EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)CCCO)OC)\C)O[C@]6(C4)C=C[C@@H]([C@H](O6)C(C)C)C)O
InChI: InChI=1S/C43H64O11/c1-24(2)38-27(5)16-17-42(54-38)22-32-20-31(53-42)15-14-26(4)39(52-36-21-35(48-8)33(13-10-18-44)29(7)50-36)25(3)11-9-12-30-23-49-40-37(45)28(6)19-34(41(46)51-32)43(30,40)47/h9,11-12,14,16-17,19,24-25,27,29,31-40,44-45,47H,10,13,15,18,20-23H2,1-8H3/b11-9+,26-14+,30-12+/t25-,27-,29-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40+,42+,43+/m0/s1
SMILES: CC1=C2[C@@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21-,22-,24-,27+,28-,29+/m0/s1
SMILES: CC(=O)O[C@@H]1CC2[C@](CCC(=O)C2(C)C)(C3[C@@]1(C4=CC[C@H]([C@@]4(CC3)C)C5C[C@H]([C@@H](OC5)C(C)(C)O)O)C)C
InChI: InChI=1S/C32H50O6/c1-18(33)38-26-16-24-28(2,3)25(35)12-14-31(24,7)23-11-13-30(6)20(9-10-22(30)32(23,26)8)19-15-21(34)27(37-17-19)29(4,5)36/h10,19-21,23-24,26-27,34,36H,9,11-17H2,1-8H3/t19?,20-,21+,23?,24?,26+,27+,30-,31+,32-/m0/s1
SMILES: C[C@H]([C@H]1CN2[C@@H]1CC(=O)[C@@H]2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O
InChI: InChI=1S/C16H18N2O6/c1-9(19)12-7-17-13(12)6-14(20)15(17)16(21)24-8-10-2-4-11(5-3-10)18(22)23/h2-5,9,12-13,15,19H,6-8H2,1H3/t9-,12-,13-,15-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)C(=O)OC)C)O)F)C
InChI: InChI=1S/C23H29FO5/c1-12-9-16-15-6-5-13-10-14(25)7-8-22(13,3)23(15,24)17(26)11-21(16,2)18(12)19(27)20(28)29-4/h7-8,10,12,15-18,26H,5-6,9,11H2,1-4H3/t12-,15+,16+,17+,18-,21+,22+,23+/m1/s1
SMILES: CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2C(=O)[C@@H]([C@H](O4)C)C
InChI: InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h10-12H,6-9H2,1-5H3/t11-,12-/m1/s1
SMILES: CC(C)(C)OC(=O)C[C@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)C2=CC=CC=C2)C(=C)O[Si](C)(C)C
InChI: InChI=1S/C27H41NO6Si/c1-18(34-35(8,9)10)21-17-28(24(30)19-14-12-11-13-15-19)23(25(31)33-27(5,6)7)20(21)16-22(29)32-26(2,3)4/h11-15,20-21,23H,1,16-17H2,2-10H3/t20-,21+,23-/m0/s1
SMILES: C1CC[NH+](CC1)CCN2C(=O)[C@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C25H26N2O2/c28-24-22-20-16-8-2-3-9-17(16)21(19-11-5-4-10-18(19)20)23(22)25(29)27(24)15-14-26-12-6-1-7-13-26/h2-5,8-11,20-23H,1,6-7,12-15H2/p+1/t20?,21?,22-,23-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC=CC=C6)C)C7=CC=CC=C7
InChI: InChI=1S/C33H30N4O6/c1-3-43-26-16-10-15-23(28(26)38)27-22-17-18-34-31(41)36(21-13-8-5-9-14-21)32(42)37(34)25(22)19-24-29(39)35(30(40)33(24,27)2)20-11-6-4-7-12-20/h4-17,24-25,27,38H,3,18-19H2,1-2H3/t24-,25+,27+,33+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)/C=C/3\CCNC3=O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H31N3O6S/c1-30(2,3)39-29(37)32-22-26(35)33-23(21(17-40-27(22)33)16-20-14-15-31-25(20)34)28(36)38-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,22,24,27H,14-15,17H2,1-3H3,(H,31,34)(H,32,37)/b20-16+/t22-,27-/m1/s1
SMILES: C=CCO[C@@H]1CCN2[C@@H]1C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F
InChI: InChI=1S/C22H19F3N2O3/c1-2-10-30-18-8-9-27-19(18)20(28)26-17-7-6-14(12-16(17)21(27)29)13-4-3-5-15(11-13)22(23,24)25/h2-7,11-12,18-19H,1,8-10H2,(H,26,28)/t18-,19+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O
InChI: InChI=1S/C16H17NO5/c18-14(17-11-5-3-8(4-6-11)15(19)20)12-9-1-2-10(7-9)13(12)16(21)22/h3-6,9-10,12-13H,1-2,7H2,(H,17,18)(H,19,20)(H,21,22)/t9-,10+,12-,13+/m1/s1
SMILES: C[C@H]1C[C@]([C@@H](C2=C1N(C(=O)O2)C3=CC(=CC=C3)Cl)C)(C(=O)C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C24H21ClN2O7/c1-13-12-24(15(3)28,34-22(29)16-7-9-18(10-8-16)27(31)32)14(2)21-20(13)26(23(30)33-21)19-6-4-5-17(25)11-19/h4-11,13-14H,12H2,1-3H3/t13-,14+,24-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=CC=C6C=CC(=O)N(C)C)OC7(O5)CC8=CC=CC=C8C7
InChI: InChI=1S/C49H58N4O11/c1-47(2,3)61-39(56)23-21-35(29-54)50-44(57)36(24-30-14-8-7-9-15-30)52(6)46(59)49-27-37-40-41(63-48(62-40)25-32-17-11-12-18-33(32)26-48)43(49)64-53(42(49)45(58)60-37)28-34-19-13-10-16-31(34)20-22-38(55)51(4)5/h7-20,22,35-37,40-43,54H,21,23-29H2,1-6H3,(H,50,57)/t35-,36+,37+,40-,41-,42-,43+,49-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1[C@H]2C=C[C@@H]([C@@H]1COP(=O)(OCCBr)Cl)O2
InChI: InChI=1S/C29H52BrClNO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-29(33)35-23-25-26(28-19-18-27(25)38-28)24-37-39(31,34)36-22-20-30/h18-19,25-28H,2-17,20-24H2,1H3,(H,32,33)/t25-,26-,27-,28+,39?/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(C(=C[C@H]3[C@H]2[C@@H]4[C@@H](O4)[C@@]5([C@@]3(C=CC=C5)C)O)O)C)[C@@H](C[C@]6([C@@](O6)(C)C(=O)O)C)O
InChI: InChI=1S/C28H38O7/c1-14(18(29)13-25(3)27(5,35-25)23(31)32)15-8-9-16-20-17(12-19(30)26(15,16)4)24(2)10-6-7-11-28(24,33)22-21(20)34-22/h6-7,10-12,14-18,20-22,29-30,33H,8-9,13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18+,20-,21+,22+,24+,25-,26+,27+,28-/m0/s1
SMILES: C1=CC=C(C=C1)C2([C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI: InChI=1S/C23H16FNO2/c24-17-11-13-18(14-12-17)25-21(26)19-20(22(25)27)23(19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20+
SMILES: CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C4=C(C(=CC(=C4)C)Cl)NC3=O)N[C@H]2[C@@H](C)O
InChI: InChI=1S/C20H24ClN3O4/c1-5-9(3)24-17(26)13-14(18(24)27)20(23-15(13)10(4)25)11-6-8(2)7-12(21)16(11)22-19(20)28/h6-7,9-10,13-15,23,25H,5H2,1-4H3,(H,22,28)/t9-,10+,13-,14-,15-,20-/m0/s1
SMILES: CC1=CC[C@@]23[C@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)[C@]5(C[C@H]6C[C@]57C(=C6C)[C@@H]8[C@@H](CC[C@@]7(C)O)C(=C)C(=O)O8)C(=O)O4
InChI: InChI=1S/C30H36O6/c1-14-6-11-30-20(14)23-19(8-10-27(30,5)36-30)28(25(32)35-23)12-17-13-29(28)21(15(17)2)22-18(7-9-26(29,4)33)16(3)24(31)34-22/h6,17-20,22-23,33H,3,7-13H2,1-2,4-5H3/t17-,18-,19+,20+,22-,23-,26+,27-,28+,29+,30+/m0/s1
SMILES: C1CCC(CC1)[C@H](CCC(=O)N(CCO[C@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C3CCCCC3)N4CC5=C(C=CC(=C5)OC6=CC=CC=C6)N=C4N
InChI: InChI=1S/C38H54N4O8/c39-38-40-30-17-16-29(49-28-14-8-3-9-15-28)22-26(30)23-42(38)31(25-10-4-1-5-11-25)18-19-33(44)41(27-12-6-2-7-13-27)20-21-48-37-36(47)35(46)34(45)32(24-43)50-37/h3,8-9,14-17,22,25,27,31-32,34-37,43,45-47H,1-2,4-7,10-13,18-21,23-24H2,(H2,39,40)/t31-,32+,34-,35-,36-,37+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@H](O2)CNP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)OC(O3)(C)C)C
InChI: InChI=1S/C25H32NO8P/c1-24(2)28-16-20(30-24)21-23-22(31-25(3,4)32-23)19(29-21)15-26-35(27,33-17-11-7-5-8-12-17)34-18-13-9-6-10-14-18/h5-14,19-23H,15-16H2,1-4H3,(H,26,27)/t19-,20-,21-,22-,23+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C(F)(F)F)Cl
InChI: InChI=1S/C15H13ClF3NO2/c16-11-6-5-8(15(17,18)19)7-12(11)20-13(21)9-3-1-2-4-10(9)14(20)22/h5-7,9-10H,1-4H2/t9-,10-/m0/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@H](CC(=O)O2)C(=O)OC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H14Cl2O5/c1-23-14-5-3-2-4-11(14)17-12(9-16(21)25-17)18(22)24-15-7-6-10(19)8-13(15)20/h2-8,12,17H,9H2,1H3/t12-,17-/m0/s1
SMILES: CCCC[C@@H]1CN2CC(C3=CC(=C(C=C3[C@H]2C[C@@H]1N)OC)OC)C4=CC=C(C=C4)O.Cl
InChI: InChI=1S/C25H34N2O3.ClH/c1-4-5-6-17-14-27-15-21(16-7-9-18(28)10-8-16)19-11-24(29-2)25(30-3)12-20(19)23(27)13-22(17)26;/h7-12,17,21-23,28H,4-6,13-15,26H2,1-3H3;1H/t17-,21?,22+,23-;/m1./s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(N[C@@H](CC3=CC=CC=C3)C(=O)OC)O)O)O
InChI: InChI=1S/C20H26N3O10P/c1-11-9-23(20(28)21-17(11)26)18-16(25)15(24)14(33-18)10-32-34(29,30)22-13(19(27)31-2)8-12-6-4-3-5-7-12/h3-7,9,13-16,18,24-25H,8,10H2,1-2H3,(H,21,26,28)(H2,22,29,30)/t13-,14+,15+,16+,18+/m0/s1
SMILES: CCOC1=C(C(=C(C=C1)F)[C@H]2C[C@H]2NC(=O)NC3=NC=C(C=C3)C#N)Cl
InChI: InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)/t11-,13+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)[O-]
InChI: InChI=1S/C21H20ClFN2O4/c22-16-11-12(9-10-17(16)23)24-20(27)15-7-3-4-8-18(15)25-19(26)13-5-1-2-6-14(13)21(28)29/h3-4,7-11,13-14H,1-2,5-6H2,(H,24,27)(H,25,26)(H,28,29)/p-1/t13-,14-/m1/s1
SMILES: CCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C16H20N2O5S2/c1-4-15(19)17-16-18(12-8-25(20,21)9-14(12)24-16)11-6-5-10(22-2)7-13(11)23-3/h5-7,12,14H,4,8-9H2,1-3H3/t12-,14-/m1/s1
SMILES: CC(=O)OC[C@H]1C[C@@H]([C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H24O10/c1-8(18)23-7-13-6-14(24-9(2)19)16(26-11(4)21)17(27-12(5)22)15(13)25-10(3)20/h13-17H,6-7H2,1-5H3/t13-,14+,15-,16-,17+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
InChI: InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
SMILES: COC1=CC2=C(C[C@@H]3[C@H]4[C@]2(CCN3CC5CC5)COCC4)C=C1
InChI: InChI=1S/C20H27NO2/c1-22-16-5-4-15-10-19-17-6-9-23-13-20(17,18(15)11-16)7-8-21(19)12-14-2-3-14/h4-5,11,14,17,19H,2-3,6-10,12-13H2,1H3/t17-,19+,20-/m0/s1
SMILES: C[C@H]1[C@@H](C2=CC=CC=C2N1)C(=O)C3=C(N(C(=S)S3)C4=CC=C(C=C4)C)N
InChI: InChI=1S/C20H19N3OS2/c1-11-7-9-13(10-8-11)23-19(21)18(26-20(23)25)17(24)16-12(2)22-15-6-4-3-5-14(15)16/h3-10,12,16,22H,21H2,1-2H3/t12-,16-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)CC2=C(N=C(S2)N)C3=CC=C(C=C3)C
InChI: InChI=1S/C22H29N3O3S/c1-13-7-9-16(10-8-13)21-18(29-22(23)25-21)11-20(27)28-12-19(26)24-17-6-4-5-14(2)15(17)3/h7-10,14-15,17H,4-6,11-12H2,1-3H3,(H2,23,25)(H,24,26)/t14-,15-,17-/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)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=CC=CC=C5C(=O)O
InChI: InChI=1S/C34H28F5NO6S/c1-17-23(16-47-24-5-3-2-4-22(24)33(43)44)45-34(46-31(17)20-10-8-19(15-41)9-11-20)21-12-6-18(7-13-21)14-40-32(42)25-26(35)28(37)30(39)29(38)27(25)36/h2-13,17,23,31,34,41H,14-16H2,1H3,(H,40,42)(H,43,44)/t17-,23+,31+,34+/m1/s1
SMILES: CC(=O)O[C@@H]1C=C([C@@]([C@@]2([C@@H]1C(CCC2)(C)C)C)(CO)O)CO
InChI: InChI=1S/C17H28O5/c1-11(20)22-13-8-12(9-18)17(21,10-19)16(4)7-5-6-15(2,3)14(13)16/h8,13-14,18-19,21H,5-7,9-10H2,1-4H3/t13-,14+,16+,17-/m1/s1
SMILES: COC1=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)N8CCOCC8)Br)O
InChI: InChI=1S/C37H27BrCl2F5N3O7/c1-54-22-13-15(12-21(38)31(22)49)24-18-6-7-19-23(33(51)47(32(19)50)17-4-2-16(3-5-17)46-8-10-55-11-9-46)20(18)14-36(39)34(52)48(35(53)37(24,36)40)30-28(44)26(42)25(41)27(43)29(30)45/h2-6,12-13,19-20,23-24,49H,7-11,14H2,1H3/t19-,20+,23-,24-,36+,37-/m0/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3)OC
InChI: InChI=1S/C17H19NO5/c1-21-9-3-4-11(13(7-9)22-2)18-16(19)14-8-5-10-12(6-8)23-17(20)15(10)14/h3-4,7-8,10,12,14-15H,5-6H2,1-2H3,(H,18,19)/t8-,10+,12-,14+,15+/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)CCCCCCCCCCCCC
InChI: InChI=1S/C34H62O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-31(35)39-29-27-37-34-30(28-38-33(29)34)40-32(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28H2,1-2H3/t29-,30+,33-,34-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N6CCOCC6)O.Br
InChI: InChI=1S/C31H35NO11.BrH/c1-14-26(34)18(32-7-9-41-10-8-32)11-21(42-14)43-20-13-31(39,15(2)33)12-17-23(20)30(38)25-24(28(17)36)27(35)16-5-4-6-19(40-3)22(16)29(25)37;/h4-6,14,18,20-21,26,34,36,38-39H,7-13H2,1-3H3;1H/t14-,18-,20-,21-,26+,31-;/m0./s1
SMILES: CC(C)(C)OC(=O)[C@@]12CC[C@@H](N1C(=O)OCC3=CC=CC=C3)[C@H](C2)CC(=O)O
InChI: InChI=1S/C21H27NO6/c1-20(2,3)28-18(25)21-10-9-16(15(12-21)11-17(23)24)22(21)19(26)27-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,23,24)/t15-,16+,21-/m0/s1
SMILES: C1CCOC(C1)ON=C2C[C@@H]([C@@]3([C@@H]4C2=C[C@@H]([C@H]([C@@H]4C5=C(O3)C=CC(=C5)O)CCCCO)CCCCO)O)N6C(=CN=N6)C7=CC=CC=C7
InChI: InChI=1S/C37H46N4O7/c42-17-7-4-12-25-20-28-30(39-48-34-14-6-9-19-46-34)22-33(41-31(23-38-40-41)24-10-2-1-3-11-24)37(45)36(28)35(27(25)13-5-8-18-43)29-21-26(44)15-16-32(29)47-37/h1-3,10-11,15-16,20-21,23,25,27,33-36,42-45H,4-9,12-14,17-19,22H2/t25-,27+,33-,34?,35+,36+,37+/m0/s1
SMILES: C1[C@H]([C@@H](O[C@@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O
InChI: InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC=C(C=C5)OCCO)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)Cl
InChI: InChI=1S/C36H29Cl2N3O7/c1-40-33(45)35(37)18-25-23(29(36(35,38)34(40)46)19-8-12-22(13-9-19)47-17-16-42)14-15-24-28(25)32(44)41(31(24)43)21-10-6-20(7-11-21)30-39-26-4-2-3-5-27(26)48-30/h2-14,24-25,28-29,42H,15-18H2,1H3/t24-,25+,28-,29-,35+,36-/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)I)Cl
InChI: InChI=1S/C28H23Cl2IN2O6/c1-32-25(37)27(29)12-18-16(22(28(27,30)26(32)38)13-3-10-20(39-2)19(34)11-13)8-9-17-21(18)24(36)33(23(17)35)15-6-4-14(31)5-7-15/h3-8,10-11,17-18,21-22,34H,9,12H2,1-2H3/t17-,18+,21-,22-,27+,28-/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C(=O)N(C3=O)C6=CC=CC(=C6)C(=O)O)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC(=C8)C(=O)O
InChI: InChI=1S/C41H32N2O10/c44-32-18-26(53-20-21-6-2-1-3-7-21)12-13-28(32)33-27-14-15-29-34(38(47)42(36(29)45)24-10-4-8-22(16-24)40(49)50)30(27)19-31-35(33)39(48)43(37(31)46)25-11-5-9-23(17-25)41(51)52/h1-14,16-18,29-31,33-35,44H,15,19-20H2,(H,49,50)(H,51,52)/t29-,30+,31+,33+,34-,35+/m0/s1
SMILES: CC(C)(C)O[C@@H]1C2[C@@H]3CC=CC[C@H]2[C@H]4[C@@H]3C41
InChI: InChI=1S/C15H22O/c1-15(2,3)16-14-10-8-6-4-5-7-9(10)12-11(8)13(12)14/h4-5,8-14H,6-7H2,1-3H3/t8-,9+,10?,11+,12-,13?,14-/m1/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C3=CN4C=CSC4=N3)C(=O)O
InChI: InChI=1S/C19H17N3O3S/c23-17(14-3-1-2-4-15(14)18(24)25)20-13-7-5-12(6-8-13)16-11-22-9-10-26-19(22)21-16/h1-2,5-11,14-15H,3-4H2,(H,20,23)(H,24,25)/t14-,15-/m1/s1
SMILES: C[C@H]1C[C@H]2[C@H](C[C@@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[C@]15CC[C@@]6(O5)C=CC[C@H](O6)COCC7=CC=C(C=C7)OC
InChI: InChI=1S/C41H52O7Si/c1-30-25-37-38(26-34(45-37)29-44-49(39(2,3)4,35-14-8-6-9-15-35)36-16-10-7-11-17-36)47-41(30)24-23-40(48-41)22-12-13-33(46-40)28-43-27-31-18-20-32(42-5)21-19-31/h6-12,14-22,30,33-34,37-38H,13,23-29H2,1-5H3/t30-,33-,34+,37-,38-,40-,41-/m0/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=CC=CC=C4O)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C28H19BrN2O7/c29-20-12-22(33)25-19(26(20)34)11-18-15(23(25)16-3-1-2-4-21(16)32)9-10-17-24(18)28(36)30(27(17)35)13-5-7-14(8-6-13)31(37)38/h1-9,12,17-18,23-24,32H,10-11H2/t17-,18+,23+,24-/m0/s1
SMILES: C1=CC(=CC=C1[C@H]2[C@H]3[C@H](C(=O)NC3=O)ON2C4=CC=C(C=C4)Cl)[N+](=O)[O-]
InChI: InChI=1S/C17H12ClN3O5/c18-10-3-7-11(8-4-10)20-14(9-1-5-12(6-2-9)21(24)25)13-15(26-20)17(23)19-16(13)22/h1-8,13-15H,(H,19,22,23)/t13-,14-,15+/m0/s1
SMILES: CN1C(=O)[C@@H]2C=C[C@@H]([C@@H]([C@@H]2C1=O)C3=CC=CC=C3)O
InChI: InChI=1S/C15H15NO3/c1-16-14(18)10-7-8-11(17)12(13(10)15(16)19)9-5-3-2-4-6-9/h2-8,10-13,17H,1H3/t10-,11+,12+,13-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)O)O)CO)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8-,9-,10-,11-,12-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OCC[C@@H]1[C@@](CO[C@@H](O1)C2=CC=C(C=C2)OC)(CO)OCC3=CC=CC=C3
InChI: InChI=1S/C27H40O6Si/c1-26(2,3)34(5,6)32-17-16-24-27(19-28,31-18-21-10-8-7-9-11-21)20-30-25(33-24)22-12-14-23(29-4)15-13-22/h7-15,24-25,28H,16-20H2,1-6H3/t24-,25+,27+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)N[C@@H](C2=CC=CC=C2)C3=CC=NC=C3
InChI: InChI=1S/C20H25N3S/c1-15-7-5-6-10-18(15)22-20(24)23-19(16-8-3-2-4-9-16)17-11-13-21-14-12-17/h2-4,8-9,11-15,18-19H,5-7,10H2,1H3,(H2,22,23,24)/t15-,18+,19+/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1C[C@H]([C@H](C2)[N+]3=CC=CC=C3)I
InChI: InChI=1S/C14H17IN/c15-13-9-11-5-4-6-12(11)10-14(13)16-7-2-1-3-8-16/h1-4,6-8,11-14H,5,9-10H2/q+1/t11-,12+,13+,14-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)[O-]
InChI: InChI=1S/C16H15NO5/c1-21-10-4-2-9(3-5-10)17-8-16-7-6-11(22-16)12(15(19)20)13(16)14(17)18/h2-7,11-13H,8H2,1H3,(H,19,20)/p-1/t11-,12+,13+,16-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](CC(=C)[C@@H]([C@H]1OC(=O)C)OC(=O)C)Br
InChI: InChI=1S/C13H17BrO6/c1-6-5-10(14)12(19-8(3)16)13(20-9(4)17)11(6)18-7(2)15/h10-13H,1,5H2,2-4H3/t10-,11-,12+,13+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)O)OS(=O)(=O)O
InChI: InChI=1S/C34H66O27S8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-62-34-32(61-69(49,50)51)29(60-68(46,47)48)27(25(55-34)24-53-67(43,44)45)56-33-31(59-66(5,41)42)30(58-65(4,39)40)28(57-64(3,37)38)26(54-33)23-52-63(2,35)36/h25-34H,6-24H2,1-5H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)/t25-,26-,27-,28+,29+,30+,31-,32-,33+,34+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@H](O2)CCCCO)OC(O3)(C)C)C
InChI: InChI=1S/C16H28O6/c1-15(2)18-9-11(20-15)12-14-13(21-16(3,4)22-14)10(19-12)7-5-6-8-17/h10-14,17H,5-9H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CSC6=NN=NN6C
InChI: InChI=1S/C35H37F3N6O5S/c1-21-29(20-50-34-40-41-42-43(34)2)48-32(49-30(21)24-13-11-22(19-45)12-14-24)27-9-4-8-26(17-27)25-7-3-6-23(16-25)18-39-31(46)28-10-5-15-44(28)33(47)35(36,37)38/h3-4,6-9,11-14,16-17,21,28-30,32,45H,5,10,15,18-20H2,1-2H3,(H,39,46)/t21-,28-,29+,30+,32+/m0/s1
SMILES: CCOC(=O)[C@@]1([C@H](C=C[C@@H]2N1OC(=O)CC2)C3=CC=CC=C3)C#N
InChI: InChI=1S/C18H18N2O4/c1-2-23-17(22)18(12-19)15(13-6-4-3-5-7-13)10-8-14-9-11-16(21)24-20(14)18/h3-8,10,14-15H,2,9,11H2,1H3/t14-,15+,18-/m0/s1
SMILES: CN1CC[C@H]([C@@H](C1)C2=CC=CC=C2)OC3=CC=C(C=C3)C(F)(F)F.C(=O)(C(=O)O)O
InChI: InChI=1S/C19H20F3NO.C2H2O4/c1-23-12-11-18(17(13-23)14-5-3-2-4-6-14)24-16-9-7-15(8-10-16)19(20,21)22;3-1(4)2(5)6/h2-10,17-18H,11-13H2,1H3;(H,3,4)(H,5,6)/t17-,18+;/m0./s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C24H38O2Si/c1-23(2,3)27(5,6)26-22-12-11-21-20-9-7-16-15-17(25)8-10-18(16)19(20)13-14-24(21,22)4/h8,10,15,19-22,25H,7,9,11-14H2,1-6H3/t19-,20-,21+,22+,24+/m1/s1
SMILES: C1[C@H]([C@H]([C@H]([C@@H](O1)[NH2+]CCC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C13H19NO4/c15-10-8-18-13(12(17)11(10)16)14-7-6-9-4-2-1-3-5-9/h1-5,10-17H,6-8H2/p+1/t10-,11-,12-,13-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OP(=O)([C@@H](C2=CN=CC=C2)O)O[C@@H]3C[C@H](CC[C@H]3C(C)C)C)C(C)C
InChI: InChI=1S/C26H44NO4P/c1-17(2)22-11-9-19(5)14-24(22)30-32(29,26(28)21-8-7-13-27-16-21)31-25-15-20(6)10-12-23(25)18(3)4/h7-8,13,16-20,22-26,28H,9-12,14-15H2,1-6H3/t19-,20+,22-,23+,24-,25-,26+,32?/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H22N2O7S/c1-10(19-15(21)12-4-2-3-5-13(12)16(19)22)17(23)26-8-14(20)18-11-6-7-27(24,25)9-11/h2-3,10-13H,4-9H2,1H3,(H,18,20)/t10-,11+,12-,13-/m0/s1
SMILES: CC(=O)O[C@H]1CCC[C@@H]2[C@@]13[C@H](O[C@H](C2)C[C@]34CO4)OC(=O)C
InChI: InChI=1S/C16H22O6/c1-9(17)20-13-5-3-4-11-6-12-7-15(8-19-15)16(11,13)14(22-12)21-10(2)18/h11-14H,3-8H2,1-2H3/t11-,12+,13-,14-,15-,16-/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3CNCCC4=CNC5=C4C=C(C=C5)OC
InChI: InChI=1S/C26H34N2O3/c1-16-5-4-9-26(2)13-24-20(12-22(16)26)21(25(29)31-24)15-27-10-8-17-14-28-23-7-6-18(30-3)11-19(17)23/h6-7,11,14,20-22,24,27-28H,1,4-5,8-10,12-13,15H2,2-3H3/t20-,21-,22+,24+,26-/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC=C(C=C4)Cl)C(=O)C5CCCO5)C(=O)NCCO)CO
InChI: InChI=1S/C29H33ClN2O8/c1-38-23-12-17(15-34)11-19-24-20(28(36)31-8-9-33)13-21(25(35)27(24)40-26(19)23)32(29(37)22-3-2-10-39-22)14-16-4-6-18(30)7-5-16/h4-7,11-13,21-22,24-25,27,33-35H,2-3,8-10,14-15H2,1H3,(H,31,36)/t21-,22?,24+,25+,27+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)[NH2+]CCOC2=C(C=C(C=C2)C)C
InChI: InChI=1S/C18H29NO/c1-13-8-9-18(15(3)12-13)20-11-10-19-17-7-5-6-14(2)16(17)4/h8-9,12,14,16-17,19H,5-7,10-11H2,1-4H3/p+1/t14-,16-,17+/m0/s1
SMILES: C[C@]12C=C[C@@H]3[C@H](C(=O)N3[C@H]1N(C(=O)O2)C4=CC=CC=C4)OC
InChI: InChI=1S/C16H16N2O4/c1-16-9-8-11-12(21-2)13(19)18(11)14(16)17(15(20)22-16)10-6-4-3-5-7-10/h3-9,11-12,14H,1-2H3/t11-,12-,14-,16+/m1/s1
SMILES: CC[C@@H](C)CC[C@@]1([C@H](CC[C@]2([C@H]1CCC[C@@H]2C)C)C)C
InChI: InChI=1S/C20H38/c1-7-15(2)11-13-19(5)17(4)12-14-20(6)16(3)9-8-10-18(19)20/h15-18H,7-14H2,1-6H3/t15-,16+,17+,18+,19-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@H](CCC2=O)C(=O)O[C@@H](C)C(=O)N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C23H26N2O5/c1-14-4-8-17(9-5-14)25-20(26)13-12-19(23(28)30-15(2)22(24)27)21(25)16-6-10-18(29-3)11-7-16/h4-11,15,19,21H,12-13H2,1-3H3,(H2,24,27)/t15-,19-,21+/m0/s1
SMILES: CC(=O)OCC(=O)N1[C@@H]([C@H]2CCC/C(=C\C3=CC=CC=C3)/C2=N1)C4=CC=CC=C4
InChI: InChI=1S/C24H24N2O3/c1-17(27)29-16-22(28)26-24(19-11-6-3-7-12-19)21-14-8-13-20(23(21)25-26)15-18-9-4-2-5-10-18/h2-7,9-12,15,21,24H,8,13-14,16H2,1H3/b20-15+/t21-,24+/m0/s1
SMILES: CC/C=C/C1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O
InChI: InChI=1S/C22H30O2/c1-3-4-5-15-12-18-14(13-20(15)23)6-7-17-16(18)10-11-22(2)19(17)8-9-21(22)24/h4-5,12-13,16-17,19,21,23-24H,3,6-11H2,1-2H3/b5-4+/t16-,17+,19-,21-,22-/m0/s1
SMILES: CC1=C(C=CC(=C1)N2C(=O)[C@H]3[C@@H]4CC(=O)[C@H]([C@H]3C2=O)SC4)Br
InChI: InChI=1S/C16H14BrNO3S/c1-7-4-9(2-3-10(7)17)18-15(20)12-8-5-11(19)14(22-6-8)13(12)16(18)21/h2-4,8,12-14H,5-6H2,1H3/t8-,12+,13+,14-/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C=C6)OC)O)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F)(O)O
InChI: InChI=1S/C39H32BClFN3O8/c1-53-32-16-5-20(17-31(32)46)34-27-14-15-28-33(37(49)44(35(28)47)26-4-2-3-22(18-26)40(51)52)29(27)19-30-36(48)45(43-25-12-10-24(42)11-13-25)38(50)39(30,34)21-6-8-23(41)9-7-21/h2-14,16-18,28-30,33-34,43,46,51-52H,15,19H2,1H3/t28-,29+,30-,33-,34-,39+/m0/s1
SMILES: CCO[C@H](CBr)O[C@@H]1C[C@H]2[C@@H](C=CC[C@@]2([C@@H]3[C@@]1(CC(=O)CC3)COCC4=CC=CC=C4)C)C
InChI: InChI=1S/C28H39BrO4/c1-4-32-26(17-29)33-25-15-23-20(2)9-8-14-27(23,3)24-13-12-22(30)16-28(24,25)19-31-18-21-10-6-5-7-11-21/h5-11,20,23-26H,4,12-19H2,1-3H3/t20-,23+,24-,25-,26+,27+,28-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](NC(=O)N([C@@]1(C(F)(F)F)O)C)C2=CC=C(C=C2)Br
InChI: InChI=1S/C15H16BrF3N2O4/c1-3-25-12(22)10-11(8-4-6-9(16)7-5-8)20-13(23)21(2)14(10,24)15(17,18)19/h4-7,10-11,24H,3H2,1-2H3,(H,20,23)/t10-,11-,14+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=C(C=C(C=C6)OC)OC)C(=O)NC7=CC=C(C=C7)OC)O)C(=C5)C(=O)CC8=C(C=CC=C8Cl)F)O)C
InChI: InChI=1S/C47H54ClFN2O7/c1-43-18-15-31(52)25-45(43)21-22-47(35(26-45)38(53)24-34-36(48)7-6-8-37(34)49)40(43)16-19-44(2)41(47)17-20-46(44,55)28-51(27-29-9-12-33(57-4)23-39(29)58-5)42(54)50-30-10-13-32(56-3)14-11-30/h6-14,21-23,26,31,40-41,52,55H,15-20,24-25,27-28H2,1-5H3,(H,50,54)/t31?,40-,41-,43-,44+,45+,46-,47-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)Cl)OC(=O)C)CCl)OC(=O)C)OC(=O)C)Cl
InChI: InChI=1S/C20H26Cl4O11/c1-8(25)29-6-13-14(23)16(30-9(2)26)17(31-10(3)27)19(33-13)35-20(7-22)18(32-11(4)28)15(24)12(5-21)34-20/h12-19H,5-7H2,1-4H3/t12-,13-,14+,15-,16+,17-,18+,19-,20+/m1/s1
SMILES: CC1C(O1)(C)C(=O)N[C@@H](C2=CC=CC=C2)[C@H](C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)O)O
InChI: InChI=1S/C45H53NO15/c1-22-28(58-39(53)33(50)32(26-15-11-9-12-16-26)46-40(54)43(8)23(2)60-43)20-45(55)37(59-38(52)27-17-13-10-14-18-27)35-42(7,29(49)19-30-44(35,21-56-30)61-25(4)48)36(51)34(57-24(3)47)31(22)41(45,5)6/h9-18,23,28-30,32-35,37,49-50,55H,19-21H2,1-8H3,(H,46,54)/t23?,28-,29-,30+,32-,33+,34+,35-,37-,42+,43?,44-,45+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](NC2[C@@H](C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]3C[C@]([C@@H]([C@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)(C)O
InChI: InChI=1S/C37H68N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-32,34,38,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23-,24+,25-,26-,27-,28+,29-,30-,31-,32?,34+,35+,36-,37-/m1/s1