EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H]([C@@H]3[C@H]([C@H]2OCC4=CC=CC=C4)CON3C)OCC5=CC=CC=C5)C
InChI: InChI=1S/C25H31NO5/c1-25(2)30-23-21(27-14-17-10-6-4-7-11-17)19-16-29-26(3)20(19)22(24(23)31-25)28-15-18-12-8-5-9-13-18/h4-13,19-24H,14-16H2,1-3H3/t19-,20+,21-,22-,23-,24+/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H](O1)NN=C(N)N)O)O)O.[N+](=O)(O)[O-]
InChI: InChI=1S/C6H14N4O4.HNO3/c7-6(8)10-9-5-4(13)3(12)2(11)1-14-5;2-1(3)4/h2-5,9,11-13H,1H2,(H4,7,8,10);(H,2,3,4)/t2-,3-,4+,5+;/m0./s1
SMILES: CCNC(=O)NCC1=CC(=CC=C1)C2=CC=C(C=C2)[C@@H]3O[C@@H]([C@@H]([C@@H](O3)C4=CC=C(C=C4)CO)C)CSC5=CC=CC=C5
InChI: InChI=1S/C35H38N2O4S/c1-3-36-35(39)37-21-26-8-7-9-30(20-26)27-16-18-29(19-17-27)34-40-32(23-42-31-10-5-4-6-11-31)24(2)33(41-34)28-14-12-25(22-38)13-15-28/h4-20,24,32-34,38H,3,21-23H2,1-2H3,(H2,36,37,39)/t24-,32+,33+,34+/m0/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)S(=O)C1=C)C(=O)OC
InChI: InChI=1S/C18H18N2O5S/c1-10-11(2)26(24)17-14(16(22)20(17)15(10)18(23)25-3)19-13(21)9-12-7-5-4-6-8-12/h4-8,14,17H,2,9H2,1,3H3,(H,19,21)/t14-,17-,26?/m1/s1
SMILES: CCC1=NO[C@H]([C@@H]1CC2=C(N=CC=C2)Br)[C@@H](C)O[Si](CC)(CC)CC
InChI: InChI=1S/C19H31BrN2O2Si/c1-6-17-16(13-15-11-10-12-21-19(15)20)18(23-22-17)14(5)24-25(7-2,8-3)9-4/h10-12,14,16,18H,6-9,13H2,1-5H3/t14-,16-,18+/m1/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)O)O)O)O
InChI: InChI=1S/C8H12Cl3NO6/c9-8(10,11)7(12)18-6-5(16)4(15)3(14)2(1-13)17-6/h2-6,12-16H,1H2/t2-,3+,4+,5-,6-/m1/s1
SMILES: COC1=C(C=C(C=C1)N2C=NC=N2)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H25N5O/c1-27-20-10-9-18(26-15-22-14-25-26)12-17(20)13-24-19-8-5-11-23-21(19)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,14-15,19,21,23-24H,5,8,11,13H2,1H3/t19-,21-/m0/s1
SMILES: CC(C)(C)NC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C20H22N2O3/c1-20(2,3)21-17(23)11-6-8-14(9-7-11)22-18(24)15-12-4-5-13(10-12)16(15)19(22)25/h4-9,12-13,15-16H,10H2,1-3H3,(H,21,23)/t12-,13+,15-,16-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CC=C4[C@@]3(CC[C@@H](C4)O)C=O
InChI: InChI=1S/C19H26O4/c1-18-6-5-14-13(15(18)9-16(22)17(18)23)3-2-11-8-12(21)4-7-19(11,14)10-20/h2,10,12-16,21-22H,3-9H2,1H3/t12-,13+,14-,15-,16+,18-,19+/m0/s1
SMILES: C[C@@H]1[C@H](C[C@H](O[C@H]1CC(=O)O)CC(=C)[C@H]([C@H](C)C[C@H](C(C)(C)[C@@H](C=C)O)O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C31H58O7Si/c1-13-27(32)31(11,12)28(33)15-22(9)30(36)21(8)14-24-16-26(23(10)25(37-24)17-29(34)35)38-39(18(2)3,19(4)5)20(6)7/h13,18-20,22-28,30,32-33,36H,1,8,14-17H2,2-7,9-12H3,(H,34,35)/t22-,23+,24-,25+,26+,27-,28-,30-/m1/s1
SMILES: C[C@@]12CCC(=O)C=C1CC[C@H]3[C@@H]2[C@@H](C[C@]4([C@@H]3CC[C@@]4(C(=O)CO)O)C)O
InChI: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20+,21+/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5CC5)O)O
InChI: InChI=1S/C22H26N8O7S/c1-2-23-20(33)17-15(31)16(32)21(37-17)30-10-26-14-18(24-9-25-19(14)30)28-22(34)27-11-5-7-13(8-6-11)38(35,36)29-12-3-4-12/h5-10,12,15-17,21,29,31-32H,2-4H2,1H3,(H,23,33)(H2,24,25,27,28,34)/t15-,16+,17-,21+/m0/s1
SMILES: CCCCCCC(=O)O[C@@H]1[C@H](C([C@@H]([C@@H](C1OC(=O)CCCCCC)OC(=O)CCCCCC)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C27H51O18P3/c1-4-7-10-13-16-19(28)40-22-23(41-20(29)17-14-11-8-5-2)25(43-46(31,32)33)27(45-48(37,38)39)26(44-47(34,35)36)24(22)42-21(30)18-15-12-9-6-3/h22-27H,4-18H2,1-3H3,(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)/t22?,23-,24+,25-,26-,27?/m1/s1
SMILES: C1CCCCN2C(=O)C3=CC=CC=C3[C@@]24[C@@]56CCCC[C@]5(O4)N(C(=O)CCC1)C7=CC=CC=C67
InChI: InChI=1S/C29H32N2O3/c32-25-17-5-3-1-2-4-12-20-30-26(33)21-13-6-7-14-22(21)29(30)27-18-10-11-19-28(27,34-29)31(25)24-16-9-8-15-23(24)27/h6-9,13-16H,1-5,10-12,17-20H2/t27-,28-,29-/m1/s1
SMILES: CCCCCCC1=C(SC=C1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COC(=O)C4=CC=C(C=C4)C)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C35H38N2O7S/c1-4-5-6-7-8-24-17-18-45-31(24)27-20-37(35(41)36-32(27)38)30-19-28(44-34(40)26-15-11-23(3)12-16-26)29(43-30)21-42-33(39)25-13-9-22(2)10-14-25/h9-18,20,28-30H,4-8,19,21H2,1-3H3,(H,36,38,41)/t28-,29+,30+/m0/s1
SMILES: COC1=C(C=C(C=C1)C[C@@H]2COC(=O)[C@@]2(CC3=CC(=C(C=C3)O)OC)O)OC
InChI: InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21+/m1/s1
SMILES: CCOC(=O)CC1=CSC(=N1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C16H18N2O5S/c1-2-23-11(19)6-10-7-24-16(17-10)18-14(20)12-8-3-4-9(5-8)13(12)15(21)22/h3-4,7-9,12-13H,2,5-6H2,1H3,(H,21,22)(H,17,18,20)/t8-,9+,12+,13+/m1/s1
SMILES: CCCC[C@@H]1CN2C[C@@H](C3=CC(=C(C=C3[C@H]2C[C@@H]1N)OC)OC)C4=CC(=C(C=C4)OC)OC.Cl
InChI: InChI=1S/C27H38N2O4.ClH/c1-6-7-8-18-15-29-16-21(17-9-10-24(30-2)25(11-17)31-3)19-12-26(32-4)27(33-5)13-20(19)23(29)14-22(18)28;/h9-13,18,21-23H,6-8,14-16,28H2,1-5H3;1H/t18-,21-,22+,23-;/m1./s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@]4([C@@]3(C[C@@H]5[C@H](C4)O5)C)O)C
InChI: InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-9-10-21-19-11-14-27(28)16-24-23(29-24)15-26(27,5)22(19)12-13-25(20,21)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,24+,25-,26-,27-/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)C4=CC=CC=C4CNC(=O)OCC=C)CN5CC[C@@H](C5)O
InChI: InChI=1S/C34H40N2O6/c1-3-18-40-34(39)35-19-28-6-4-5-7-30(28)25-12-14-27(15-13-25)33-41-31(21-36-17-16-29(38)20-36)23(2)32(42-33)26-10-8-24(22-37)9-11-26/h3-15,23,29,31-33,37-38H,1,16-22H2,2H3,(H,35,39)/t23-,29+,31+,32+,33+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@H]4C[C@H]4[C@@H](O3)Cl
InChI: InChI=1S/C22H27ClO2Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-20-18-14-19(18)21(23)25-20/h4-13,18-21H,14-15H2,1-3H3/t18-,19+,20-,21+/m0/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@H]2C(=O)NC4=CC=CC=C4)C(=O)O3
InChI: InChI=1S/C15H15NO3/c17-14(16-9-4-2-1-3-5-9)12-8-6-10-11(7-8)19-15(18)13(10)12/h1-5,8,10-13H,6-7H2,(H,16,17)/t8-,10+,11-,12+,13+/m1/s1
SMILES: B(C[C@@H]1CC[C@H]2C[C@@H]1C2(C)C)(C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)C[C@@H]5CC[C@H]6C[C@@H]5C6(C)C
InChI: InChI=1S/C30H51B/c1-28(2)22-10-7-19(25(28)13-22)16-31(17-20-8-11-23-14-26(20)29(23,3)4)18-21-9-12-24-15-27(21)30(24,5)6/h19-27H,7-18H2,1-6H3/t19-,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)N[C@@H](C(=O)N2)CC(=O)NC3=CC=C(C=C3)Br
InChI: InChI=1S/C16H20BrN3O2/c17-10-5-7-11(8-6-10)18-15(21)9-14-16(22)20-13-4-2-1-3-12(13)19-14/h5-8,12-14,19H,1-4,9H2,(H,18,21)(H,20,22)/t12-,13-,14+/m0/s1
SMILES: C[C@@]12C[C@H]([C@H]3[C@@H]([C@@H]1OC(O2)(C)C)OCC3=O)COC
InChI: InChI=1S/C14H22O5/c1-13(2)18-12-11-10(9(15)7-17-11)8(6-16-4)5-14(12,3)19-13/h8,10-12H,5-7H2,1-4H3/t8-,10+,11-,12-,14+/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)NC3=CC=CC=N3)C(=O)[O-]
InChI: InChI=1S/C14H14N2O3/c17-13(16-10-3-1-2-6-15-10)11-8-4-5-9(7-8)12(11)14(18)19/h1-6,8-9,11-12H,7H2,(H,18,19)(H,15,16,17)/p-1/t8-,9+,11+,12+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C(=C3)OC(=O)C)C(=O)C=C(O4)C5=CC=C(C=C5)O)CO)O)O)O)O)O
InChI: InChI=1S/C29H32O15/c1-11-22(34)24(36)26(38)28(39-11)44-27-25(37)23(35)20(10-30)43-29(27)41-15-7-18(40-12(2)31)21-16(33)9-17(42-19(21)8-15)13-3-5-14(32)6-4-13/h3-9,11,20,22-30,32,34-38H,10H2,1-2H3/t11-,20+,22-,23+,24+,25-,26+,27+,28-,29+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](SC2(C)C)[C@@](CO)(C3=CC=CC=C3)O
InChI: InChI=1S/C19H28O3S/c1-13-9-10-15-16(11-13)22-17(23-18(15,2)3)19(21,12-20)14-7-5-4-6-8-14/h4-8,13,15-17,20-21H,9-12H2,1-3H3/t13-,15-,16-,17-,19-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C
InChI: InChI=1S/C29H25Cl2FN2O6/c1-3-40-20-6-4-5-18(23(20)35)22-16-11-12-17-21(25(37)33(2)24(17)36)19(16)13-28(30)26(38)34(27(39)29(22,28)31)15-9-7-14(32)8-10-15/h4-11,17,19,21-22,35H,3,12-13H2,1-2H3/t17-,19+,21-,22+,28+,29-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CS5
InChI: InChI=1S/C22H18N2O4S/c1-27-16-11-9-14(10-12-16)23-21(25)18-19(17-8-5-13-29-17)24(28-20(18)22(23)26)15-6-3-2-4-7-15/h2-13,18-20H,1H3/t18-,19+,20+/m1/s1
SMILES: CCC1[C@@]([C@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@@H](C[C@@H](C(=O)O1)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C)(C)O)C)C)O)(C)O
InChI: InChI=1S/C38H67NO14/c1-14-27-38(10,46)31(42)22(5)29(41)20(3)17-36(8,45)33(53-35-30(50-24(7)40)25(39(11)12)16-21(4)48-35)19(2)15-26(34(44)52-27)51-28-18-37(9,47-13)32(43)23(6)49-28/h19-23,25-28,30-33,35,42-43,45-46H,14-18H2,1-13H3/t19-,20-,21?,22+,23?,25?,26+,27?,28?,30?,31+,32?,33-,35?,36-,37?,38-/m1/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC(=CC=C5)C=CC(=O)N(C)C)OC6(O4)CC7=CC=CC=C7C6)O
InChI: InChI=1S/C43H54N4O12/c1-24(49)33(38(52)44-29(23-48)15-17-32(51)56-41(2,3)4)45-40(54)43-21-30-34-35(58-42(57-34)19-27-12-7-8-13-28(27)20-42)37(43)59-47(36(43)39(53)55-30)22-26-11-9-10-25(18-26)14-16-31(50)46(5)6/h7-14,16,18,24,29-30,33-37,48-49H,15,17,19-23H2,1-6H3,(H,44,52)(H,45,54)/t24-,29-,30+,33+,34-,35-,36-,37+,43-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)C)C)[C@@H](CCC(C)(C)O)OC(=O)C
InChI: InChI=1S/C33H52O7/c1-19(29(39-21(3)35)14-15-31(5,6)37)26-11-12-27-25-10-9-23-17-24(38-20(2)34)18-30(40-22(4)36)33(23,8)28(25)13-16-32(26,27)7/h9,19,24-30,37H,10-18H2,1-8H3/t19-,24+,25-,26+,27-,28-,29+,30-,32+,33-/m0/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=CC(=C7)Cl)O)Cl)C)Cl)OC)OC
InChI: InChI=1S/C32H29Cl3N6O8/c1-37-20-13-24(49-4)23(48-3)12-19(20)36-18(26(37)43)8-9-39-29(46)40-10-7-16-21(41(40)30(39)47)14-31(34)27(44)38(2)28(45)32(31,35)25(16)17-11-15(33)5-6-22(17)42/h5-7,11-13,21,25,42H,8-10,14H2,1-4H3/t21-,25-,31-,32+/m1/s1
SMILES: C[C@H](CC/C=C(\C)/C(=O)O)[C@@]1(CC[C@@]2(C1=CC[C@]3([C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)O)C)C
InChI: InChI=1S/C32H50O5/c1-20(27(34)35)10-9-11-21(2)29(6)18-19-30(7)24(29)14-17-32(36)25(30)13-12-23-28(4,5)26(37-22(3)33)15-16-31(23,32)8/h10,14,21,23,25-26,36H,9,11-13,15-19H2,1-8H3,(H,34,35)/b20-10+/t21-,23+,25+,26+,29+,30-,31+,32-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C57H63NO11/c1-41(59)58-50-53(64-36-45-27-15-6-16-28-45)51(62-34-43-23-11-4-12-24-43)49(68-56(50)60-2)40-67-57-55(66-38-47-31-19-8-20-32-47)54(65-37-46-29-17-7-18-30-46)52(63-35-44-25-13-5-14-26-44)48(69-57)39-61-33-42-21-9-3-10-22-42/h3-32,48-57H,33-40H2,1-2H3,(H,58,59)/t48-,49-,50-,51-,52-,53-,54+,55-,56+,57+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=CC=C7
InChI: InChI=1S/C32H18Cl3F5N2O5/c33-18-10-13(43)6-7-15(18)20-14-8-9-16-19(28(45)41(27(16)44)12-4-2-1-3-5-12)17(14)11-31(34)29(46)42(30(47)32(20,31)35)26-24(39)22(37)21(36)23(38)25(26)40/h1-8,10,16-17,19-20,43H,9,11H2/t16-,17+,19-,20+,31+,32-/m0/s1
SMILES: CCCCO[C@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H24O8/c1-5-6-7-19-15-14(23-11(4)18)13(22-10(3)17)12(8-20-15)21-9(2)16/h12-15H,5-8H2,1-4H3/t12-,13+,14-,15-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2CC[C@]34[C@@H](C2)[C@H](CC(=O)N3)C5=CC=CC=C5O4
InChI: InChI=1S/C22H24N2O2/c1-15(16-7-3-2-4-8-16)24-12-11-22-19(14-24)18(13-21(25)23-22)17-9-5-6-10-20(17)26-22/h2-10,15,18-19H,11-14H2,1H3,(H,23,25)/t15-,18+,19-,22-/m0/s1
SMILES: B1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)[C@H](CC(=O)OCC)C=C
InChI: InChI=1S/C37H39BO6/c1-5-32(27-33(39)42-6-2)38-43-34(36(40-3,28-19-11-7-12-20-28)29-21-13-8-14-22-29)35(44-38)37(41-4,30-23-15-9-16-24-30)31-25-17-10-18-26-31/h5,7-26,32,34-35H,1,6,27H2,2-4H3/t32-,34+,35+/m0/s1
SMILES: CC1=C(SC(=N1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C
InChI: InChI=1S/C16H21N3O3S/c1-9-10(2)23-16(17-9)18-13(20)7-8-19-14(21)11-5-3-4-6-12(11)15(19)22/h11-12H,3-8H2,1-2H3,(H,17,18,20)/t11-,12+
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC(COC2=CC=CC=C2)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H30O12/c1-13(24)29-12-19-20(32-14(2)25)21(33-15(3)26)22(34-16(4)27)23(35-19)31-11-17(28)10-30-18-8-6-5-7-9-18/h5-9,17,19-23,28H,10-12H2,1-4H3/t17?,19-,20-,21+,22-,23-/m1/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CN([C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)C=O)OC)C(=O)NCCO)C(=O)CCC5CCCC5)C
InChI: InChI=1S/C35H49IN2O7/c1-35(2)25-10-9-23(26(35)18-25)19-38(31(41)11-8-21-6-4-5-7-21)28-16-24(34(43)37-12-13-39)17-29(32(28)42)45-33-27(36)14-22(20-40)15-30(33)44-3/h14-15,17,20-21,23,25-26,28-29,32,39,42H,4-13,16,18-19H2,1-3H3,(H,37,43)/t23-,25-,26-,28+,29-,32-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1CCC(=C)[C@@H]2[C@@]1(C(=O)[C@@H](C3=C([C@H](C[C@@]4([C@H]2OC(=O)O4)C3(C)C)O[Si](CC)(CC)CC)C)OC(=O)C)C
InChI: InChI=1S/C35H58O8Si2/c1-13-44(14-2,15-3)42-25-21-35-31(40-32(38)41-35)27-22(7)19-20-26(43-45(16-4,17-5)18-6)34(27,12)30(37)29(39-24(9)36)28(23(25)8)33(35,10)11/h25-27,29,31H,7,13-21H2,1-6,8-12H3/t25-,26-,27-,29+,31-,34+,35+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]
InChI: InChI=1S/C15H22N2O4S/c1-10-5-4-6-13(11(10)2)16-14-8-7-12(22(3,20)21)9-15(14)17(18)19/h7-11,13,16H,4-6H2,1-3H3/t10-,11+,13+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H](N(C1=O)CC2=CN=CC=C2)C3=CC=C(C=C3)O)[N+](=O)[O-])C4=CC=CC=C4
InChI: InChI=1S/C23H21N3O4/c27-19-10-8-18(9-11-19)22-23(26(29)30)20(17-6-2-1-3-7-17)13-21(28)25(22)15-16-5-4-12-24-14-16/h1-12,14,20,22-23,27H,13,15H2/t20-,22+,23-/m0/s1
SMILES: C[C@@H]1CC[C@]2([C@H]([C@]1(C)C[C@H](C(=C)C=C)O)CCC=C2COCC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C28H40O3/c1-7-20(2)25(29)17-28(5)21(3)15-16-27(4)23(9-8-10-26(27)28)19-31-18-22-11-13-24(30-6)14-12-22/h7,9,11-14,21,25-26,29H,1-2,8,10,15-19H2,3-6H3/t21-,25-,26-,27-,28-/m1/s1
SMILES: C1[C@H]2[C@H]([C@H]([C@H]([C@@H](O1)O2)Cl)NC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C13H14ClNO4/c14-9-10(11(16)8-6-18-13(9)19-8)15-12(17)7-4-2-1-3-5-7/h1-5,8-11,13,16H,6H2,(H,15,17)/t8-,9+,10-,11+,13-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCCNC(=O)C
InChI: InChI=1S/C20H27N3O2S/c1-13-7-6-10-18(14(13)2)23-19(25)16-8-4-5-9-17(16)22-20(23)26-12-11-21-15(3)24/h4-5,8-9,13-14,18H,6-7,10-12H2,1-3H3,(H,21,24)/t13-,14-,18+/m1/s1
SMILES: C[C@@H]1[C@@H](C[C@H](N([C@H]1C2=CC=CC=C2)C)C3=CC=CC=C3)O
InChI: InChI=1S/C19H23NO/c1-14-18(21)13-17(15-9-5-3-6-10-15)20(2)19(14)16-11-7-4-8-12-16/h3-12,14,17-19,21H,13H2,1-2H3/t14-,17+,18-,19-/m1/s1
SMILES: C1[C@H]([C@H]1C(=O)N[C@@H]2C[C@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C19H19NO/c21-19(17-11-15(17)13-7-3-1-4-8-13)20-18-12-16(18)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2,(H,20,21)/t15-,16-,17-,18+/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC(=CC=C6)Cl
InChI: InChI=1S/C28H20ClNO5/c1-2-15-10-12-18(13-11-15)30-26(33)21-22(27(30)34)28(35-23(21)16-6-5-7-17(29)14-16)24(31)19-8-3-4-9-20(19)25(28)32/h3-14,21-23H,2H2,1H3/t21-,22+,23-/m0/s1
SMILES: CC(=O)[C@@H]1CC[C@]2([C@@]1([C@@H](C[C@H]3[C@]2(CC=C4[C@@]3(CC[C@@H](C4)O)C)O)O)C)O
InChI: InChI=1S/C21H32O5/c1-12(22)15-6-9-21(26)19(15,3)17(24)11-16-18(2)7-5-14(23)10-13(18)4-8-20(16,21)25/h4,14-17,23-26H,5-11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-,21+/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3=CCCCC3)[C@@]4(C1=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=CC=C(C=C9)N1CCOCC1
InChI: InChI=1S/C60H61N5O10/c1-38(2)50(56(68)72-3)62-59(71)64-48-29-24-40(23-22-39-14-7-4-8-15-39)36-47(48)60(58(64)70)49(55(67)61-44-25-27-45(28-26-44)63-30-33-73-34-31-63)52-57(69)75-53(42-18-11-6-12-19-42)51(41-16-9-5-10-17-41)65(52)54(60)43-20-13-21-46(37-43)74-35-32-66/h5-6,9-14,16-21,24-29,36-38,49-54,66H,4,7-8,15,30-35H2,1-3H3,(H,61,67)(H,62,71)/t49-,50+,51-,52-,53+,54+,60-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)F)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H21FN2O5/c1-11(22-17(24)14-4-2-3-5-15(14)18(22)25)19(26)27-10-16(23)21-13-8-6-12(20)7-9-13/h6-9,11,14-15H,2-5,10H2,1H3,(H,21,23)/t11-,14-,15+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC(=NC2=CC=CC=C2)C(F)(F)F)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H21F3N4O8/c1-10(28)31-9-14-16(32-11(2)29)17(33-12(3)30)15(26-27-24)18(34-14)35-19(20(21,22)23)25-13-7-5-4-6-8-13/h4-8,14-18H,9H2,1-3H3/t14-,15-,16+,17-,18?/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH2+][C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C19H26N2O3/c1-3-24-15-10-8-14(9-11-15)21-18(22)12-17(19(21)23)20-16-7-5-4-6-13(16)2/h8-11,13,16-17,20H,3-7,12H2,1-2H3/p+1/t13-,16+,17+/m0/s1
SMILES: CC1([C@H]2CCN3CCC[C@H]3[C@H]2NC4=C1C=C(C=C4)CC5=CC=C(C=C5)N)C
InChI: InChI=1S/C24H31N3/c1-24(2)19-11-13-27-12-3-4-22(27)23(19)26-21-10-7-17(15-20(21)24)14-16-5-8-18(25)9-6-16/h5-10,15,19,22-23,26H,3-4,11-14,25H2,1-2H3/t19-,22-,23-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6CCOCC6
InChI: InChI=1S/C36H41N3O8/c1-24-31(21-38-15-17-44-18-16-38)46-35(47-33(24)28-11-9-26(22-40)10-12-28)29-13-7-25(8-14-29)20-39-32(41)19-30(34(39)42)37-36(43)45-23-27-5-3-2-4-6-27/h2-14,24,30-31,33,35,40H,15-23H2,1H3,(H,37,43)/t24-,30?,31+,33+,35+/m1/s1
SMILES: C[C@H](CCC(=O)NC(CCC(=O)O)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C29H47NO8/c1-15(4-8-24(34)30-21(27(37)38)7-9-25(35)36)18-5-6-19-26-20(14-23(33)29(18,19)3)28(2)11-10-17(31)12-16(28)13-22(26)32/h15-23,26,31-33H,4-14H2,1-3H3,(H,30,34)(H,35,36)(H,37,38)/t15-,16+,17-,18-,19+,20+,21?,22-,23+,26+,28+,29-/m1/s1
SMILES: CCCC(=O)N1C(=O)N([C@]2([C@@]1(N(C(=O)N2C)C(=O)C=C)C)C)C
InChI: InChI=1S/C15H22N4O4/c1-7-9-11(21)19-13(23)17(6)14(3)15(19,4)18(10(20)8-2)12(22)16(14)5/h8H,2,7,9H2,1,3-6H3/t14-,15+/m0/s1
SMILES: CC1=CC(=CC=C1)CO[C@]2(C[C@@H]3[C@H]([C@H](C2)OCC=C)OC(O3)(C)C)C(=O)NC4CC4
InChI: InChI=1S/C24H33NO5/c1-5-11-27-19-13-24(22(26)25-18-9-10-18,14-20-21(19)30-23(3,4)29-20)28-15-17-8-6-7-16(2)12-17/h5-8,12,18-21H,1,9-11,13-15H2,2-4H3,(H,25,26)/t19-,20+,21-,24+/m0/s1
SMILES: CC1=CC(=C(C=C1C)C2=CSC(=N2)NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)C
InChI: InChI=1S/C21H26N2OS/c1-12-6-14(3)18(7-13(12)2)19-11-25-21(22-19)23-20(24)10-17-9-15-4-5-16(17)8-15/h6-7,11,15-17H,4-5,8-10H2,1-3H3,(H,22,23,24)/t15-,16+,17+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)OCCN=C(N)N
InChI: InChI=1S/C20H28N4O8/c21-19(22)23-6-7-28-14-10-30-17-15(11-31-16(14)17)29-9-13(18(25)26)24-20(27)32-8-12-4-2-1-3-5-12/h1-5,13-17H,6-11H2,(H,24,27)(H,25,26)(H4,21,22,23)/t13-,14-,15+,16+,17+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)CON2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C29H27NO3/c1-29(2,3)18-14-12-17(13-15-18)16-33-30-27(31)25-23-19-8-4-5-9-20(19)24(26(25)28(30)32)22-11-7-6-10-21(22)23/h4-15,23-26H,16H2,1-3H3/t23?,24?,25-,26+
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3C[C@@H](CC[C@H]3N=C2C4=CN(C(=O)N=C4)C)O)OC.C(CS(=O)(=O)O)S(=O)(=O)O
InChI: InChI=1S/C21H25N3O4.C2H6O6S2/c1-4-28-19-8-14-15-7-13(25)5-6-17(15)23-20(16(14)9-18(19)27-3)12-10-22-21(26)24(2)11-12;3-9(4,5)1-2-10(6,7)8/h8-11,13,15,17,25H,4-7H2,1-3H3;1-2H2,(H,3,4,5)(H,6,7,8)/t13-,15-,17-;/m1./s1
SMILES: CC(C)[C@H]1C[C@@H]([C@@]2([NH2+]1)C3=C(C=CC(=C3)Cl)NC2=O)C(=O)NC4=CC=C(C=C4)OC
InChI: InChI=1S/C22H24ClN3O3/c1-12(2)19-11-17(20(27)24-14-5-7-15(29-3)8-6-14)22(26-19)16-10-13(23)4-9-18(16)25-21(22)28/h4-10,12,17,19,26H,11H2,1-3H3,(H,24,27)(H,25,28)/p+1/t17-,19-,22+/m1/s1
SMILES: C[C@@H]([C@H]1[C@@H](CC2[C@@]1(CC(=O)C3C2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C)C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C30H56O4Si3/c1-20(32-35(4,5)6)27-26(34-37(10,11)12)18-24-23-14-13-21-17-22(33-36(7,8)9)15-16-29(21,2)28(23)25(31)19-30(24,27)3/h13,20,22-24,26-28H,14-19H2,1-12H3/t20-,22-,23?,24?,26+,27-,28?,29-,30-/m0/s1
SMILES: CCCCCCOC(C)C1=C2C=C3C(=C(C(=CC4=NC(=C(C5=NC(=CC(=C1C)N2)[C@H]([C@@H]5CCC(=O)OC)C)CC(=O)OC)C(=C4C)C(=O)OC)N3)CC)C
InChI: InChI=1S/C43H56N4O7/c1-11-13-14-15-18-54-27(7)39-25(5)33-20-32-24(4)29(16-17-37(48)51-8)41(46-32)30(19-38(49)52-9)42-40(43(50)53-10)26(6)34(47-42)21-35-28(12-2)23(3)31(44-35)22-36(39)45-33/h20-22,24,27,29,44-45H,11-19H2,1-10H3/t24-,27?,29-/m0/s1
SMILES: CN1C=CC=C1C(=O)N2CC[C@@H]([C@H]2C(=O)N3CCC[C@@H]3C(=O)N)NC(=O)NC4=CC(=CC=C4)SC
InChI: InChI=1S/C24H30N6O4S/c1-28-11-4-9-19(28)22(32)30-13-10-17(20(30)23(33)29-12-5-8-18(29)21(25)31)27-24(34)26-15-6-3-7-16(14-15)35-2/h3-4,6-7,9,11,14,17-18,20H,5,8,10,12-13H2,1-2H3,(H2,25,31)(H2,26,27,34)/t17-,18+,20-/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)[C@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCOC)C
InChI: InChI=1S/C18H24N2O4/c1-10-8-11(2)14(12(3)9-10)16-15(13(4)19-18(22)20-16)17(21)24-7-6-23-5/h8-9,15-16H,4,6-7H2,1-3,5H3,(H2,19,20,22)/t15-,16-/m0/s1
SMILES: C1=CC=C(C=C1)CSC[C@H]2[C@H]([C@@H]([C@H](N2)CO)O)O
InChI: InChI=1S/C13H19NO3S/c15-6-10-12(16)13(17)11(14-10)8-18-7-9-4-2-1-3-5-9/h1-5,10-17H,6-8H2/t10-,11+,12-,13-/m1/s1
SMILES: CCCOC1=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/C27H26N2O5/c1-3-17-33-20-15-13-18(14-16-20)28-26(30)23-24(21-11-7-8-12-22(21)32-2)29(34-25(23)27(28)31)19-9-5-4-6-10-19/h4-16,23-25H,3,17H2,1-2H3/t23-,24-,25-/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C#N
InChI: InChI=1S/C21H22N2O5/c1-11(24)26-16-5-3-13-9-15-14-4-6-17(27-12(2)25)20-21(14,7-8-23(15)10-22)18(13)19(16)28-20/h3,5,14-15,17,20H,4,6-9H2,1-2H3/t14-,15+,17+,20-,21-/m0/s1
SMILES: CC(=O)OC[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]2OC(=O)C)NC(=O)C(Cl)(Cl)Cl)O)CO)NC(=O)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H30Cl6N2O15/c1-7(34)41-6-12-16(42-8(2)35)18(44-10(4)37)14(32-22(40)24(28,29)30)20(46-12)47-15-11(5-33)45-19(38)13(17(15)43-9(3)36)31-21(39)23(25,26)27/h11-20,33,38H,5-6H2,1-4H3,(H,31,39)(H,32,40)/t11-,12-,13-,14-,15-,16-,17+,18+,19+,20+/m1/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@H](C([C@H]2[NH+]1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C25H22ClN3O/c1-24(2,3)23(30)21-20(17-8-6-9-18(26)13-17)25(14-27,15-28)22-19-10-5-4-7-16(19)11-12-29(21)22/h4-13,20-22H,1-3H3/p+1/t20-,21+,22+/m1/s1
SMILES: C=CC[C@@H]1C(=O)[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C57H60O10/c1-2-21-48-51(58)54(62-37-45-28-15-6-16-29-45)53(50(65-48)41-60-35-43-24-11-4-12-25-43)67-57-56(64-39-47-32-19-8-20-33-47)55(63-38-46-30-17-7-18-31-46)52(61-36-44-26-13-5-14-27-44)49(66-57)40-59-34-42-22-9-3-10-23-42/h2-20,22-33,48-50,52-57H,1,21,34-41H2/t48-,49-,50-,52+,53-,54-,55+,56-,57+/m1/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)[O-]
InChI: InChI=1S/C20H15NO4/c22-14(23)9-21-19(24)17-15-10-5-1-2-6-11(10)16(18(17)20(21)25)13-8-4-3-7-12(13)15/h1-8,15-18H,9H2,(H,22,23)/p-1/t15?,16?,17-,18-/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CC(C)(C4=CC=CC=C4)O)N)O)O
InChI: InChI=1S/C22H24N6O5/c1-3-24-20(31)17-15(29)16(30)21(33-17)28-11-25-14-18(23)26-13(27-19(14)28)9-10-22(2,32)12-7-5-4-6-8-12/h4-8,11,15-17,21,29-30,32H,3H2,1-2H3,(H,24,31)(H2,23,26,27)/t15-,16+,17-,21+,22?/m0/s1
SMILES: C[C@@H]1C[C@]2(C[C@H](C(=O)O2)C)O[C@@H]3[C@H]1[C@]4(CC[C@H]5C=C6[C@@H](CCC[C@@]4(C3)C)C(OC(=O)C=C6O5)(C)C)C
InChI: InChI=1S/C30H42O6/c1-17-14-30(15-18(2)26(32)36-30)34-23-16-28(5)10-7-8-21-20-12-19(9-11-29(28,6)25(17)23)33-22(20)13-24(31)35-27(21,3)4/h12-13,17-19,21,23,25H,7-11,14-16H2,1-6H3/t17-,18-,19+,21-,23+,25+,28-,29-,30+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@H]([C@H](C2=C)O)C3=C(C=C(O3)[C@@H]4[C@](O4)(C[C@H]5[C@H]6[C@]1(O6)C(=O)O5)C)C(=O)OC
InChI: InChI=1S/C23H24O10/c1-8-10-6-14(29-9(2)24)23-19(33-23)13(31-21(23)27)7-22(3)18(32-22)12-5-11(20(26)28-4)17(30-12)15(10)16(8)25/h5,10,13-16,18-19,25H,1,6-7H2,2-4H3/t10-,13-,14+,15+,16-,18+,19-,22+,23-/m0/s1
SMILES: C[C@H]\1[C@@H]([NH+]([C@@H](C/C1=N\O)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C19H22N2O/c1-14-17(20-22)13-18(15-9-5-3-6-10-15)21(2)19(14)16-11-7-4-8-12-16/h3-12,14,18-19,22H,13H2,1-2H3/p+1/b20-17+/t14-,18+,19-/m1/s1
SMILES: C1[C@H]2[C@@H]([C@H](C(=O)O1)O)O[C@@H](O2)C3=CC=CC=C3
InChI: InChI=1S/C12H12O5/c13-9-10-8(6-15-11(9)14)16-12(17-10)7-4-2-1-3-5-7/h1-5,8-10,12-13H,6H2/t8-,9+,10-,12+/m0/s1
SMILES: CC(=N)[C@H]1C[C@@H](O[C@@H]1CO)N2C=CC3=C(C=CN=C32)[N+](=O)[O-]
InChI: InChI=1S/C14H16N4O4/c1-8(15)10-6-13(22-12(10)7-19)17-5-3-9-11(18(20)21)2-4-16-14(9)17/h2-5,10,12-13,15,19H,6-7H2,1H3/t10-,12-,13-/m1/s1