EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@H](OC1)COC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C14H18O5/c15-13(16)11-8-3-4-9(6-8)12(11)14(17)19-7-10-2-1-5-18-10/h3-4,8-12H,1-2,5-7H2,(H,15,16)/t8-,9+,10+,11+,12+/m1/s1
SMILES: CN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=CC=C(C=C3)Cl)(CCSC)C(=O)OC
InChI: InChI=1S/C18H21ClN2O4S/c1-21-15(22)12-13(16(21)23)18(8-9-26-3,17(24)25-2)20-14(12)10-4-6-11(19)7-5-10/h4-7,12-14,20H,8-9H2,1-3H3/p+1/t12-,13+,14-,18-/m1/s1
SMILES: C=CCCC1([C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@@]2([C@@H]([C@H]([C@@H](O2)CO)O)O)CO)CO)O)O
InChI: InChI=1S/C16H28O11/c1-2-3-4-15(24)11(21)9(6-18)25-14(13(15)23)27-16(7-19)12(22)10(20)8(5-17)26-16/h2,8-14,17-24H,1,3-7H2/t8-,9+,10-,11+,12+,13-,14+,15?,16+/m0/s1
SMILES: C[C@@]1(CC(=O)[C@]23[C@]4([C@H](CCC([C@@H]4[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)NCCN)(C)C)OC(O3)N(C)C)C)C=C
InChI: InChI=1S/C26H43N3O7/c1-9-23(4)14-15(30)26-24(5)16(33-21(35-26)29(7)8)10-11-22(2,3)18(24)17(19(31)25(26,6)36-23)34-20(32)28-13-12-27/h9,16-19,21,31H,1,10-14,27H2,2-8H3,(H,28,32)/t16-,17-,18-,19-,21?,23-,24-,25+,26-/m0/s1
SMILES: CCC(=O)N1[C@@H]([C@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=C(C=C4)N(C)C
InChI: InChI=1S/C23H27N3O2/c1-5-21(27)26-23(16-6-10-17(11-7-16)25(2)3)19-13-9-15-8-12-18(28-4)14-20(15)22(19)24-26/h6-8,10-12,14,19,23H,5,9,13H2,1-4H3/t19-,23+/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H21NO4/c1-14-10-11-18-19(12-14)21(25)23(20(18)24)16-8-5-9-17(13-16)27-22(26)15-6-3-2-4-7-15/h2-9,13-14,18-19H,10-12H2,1H3/t14-,18-,19+/m0/s1
SMILES: C[C@@H](C(=O)NC1=NC(=CS1)/C(=N/OC)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)OCOC(=O)C(C)(C)C)N.Cl
InChI: InChI=1S/C22H28N6O8S2.ClH/c1-10(23)15(29)26-21-24-11(8-38-21)13(27-34-5)16(30)25-14-17(31)28-12(6-7-37-18(14)28)19(32)35-9-36-20(33)22(2,3)4;/h6,8,10,14,18H,7,9,23H2,1-5H3,(H,25,30)(H,24,26,29);1H/b27-13-;/t10-,14+,18+;/m0./s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C=C)O
InChI: InChI=1S/C43H35NO6/c1-3-25-14-16-28(17-15-25)44-41(48)32-21-20-30-34(38(32)42(44)49)23-35-40(47)33(26-10-6-4-7-11-26)24-37(46)43(35,27-12-8-5-9-13-27)39(30)31-19-18-29(50-2)22-36(31)45/h3-20,22,24,32,34-35,38-39,45H,1,21,23H2,2H3/t32-,34+,35-,38-,39+,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@@]5(C2(C)C)[C@H]([C@@H]1OC(=O)C)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)CCCCC7=CC=C(C=C7)C(=O)C8=CC=CC=C8)C)OC(=O)C
InChI: InChI=1S/C52H54O16/c1-28-39-42(63-30(3)54)44(58)50(7)36(64-38(56)21-15-14-16-32-22-24-34(25-23-32)40(57)33-17-10-8-11-18-33)26-37-51(27-61-37,67-31(4)55)43(50)46(65-47(59)35-19-12-9-13-20-35)52(49(39,5)6)45(66-48(60)68-52)41(28)62-29(2)53/h8-13,17-20,22-25,36-37,41-43,45-46H,14-16,21,26-27H2,1-7H3/t36-,37+,41+,42+,43-,45-,46-,50+,51-,52+/m0/s1
SMILES: C[C@@H](CCC=C(C)C)C1CC[C@]2([C@H]1C=C([C@@H]3[C@H](C2)[C@](CC3=O)(C)O)C=O)C
InChI: InChI=1S/C24H36O3/c1-15(2)7-6-8-16(3)18-9-10-23(4)12-20-22(17(14-25)11-19(18)23)21(26)13-24(20,5)27/h7,11,14,16,18-20,22,27H,6,8-10,12-13H2,1-5H3/t16-,18?,19-,20-,22+,23+,24+/m0/s1
SMILES: CC1=CC(=O)[C@]2([C@H]3CC[C@@H]4CC(=O)CC[C@@]4(C3=CC[C@@H]2S1(=O)=O)C)C
InChI: InChI=1S/C20H26O4S/c1-12-10-17(22)20(3)16-5-4-13-11-14(21)8-9-19(13,2)15(16)6-7-18(20)25(12,23)24/h6,10,13,16,18H,4-5,7-9,11H2,1-3H3/t13-,16+,18+,19+,20-/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)OCC(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)O
InChI: InChI=1S/C23H44O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(25)32-14-17(24)15-33-23-22(28)21(27)20(26)18(34-23)16-35(29,30)31/h17-18,20-24,26-28H,2-16H2,1H3,(H,29,30,31)/t17?,18-,20-,21+,22-,23+/m1/s1
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)[C@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C22H25NO6S/c1-3-29-22(27)18-17(13-8-10-14(28-2)11-9-13)12-30-20(18)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-12,15-16H,3-7H2,1-2H3,(H,23,24)(H,25,26)/t15-,16-/m0/s1
SMILES: C[C@@H]1CO[C@@]2(O1)[C@]3([C@](C3(C)C)(C(=N2)N)C#N)C#N
InChI: InChI=1S/C12H14N4O2/c1-7-4-17-12(18-7)11(6-14)9(2,3)10(11,5-13)8(15)16-12/h7H,4H2,1-3H3,(H2,15,16)/t7-,10+,11-,12-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)CNC5=O)O)O)O
InChI: InChI=1S/C26H23N3O5/c1-11-22(30)23(31)24(32)26(34-11)29-16-9-5-3-7-13(16)18-19-14(10-27-25(19)33)17-12-6-2-4-8-15(12)28-20(17)21(18)29/h2-9,11,22-24,26,28,30-32H,10H2,1H3,(H,27,33)/t11-,22-,23+,24+,26+/m1/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)Cl
InChI: InChI=1S/C18H22ClNO4/c1-23-16-5-4-14(9-15(16)19)20-17(21)10-24-18(22)8-13-7-11-2-3-12(13)6-11/h4-5,9,11-13H,2-3,6-8,10H2,1H3,(H,20,21)/t11-,12+,13-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NCC4=CC(=CC(=C4)OC)OC)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C29H40N2O4/c1-28-12-10-23-21(6-9-25-29(23,2)13-11-26(32)31(25)3)22(28)7-8-24(28)27(33)30-17-18-14-19(34-4)16-20(15-18)35-5/h11,13-16,21-25H,6-10,12,17H2,1-5H3,(H,30,33)/t21-,22-,23-,24+,25+,28-,29+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC2=CC=CC=C2[C@H]3[C@@H]1C=C3
InChI: InChI=1S/C18H26OSi/c1-18(2,3)20(4,5)19-17-12-13-8-6-7-9-14(13)15-10-11-16(15)17/h6-11,15-17H,12H2,1-5H3/t15-,16-,17-/m0/s1
SMILES: COC(=O)[C@@]1([C@@H]([C@H]([NH+]2[C@@H]1C3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)C#N
InChI: InChI=1S/C28H21BrN2O3/c1-34-27(33)28(17-30)23(19-11-13-21(29)14-12-19)24(25(32)20-8-3-2-4-9-20)31-16-15-18-7-5-6-10-22(18)26(28)31/h2-16,23-24,26H,1H3/p+1/t23-,24+,26-,28-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)COC2=CC(=CC=C2)Cl
InChI: InChI=1S/C17H24ClN3O2S/c1-11-5-3-8-15(12(11)2)19-17(24)21-20-16(22)10-23-14-7-4-6-13(18)9-14/h4,6-7,9,11-12,15H,3,5,8,10H2,1-2H3,(H,20,22)(H2,19,21,24)/t11-,12-,15-/m1/s1
SMILES: C1[C@H]2COC3=C([C@H]2[NH2+][C@H](O1)C4=CN=CC=C4)C5=CC=CC=C5C=C3
InChI: InChI=1S/C20H18N2O2/c1-2-6-16-13(4-1)7-8-17-18(16)19-15(11-23-17)12-24-20(22-19)14-5-3-9-21-10-14/h1-10,15,19-20,22H,11-12H2/p+1/t15-,19+,20-/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCC(=O)O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C28H46O12/c1-25(2,3)21(31)36-13-15-17(38-22(32)26(4,5)6)18(39-23(33)27(7,8)9)19(40-24(34)28(10,11)12)20(37-15)35-14-16(29)30/h15,17-20H,13-14H2,1-12H3,(H,29,30)/t15-,17-,18+,19-,20?/m1/s1
SMILES: CN1[C@H]([C@H](CO1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C16H17NO3S/c1-17-16(13-8-4-2-5-9-13)15(12-20-17)21(18,19)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3/t15-,16-/m0/s1
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
InChI: InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17+,18-,19+,21-/m1/s1
SMILES: CC1=C(C(=NC2=NC=NN12)C)CC(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C18H25N5O/c1-12-16(13(2)23-18(21-12)19-11-20-23)9-17(24)22-8-7-14-5-3-4-6-15(14)10-22/h11,14-15H,3-10H2,1-2H3/t14-,15+/m0/s1
SMILES: CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=C5C=C(C=C6)Br)C)C4O)C)O
InChI: InChI=1S/C21H28BrN2O2/c1-4-11-12-8-15-18-21(13-7-10(22)5-6-14(13)23(18)2)9-16(17(12)19(21)25)24(15,3)20(11)26/h5-7,11-12,15-20,25-26H,4,8-9H2,1-3H3/q+1/t11-,12?,15-,16-,17?,18-,19?,20+,21?,24?/m0/s1
SMILES: C[C@H]1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[C@@]14C[C@@H]4C(=O)[O-]
InChI: InChI=1S/C13H18O2/c1-6-10-7-2-3-8(4-7)11(10)13(6)5-9(13)12(14)15/h6-11H,2-5H2,1H3,(H,14,15)/p-1/t6-,7+,8-,9+,10+,11-,13-/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)NC(=O)[C@@H]4C[C@@H]4C5=CC=CC=C5
InChI: InChI=1S/C26H30N2O2/c29-25(21-15-19(21)17-9-3-1-4-10-17)27-23-13-7-8-14-24(23)28-26(30)22-16-20(22)18-11-5-2-6-12-18/h1-6,9-12,19-24H,7-8,13-16H2,(H,27,29)(H,28,30)/t19-,20-,21-,22+,23+,24-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]([C@@]2(C1=O)Cl)C5=C(C(=CC(=C5)Br)OC)O)Cl
InChI: InChI=1S/C21H19BrCl2N4O6/c1-25-16(30)20(23)8-12-10(4-5-27-18(32)26(2)19(33)28(12)27)14(21(20,24)17(25)31)11-6-9(22)7-13(34-3)15(11)29/h4,6-7,12,14,29H,5,8H2,1-3H3/t12-,14-,20-,21+/m1/s1
SMILES: CC1=CCC(CC1)C(C)(CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI: InChI=1S/C16H28O7/c1-9-3-5-10(6-4-9)16(2,21)8-22-15-14(20)13(19)12(18)11(7-17)23-15/h3,10-15,17-21H,4-8H2,1-2H3/t10?,11-,12-,13+,14-,15-,16?/m1/s1
SMILES: C/C=C/1\CC[C@]2([C@H](C1)CCC3C2CC[C@]4([C@H]3C[C@H]5C4=NN([C@@H]5C6=CC=C(C=C6)OC)C)C)C
InChI: InChI=1S/C30H42N2O/c1-6-19-13-15-29(2)21(17-19)9-12-23-25(29)14-16-30(3)26(23)18-24-27(32(4)31-28(24)30)20-7-10-22(33-5)11-8-20/h6-8,10-11,21,23-27H,9,12-18H2,1-5H3/b19-6+/t21-,23?,24+,25?,26-,27+,29-,30-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=CC4=CC=C(C=C4)C(=O)O[C@@H]5CC(=C[C@@H]6[C@H]5OC(O6)(C7CC7)C8CC8)C(=O)NCC9=CC(=CC=C9)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCC1O2
InChI: InChI=1S/C53H68N2O10/c1-50(2,3)64-45(57)21-19-39(30-56)55-48(59)35-9-7-8-32(25-35)29-54-47(58)36-26-42(46-43(27-36)62-53(65-46,37-15-16-37)38-17-18-38)61-49(60)33-12-10-31(11-13-33)24-34-14-20-44-52(6,63-44)23-22-41-40(34)28-51(41,4)5/h7-13,24-25,27,37-44,46,56H,14-23,26,28-30H2,1-6H3,(H,54,58)(H,55,59)/t39-,40+,41+,42+,43+,44?,46-,52+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC3=CC(=O)OC4=C3C=C(C(=C4)C)C
InChI: InChI=1S/C22H24N2O5/c1-12-6-4-5-7-17(12)24-21(27)20(26)23(22(24)28)11-15-10-19(25)29-18-9-14(3)13(2)8-16(15)18/h8-10,12,17H,4-7,11H2,1-3H3/t12-,17+/m0/s1
SMILES: CCOC(=O)/C(=C\C[C@H]1[C@@H](CC[C@H]([C@H]1OCOC)C(C)C)C)/C
InChI: InChI=1S/C19H34O4/c1-7-22-19(20)15(5)9-11-17-14(4)8-10-16(13(2)3)18(17)23-12-21-6/h9,13-14,16-18H,7-8,10-12H2,1-6H3/b15-9-/t14-,16+,17+,18-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCCCCSC(=O)C)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H48O19S/c1-16(34)43-14-24-26(45-18(3)36)28(46-19(4)37)31(49-22(7)40)33(51-24)52-27-25(15-44-17(2)35)50-32(42-12-10-9-11-13-53-23(8)41)30(48-21(6)39)29(27)47-20(5)38/h24-33H,9-15H2,1-8H3/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1
SMILES: C[C@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)OC[C@@H]3[C@H]4[C@@H]([C@@H]5[C@H](O3)OC(O5)(C)C)OC(O4)(C)C)O)O[C@@H](O2)C(Cl)(Cl)Cl
InChI: InChI=1S/C20H29Cl3O10/c1-7-10-12(29-17(28-10)20(21,22)23)9(24)15(26-7)25-6-8-11-13(31-18(2,3)30-11)14-16(27-8)33-19(4,5)32-14/h7-17,24H,6H2,1-5H3/t7-,8+,9+,10-,11-,12+,13-,14+,15+,16+,17+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OP(N(C(C)C)C(C)C)OCCC#N)C)C
InChI: InChI=1S/C36H63N2O2P/c1-25(2)12-10-13-28(7)32-16-17-33-31-15-14-29-24-30(18-20-35(29,8)34(31)19-21-36(32,33)9)40-41(39-23-11-22-37)38(26(3)4)27(5)6/h14,25-28,30-34H,10-13,15-21,23-24H2,1-9H3/t28-,30?,31+,32-,33+,34+,35+,36-,41?/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1[C@H]2C=C[C@@H]([C@H]1CO)O2
InChI: InChI=1S/C27H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-27(30)31-22-24-23(21-29)25-18-19-26(24)32-25/h18-19,23-26,29H,2-17,20-22H2,1H3,(H,28,30)/t23-,24+,25-,26+/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC4=NC=CC(=N4)C5=CC=CO5
InChI: InChI=1S/C22H22N4O5/c1-28-14-6-4-13(5-7-14)21(27)24-16-11-30-20-17(12-31-19(16)20)26-22-23-9-8-15(25-22)18-3-2-10-29-18/h2-10,16-17,19-20H,11-12H2,1H3,(H,24,27)(H,23,25,26)/t16-,17-,19+,20+/m0/s1
SMILES: CN1[C@@H]([C@@H]([C@H](O1)C(=O)OC)C(=O)OC)C2=CC(=O)OC3=CC=CC=C32
InChI: InChI=1S/C17H17NO7/c1-18-14(13(16(20)22-2)15(25-18)17(21)23-3)10-8-12(19)24-11-7-5-4-6-9(10)11/h4-8,13-15H,1-3H3/t13-,14+,15-/m0/s1
SMILES: C[C@H]1/C=C/C(=O)O[C@@H]([C@H]([C@H]2[C@H](O2)/C=C/C(=O)[C@@](CC[C@@H]1O)(C)O)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)C
InChI: InChI=1S/C27H42O11/c1-14-7-10-21(30)36-15(2)17(13-35-26-25(34-6)24(33-5)22(31)16(3)37-26)23-19(38-23)8-9-20(29)27(4,32)12-11-18(14)28/h7-10,14-19,22-26,28,31-32H,11-13H2,1-6H3/b9-8+,10-7+/t14-,15+,16+,17+,18-,19+,22+,23-,24+,25+,26+,27-/m0/s1
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C20H30N2O2/c1-12-18(15(4)23)13(2)21-19(12)20(24)14(3)22-10-9-16-7-5-6-8-17(16)11-22/h14,16-17,21H,5-11H2,1-4H3/p+1/t14-,16+,17-/m1/s1
SMILES: CCCCCCC(=O)NCC(=O)NC[C@@H]1[C@H]2CC[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O2
InChI: InChI=1S/C23H38N2O5/c1-2-3-4-8-11-21(26)25-16-22(27)24-15-18-17(19-13-14-20(18)30-19)10-7-5-6-9-12-23(28)29/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,27)(H,25,26)(H,28,29)/b7-5+/t17-,18+,19+,20-/m1/s1
SMILES: CC1(CC[C@@H]2[C@@H](C1)NC3=C(C2(C)C)C=CC=C3C(F)(F)F)C
InChI: InChI=1S/C18H24F3N/c1-16(2)9-8-11-14(10-16)22-15-12(17(11,3)4)6-5-7-13(15)18(19,20)21/h5-7,11,14,22H,8-10H2,1-4H3/t11-,14-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@@H]1CC[C@H]([C@H]2CC(=O)N3CCCCC3)O)(C)CO)OC(=O)NCC=C
InChI: InChI=1S/C24H40N2O5/c1-4-12-25-22(30)31-20-10-11-23(2)17(15-21(29)26-13-6-5-7-14-26)18(28)8-9-19(23)24(20,3)16-27/h4,17-20,27-28H,1,5-16H2,2-3H3,(H,25,30)/t17-,18-,19-,20-,23+,24+/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@H]4[C@H]1[C@]56[C@@H]2[C@H]3[C@@]5(C4)COC6
InChI: InChI=1S/C12H14O/c1-5-8-6-2-11-3-13-4-12(11,7(1)6)9(5)10(8)11/h5-10H,1-4H2/t5-,6-,7+,8-,9+,10+,11-,12-/m1/s1
SMILES: CCOC(=O)/C=C/O[C@@H]1CO[C@H](O[C@H]1CCC=O)C2=CC=CC=C2
InChI: InChI=1S/C18H22O6/c1-2-21-17(20)10-12-22-16-13-23-18(14-7-4-3-5-8-14)24-15(16)9-6-11-19/h3-5,7-8,10-12,15-16,18H,2,6,9,13H2,1H3/b12-10+/t15-,16+,18+/m0/s1
SMILES: CCCC1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C21H30N2O3/c1-2-5-16-8-10-17(11-9-16)22-12-14-23(15-13-22)20(24)18-6-3-4-7-19(18)21(25)26/h8-11,18-19H,2-7,12-15H2,1H3,(H,25,26)/t18-,19+/m1/s1
SMILES: CC[C@@H]1C[C@H]2C[C@H]3[C@@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)O
InChI: InChI=1S/C19H24N2O/c1-2-12-7-11-8-16-18-14(5-6-21(10-11)19(12)16)15-9-13(22)3-4-17(15)20-18/h3-4,9,11-12,16,19-20,22H,2,5-8,10H2,1H3/t11-,12+,16+,19+/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCSC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)OC
InChI: InChI=1S/C43H60N2O10S/c1-4-23-53-43-39(45(42(49)50-3)19-24-51-25-22-48)30-37(44-54-5-2)35-28-31(13-9-11-20-46)34(16-10-12-21-47)40(41(35)43)36-29-32(17-18-38(36)55-43)52-26-27-56-33-14-7-6-8-15-33/h4,6-8,14-15,17-18,28-29,31,34,39-41,46-48H,1,5,9-13,16,19-27,30H2,2-3H3/t31-,34+,39-,40+,41+,43+/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OC7=CC=CC(=C7)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C59H79FN2O10/c1-3-5-6-7-8-9-10-11-12-18-36-68-58(66)62(41-43-26-28-46(60)29-27-43)54-40-52(61-72-55-25-15-19-35-67-55)50-38-45(22-13-16-32-63)49(24-14-17-33-64)56-51-39-48(70-47-23-20-21-44(37-47)42-65)30-31-53(51)71-59(54,57(50)56)69-34-4-2/h4,20-21,23,26-31,37-39,42,45,49,54-57,63-64H,2-3,5-19,22,24-25,32-36,40-41H2,1H3/t45-,49+,54-,55?,56+,57+,59+/m0/s1
SMILES: CC12[C@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)F
InChI: InChI=1S/C25H17ClFNO2/c1-25-16-8-4-2-6-14(16)20(15-7-3-5-9-17(15)25)21-22(25)24(30)28(23(21)29)13-10-11-18(26)19(27)12-13/h2-12,20-22H,1H3/t20?,21-,22+,25?/m1/s1
SMILES: CCC(CC)C1=NN=C(S1)NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C16H25N3OS/c1-3-11(4-2)15-18-19-16(21-15)17-14(20)9-13-8-10-5-6-12(13)7-10/h10-13H,3-9H2,1-2H3,(H,17,19,20)/t10-,12+,13-/m0/s1
SMILES: C/C=C/1\C[C@H]([C@](C(=O)OCC2=CC[NH+]3[C@@H]2[C@H](CC3)OC1=O)(CO)O)C
InChI: InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/p+1/b12-3+/t11-,14+,15+,18+/m1/s1
SMILES: COC(=O)[C@H]1[C@@H]([C@H]([C@@H]1C2=C[NH+]=C(N2)N)CNC(=O)C3=CC(=CN3)Br)CNC(=O)C4=CC(=CN4)Br.C(=O)(C(F)(F)F)[O-]
InChI: InChI=1S/C21H23Br2N7O4.C2HF3O2/c1-34-20(33)17-12(7-28-19(32)14-3-10(23)5-26-14)11(16(17)15-8-29-21(24)30-15)6-27-18(31)13-2-9(22)4-25-13;3-2(4,5)1(6)7/h2-5,8,11-12,16-17,25-26H,6-7H2,1H3,(H,27,31)(H,28,32)(H3,24,29,30);(H,6,7)/t11-,12-,16-,17+;/m1./s1
SMILES: CN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)OC)(CCSC)C(=O)OC
InChI: InChI=1S/C19H24N2O5S/c1-21-16(22)13-14(17(21)23)19(9-10-27-4,18(24)26-3)20-15(13)11-5-7-12(25-2)8-6-11/h5-8,13-15,20H,9-10H2,1-4H3/t13-,14+,15-,19-/m1/s1
SMILES: C1=CC=C2C(=C1)NC(=O)[C@H]([S@@]2=O)C(=O)C(=O)NC3=CC(=CC=C3)O
InChI: InChI=1S/C16H12N2O5S/c19-10-5-3-4-9(8-10)17-15(21)13(20)14-16(22)18-11-6-1-2-7-12(11)24(14)23/h1-8,14,19H,(H,17,21)(H,18,22)/t14-,24-/m1/s1
SMILES: CCOC(=O)CN(CC(=O)OCC)C(=O)[C@@H]1[C@H](ON=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI: InChI=1S/C24H25ClN2O6/c1-3-31-19(28)14-27(15-20(29)32-4-2)24(30)21-22(16-10-12-18(25)13-11-16)26-33-23(21)17-8-6-5-7-9-17/h5-13,21,23H,3-4,14-15H2,1-2H3/t21-,23+/m0/s1
SMILES: CC(C)C1=CC(=C(C=C1)OC)CN[C@H]2[C@H]3CCN([C@H]2C(C4=CC=CC=C4)C5=CC=CC=C5)C[C@@H]3C(=O)NC(C)C(=O)N
InChI: InChI=1S/C35H44N4O3/c1-22(2)26-15-16-30(42-4)27(19-26)20-37-32-28-17-18-39(21-29(28)35(41)38-23(3)34(36)40)33(32)31(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-16,19,22-23,28-29,31-33,37H,17-18,20-21H2,1-4H3,(H2,36,40)(H,38,41)/t23?,28-,29-,32-,33-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CN2CC3=CC=CC=C3)([C@@H]4[C@@]1(C(=O)[C@@H](C5=C(C(=O)C[C@@]6([C@H]4OC(=O)O6)C5(C)C)C)O[Si](CC)(CC)CC)C)O
InChI: InChI=1S/C40H61NO8Si2/c1-11-50(12-2,13-3)48-30-22-29-39(45,25-41(29)24-27-20-18-17-19-21-27)33-35-40(47-36(44)46-35)23-28(42)26(7)31(37(40,8)9)32(34(43)38(30,33)10)49-51(14-4,15-5)16-6/h17-21,29-30,32-33,35,45H,11-16,22-25H2,1-10H3/t29-,30+,32-,33+,35+,38-,39+,40-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(O)OC6=CC(=CC(=C6)Cl)Cl
InChI: InChI=1S/C37H35Cl2N2O10P/c1-23-21-41(36(43)40-35(23)42)34-20-32(51-52(44,45)50-31-18-27(38)17-28(39)19-31)33(49-34)22-48-37(24-7-5-4-6-8-24,25-9-13-29(46-2)14-10-25)26-11-15-30(47-3)16-12-26/h4-19,21,32-34H,20,22H2,1-3H3,(H,44,45)(H,40,42,43)/t32-,33+,34+/m0/s1
SMILES: C[C@H]1[C@@H]2CC(=O)[C@H]1[C@H]3[C@@]2(C=C[C@H]3/C(=C\CC=C(C)C)/C)C=O
InChI: InChI=1S/C20H26O2/c1-12(2)6-5-7-13(3)15-8-9-20(11-21)16-10-17(22)18(14(16)4)19(15)20/h6-9,11,14-16,18-19H,5,10H2,1-4H3/b13-7-/t14-,15-,16-,18-,19-,20-/m0/s1
SMILES: CN1CCN(CC1)CC(=O)N2[C@@H]([C@H]3CCC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H27FN4O/c1-27-12-14-28(15-13-27)16-22(30)29-24(18-6-9-19(25)10-7-18)21-11-8-17-4-2-3-5-20(17)23(21)26-29/h2-7,9-10,21,24H,8,11-16H2,1H3/t21-,24+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(C[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)C[C@@]4(CC[C@@H]5[C@@]4(CCC=C(CC[C@@H](CC6=CC(=C5C=C6)C(=O)C7=CC=CC=C7)O)C)C)O)C(C)C
InChI: InChI=1S/C50H71NO5/c1-32(2)40-21-16-34(4)26-45(40)56-47(54)51(30-37-18-19-38-29-44(37)48(38,5)6)31-50(55)25-23-43-41-22-17-35(28-42(41)46(53)36-13-9-8-10-14-36)27-39(52)20-15-33(3)12-11-24-49(43,50)7/h8-10,12-14,17,22,28,32,34,37-40,43-45,52,55H,11,15-16,18-21,23-27,29-31H2,1-7H3/t34-,37-,38-,39-,40+,43-,44-,45-,49-,50+/m0/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC(=C3)C=CC4CCC5C(C4)O5)OC6(O2)CC7=CC=CC=C7C6)O
InChI: InChI=1S/C44H54N2O11/c1-25(48)38(41(51)45-32(24-47)15-17-37(49)56-43(2,3)4)46-40(50)31-20-35(39-36(21-31)55-44(57-39)22-29-9-5-6-10-30(29)23-44)54-42(52)28-11-7-8-26(18-28)12-13-27-14-16-33-34(19-27)53-33/h5-13,18,21,25,27,32-36,38-39,47-48H,14-17,19-20,22-24H2,1-4H3,(H,45,51)(H,46,50)/t25-,27?,32-,33?,34?,35+,36+,38+,39-/m0/s1
SMILES: CN1C(=O)N([C@]2([C@]1(NN3C(=O)/C(=C/C4=CC=C(C=C4)OC)/SC3=N2)C5=CC=CC=C5)C6=CC=CC=C6)C
InChI: InChI=1S/C28H25N5O3S/c1-31-26(35)32(2)28(21-12-8-5-9-13-21)27(31,20-10-6-4-7-11-20)29-25-33(30-28)24(34)23(37-25)18-19-14-16-22(36-3)17-15-19/h4-18,30H,1-3H3/b23-18-/t27-,28-/m0/s1
SMILES: C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C28H44O4/c1-18(8-11-22(17-29)27(3,4)32)24-12-13-25-20(7-6-14-28(24,25)5)9-10-21-15-23(30)16-26(31)19(21)2/h8-11,18,22-26,29-32H,2,6-7,12-17H2,1,3-5H3/b11-8+,20-9+,21-10+/t18-,22-,23-,24-,25+,26+,28-/m1/s1
SMILES: CC[C@@H](C)N1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)Cl)NC3=O)CCC(=O)[O-]
InChI: InChI=1S/C20H22ClN3O5/c1-3-9(2)24-17(27)15-13(6-7-14(25)26)23-20(16(15)18(24)28)11-8-10(21)4-5-12(11)22-19(20)29/h4-5,8-9,13,15-16,23H,3,6-7H2,1-2H3,(H,22,29)(H,25,26)/t9-,13-,15-,16+,20-/m1/s1
SMILES: CCOC(=O)C1=NN([C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C
InChI: InChI=1S/C21H18ClN3O4/c1-3-29-21(28)17-16-18(25(23-17)15-8-4-12(2)5-9-15)20(27)24(19(16)26)14-10-6-13(22)7-11-14/h4-11,16,18H,3H2,1-2H3/t16-,18-/m0/s1
SMILES: COCCOCO[C@H]1[C@H](N(C(=O)N([C@@H]([C@@H]1OCOCCOC)CC2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)F)CC6=CC=CC=C6
InChI: InChI=1S/C45H51FN2O7/c1-50-23-25-52-32-54-43-41(28-34-11-5-3-6-12-34)47(30-36-18-21-40(46)22-19-36)45(49)48(31-37-17-20-38-15-9-10-16-39(38)27-37)42(29-35-13-7-4-8-14-35)44(43)55-33-53-26-24-51-2/h3-22,27,41-44H,23-26,28-33H2,1-2H3/t41-,42-,43+,44+/m1/s1
SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3CN(C[C@@H]3NS(=O)(=O)C(C)C)C
InChI: InChI=1S/C21H28N2O2S/c1-15(2)26(24,25)22-21-14-23(4)13-20(21)19-11-9-18(10-12-19)17-7-5-16(3)6-8-17/h5-12,15,20-22H,13-14H2,1-4H3/t20-,21+/m1/s1
SMILES: C1[C@@H]([C@@H](OC1=O)CN=[N+]=[N-])[C@H](COC(=O)C2=CC=CC=C2)O
InChI: InChI=1S/C14H15N3O5/c15-17-16-7-12-10(6-13(19)22-12)11(18)8-21-14(20)9-4-2-1-3-5-9/h1-5,10-12,18H,6-8H2/t10-,11+,12+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl
InChI: InChI=1S/C13H12ClF3N2O3/c1-6-2-8(6)12(21)22-5-10(20)19-11-9(14)3-7(4-18-11)13(15,16)17/h3-4,6,8H,2,5H2,1H3,(H,18,19,20)/t6-,8+/m1/s1
SMILES: CCCCCOC(=O)NCC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(C(=O)[C@]4(C(=O)C3C(=O)C2=C1O)O)C(=O)N)N(C)C)N(C)C
InChI: InChI=1S/C30H40N4O9/c1-6-7-8-9-43-29(41)32-13-15-12-18(33(2)3)16-10-14-11-17-22(34(4)5)25(37)21(28(31)40)27(39)30(17,42)26(38)19(14)24(36)20(16)23(15)35/h12,14,17,19,21-22,35,42H,6-11,13H2,1-5H3,(H2,31,40)(H,32,41)/t14-,17-,19?,21?,22-,30-/m0/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)COC)(C)C)O)C)O)C=C
InChI: InChI=1S/C23H36O8/c1-8-20(4)11-14(25)23(28)21(5)13(24)9-10-19(2,3)17(21)16(30-15(26)12-29-7)18(27)22(23,6)31-20/h8,13,16-18,24,27-28H,1,9-12H2,2-7H3/t13-,16-,17-,18-,20-,21-,22+,23-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H](C(O2)(COS(=O)(=O)C)COS(=O)(=O)C)OCC3=CC=CC=C3)N=[N+]=[N-]
InChI: InChI=1S/C20H25N5O10S2/c1-13-9-25(19(27)22-17(13)26)18-15(23-24-21)16(32-10-14-7-5-4-6-8-14)20(35-18,11-33-36(2,28)29)12-34-37(3,30)31/h4-9,15-16,18H,10-12H2,1-3H3,(H,22,26,27)/t15-,16+,18-/m0/s1
SMILES: C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C)C)O)O)O
InChI: InChI=1S/C33H56O5/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(38-31-30(36)29(35)28(34)21(4)37-31)14-16-32(22,5)27(24)15-17-33(25,26)6/h10,19-21,23-31,34-36H,7-9,11-18H2,1-6H3/t20-,21+,23?,24?,25-,26?,27?,28+,29+,30-,31+,32+,33-/m1/s1
SMILES: COC1=CC=CC2=C1OC(=C2)C(=O)N(CCC3=CC(=CC=C3)F)[C@@H]4C=C([C@H]5[C@@H]([C@H]4O)OC6=C5C=C(C=C6OC)CO)C(=O)NCCO
InChI: InChI=1S/C35H35FN2O9/c1-44-26-8-4-6-21-16-28(46-31(21)26)35(43)38(11-9-19-5-3-7-22(36)13-19)25-17-24(34(42)37-10-12-39)29-23-14-20(18-40)15-27(45-2)32(23)47-33(29)30(25)41/h3-8,13-17,25,29-30,33,39-41H,9-12,18H2,1-2H3,(H,37,42)/t25-,29+,30+,33+/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@H]3CCCN4[C@@]3(C1)[C@H](CCC4)[C@@H]([C@H]2OC(=O)C)OC(=O)CCC5=CC(=C(C=C5)O)OC
InChI: InChI=1S/C28H39NO6/c1-17-14-20-21-6-4-12-29-13-5-7-22(28(21,29)16-17)27(26(20)34-18(2)30)35-25(32)11-9-19-8-10-23(31)24(15-19)33-3/h8,10,15,17,20-22,26-27,31H,4-7,9,11-14,16H2,1-3H3/t17-,20-,21-,22-,26+,27+,28-/m1/s1
SMILES: CCN1[C@H]2[C@H](C(=C(O2)C)C(=O)C)N(C3=CC=CC=C31)C(=O)C
InChI: InChI=1S/C17H20N2O3/c1-5-18-13-8-6-7-9-14(13)19(12(4)21)16-15(10(2)20)11(3)22-17(16)18/h6-9,16-17H,5H2,1-4H3/t16-,17+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@]23NN=C4N(N3)C5=NN(C(C5S4)C6=CC=C(C=C6)OC)C7=C(C=C(C=C7)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C27H30N8O5S/c1-25(2)16-11-12-26(25,3)27(14-16)30-28-24-33(31-27)23-22(41-24)21(15-5-8-18(40-4)9-6-15)32(29-23)19-10-7-17(34(36)37)13-20(19)35(38)39/h5-10,13,16,21-22,30-31H,11-12,14H2,1-4H3/t16-,21?,22?,26-,27-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C25H38N2O4/c1-16(2)22(27-23(29)18-11-13-19(14-12-18)25(4,5)6)24(30)31-15-21(28)26-20-10-8-7-9-17(20)3/h11-14,16-17,20,22H,7-10,15H2,1-6H3,(H,26,28)(H,27,29)/t17-,20+,22+/m1/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=C(C=C(C=C4)O)Cl)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC(=C(C=C6)C(=O)O)O
InChI: InChI=1S/C29H19BrClNO8/c30-19-10-22(35)25-18(26(19)36)9-17-13(23(25)14-4-2-12(33)8-20(14)31)5-6-16-24(17)28(38)32(27(16)37)11-1-3-15(29(39)40)21(34)7-11/h1-5,7-8,10,16-17,23-24,33-34H,6,9H2,(H,39,40)/t16-,17+,23+,24-/m0/s1