EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)[C@@H]1CNCC[C@H]1NC(=O)C[C@H](CCCN)NC(=O)C[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CNCC[C@H]3N
InChI: InChI=1S/C41H67N9O9/c1-25(2)17-29(20-35(51)47-28(22-39(56)57)10-11-38(54)55)48-41(59)32-24-45-16-13-34(32)50-37(53)19-27(9-6-14-42)46-36(52)21-30(18-26-7-4-3-5-8-26)49-40(58)31-23-44-15-12-33(31)43/h3-5,7-8,25,27-34,44-45H,6,9-24,42-43H2,1-2H3,(H,46,52)(H,47,51)(H,48,59)(H,49,58)(H,50,53)(H,54,55)(H,56,57)/t27-,28-,29-,30-,31+,32+,33+,34+/m0/s1
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)O)C)O
InChI: InChI=1S/C23H36O4/c1-13(24)17-5-6-18-16-12-21(26)20-11-15(27-14(2)25)7-9-23(20,4)19(16)8-10-22(17,18)3/h12-13,15,17-21,24,26H,5-11H2,1-4H3/t13-,15+,17-,18+,19+,20-,21+,22-,23-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O/C=C/C(=C)O[Si](C)(C)C(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H38O11Si/c1-14(35-36(9,10)24(6,7)8)11-12-29-23-22(33-18(5)28)21(32-17(4)27)20(31-16(3)26)19(34-23)13-30-15(2)25/h11-12,19-23H,1,13H2,2-10H3/b12-11+/t19-,20-,21+,22-,23-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=CC9=CC=CC=C98)O)C(=O)N(C7=O)C(=O)N)C
InChI: InChI=1S/C39H32ClN5O6S/c1-17-23-14-19(40)9-13-28(23)52-33(17)26-16-29(43(3)42-26)44-35(48)25-15-24-21(10-11-22-30(24)36(49)45(34(22)47)38(41)51)32(39(25,2)37(44)50)31-20-7-5-4-6-18(20)8-12-27(31)46/h4-10,12-14,16,22,24-25,30,32,46H,11,15H2,1-3H3,(H2,41,51)/t22-,24+,25-,30-,32+,39+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O[C@H]2C[C@@H]([C@H](CO2)NC(C)C)OC)O)NO[C@H]3C[C@@H]([C@@H]([C@H](O3)C)SC)O
InChI: InChI=1S/C23H44N2O9S/c1-11(2)24-14-10-30-17(9-16(14)28-5)33-21-20(27)19(12(3)32-23(21)29-6)25-34-18-8-15(26)22(35-7)13(4)31-18/h11-27H,8-10H2,1-7H3/t12-,13-,14+,15+,16+,17+,18+,19-,20+,21-,22-,23+/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@H]3[C@H]2CC[C@]4([C@@H]3C/C(=C\C5=CC=CC=C5)/C4=O)C)O
InChI: InChI=1S/C26H32O2/c1-25-12-10-20(27)16-19(25)8-9-21-22(25)11-13-26(2)23(21)15-18(24(26)28)14-17-6-4-3-5-7-17/h3-8,14,20-23,27H,9-13,15-16H2,1-2H3/b18-14+/t20-,21-,22+,23+,25-,26-/m0/s1
SMILES: CCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1COC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
InChI: InChI=1S/C30H53NO8/c1-6-11-12-13-14-15-20-31-21-24(37-26(33)17-8-3)30(39-28(35)19-10-5)29(38-27(34)18-9-4)23(31)22-36-25(32)16-7-2/h23-24,29-30H,6-22H2,1-5H3/t23-,24+,29-,30-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OC2=CC3=CC=CC=C3C=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H26O10/c1-13(25)29-12-20-21(30-14(2)26)22(31-15(3)27)23(32-16(4)28)24(34-20)33-19-10-9-17-7-5-6-8-18(17)11-19/h5-11,20-24H,12H2,1-4H3/t20-,21+,22+,23+,24-/m1/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCC2=NC3=CC=CC=C3N2)C4=CC=CC5=C4CC6=CC=CC=C65)CCCO
InChI: InChI=1S/C32H33N3O4/c1-2-38-32-24(13-8-16-36)26(23-12-7-11-22-21-10-4-3-9-20(21)17-25(22)23)18-29(39-32)31(37)33-19-30-34-27-14-5-6-15-28(27)35-30/h3-7,9-12,14-15,18,24,26,32,36H,2,8,13,16-17,19H2,1H3,(H,33,37)(H,34,35)/t24-,26+,32+/m0/s1
SMILES: C[C@@H]([C@H]1CCC2[C@@]1(CCC3C2C[C@@H](C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C)[C@@H](CCC(C)C)O
InChI: InChI=1S/C27H48O9S2/c1-16(2)6-9-24(28)17(3)20-7-8-21-19-15-25(36-38(32,33)34)23-14-18(35-37(29,30)31)10-12-27(23,5)22(19)11-13-26(20,21)4/h16-25,28H,6-15H2,1-5H3,(H,29,30,31)(H,32,33,34)/t17-,18-,19?,20+,21?,22?,23?,24+,25-,26+,27+/m0/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@@]2(O[C@@H]([C@]([C@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CC/C(=C\C(C)CC3=CC=CC=C3)/CNC(=O)C)O
InChI: InChI=1S/C35H47NO13/c1-6-20(2)16-21(3)12-13-26(38)47-28-27(39)33(48-29(30(40)41)34(46,31(42)43)35(28,49-33)32(44)45)15-14-25(19-36-23(5)37)18-22(4)17-24-10-8-7-9-11-24/h7-13,18,20-22,27-29,39,46H,6,14-17,19H2,1-5H3,(H,36,37)(H,40,41)(H,42,43)(H,44,45)/b13-12+,25-18+/t20-,21+,22?,27+,28+,29+,33+,34+,35+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@]34[C@]2(C5C6=CC=CC=C6C3C7=CC=CC=C57)C(=O)OC4=O
InChI: InChI=1S/C23H16O3/c24-20-22-12-9-10-13(11-12)23(22,21(25)26-20)19-15-6-2-1-5-14(15)18(22)16-7-3-4-8-17(16)19/h1-10,12-13,18-19H,11H2/t12-,13+,18?,19?,22+,23-
SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5=C[C@H](CC[C@]35C=O)O
InChI: InChI=1S/C24H30O5/c1-22-9-7-19-20(4-3-16-12-17(26)6-10-23(16,19)14-25)24(22,28)11-8-18(22)15-2-5-21(27)29-13-15/h2,5,12-14,17-20,26,28H,3-4,6-11H2,1H3/t17-,18+,19-,20+,22+,23+,24-/m0/s1
SMILES: C1=CC=C2C(=C1)C3([C@H]4[C@H](C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC(=CC=C6)Br)Br
InChI: InChI=1S/C24H14Br3NO2/c25-13-6-5-7-14(12-13)28-21(29)19-20(22(28)30)24(27)16-9-2-1-8-15(16)23(19,26)17-10-3-4-11-18(17)24/h1-12,19-20H/t19-,20-,23?,24?/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)[C@@H](CC(=O)[O-])C3=CC=CO3
InChI: InChI=1S/C16H19NO5/c1-9-4-5-10-11(7-9)16(21)17(15(10)20)12(8-14(18)19)13-3-2-6-22-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,18,19)/p-1/t9-,10+,11-,12+/m1/s1
SMILES: CC1=CC=C(C=C1)C(C)(C)O[C@@H]2CC(=O)C[C@H]3[C@H]2C(=O)C4=C(C3=O)C=CC=C4O
InChI: InChI=1S/C24H24O5/c1-13-7-9-14(10-8-13)24(2,3)29-19-12-15(25)11-17-21(19)23(28)20-16(22(17)27)5-4-6-18(20)26/h4-10,17,19,21,26H,11-12H2,1-3H3/t17-,19+,21+/m0/s1
SMILES: C1=CC=C(C=C1)C23[C@@H]4[C@H](C(=O)N(C4=O)C5=CC=CC=C5)C(N2)([C@H]6[C@H]3C(=O)N(C6=O)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C34H25N3O4/c38-29-25-27(31(40)36(29)23-17-9-3-10-18-23)34(22-15-7-2-8-16-22)28-26(33(25,35-34)21-13-5-1-6-14-21)30(39)37(32(28)41)24-19-11-4-12-20-24/h1-20,25-28,35H/t25-,26+,27-,28+,33?,34?
SMILES: C[C@@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3O)C(=O)N(C2=O)C4=CC=CC5=CC=CC=C54)C(=O)O
InChI: InChI=1S/C24H20N2O5/c1-24(23(30)31)19-18(20(25-24)15-10-4-5-12-17(15)27)21(28)26(22(19)29)16-11-6-8-13-7-2-3-9-14(13)16/h2-12,18-20,25,27H,1H3,(H,30,31)/t18-,19+,20-,24+/m0/s1
SMILES: C1[C@@H]2[C@H](C3=CC=CC=C3C=C2C(=O)O1)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C20H16O4/c21-19-16-10-14-8-4-5-9-15(14)18(17(16)12-24-19)20(22)23-11-13-6-2-1-3-7-13/h1-10,17-18H,11-12H2/t17-,18-/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C
InChI: InChI=1S/C23H25N3O3S/c1-13-10-14(2)20(15(3)11-13)18-12-30-23(24-18)25-19(27)8-9-26-21(28)16-6-4-5-7-17(16)22(26)29/h4-5,10-12,16-17H,6-9H2,1-3H3,(H,24,25,27)/t16-,17+
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2
InChI: InChI=1S/C19H26N2O4/c1-13-7-6-10-16(14(13)2)21-17(22)12-25-18(23)11-20-19(24)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,20,24)(H,21,22)/t13-,14+,16-/m1/s1
SMILES: C1[C@@H](CO[C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O
InChI: InChI=1S/C20H24O4/c21-18-11-19(23-13-17-9-5-2-6-10-17)20(24-14-18)15-22-12-16-7-3-1-4-8-16/h1-10,18-21H,11-15H2/t18-,19-,20+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]2C(=O)[C@H]1C(=C(C2=O)O)C)C3=CC=CC=C3
InChI: InChI=1S/C16H16O3/c1-8-11-9(2)14(17)16(19)13(15(11)18)12(8)10-6-4-3-5-7-10/h3-8,11-13,17H,1-2H3/t8-,11+,12-,13+/m0/s1
SMILES: C[C@]12CC/C(=N\OC)/C=C1CCC3C2CC[C@]4(C3CC[C@@]4(/C(=N/OC)/CO[Si](C)(C)C)O[Si](C)(C)C)C
InChI: InChI=1S/C29H52N2O4Si2/c1-27-16-13-22(30-32-3)19-21(27)11-12-23-24(27)14-17-28(2)25(23)15-18-29(28,35-37(8,9)10)26(31-33-4)20-34-36(5,6)7/h19,23-25H,11-18,20H2,1-10H3/b30-22+,31-26+/t23?,24?,25?,27-,28-,29-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(S1)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H29ClO9S/c1-15(29)33-14-23-24(34-16(2)30)25(35-17(3)31)26(36-18(4)32)27(38-23)37-22-11-10-21(28)13-20(22)12-19-8-6-5-7-9-19/h5-11,13,23-27H,12,14H2,1-4H3/t23-,24-,25+,26-,27?/m1/s1
SMILES: C[C@@]1([C@@H]([C@@H](C2=C(O1)C=CC(=C2)N)N3C4=C(C=CC(=C4)OC(C)(C)C)OC3=S)O)C(OC)OC
InChI: InChI=1S/C24H30N2O6S/c1-23(2,3)31-14-8-10-18-16(12-14)26(22(33)30-18)19-15-11-13(25)7-9-17(15)32-24(4,20(19)27)21(28-5)29-6/h7-12,19-21,27H,25H2,1-6H3/t19-,20-,24-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=S)NNC(=O)COC2=C(C=CC(=C2)C)Cl
InChI: InChI=1S/C18H26ClN3O2S/c1-11-7-8-14(19)16(9-11)24-10-17(23)21-22-18(25)20-15-6-4-5-12(2)13(15)3/h7-9,12-13,15H,4-6,10H2,1-3H3,(H,21,23)(H2,20,22,25)/t12-,13-,15-/m0/s1
SMILES: C[C@H]1CC[C@H](C(=O)[C@@H]([C@@H]1CCC=O)C)[C@H](C)COC(=O)C2=CC=CC=C2
InChI: InChI=1S/C22H30O4/c1-15-11-12-20(21(24)17(3)19(15)10-7-13-23)16(2)14-26-22(25)18-8-5-4-6-9-18/h4-6,8-9,13,15-17,19-20H,7,10-12,14H2,1-3H3/t15-,16+,17+,19+,20-/m0/s1
SMILES: CC#CCO[C@@H]1CO[C@H](O[C@H]1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C34H32O4/c1-2-3-24-35-31-25-36-33(27-16-8-4-9-17-27)38-32(31)26-37-34(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h4-23,31-33H,24-26H2,1H3/t31-,32+,33-/m1/s1
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CNC6=C5N=CN7C6=NC=C7)O)O)O)O)O
InChI: InChI=1S/C29H33N9O15P2/c1-12-5-14-15(6-13(12)2)37(26-20(33-14)27(44)35-29(45)34-26)7-16(39)21(41)17(40)8-50-54(46,47)53-55(48,49)51-9-18-22(42)23(43)28(52-18)38-11-31-19-24-30-3-4-36(24)10-32-25(19)38/h3-6,10-11,16-18,21-23,28,39-43H,7-9H2,1-2H3,(H3,35,44,45,46,47,48,49)/p+1/t16-,17+,18-,21-,22-,23-,28-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)O4)OC(=O)O3
InChI: InChI=1S/C14H14O6/c15-14-19-10-9(17-13-12(18-13)11(10)20-14)7-16-6-8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10+,11+,12-,13-/m1/s1
SMILES: CC1=C[C@H]2[C@H](C[C@H](C[C@H]2[C@H](C)COCC3=CC=C(C=C3)OC)O)[C@@H](C1)C(=C=O)C(C)C
InChI: InChI=1S/C27H38O4/c1-17(2)27(14-28)25-11-18(3)10-24-23(12-21(29)13-26(24)25)19(4)15-31-16-20-6-8-22(30-5)9-7-20/h6-10,17,19,21,23-26,29H,11-13,15-16H2,1-5H3/t19-,21+,23+,24-,25-,26+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]4C3=O)[C@@H]([C@@H]5Br)Br
InChI: InChI=1S/C25H21Br2NO5/c1-12-2-4-13(5-3-12)18(29)11-33-25(32)14-6-8-15(9-7-14)28-23(30)19-16-10-17(20(19)24(28)31)22(27)21(16)26/h2-9,16-17,19-22H,10-11H2,1H3/t16-,17+,19-,20-,21-,22+/m0/s1
SMILES: CCOC(=O)[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C26H32O8/c1-4-29-25(27)26(2)32-17-20-21(34-26)22(30-15-18-11-7-5-8-12-18)23(24(28-3)33-20)31-16-19-13-9-6-10-14-19/h5-14,20-24H,4,15-17H2,1-3H3/t20-,21-,22+,23+,24+,26-/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CCC4=CC(=CC=C4)F)C(=O)C5CCC5)C(=O)NCCO)CO
InChI: InChI=1S/C30H35FN2O7/c1-39-24-14-18(16-35)13-21-25-22(29(37)32-9-11-34)15-23(26(36)28(25)40-27(21)24)33(30(38)19-5-3-6-19)10-8-17-4-2-7-20(31)12-17/h2,4,7,12-15,19,23,25-26,28,34-36H,3,5-6,8-11,16H2,1H3,(H,32,37)/t23-,25+,26+,28+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)N
InChI: InChI=1S/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12+/m1/s1
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C20H31N3O4S/c1-22(2)28(25,26)17-8-9-19(27-3)18(12-17)21-20(24)14-23-11-10-15-6-4-5-7-16(15)13-23/h8-9,12,15-16H,4-7,10-11,13-14H2,1-3H3,(H,21,24)/t15-,16-/m1/s1
SMILES: CC1([C@@]2(CC[C@]1([C@@H]2Br)C(=O)NC3=NC4=C(S3)CCCC4)C(Br)Br)C
InChI: InChI=1S/C17H21Br3N2OS/c1-15(2)16(12(19)20)7-8-17(15,11(16)18)13(23)22-14-21-9-5-3-4-6-10(9)24-14/h11-12H,3-8H2,1-2H3,(H,21,22,23)/t11-,16-,17+/m1/s1
SMILES: C[C@H]1[C@@H](O[C@@H](O[C@@H]1C=O)C2=CC=CC=C2)C[C@@H](CC=C)OCC3=CC=CC=C3
InChI: InChI=1S/C24H28O4/c1-3-10-21(26-17-19-11-6-4-7-12-19)15-22-18(2)23(16-25)28-24(27-22)20-13-8-5-9-14-20/h3-9,11-14,16,18,21-24H,1,10,15,17H2,2H3/t18-,21+,22-,23+,24-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=C(C4=C3N=CN=C4Cl)Br)OC(O2)(C)C
InChI: InChI=1S/C14H15BrClN3O3/c1-6-9-10(22-14(2,3)21-9)13(20-6)19-4-7(15)8-11(16)17-5-18-12(8)19/h4-6,9-10,13H,1-3H3/t6-,9-,10-,13-/m1/s1
SMILES: C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C(=O)CBr)SC2)C(=O)O
InChI: InChI=1S/C18H23BrN4O6S/c1-23(5-3-4-6-23)8-10-9-30-17-13(16(26)22(17)14(10)18(27)28)20-15(25)12(21-29-2)11(24)7-19/h13,17H,3-9H2,1-2H3,(H-,20,25,27,28)/p+1/b21-12-/t13-,17-/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5(O2)C(=O)C6=CC=CC=C6C5=O)Cl
InChI: InChI=1S/C27H17BrClNO5/c1-13-12-14(6-11-19(13)29)22-20-21(26(34)30(25(20)33)16-9-7-15(28)8-10-16)27(35-22)23(31)17-4-2-3-5-18(17)24(27)32/h2-12,20-22H,1H3/t20-,21+,22-/m1/s1
SMILES: CCCCN(CCCC)C1=NC2=C(C(=N1)OCCC3=CC=C(C=C3)[N+](=O)[O-])N=CN2[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=S)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5F)N6C=NC7=C(N=CN=C76)N)CO)O)O
InChI: InChI=1S/C36H47FN11O11PS/c1-3-5-12-45(13-6-4-2)36-43-32-26(33(44-36)55-14-11-20-7-9-21(10-8-20)48(52)53)42-19-47(32)35-28(51)27(50)23(58-35)16-56-60(54,61)59-29-22(15-49)57-34(24(29)37)46-18-41-25-30(38)39-17-40-31(25)46/h7-10,17-19,22-24,27-29,34-35,49-51H,3-6,11-16H2,1-2H3,(H,54,61)(H2,38,39,40)/t22-,23-,24-,27-,28-,29-,34-,35-,60?/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@H]2[C@@H](C([C@H](S2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)(F)F)OCC5=CC=CC=C5
InChI: InChI=1S/C30H27F2N3O4S/c31-30(32)26(39-19-22-12-6-2-7-13-22)24(20-38-18-21-10-4-1-5-11-21)40-28(30)35-17-16-25(34-29(35)37)33-27(36)23-14-8-3-9-15-23/h1-17,24,26,28H,18-20H2,(H,33,34,36,37)/t24-,26-,28-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)(C(=O)OC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O)O
InChI: InChI=1S/C37H72O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42,28-26-24-22-20-18-16-14-12-10-8-6-4-2)35(41)44-31-37(43)34(40)33(39)32(38)30-45-37/h32-34,38-40,42-43H,3-31H2,1-2H3/t32-,33-,34+,36?,37-/m1/s1
SMILES: CCS(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5
InChI: InChI=1S/C40H51N5O9S/c1-10-25-22-40(25,36(48)44-55(50,51)11-2)43-34(46)31-20-27(23-45(31)35(47)33(38(3,4)5)42-37(49)54-39(6,7)8)53-32-21-29(24-15-13-12-14-16-24)41-30-19-26(52-9)17-18-28(30)32/h10,12-19,21,25,27,31,33H,1,11,20,22-23H2,2-9H3,(H,42,49)(H,43,46)(H,44,48)/t25-,27-,31+,33-,40-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=NN(N3C(=O)O2)CCCN4C5=CC=CC=C5C=N4)[C@@H](CC([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]6[C@H]([C@@H](C[C@@H](O6)C)N(C)C)O)(C)OC)C)C)C
InChI: InChI=1S/C41H62N6O9/c1-12-31-41(8)35-25(4)32(43-46(47(35)39(51)56-41)19-15-18-45-29-17-14-13-16-28(29)22-42-45)23(2)21-40(7,52-11)36(26(5)33(48)27(6)37(50)54-31)55-38-34(49)30(44(9)10)20-24(3)53-38/h13-14,16-17,22-27,30-31,34-36,38,49H,12,15,18-21H2,1-11H3/t23-,24+,25+,26+,27-,30-,31-,34+,35-,36-,38-,40?,41-/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC=CC=C5C=C6CCC7[C@](O7)(CC[C@@H]8[C@@H]6CC8(C)C)C)C(=O)NCCO)CCCCC
InChI: InChI=1S/C44H64N2O8/c1-6-8-12-19-43(20-13-9-7-2)52-35-33-26-44(40(49)45-22-23-47)37(39(48)50-33)46(54-38(44)36(35)53-43)27-30-15-11-10-14-28(30)24-29-16-17-34-42(5,51-34)21-18-32-31(29)25-41(32,3)4/h10-11,14-15,24,31-38,47H,6-9,12-13,16-23,25-27H2,1-5H3,(H,45,49)/t31-,32-,33-,34?,35+,36+,37-,38-,42-,44-/m1/s1
SMILES: C1CCN(C1)C2=CC=CC=C2CC(=O)SN3C[C@@H]4[C@H](C3)OCCC4(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C31H34N2O2S/c34-30(21-24-11-7-8-16-28(24)32-18-9-10-19-32)36-33-22-27-29(23-33)35-20-17-31(27,25-12-3-1-4-13-25)26-14-5-2-6-15-26/h1-8,11-16,27,29H,9-10,17-23H2/t27-,29+/m1/s1
SMILES: CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)O)C=C3)C
InChI: InChI=1S/C19H23NO5S/c1-8(2)25-19(24)13-9(3)10(4)26-17(13)20-16(21)14-11-5-6-12(7-11)15(14)18(22)23/h5-6,8,11-12,14-15H,7H2,1-4H3,(H,20,21)(H,22,23)/t11-,12+,14-,15-/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=C(C=C6)SC)OCC=C)CCCCO)CCCCO)S(=O)(=O)C7=CC=C(C=C7)NC(=O)C
InChI: InChI=1S/C52H62N4O11S2/c1-5-27-55(69(62,63)43-24-15-38(16-25-43)53-35(3)59)49-33-47(54-65-34-36-13-17-39(18-14-36)56(60)61)45-31-37(11-7-9-28-57)44(12-8-10-29-58)50-46-32-41(66-40-19-22-42(68-4)23-20-40)21-26-48(46)67-52(49,51(45)50)64-30-6-2/h6,13-26,31-32,37,44,49-51,57-58H,2,5,7-12,27-30,33-34H2,1,3-4H3,(H,53,59)/t37-,44+,49-,50+,51+,52+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-])CC[C@H](COC3=CC=CC(=C3)C(F)(F)F)O)O
InChI: InChI=1S/C30H36F3NO9/c31-30(32,33)21-6-5-7-24(16-21)41-19-22(35)12-15-26-25(27(36)17-28(26)37)8-3-1-2-4-9-29(38)43-23-13-10-20(11-14-23)18-42-34(39)40/h1,3,5-7,10-11,13-14,16,22,25-28,35-37H,2,4,8-9,12,15,17-19H2/b3-1-/t22-,25-,26-,27+,28-/m1/s1
SMILES: C[C@@]12CCC3[C@@]([C@H]1CC[C@@H]([C@@]24CC(=O)OC4)C(=O)NC5=CC(=C(C=C5Cl)Cl)Cl)(CC=CC3(C)C)C
InChI: InChI=1S/C28H34Cl3NO3/c1-25(2)9-5-10-26(3)21(25)8-11-27(4)22(26)7-6-16(28(27)14-23(33)35-15-28)24(34)32-20-13-18(30)17(29)12-19(20)31/h5,9,12-13,16,21-22H,6-8,10-11,14-15H2,1-4H3,(H,32,34)/t16-,21?,22-,26+,27-,28+/m1/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\O[C@@H](C4=CC(=C(C=C4)O)O)C(=O)O)/C5=CSC(=N5)N)CSC6=[N+](C=CC(=N6)N)N
InChI: InChI=1S/C33H31N9O10S3/c1-50-18-5-2-15(3-6-18)11-51-31(49)25-17(13-55-33-38-22(34)8-9-41(33)36)12-53-29-24(28(46)42(25)29)39-27(45)23(19-14-54-32(35)37-19)40-52-26(30(47)48)16-4-7-20(43)21(44)10-16/h2-10,14,24,26,29,34H,11-13,36H2,1H3,(H6,35,37,39,40,43,44,45,47,48)/p+1/t24-,26+,29-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2C=C4C=C(C(=O)C=C4O3)O)C)(C)C
InChI: InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17-18,22H,5-9H2,1-4H3/t17-,18+,20-,21+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=C(C=C2OC)N)Cl
InChI: InChI=1S/C17H23ClN2O4/c1-10-5-3-4-6-14(10)20-16(21)9-24-17(22)11-7-12(18)13(19)8-15(11)23-2/h7-8,10,14H,3-6,9,19H2,1-2H3,(H,20,21)/t10-,14-/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4C[C@@H]([C@@H](C[C@@H]4C3=O)Br)Br
InChI: InChI=1S/C24H21Br2NO6/c1-32-16-7-5-13(6-8-16)21(28)12-33-24(31)14-3-2-4-15(9-14)27-22(29)17-10-19(25)20(26)11-18(17)23(27)30/h2-9,17-20H,10-12H2,1H3/t17-,18+,19+,20-
SMILES: CC1=CC=CC=C1CNC2=C3C(=NC(=N2)Cl)N(C=N3)[C@@H]4[C@H]5C[C@]5([C@H]([C@H]4O)O)C(=O)NC
InChI: InChI=1S/C21H23ClN6O3/c1-10-5-3-4-6-11(10)8-24-17-13-18(27-20(22)26-17)28(9-25-13)14-12-7-21(12,19(31)23-2)16(30)15(14)29/h3-6,9,12,14-16,29-30H,7-8H2,1-2H3,(H,23,31)(H,24,26,27)/t12-,14-,15+,16+,21+/m1/s1
SMILES: COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)CO[C@H](O3)C4=CC=CC=C4)OCC=C)O
InChI: InChI=1S/C23H26O7/c1-3-13-26-21-19(24)23(28-17-11-9-16(25-2)10-12-17)29-18-14-27-22(30-20(18)21)15-7-5-4-6-8-15/h3-12,18-24H,1,13-14H2,2H3/t18-,19-,20-,21-,22-,23-/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)CCCO
InChI: InChI=1S/C31H37N3O7/c1-2-38-29-23(9-6-16-35)24(21-10-11-25-26(17-21)40-20-39-25)18-27(41-29)28(36)33-14-12-31(13-15-33)30(37)32-19-34(31)22-7-4-3-5-8-22/h3-5,7-8,10-11,17-18,23-24,29,35H,2,6,9,12-16,19-20H2,1H3,(H,32,37)/t23-,24-,29-/m0/s1
SMILES: C=CCC1=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)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)I)O
InChI: InChI=1S/C35H22Cl2F5IN2O5/c1-2-4-14-5-3-6-19(29(14)46)22-17-11-12-18-21(31(48)44(30(18)47)16-9-7-15(43)8-10-16)20(17)13-34(36)32(49)45(33(50)35(22,34)37)28-26(41)24(39)23(38)25(40)27(28)42/h2-3,5-11,18,20-22,46H,1,4,12-13H2/t18-,20+,21-,22+,34+,35-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)N3CCN(CC3)CC(=O)NC4=CC=CC=C4Cl
InChI: InChI=1S/C21H28ClN3O2/c22-18-3-1-2-4-19(18)23-20(26)14-24-7-9-25(10-8-24)21(27)13-17-12-15-5-6-16(17)11-15/h1-4,15-17H,5-14H2,(H,23,26)/t15-,16+,17-/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H64O2Si/c1-30(2,3)39(11,12)38-29-16-17-33(8)27(32(29,6)7)15-18-35(10)28(33)14-13-25-26-23-31(4,5)19-21-36(26,24-37)22-20-34(25,35)9/h13,26-29,37H,14-24H2,1-12H3/t26-,27-,28+,29-,33-,34+,35+,36+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)N[C@@H]2CCC[C@@H](C2)CC3=CC=C(C=C3)F)NC(=O)NC4=CC=C(C=C4)F
InChI: InChI=1S/C26H33F2N3O/c27-20-10-8-18(9-11-20)16-19-4-3-5-23(17-19)29-24-6-1-2-7-25(24)31-26(32)30-22-14-12-21(28)13-15-22/h8-15,19,23-25,29H,1-7,16-17H2,(H2,30,31,32)/t19-,23-,24-,25-/m1/s1
SMILES: C1CN2CCC1[C@@H]([C@H]2CC3=CN=CC=C3)NC(=O)/C=C/C4=CN=CC=C4
InChI: InChI=1S/C21H24N4O/c26-20(6-5-16-3-1-9-22-14-16)24-21-18-7-11-25(12-8-18)19(21)13-17-4-2-10-23-15-17/h1-6,9-10,14-15,18-19,21H,7-8,11-13H2,(H,24,26)/b6-5+/t19-,21+/m1/s1
SMILES: C1CC[C@@]2(CCN([C@H]([C@@H]2C1)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4)O
InChI: InChI=1S/C20H22FNO2S/c21-15-8-6-14(7-9-15)18-16-4-1-2-10-20(16,24)11-12-22(18)19(23)17-5-3-13-25-17/h3,5-9,13,16,18,24H,1-2,4,10-12H2/t16-,18-,20-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H]2CC=C[C@H]2C3=C(N1)C=CC(=C3)C(=O)O
InChI: InChI=1S/C16H17NO4/c1-2-21-16(20)14-11-5-3-4-10(11)12-8-9(15(18)19)6-7-13(12)17-14/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)/t10-,11-,14+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)OC(=O)CNC(C)(C)C)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O.Cl
InChI: InChI=1S/C28H45NO8.ClH/c1-11-25(8)14-17(31)28(34)26(9)18(36-19(32)15-29-23(3,4)5)12-13-24(6,7)21(26)20(33)22(35-16(2)30)27(28,10)37-25;/h11,18,20-22,29,33-34H,1,12-15H2,2-10H3;1H/t18-,20-,21-,22-,25-,26-,27+,28-;/m0./s1
SMILES: C[C@H](OC(=O)[C@H]1C(S(=O)(=O)[C@H]2N1C(=O)[C@H]2CO)(C)C)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H21NO8S/c1-10(26-16(22)11-7-5-4-6-8-11)27-17(23)13-18(2,3)28(24,25)15-12(9-20)14(21)19(13)15/h4-8,10,12-13,15,20H,9H2,1-3H3/t10-,12+,13-,15+/m0/s1
SMILES: CC1=C(C2=C(N1)C(=O)C=C3[C@@]24C[C@@H]4CN3C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CO
InChI: InChI=1S/C25H25N3O6/c1-11-14(10-29)19-21(26-11)16(30)7-18-25(19)8-13(25)9-28(18)24(31)15-5-12-6-17(32-2)22(33-3)23(34-4)20(12)27-15/h5-7,13,26-27,29H,8-10H2,1-4H3/t13-,25+/m1/s1
SMILES: CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@H]5O)C(=O)O)COC(=O)CCC6=CC(=C(C(=C6)I)O)I)OS(=O)(=O)O)OS(=O)(=O)O
InChI: InChI=1S/C39H52I2O18S2/c1-18(2)11-30(43)57-34-33(59-61(51,52)53)32(58-60(48,49)50)27(17-54-29(42)8-5-20-12-25(40)31(44)26(41)13-20)56-37(34)55-22-14-23(36(46)47)24-9-10-39-15-21(19(3)35(39)45)6-7-28(39)38(24,4)16-22/h12-13,18,21-24,27-28,32-35,37,44-45H,3,5-11,14-17H2,1-2,4H3,(H,46,47)(H,48,49,50)(H,51,52,53)/t21-,22-,23-,24-,27-,28+,32-,33+,34-,35-,37-,38-,39-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCC4
InChI: InChI=1S/C23H31N3O2S/c1-15-8-7-13-20(16(15)2)26-22(28)18-11-5-6-12-19(18)25-23(26)29-14-21(27)24-17-9-3-4-10-17/h5-6,11-12,15-17,20H,3-4,7-10,13-14H2,1-2H3,(H,24,27)/t15-,16-,20-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)C3=CC=C(C=C3)[18F])OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H21FN2O9/c1-10(25)30-9-16-17(31-11(2)26)18(32-12(3)27)20(33-16)24-8-15(19(28)23-21(24)29)13-4-6-14(22)7-5-13/h4-8,16-18,20H,9H2,1-3H3,(H,23,28,29)/t16-,17-,18-,20-/m1/s1/i22-1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3CCC(CC3)C(=O)[O-]
InChI: InChI=1S/C15H21NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h9-12H,1-8H2,(H,19,20)/p-1/t9?,10?,11-,12+
SMILES: C[C@@H]1C[C@@H](C[C@@H]([C@@H]1C)OC(=O)C2=CC(=C(N=C2C)C)C(=O)O[C@H]3C[C@H](C[C@H]([C@H]3C)C)C(C)C)C(C)C
InChI: InChI=1S/C31H49NO4/c1-16(2)24-11-18(5)20(7)28(13-24)35-30(33)26-15-27(23(10)32-22(26)9)31(34)36-29-14-25(17(3)4)12-19(6)21(29)8/h15-21,24-25,28-29H,11-14H2,1-10H3/t18-,19-,20-,21-,24+,25+,28+,29+/m1/s1
SMILES: CC(C)[C@@H]1CC[C@H]2[C@]1(CC[C@@]3([C@@]2(CC=C4[C@H]3CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C
InChI: InChI=1S/C30H48O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-24H,9-12,14-18H2,1-8H3/t20-,22+,23-,24-,27+,28-,29-,30+/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@H]2[C@H](NC(=O)NC2=C)C3=CC=C(C=C3)N4CCOCC4
InChI: InChI=1S/C23H26N4O4/c1-15-20(22(28)25-17-5-9-19(30-2)10-6-17)21(26-23(29)24-15)16-3-7-18(8-4-16)27-11-13-31-14-12-27/h3-10,20-21H,1,11-14H2,2H3,(H,25,28)(H2,24,26,29)/t20-,21-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(N=C(C=C4)Cl)Cl)CCC5[C@@]3(C=CC6=NC=CN56)C
InChI: InChI=1S/C26H30Cl2N4O/c1-25-11-9-17-15(3-7-20-26(17,2)12-10-22-29-13-14-32(20)22)16(25)4-5-18(25)24(33)30-19-6-8-21(27)31-23(19)28/h6,8,10,12-18,20H,3-5,7,9,11H2,1-2H3,(H,30,33)/t15-,16-,17-,18+,20?,25-,26+/m0/s1
SMILES: CC1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)N
InChI: InChI=1S/C11H17N6O7P/c1-3-14-5-8(12)15-11(13)16-9(5)17(3)10-7(19)6(18)4(24-10)2-23-25(20,21)22/h4,6-7,10,18-19H,2H2,1H3,(H2,20,21,22)(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1
SMILES: C1C[C@H]([C@H](CC1)/[N+](=C\C2=CC=CC=C2)/[O-])/[N+](=C\C3=CC=CC=C3)/[O-]
InChI: InChI=1S/C20H22N2O2/c23-21(15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)16-18-11-5-2-6-12-18/h1-6,9-12,15-16,19-20H,7-8,13-14H2/b21-15+,22-16+/t19-,20+