(21)9-24-19(17)18/h3-8,11,16-19,21H,9-10H2,1-2H3/t11?,16-,17+,18-,19-/m1/s1
SMILES: C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C.CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
InChI: InChI=1S/C17H20N4O6.C15H20O3/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15;1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27);5,11-13H,2,4,6-8H2,1,3H3/b;9-5+/t11-,12+,14-;11-,12-,13-,15+/m00/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)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
InChI: InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21?,22-,23+,24+,25+,27+,28+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CI
InChI: InChI=1S/C23H20IN3O7S/c24-10-15-13-35-22-19(25-18(28)12-33-17-4-2-1-3-5-17)21(29)26(22)20(15)23(30)34-11-14-6-8-16(9-7-14)27(31)32/h1-9,19,22H,10-13H2,(H,25,28)/t19-,22-/m1/s1
SMILES: CCOCC1=CC2=C(C=C1)N3C4C[C@@]([C@](O4)(N5C6=C(C=C(C=C6)COCC)C7=C8CNC(=O)C8=C2C3=C75)C)(C(=O)OC)O
InChI: InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-42-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)43-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1
SMILES: CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(C4=C(C(=C(C=C4)C)C)NC3=O)[NH2+][C@@H]2[C@@H](C)O
InChI: InChI=1S/C21H27N3O4/c1-6-10(3)24-18(26)14-15(19(24)27)21(23-17(14)12(5)25)13-8-7-9(2)11(4)16(13)22-20(21)28/h7-8,10,12,14-15,17,23,25H,6H2,1-5H3,(H,22,28)/p+1/t10-,12-,14+,15+,17-,21-/m1/s1
SMILES: CC1=C(C(=C(S1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)C(=O)OC)C3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C24H27NO5S/c1-13(2)15-9-11-16(12-10-15)19-14(3)31-22(20(19)24(29)30-4)25-21(26)17-7-5-6-8-18(17)23(27)28/h5-6,9-13,17-18H,7-8H2,1-4H3,(H,25,26)(H,27,28)/t17-,18+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@]2([C@H]3[C@@]2(C(=O)OC4=C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6)C
InChI: InChI=1S/C30H22O4/c1-18-12-14-21(15-13-18)26(31)29(2)25-24-22-11-7-6-8-19(22)16-17-23(24)34-28(33)30(25,29)27(32)20-9-4-3-5-10-20/h3-17,25H,1-2H3/t25-,29+,30-/m0/s1
SMILES: CC(=CCC[C@](C)([C@H]1CC[C@@]2(C1[C@@H](CC3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C
InChI: InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24?,25-,26?,27+,28-,29+,30-,31+,33+,34+,35+,36+/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4([C@@H](C[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)C)O2)C(C)(C)O
InChI: InChI=1S/C35H56O10/c1-16-12-18-26(30(4,5)41)45-35(44-18)25(16)32(7)21(37)13-34-15-33(34)11-10-22(43-27-24(39)23(38)17(36)14-42-27)29(2,3)19(33)8-9-20(34)31(32,6)28(35)40/h16-28,36-41H,8-15H2,1-7H3/t16-,17-,18-,19+,20+,21-,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CSC3=NN=C(N3N)C4=CC=CO4
InChI: InChI=1S/C17H23N5O2S/c18-22-16(14-6-3-9-24-14)19-20-17(22)25-11-15(23)21-8-7-12-4-1-2-5-13(12)10-21/h3,6,9,12-13H,1-2,4-5,7-8,10-11,18H2/t12-,13+/m1/s1
SMILES: CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CC[C@@H]([C@H]2C(=O)N1)C)CC(C)C)C)C)C(C)C)C
InChI: InChI=1S/C31H53N5O7/c1-11-19(6)24-30(41)35(10)25(18(4)5)31(42)34(9)21(8)27(38)32-14-12-23(37)43-22(16-17(2)3)29(40)36-15-13-20(7)26(36)28(39)33-24/h17-22,24-26H,11-16H2,1-10H3,(H,32,38)(H,33,39)/t19-,20-,21-,22+,24-,25-,26-/m0/s1
SMILES: CC[C@@H]1[C@H]([C@H](CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=CC=CC=N2)/C)/C)C)O
InChI: InChI=1S/C29H43NO5/c1-7-23-27(33)20(3)12-10-11-19(2)14-15-24(21(4)17-22-13-8-9-16-30-22)35-26(32)18-25(31)29(5,6)28(23)34/h8-9,13-14,16-17,20,23-25,27,31,33H,7,10-12,15,18H2,1-6H3/b19-14-,21-17+/t20-,23+,24-,25-,27-/m0/s1
SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CN1CCCS[C@H](C(=O)N[C@@H](C1=O)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCC(=O)O
InChI: InChI=1S/C47H88N2O10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-37(29-26-24-22-20-18-16-14-12-10-8-6-4-2)34-49-32-27-33-60-40(30-31-41(51)52)45(56)48-38(46(49)57)36-58-47-44(55)43(54)42(53)39(35-50)59-47/h37-40,42-44,47,50,53-55H,3-36H2,1-2H3,(H,48,56)(H,51,52)/t38-,39-,40+,42-,43+,44+,47+/m1/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OCF)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C/C=C/CO
InChI: InChI=1S/C44H40FN5O7S2/c1-55-34-22-20-29(21-23-34)25-56-42(54)38-30(13-11-12-24-51)26-58-41-37(40(53)50(38)41)47-39(52)36(49-57-28-45)35-27-59-43(46-35)48-44(31-14-5-2-6-15-31,32-16-7-3-8-17-32)33-18-9-4-10-19-33/h2-12,14-23,27,37,41,51H,13,24-26,28H2,1H3,(H,46,48)(H,47,52)/b12-11+,49-36-/t37-,41-/m1/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC[C@H]2[C@H](CO[C@@H]2C3=CC(=C(C(=C3)OC)OC(=O)C)OC)CC4=CC(=C(C(=C4)OC)OC(=O)C)OC
InChI: InChI=1S/C37H46O17/c1-18(38)50-31-17-49-37(36(54-22(5)42)35(31)53-21(4)41)48-16-26-25(10-23-11-27(43-6)33(51-19(2)39)28(12-23)44-7)15-47-32(26)24-13-29(45-8)34(52-20(3)40)30(14-24)46-9/h11-14,25-26,31-32,35-37H,10,15-17H2,1-9H3/t25-,26-,31+,32+,35-,36+,37+/m0/s1
SMILES: CC(=O)C[C@H]1[C@@H]([C@@H]([C@@H](O[C@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
InChI: InChI=1S/C18H28N2O17P2/c1-7(22)4-8-12(24)13(25)9(5-21)35-17(8)36-39(31,32)37-38(29,30)33-6-10-14(26)15(27)16(34-10)20-3-2-11(23)19-18(20)28/h2-3,8-10,12-17,21,24-27H,4-6H2,1H3,(H,29,30)(H,31,32)(H,19,23,28)/t8-,9-,10+,12-,13+,14+,15+,16?,17-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C20H27N3O4S/c1-12-7-5-6-8-15(12)21-18(24)13(2)28-20-23-22-19(27-20)14-9-10-16(25-3)17(11-14)26-4/h9-13,15H,5-8H2,1-4H3,(H,21,24)/t12-,13+,15+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H](CC1OC)C2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-14(22-4)11-13(15(19)16(20)23-5)12-9-7-6-8-10-12/h6-10,13-15H,11H2,1-5H3/t13-,14?,15+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CC3=CC=CC=C3)CO)N=[N+]=[N-]
InChI: InChI=1S/C16H18N6O3/c17-15-11(6-10-4-2-1-3-5-10)8-22(16(24)19-15)14-7-12(20-21-18)13(9-23)25-14/h1-5,8,12-14,23H,6-7,9H2,(H2,17,19,24)/t12-,13+,14+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5OC
InChI: InChI=1S/C25H22N2O4/c1-16-12-14-17(15-13-16)26-24(28)21-22(19-10-6-7-11-20(19)30-2)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: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H20ClNO4/c1-13-6-11-16-17(12-13)21(26)24(20(16)25)18-4-2-3-5-19(18)28-22(27)14-7-9-15(23)10-8-14/h2-5,7-10,13,16-17H,6,11-12H2,1H3/t13-,16-,17+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C23H28N2O4/c1-15-7-3-6-10-20(15)25-22(27)16(2)29-21(26)14-24-23(28)19-12-11-17-8-4-5-9-18(17)13-19/h4-5,8-9,11-13,15-16,20H,3,6-7,10,14H2,1-2H3,(H,24,28)(H,25,27)/t15-,16+,20+/m0/s1
SMILES: CC(C)(CN(C(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=C(S2)Br)O)O)O)S(=O)(=O)C)C(=O)OC
InChI: InChI=1S/C28H42BrNO8S2/c1-28(2,27(35)38-3)18-30(40(4,36)37)26(34)10-8-6-5-7-9-21-22(24(33)17-23(21)32)15-12-19(31)11-13-20-14-16-25(29)39-20/h5,7,12,14-16,19,21-24,31-33H,6,8-11,13,17-18H2,1-4H3/b7-5+,15-12+/t19-,21+,22+,23-,24+/m0/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)Cl)O)C(=O)N(C5=O)C7=CC=C(C=C7)C(=O)C
InChI: InChI=1S/C36H29ClN2O7/c1-17(40)19-3-8-22(9-4-19)38-33(43)25-13-12-24-26(31(25)35(38)45)16-28-32(30(24)27-15-21(37)7-14-29(27)42)36(46)39(34(28)44)23-10-5-20(6-11-23)18(2)41/h3-12,14-15,25-26,28,30-32,42H,13,16H2,1-2H3/t25-,26+,28+,30+,31-,32+/m0/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C(=O)N1CCC4=CNC5=CC=CC=C54)C(=O)[O-]
InChI: InChI=1S/C19H18N2O4/c22-17-16-15(18(23)24)14-5-7-19(16,25-14)10-21(17)8-6-11-9-20-13-4-2-1-3-12(11)13/h1-5,7,9,14-16,20H,6,8,10H2,(H,23,24)/p-1/t14-,15-,16+,19-/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@H](C3=CC=CC=C3)N)SC1)C(=O)O
InChI: InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13+,17+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C3([C@@H]4N2C5=C(C=C4)C=C(C=C5)F)C(=O)C6=CC=CC=C6C3=O)C7=CC=CC=C7
InChI: InChI=1S/C34H24FNO3/c1-20-11-13-22(14-12-20)31(37)30-29(21-7-3-2-4-8-21)34(32(38)25-9-5-6-10-26(25)33(34)39)28-18-15-23-19-24(35)16-17-27(23)36(28)30/h2-19,28-30H,1H3/t28-,29-,30+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C
InChI: InChI=1S/C18H24N2O5/c1-11-7-4-5-9-15(11)19-17(21)13(3)25-18(22)14-8-6-10-16(12(14)2)20(23)24/h6,8,10-11,13,15H,4-5,7,9H2,1-3H3,(H,19,21)/t11-,13+,15+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@H]([C@H](N2C(=O)O1)O)O)O)O
InChI: InChI=1S/C7H11NO6/c9-3-2-1-14-7(13)8(2)6(12)5(11)4(3)10/h2-6,9-12H,1H2/t2-,3-,4-,5-,6-/m1/s1
SMILES: CCOC1=CC=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C22H23NO3/c1-3-26-19-9-5-8-18-16-6-4-7-17(16)20(23-21(18)19)14-10-12-15(13-11-14)22(24)25-2/h4-6,8-13,16-17,20,23H,3,7H2,1-2H3/t16-,17+,20-/m0/s1
SMILES: C1=CC(=C(C=C1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)N)Cl
InChI: InChI=1S/C25H38ClNO16/c26-9-2-1-8(3-10(9)27)7-38-23-19(36)16(33)21(12(5-29)40-23)43-25-20(37)17(34)22(13(6-30)41-25)42-24-18(35)15(32)14(31)11(4-28)39-24/h1-3,11-25,28-37H,4-7,27H2/t11-,12-,13-,14-,15+,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+/m1/s1
SMILES: COC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)N[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C19H23N3O4S/c1-24-14-4-6-15(7-5-14)25-10-18-21-22-19(26-18)27-11-17(23)20-16-9-12-2-3-13(16)8-12/h4-7,12-13,16H,2-3,8-11H2,1H3,(H,20,23)/t12-,13+,16-/m0/s1
SMILES: C[C@]12CC3C4(O3)[C@H]([C@@H]1C(CC2(CC(=O)O)C(=O)C(CC(=O)O)O)O)C[C@H](C5=CC(=O)C=C[C@]45C)F
InChI: InChI=1S/C25H29FO9/c1-22-4-3-11(27)5-12(22)14(26)6-13-20-16(29)8-24(10-19(32)33,21(34)15(28)7-18(30)31)23(20,2)9-17-25(13,22)35-17/h3-5,13-17,20,28-29H,6-10H2,1-2H3,(H,30,31)(H,32,33)/t13-,14+,15?,16?,17?,20+,22-,23-,24?,25?/m0/s1
SMILES: C[N+]1(CCC(CC1)O)C/C=C/C2=C(C3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCC5=CC=C(C=C5)OC
InChI: InChI=1S/C31H37N5O7S2/c1-36(13-10-20(37)11-14-36)12-4-5-19-16-44-28-24(23(19)30(40)43-15-18-6-8-21(41-2)9-7-18)27(38)26(28)34-29(39)25(35-42-3)22-17-45-31(32)33-22/h4-9,17,20,24,26,28,37H,10-16H2,1-3H3,(H2-,32,33,34,39)/p+1/b5-4+,35-25-/t20?,24?,26-,28+,36?/m1/s1
SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=S)N[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C22H26N4O4S2/c1-30-18-9-7-17(8-10-18)26-32(28,29)19-4-2-3-16(13-19)21(27)24-25-22(31)23-20-12-14-5-6-15(20)11-14/h2-4,7-10,13-15,20,26H,5-6,11-12H2,1H3,(H,24,27)(H2,23,25,31)/t14-,15+,20-/m0/s1
SMILES: C[C@@H](CCCC#C[C@@H]1C[C@@H](C[C@H]1COCC2=CC=CC=C2)OCOC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H46O4Si/c1-23(32-33(6,7)28(2,3)4)14-10-8-13-17-25-18-27(31-22-29-5)19-26(25)21-30-20-24-15-11-9-12-16-24/h9,11-12,15-16,23,25-27H,8,10,14,18-22H2,1-7H3/t23-,25+,26-,27-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC=C2OC)OC
InChI: InChI=1S/C20H29NO5/c1-12-8-6-9-15(13(12)2)21-19(22)14(3)26-20(23)18-16(24-4)10-7-11-17(18)25-5/h7,10-15H,6,8-9H2,1-5H3,(H,21,22)/t12-,13-,14-,15-/m1/s1
SMILES: CC1CC[C@]2(CC[C@@]3(C(=CCC4[C@]3(C[C@H](C5[C@@]4(C[C@H]([C@@H](C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)O
InChI: InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16?,17?,19-,20-,21?,22?,23?,24+,26-,27?,28-,29-,30-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)O)C
InChI: InChI=1S/C24H37N5O6S2/c1-24(2)19(22(33)34)29-20(32)18(21(29)37-24)27-16(31)10-4-3-7-11-25-15(30)9-6-5-8-14-17-13(12-36-14)26-23(35)28-17/h13-14,17-19,21H,3-12H2,1-2H3,(H,25,30)(H,27,31)(H,33,34)(H2,26,28,35)/t13-,14-,17-,18+,19-,21+/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl
InChI: InChI=1S/C19H17Cl2NO3/c1-11-7-16(11)19(24)25-17(12-5-3-2-4-6-12)18(23)22-15-9-13(20)8-14(21)10-15/h2-6,8-11,16-17H,7H2,1H3,(H,22,23)/t11-,16+,17+/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)O[C@@H]54)O)C)O)C)(C)C
InChI: InChI=1S/C25H38O4/c1-22(2)8-6-9-23(3)16(22)7-10-24(4)17(23)13-19(27)25(5)18(24)12-15(26)14-11-20(28)29-21(14)25/h11,15-19,21,26-27H,6-10,12-13H2,1-5H3/t15-,16-,17+,18-,19+,21-,23-,24+,25+/m0/s1
SMILES: C[C@H]\1CC[C@H]2[C@@H](C[C@H]([C@@]34[C@@]2(CC[C@@H]3C4)C)OC)[C@H](CC/C1=N\OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H37NO5/c1-14-6-7-19-18(12-22(28-5)24-13-17(24)10-11-23(19,24)4)21(29-15(2)26)9-8-20(14)25-30-16(3)27/h14,17-19,21-22H,6-13H2,1-5H3/b25-20+/t14-,17+,18+,19-,21-,22+,23+,24-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC([C@H]2[C@@H](N(C=CC2=O)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C34H34N2O7S2/c1-23-5-17-29(18-6-23)44(38,39)35-33(25-9-13-27(42-3)14-10-25)32-31(37)21-22-36(34(32)26-11-15-28(43-4)16-12-26)45(40,41)30-19-7-24(2)8-20-30/h5-22,32-35H,1-4H3/t32-,33?,34-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC(=C3N)C#N)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C18H30N4O4Si/c1-17(2,3)27(6,7)23-9-12-13-14(26-18(4,5)25-13)16(24-12)22-10-21-11(8-19)15(22)20/h10,12-14,16H,9,20H2,1-7H3/t12-,13-,14-,16-/m1/s1
SMILES: CCCCCCCSCC1C2CCC3[C@@]45COC(C3([C@@H]2O)C1=O)([C@H]([C@@H]4C(CC[C@@H]5O)(C)C)O)O
InChI: InChI=1S/C27H44O6S/c1-4-5-6-7-8-13-34-14-17-16-9-10-18-25-15-33-27(32,26(18,21(16)29)22(17)30)23(31)20(25)24(2,3)12-11-19(25)28/h16-21,23,28-29,31-32H,4-15H2,1-3H3/t16?,17?,18?,19-,20+,21+,23-,25+,26?,27?/m0/s1
SMILES: C1=C(N=C2C3=C(N=CN2C1=O)N(C=N3)[C@@H]4[C@H]([C@@H]([C@@H](O4)CO)O)O)CCl
InChI: InChI=1S/C14H14ClN5O5/c15-2-6-1-8(22)19-5-17-12-9(13(19)18-6)16-4-20(12)14-11(24)10(23)7(3-21)25-14/h1,4-5,7,10-11,14,21,23-24H,2-3H2/t7-,10+,11-,14-/m0/s1
SMILES: CC1(C=COC2=C(O1)C=CC3=C2NC(=O)[C@@]34C[C@@]56CN([C@@](C[C@H]5C4(C)C)(C(=O)N6C)CCC=C)C#N)C
InChI: InChI=1S/C29H34N4O4/c1-7-8-11-27-14-20-26(4,5)29(15-28(20,16-33(27)17-30)32(6)24(27)35)18-9-10-19-22(21(18)31-23(29)34)36-13-12-25(2,3)37-19/h7,9-10,12-13,20H,1,8,11,14-16H2,2-6H3,(H,31,34)/t20-,27-,28+,29+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H]2C[C@H]1[C@@H](C2)OC
InChI: InChI=1S/C15H30O2Si/c1-15(2,3)18(5,6)17-10-12-7-11-8-13(12)14(9-11)16-4/h11-14H,7-10H2,1-6H3/t11-,12+,13-,14-/m1/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5O
InChI: InChI=1S/C24H20N2O5/c1-30-19-14-8-6-12-17(19)25-23(28)20-21(16-11-5-7-13-18(16)27)26(31-22(20)24(25)29)15-9-3-2-4-10-15/h2-14,20-22,27H,1H3/t20-,21+,22+/m0/s1
SMILES: C1CCOC2(C1)CC3=C(C(=O)O2)N4[C@@H]([C@@H](C4=O)NC(=O)CC5=CC=CC=C5)SC3
InChI: InChI=1S/C21H22N2O5S/c24-15(10-13-6-2-1-3-7-13)22-16-18(25)23-17-14(12-29-19(16)23)11-21(28-20(17)26)8-4-5-9-27-21/h1-3,6-7,16,19H,4-5,8-12H2,(H,22,24)/t16-,19-,21?/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=C(C(=C3)C)Cl)OC)OC
InChI: InChI=1S/C23H29ClN2O5S/c1-14-7-5-6-8-18(14)26-32(28,29)22-12-16(9-10-20(22)30-3)23(27)25-19-11-15(2)17(24)13-21(19)31-4/h9-14,18,26H,5-8H2,1-4H3,(H,25,27)/t14-,18+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4
InChI: InChI=1S/C21H29N3O4S/c25-19(7-8-24-20(26)15-4-1-2-5-16(15)21(24)27)22-14-17(18-6-3-13-29-18)23-9-11-28-12-10-23/h3,6,13,15-17H,1-2,4-5,7-12,14H2,(H,22,25)/p+1/t15-,16+,17-/m0/s1
SMILES: C1C[C@H]([C@@H](C[C@@H]1C(=O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O
InChI: InChI=1S/C16H18O6/c17-12-5-1-10(2-6-12)3-8-15(19)22-14-9-11(16(20)21)4-7-13(14)18/h1-3,5-6,8,11,13-14,17-18H,4,7,9H2,(H,20,21)/b8-3+/t11-,13-,14-/m1/s1
SMILES: CCC1=N[C@@H]([C@@H](N1)C2=CC=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4.Cl.Cl
InChI: InChI=1S/C24H31N3O2.2ClH/c1-2-22-25-23(18-6-10-20(28)11-7-18)24(26-22)19-8-12-21(13-9-19)29-17-16-27-14-4-3-5-15-27;;/h6-13,23-24,28H,2-5,14-17H2,1H3,(H,25,26);2*1H/t23-,24+;;/m0../s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2C4=CCCC4)C(=O)C=C5[C@@]3(CC[C@@H](C5)C6=CCCC6)C
InChI: InChI=1S/C29H40O/c1-28-15-13-21(19-7-3-4-8-19)17-22(28)18-26(30)27-24-12-11-23(20-9-5-6-10-20)29(24,2)16-14-25(27)28/h7,9,18,21,23-25,27H,3-6,8,10-17H2,1-2H3/t21-,23+,24?,25?,27?,28-,29+/m0/s1