EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H]([C@H](O[C@]12CCC[C@@H]2O[Si](C)(C)C(C)(C)C)N3C=C(C(=O)NC3=O)C)I
InChI: InChI=1S/C25H45IN2O5Si2/c1-10-35(11-2,12-3)33-20-19(26)22(28-16-17(4)21(29)27-23(28)30)31-25(20)15-13-14-18(25)32-34(8,9)24(5,6)7/h16,18-20,22H,10-15H2,1-9H3,(H,27,29,30)/t18-,19+,20-,22-,25-/m0/s1
SMILES: COC(=O)[C@H]1[C@@H](C(=C(SC1=N)N)C#N)C2=CC=C(C=C2)F
InChI: InChI=1S/C14H12FN3O2S/c1-20-14(19)11-10(7-2-4-8(15)5-3-7)9(6-16)12(17)21-13(11)18/h2-5,10-11,18H,17H2,1H3/t10-,11+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C4=C3N=CN=C4N(C)N)C#N)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C29H28N6O5/c1-17-4-8-19(9-5-17)28(36)38-15-23-22(40-29(37)20-10-6-18(2)7-11-20)12-24(39-23)35-14-21(13-30)25-26(34(3)31)32-16-33-27(25)35/h4-11,14,16,22-24H,12,15,31H2,1-3H3/t22-,23+,24+/m0/s1
SMILES: COC(=O)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC(=CC=C3)F)C(=O)N(C2=O)C4=CC=CC=C4)CO
InChI: InChI=1S/C21H19FN2O5/c1-29-20(28)21(11-25)16-15(17(23-21)12-6-5-7-13(22)10-12)18(26)24(19(16)27)14-8-3-2-4-9-14/h2-10,15-17,23,25H,11H2,1H3/p+1/t15-,16+,17-,21+/m0/s1
SMILES: COC1=CC(=CC(=C1)C2=C3CCC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC(=CC(=C7)OC)OC)[C@H]([C@H]5O)O)C8=CC(=CC(=C8)OC)OC)N4)C9=CC(=CC(=C9)OC)OC)OC
InChI: InChI=1S/C52H50N4O10/c1-59-31-15-27(16-32(23-31)60-2)45-39-9-10-40(53-39)46(28-17-33(61-3)24-34(18-28)62-4)42-12-14-44(55-42)48(30-21-37(65-7)26-38(22-30)66-8)50-52(58)51(57)49(56-50)47(43-13-11-41(45)54-43)29-19-35(63-5)25-36(20-29)64-6/h11-26,51-52,54-55,57-58H,9-10H2,1-8H3/t51-,52+
SMILES: CC1=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=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC(=C(C=C7)C(=O)O)O)O
InChI: InChI=1S/C34H25Cl2FN2O8/c1-15-12-16(2-11-24(15)40)27-20-9-10-22-26(29(43)38(28(22)42)19-7-8-21(30(44)45)25(41)13-19)23(20)14-33(35)31(46)39(32(47)34(27,33)36)18-5-3-17(37)4-6-18/h2-9,11-13,22-23,26-27,40-41H,10,14H2,1H3,(H,44,45)/t22-,23+,26-,27-,33+,34-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]3[C@H]2[C@H](CC=C3O[Si](C(C)C)(C(C)C)C(C)C)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C31H43NO5SSi/c1-20(2)39(21(3)4,22(5)6)37-28-15-13-26(24-10-14-29-30(18-24)36-19-35-29)31-27(28)16-17-32(31)38(33,34)25-11-8-23(7)9-12-25/h8-12,14-15,18,20-22,26-27,31H,13,16-17,19H2,1-7H3/t26-,27+,31-/m1/s1
SMILES: CC1C[C@@H]([C@@H](O1)[C@@H]([C@@H]2COC(O2)(C)C)OCC3=CC=CC=C3)OC(=S)S
InChI: InChI=1S/C19H26O5S2/c1-12-9-14(23-18(25)26)17(22-12)16(15-11-21-19(2,3)24-15)20-10-13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3,(H,25,26)/t12?,14-,15-,16+,17+/m0/s1
SMILES: CN(C)CCCNC(=O)[C@@H]1C[C@H]2[C@@H](CC3=CN(C4=CC=CC2=C34)[Si](C)(C)C)N(C1)CC=C
InChI: InChI=1S/C26H40N4OSi/c1-7-13-29-17-20(26(31)27-12-9-14-28(2)3)15-22-21-10-8-11-23-25(21)19(16-24(22)29)18-30(23)32(4,5)6/h7-8,10-11,18,20,22,24H,1,9,12-17H2,2-6H3,(H,27,31)/t20-,22-,24-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC4=C(C=C3)N=C(S4)N)CC5=CC6=C(C=C5)N=C(S6)N)CC7=CC=CC=C7)O)O
InChI: InChI=1S/C35H34N6O3S2/c36-33-38-25-13-11-23(17-29(25)45-33)19-40-27(15-21-7-3-1-4-8-21)31(42)32(43)28(16-22-9-5-2-6-10-22)41(35(40)44)20-24-12-14-26-30(18-24)46-34(37)39-26/h1-14,17-18,27-28,31-32,42-43H,15-16,19-20H2,(H2,36,38)(H2,37,39)/t27-,28-,31+,32+/m1/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]2C[C@]23C1=C(C(=O)C4=CC=CC=C34)Br
InChI: InChI=1S/C18H18BrNO3/c1-17(2,3)23-16(22)20-9-10-8-18(10)12-7-5-4-6-11(12)14(21)13(19)15(18)20/h4-7,10H,8-9H2,1-3H3/t10-,18-/m0/s1
SMILES: C1CC[C@@H]2C[NH+](CC[C@H]2C1)CC(=O)NNC(=O)C3=CC=CC=C3Br
InChI: InChI=1S/C18H24BrN3O2/c19-16-8-4-3-7-15(16)18(24)21-20-17(23)12-22-10-9-13-5-1-2-6-14(13)11-22/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,20,23)(H,21,24)/p+1/t13-,14-/m1/s1
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC)O
InChI: InChI=1S/C27H31NO10/c1-4-27(36)9-14(38-15-8-12(28-3)21(30)10(2)37-15)17-20(26(27)35)25(34)18-19(24(17)33)23(32)16-11(22(18)31)6-5-7-13(16)29/h5-7,10,12,14-15,21,26,28-30,33-36H,4,8-9H2,1-3H3/t10-,12-,14-,15-,21+,26+,27+/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C20H23NO/c22-20(18-10-9-15-5-1-3-7-17(15)13-18)21-12-11-16-6-2-4-8-19(16)14-21/h1,3,5,7,9-10,13,16,19H,2,4,6,8,11-12,14H2/t16-,19+/m0/s1
SMILES: C[C@H]1CC2(C[C@@H]([C@H]3[C@@H](O2)C[C@H](O3)COCC4=CC=CC=C4)C)O[C@@H]5[C@H]1O[C@@H](C5)COCC6=CC=CC=C6
InChI: InChI=1S/C31H40O6/c1-21-15-31(36-27-13-25(34-29(21)27)19-32-17-23-9-5-3-6-10-23)16-22(2)30-28(37-31)14-26(35-30)20-33-18-24-11-7-4-8-12-24/h3-12,21-22,25-30H,13-20H2,1-2H3/t21-,22-,25-,26-,27-,28-,29-,30-,31?/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCC(C(=O)OC)C(=O)OC)[C@@]4(C2=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC[C@@H](C9=CC=CC=C9)O
InChI: InChI=1S/C58H52N4O11/c1-35(37-18-8-4-9-19-37)60-57(70)61-45-32-27-36(17-16-26-43(53(66)71-2)54(67)72-3)33-44(45)58(56(61)69)47(52(65)59-34-46(64)38-20-10-5-11-21-38)49-55(68)73-50(40-24-14-7-15-25-40)48(39-22-12-6-13-23-39)62(49)51(58)41-28-30-42(63)31-29-41/h4-15,18-25,27-33,35,43,46-51,63-64H,26,34H2,1-3H3,(H,59,65)(H,60,70)/t35-,46+,47-,48-,49-,50+,51+,58-/m1/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1[C@H](CC3=CC(=C(C=C23)OC)OC)C#N)(C)C)SC4=CC=CC=C4
InChI: InChI=1S/C26H31NO2S/c1-25(2)23(30-19-9-7-6-8-10-19)11-12-26(3)20-15-22(29-5)21(28-4)14-17(20)13-18(16-27)24(25)26/h6-10,14-15,18,23-24H,11-13H2,1-5H3/t18-,23+,24+,26-/m1/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O1)N=[N+]=[N-])OCC3=CC=C(C=C3)OC)CO)C
InChI: InChI=1S/C17H23N3O6/c1-17(2)25-14-12(8-21)24-16(13(19-20-18)15(14)26-17)23-9-10-4-6-11(22-3)7-5-10/h4-7,12-16,21H,8-9H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(=O)C3CC4=CC=CC=C4OC3=O)OCC5=CC=CC=C5)C
InChI: InChI=1S/C24H24O7/c1-24(2)30-21-20(27-13-14-8-4-3-5-9-14)19(29-23(21)31-24)18(25)16-12-15-10-6-7-11-17(15)28-22(16)26/h3-11,16,19-21,23H,12-13H2,1-2H3/t16?,19-,20+,21-,23-/m1/s1
SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2[C@@H]3CC[C@H](N2)[C@H](C3)O)C#N
InChI: InChI=1S/C13H19N3O2/c14-7-9-2-1-5-16(9)13(18)12-8-3-4-10(15-12)11(17)6-8/h8-12,15,17H,1-6H2/t8-,9+,10+,11+,12+/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)COC3=CC=C(C=C3)F
InChI: InChI=1S/C17H17FN2O3/c1-11-8-15(11)16-7-6-14(23-16)9-19-20-17(21)10-22-13-4-2-12(18)3-5-13/h2-7,9,11,15H,8,10H2,1H3,(H,20,21)/b19-9-/t11-,15-/m0/s1
SMILES: CCOC(=O)NN=C1C[C@H]([C@H]([C@H]2[C@H]1CC[C@@H]3[C@H]2C(=O)N(C3=O)[C@@H](C)C4=CC=CC=C4)O)O
InChI: InChI=1S/C23H29N3O6/c1-3-32-23(31)25-24-16-11-17(27)20(28)18-14(16)9-10-15-19(18)22(30)26(21(15)29)12(2)13-7-5-4-6-8-13/h4-8,12,14-15,17-20,27-28H,3,9-11H2,1-2H3,(H,25,31)/t12-,14-,15+,17+,18-,19+,20+/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC2F)CCC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OCCN6CCCCC6
InChI: InChI=1S/C31H40FNO2/c1-31-20-27(21-5-9-24(10-6-21)35-18-17-33-15-3-2-4-16-33)30-25-12-8-23(34)19-22(25)7-11-26(30)28(31)13-14-29(31)32/h5-6,8-10,12,19,26-30,34H,2-4,7,11,13-18,20H2,1H3/t26-,27+,28-,29?,30+,31-/m0/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(=S)(OC)OC
InChI: InChI=1S/C33H37N2O9PS/c1-22-20-35(32(37)34-31(22)36)30-19-28(44-45(46,40-4)41-5)29(43-30)21-42-33(23-9-7-6-8-10-23,24-11-15-26(38-2)16-12-24)25-13-17-27(39-3)18-14-25/h6-18,20,28-30H,19,21H2,1-5H3,(H,34,36,37)/t28-,29+,30+/m0/s1
SMILES: B1(OC[C@@H](O1)[C@@H]2[C@H](OB(O2)CC)[C@H]3COB(O3)CC)CC
InChI: InChI=1S/C12H23B3O6/c1-4-13-16-7-9(18-13)11-12(21-15(6-3)20-11)10-8-17-14(5-2)19-10/h9-12H,4-8H2,1-3H3/t9-,10-,11-,12-/m1/s1
SMILES: CC1=C(C(=O)[C@]2([C@H](C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@]2(C1=O)C)CCC5=NC6=CC(=C(C=C6N(C5=O)C)OC)OC)C7=C(C=C(C=C7OC)OC)O)C)C
InChI: InChI=1S/C39H43N5O10/c1-19-20(2)34(47)39(4)32(31-27(45)14-21(51-6)15-30(31)54-9)22-10-13-43-36(49)42(37(50)44(43)26(22)18-38(39,3)33(19)46)12-11-23-35(48)41(5)25-17-29(53-8)28(52-7)16-24(25)40-23/h10,14-17,26,32,45H,11-13,18H2,1-9H3/t26-,32-,38+,39-/m1/s1
SMILES: CC(C)N1C(=O)N(CC12CC3CCC(C2)N3C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)CC6CC6)C
InChI: InChI=1S/C29H42N4O2/c1-20(2)33-28(35)30(3)19-29(33)14-24-11-12-25(15-29)32(24)17-23-16-31(27(34)13-21-9-10-21)18-26(23)22-7-5-4-6-8-22/h4-8,20-21,23-26H,9-19H2,1-3H3/t23-,24?,25?,26-,29?/m1/s1
SMILES: CC(=O)[C@H]1CC[C@]2([C@@]1([C@@H](CC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)OC(=O)C5=CN=CC=C5)C)O
InChI: InChI=1S/C27H35NO5/c1-16(29)20-9-11-27(32)21-7-6-18-13-19(30)8-10-25(18,2)22(21)14-23(26(20,27)3)33-24(31)17-5-4-12-28-15-17/h4-6,12,15,19-23,30,32H,7-11,13-14H2,1-3H3/t19-,20+,21?,22?,23+,25-,26-,27-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=C(C=C(C=C3)C)C
InChI: InChI=1S/C22H31N5O2S/c1-14-9-10-18(16(3)11-14)23-20(28)12-19-25-26-22(27(19)4)30-13-21(29)24-17-8-6-5-7-15(17)2/h9-11,15,17H,5-8,12-13H2,1-4H3,(H,23,28)(H,24,29)/t15-,17-/m1/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-/m0/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)CN)OCCCCCCNC(=O)[C@@H](CC3=CN=CN3)N)O)N)OCCCCCCNC(=O)[C@@H](CC4=CN=CN4)N)O)N
InChI: InChI=1S/C36H66N12O8/c37-16-27-32(53-11-7-3-1-5-9-45-34(51)25(40)13-21-17-43-19-47-21)30(50)28(42)36(55-27)56-31-24(39)15-23(38)29(49)33(31)54-12-8-4-2-6-10-46-35(52)26(41)14-22-18-44-20-48-22/h17-20,23-33,36,49-50H,1-16,37-42H2,(H,43,47)(H,44,48)(H,45,51)(H,46,52)/t23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,36-/m1/s1
SMILES: [H][C@]1(C(=O)[C@@H]([C@H]([C@@H]([C@@]1(CO)O)O)O)O)[2H]
InChI: InChI=1S/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5+,6-,7+/m0/s1/i1D/t1-,4+,5-,6+,7-/m1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCC[C@@H](C3=C(N2C1=O)C(=O)OCC=C)SC[C@@H]4CCN(C4)C(=O)OCC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H48N2O6SSi/c1-9-16-37-29(35)27-25-22(26-24(28(34)33(26)27)20(3)39-41(7,8)31(4,5)6)12-11-13-23(25)40-19-21-14-15-32(18-21)30(36)38-17-10-2/h9-10,20-24,26H,1-2,11-19H2,3-8H3/t20-,21-,22+,23+,24-,26-/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)NC(=O)NCC4=CC=CC=C4)CN5CCCCC5
InChI: InChI=1S/C32H39N3O4/c1-23-29(21-35-18-6-3-7-19-35)38-31(39-30(23)26-12-10-25(22-36)11-13-26)27-14-16-28(17-15-27)34-32(37)33-20-24-8-4-2-5-9-24/h2,4-5,8-17,23,29-31,36H,3,6-7,18-22H2,1H3,(H2,33,34,37)/t23-,29+,30+,31+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22-,23+,24+,25-,26+,27-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H29N3O3S/c1-16-7-5-6-10-18(16)20-19(23)15-21-11-13-22(14-12-21)26(24,25)17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3,(H,20,23)/t16-,18-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)COC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H27NO4/c27-23(26-16-6-10-18-7-4-5-11-22(18)26)17-30-25(29)21-14-12-20(13-15-21)24(28)19-8-2-1-3-9-19/h1-3,8-9,12-15,18,22H,4-7,10-11,16-17H2/t18-,22+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC
InChI: InChI=1S/C24H29NO6/c1-14-5-4-6-20(15(14)2)25-12-16(9-22(25)26)24(28)30-13-17-10-23(27)31-21-11-18(29-3)7-8-19(17)21/h7-8,10-11,14-16,20H,4-6,9,12-13H2,1-3H3/t14-,15+,16+,20-/m0/s1
SMILES: CCCCC[C@H]([C@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](/C(=C\C=C/C=C\C=C/C=C\[C@@H]([C@@H](OC1=O)C)O)/C)O)O)O)O)O)O)O)O
InChI: InChI=1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6-,10-8-,12-9-,15-13-,23-14-/t24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34-/m0/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)[C@@H]2[C@H](NC(=S)NC2=C)C3=C(C=C(C=C3)OC)OC)C
InChI: InChI=1S/C22H25N3O3S/c1-12-7-6-8-17(13(12)2)24-21(26)19-14(3)23-22(29)25-20(19)16-10-9-15(27-4)11-18(16)28-5/h6-11,19-20H,3H2,1-2,4-5H3,(H,24,26)(H2,23,25,29)/t19-,20+/m0/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)F)NC3=O)CC(C)C
InChI: InChI=1S/C21H26FN3O3/c1-5-11(4)25-18(26)16-15(8-10(2)3)24-21(17(16)19(25)27)13-9-12(22)6-7-14(13)23-20(21)28/h6-7,9-11,15-17,24H,5,8H2,1-4H3,(H,23,28)/p+1/t11-,15-,16-,17+,21-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)OC)ON2C5=CC=C(C=C5)Cl
InChI: InChI=1S/C26H24ClN3O4/c1-28(2)18-8-4-16(5-9-18)23-22-24(34-30(23)20-10-6-17(27)7-11-20)26(32)29(25(22)31)19-12-14-21(33-3)15-13-19/h4-15,22-24H,1-3H3/t22-,23-,24+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl
InChI: InChI=1S/C18H28ClN3OS/c1-14-4-2-3-5-16(14)20-18(23)13-22-10-8-21(9-11-22)12-15-6-7-17(19)24-15/h6-7,14,16H,2-5,8-13H2,1H3,(H,20,23)/p+2/t14-,16+/m1/s1
SMILES: C=CC(=O)NCCCCCC(=O)NC1=CC=C(C=C1)COC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N
InChI: InChI=1S/C22H33N3O7/c1-2-17(27)24-11-5-3-4-6-18(28)25-15-9-7-14(8-10-15)13-31-22-19(23)21(30)20(29)16(12-26)32-22/h2,7-10,16,19-22,26,29-30H,1,3-6,11-13,23H2,(H,24,27)(H,25,28)/t16-,19-,20-,21-,22?/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)N(C)CC(=O)NC3=CC=CC=C3SC
InChI: InChI=1S/C23H33N3O3S/c1-15-8-7-10-19(16(15)2)26-13-17(12-22(26)28)23(29)25(3)14-21(27)24-18-9-5-6-11-20(18)30-4/h5-6,9,11,15-17,19H,7-8,10,12-14H2,1-4H3,(H,24,27)/t15-,16+,17+,19+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C18H22N2O3/c21-16(19-12-13-6-2-1-3-7-13)10-11-20-17(22)14-8-4-5-9-15(14)18(20)23/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,21)/t14-,15-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC7=CC=CC=C76)S(=O)(=O)C)O)C(=C5)C(=O)C8=CC(=CC=C8)C(F)(F)F)O)C
InChI: InChI=1S/C42H46F3NO5S/c1-37-17-14-31(47)23-39(37)20-21-41(33(24-39)36(48)28-10-7-12-30(22-28)42(43,44)45)34(37)15-18-38(2)35(41)16-19-40(38,49)26-46(52(3,50)51)25-29-11-6-9-27-8-4-5-13-32(27)29/h4-13,20-22,24,31,34-35,47,49H,14-19,23,25-26H2,1-3H3/t31?,34-,35-,37-,38+,39+,40-,41-/m1/s1
SMILES: CCCCCC[C@@]1(C(=O)N(C(=O)N1)CC(=O)N[C@H]2CCCC[C@@H]2C)C
InChI: InChI=1S/C19H33N3O3/c1-4-5-6-9-12-19(3)17(24)22(18(25)21-19)13-16(23)20-15-11-8-7-10-14(15)2/h14-15H,4-13H2,1-3H3,(H,20,23)(H,21,25)/t14-,15-,19+/m0/s1
SMILES: CCOC(=O)[C@]1([C@H](N1C(=O)OCC2=CC=CC=C2)C#N)C(F)(F)F
InChI: InChI=1S/C15H13F3N2O4/c1-2-23-12(21)14(15(16,17)18)11(8-19)20(14)13(22)24-9-10-6-4-3-5-7-10/h3-7,11H,2,9H2,1H3/t11-,14-,20?/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC(=CC=C2)F)C(=O)[O-]
InChI: InChI=1S/C14H16FNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)/p-1/t11-,12+/m1/s1
SMILES: CC[C@H](C)[C@@H]1[C@H]([C@H](C[C@@]2(O1)C[C@H](C[C@H](O2)C/C=C(\C)/C=O)OC(=O)[C@@H]3C=C([C@H](C4C3=C(CO4)/C=C/C=C\C)O[Si](C)(C)C(C)(C)C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C46H76O8Si2/c1-17-19-20-21-34-29-49-42-39(34)37(24-32(5)41(42)54-56(15,16)45(10,11)12)43(48)50-36-25-35(23-22-30(3)28-47)51-46(26-36)27-38(53-55(13,14)44(7,8)9)33(6)40(52-46)31(4)18-2/h17,19-22,24,28,31,33,35-38,40-42H,18,23,25-27,29H2,1-16H3/b19-17-,21-20+,30-22+/t31-,33-,35+,36-,37+,38-,40+,41+,42?,46-/m0/s1
SMILES: C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C25H31NO5/c27-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-31-23(28)14-15-26-24(29)20-8-4-5-9-21(20)25(26)30/h10-13,17,20-21H,1-9,14-16H2/t20-,21-/m0/s1
SMILES: CC1(NC(C(=O)N1[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)C4=CC=CC=C4)C
InChI: InChI=1S/C18H18ClN3O4S/c1-18(2)20-11(9-6-4-3-5-7-9)14(23)22(18)13-15(24)21-12(17(25)26)10(19)8-27-16(13)21/h3-7,11,13,16,20H,8H2,1-2H3,(H,25,26)/t11?,13-,16-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C33H28N2O9/c1-16-12-25(36)28-21(9-4-17-13-26(43-2)31(38)27(14-17)44-3)20-10-11-22-29(23(20)15-24(28)30(16)37)33(40)34(32(22)39)18-5-7-19(8-6-18)35(41)42/h4-10,12-14,21-23,29,38H,11,15H2,1-3H3/t21-,22-,23+,29-/m0/s1
SMILES: CCCC[C@@H]1C[C@@H]2[C@@H]([C@H](C[C@H]1N2C)CC3=CC=CC=C3)CC(=O)OC
InChI: InChI=1S/C22H33NO2/c1-4-5-11-17-13-21-19(15-22(24)25-3)18(14-20(17)23(21)2)12-16-9-7-6-8-10-16/h6-10,17-21H,4-5,11-15H2,1-3H3/t17-,18+,19-,20-,21-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@H](COCC6=CC=CC=C6)O)CC78CC9CC(C7)CC(C9)C8)O)C(=C5)C(=O)C1=CC=CO1)O)C
InChI: InChI=1S/C48H63NO6/c1-43-13-10-36(50)25-46(43)16-17-48(38(26-46)42(52)39-9-6-18-55-39)40(43)11-14-44(2)41(48)12-15-47(44,53)31-49(27-37(51)29-54-28-32-7-4-3-5-8-32)30-45-22-33-19-34(23-45)21-35(20-33)24-45/h3-9,16-18,26,33-37,40-41,50-51,53H,10-15,19-25,27-31H2,1-2H3/t33?,34?,35?,36?,37-,40-,41-,43-,44+,45?,46+,47-,48-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)O[C@@H]([C@@]2(C/C=C/C=C)OCC3=CC=CC=C3)C=O)C
InChI: InChI=1S/C20H24O5/c1-4-5-9-12-20(22-14-15-10-7-6-8-11-15)16(13-21)23-18-17(20)24-19(2,3)25-18/h4-11,13,16-18H,1,12,14H2,2-3H3/b9-5+/t16-,17+,18-,20-/m1/s1
SMILES: COC[C@]12[C@H]([C@@H]([C@](O1)([C@@H](CO2)O)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C23H28O7/c1-26-16-23-20(25)21(28-13-18-10-6-3-7-11-18)22(30-23,19(24)14-29-23)15-27-12-17-8-4-2-5-9-17/h2-11,19-21,24-25H,12-16H2,1H3/t19-,20+,21+,22-,23-/m1/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)F)C(=O)[O-])C
InChI: InChI=1S/C16H18FNO3/c1-9-7-13(14(16(20)21)8-10(9)2)15(19)18-12-5-3-11(17)4-6-12/h3-6,13-14H,7-8H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-,14-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)Cl)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C14H27ClO4Si/c1-13(2,3)20(6,7)16-8-9-10-11(12(15)17-9)19-14(4,5)18-10/h9-12H,8H2,1-7H3/t9-,10-,11-,12-/m1/s1
SMILES: COC1=CC=CC(=C1OC)[C@H]2[C@H]3CC4=CC=CC=C4[C@@H]3C5=C(N2)C(=CC=C5)C(=O)[O-]
InChI: InChI=1S/C25H23NO4/c1-29-20-12-6-10-17(24(20)30-2)23-19-13-14-7-3-4-8-15(14)21(19)16-9-5-11-18(25(27)28)22(16)26-23/h3-12,19,21,23,26H,13H2,1-2H3,(H,27,28)/p-1/t19-,21+,23-/m0/s1
SMILES: CC1=C(C(=CC=C1)OC2=CC=C(C=C2)N3C(=O)[C@@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57)C
InChI: InChI=1S/C32H25NO3/c1-18-8-7-13-26(19(18)2)36-21-16-14-20(15-17-21)33-31(34)29-27-22-9-3-4-10-23(22)28(30(29)32(33)35)25-12-6-5-11-24(25)27/h3-17,27-30H,1-2H3/t27?,28?,29-,30+
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC=C6)C(=O)NC7=CC=CC=C7)O)C(=C5)C(=O)C8=CC9=CC=CC=C9S8)O)C
InChI: InChI=1S/C45H48N2O4S/c1-41-20-17-33(48)26-43(41)23-24-45(34(27-43)39(49)36-25-31-13-9-10-16-35(31)52-36)37(41)18-21-42(2)38(45)19-22-44(42,51)29-47(28-30-11-5-3-6-12-30)40(50)46-32-14-7-4-8-15-32/h3-16,23-25,27,33,37-38,48,51H,17-22,26,28-29H2,1-2H3,(H,46,50)/t33?,37-,38-,41-,42+,43+,44-,45-/m1/s1
SMILES: COC1=C(C=C2C(=C1)C[C@@]3(C2=O)[C@@H]([C@H]4[C@@H]([C@H]3C5=CN=CC=C5)C(=O)C6=CC(=C(C=C46)OC)OC)C7=CN=CC=C7)OC
InChI: InChI=1S/C34H30N2O6/c1-39-24-11-20-15-34(33(38)21(20)12-25(24)40-2)30(18-7-5-9-35-16-18)28-22-13-26(41-3)27(42-4)14-23(22)32(37)29(28)31(34)19-8-6-10-36-17-19/h5-14,16-17,28-31H,15H2,1-4H3/t28-,29+,30-,31-,34-/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=C(C=CN4[C@@H]([C@H]3C2=O)C(=O)C5=CC(=CC=C5)[N+](=O)[O-])C#N)C
InChI: InChI=1S/C26H20N4O5/c1-14-6-7-19(15(2)10-14)29-25(32)21-20-11-16(13-27)8-9-28(20)23(22(21)26(29)33)24(31)17-4-3-5-18(12-17)30(34)35/h3-12,20-23H,1-2H3/t20-,21-,22-,23-/m0/s1
SMILES: CC[NH+](CC)CC.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)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O[P+](=O)[O-])CF)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H36FO18P.C6H15N/c1-17(36)44-16-24-26(45-18(2)37)27(46-19(3)38)29(47-20(4)39)33(49-24)52-25-23(15-35)48-34(53-54(42)43)30(51-32(41)22-13-9-6-10-14-22)28(25)50-31(40)21-11-7-5-8-12-21;1-4-7(5-2)6-3/h5-14,23-30,33-34H,15-16H2,1-4H3;4-6H2,1-3H3/p+1/t23-,24-,25-,26+,27+,28+,29-,30+,33+,34-;/m1./s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C14H23NO18S2/c1-3(16)15-5-10(31-14-8(19)6(17)7(18)11(32-14)12(20)21)9(33-35(26,27)28)4(30-13(5)22)2-29-34(23,24)25/h4-11,13-14,17-19,22H,2H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,6+,7+,8-,9+,10-,11+,13?,14-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)[NH2+]C[C@H](COC2=C(C=C(C(=C2)C)Cl)C(C)C)O
InChI: InChI=1S/C21H34ClNO2/c1-13(2)18-10-19(22)15(4)9-21(18)25-12-17(24)11-23-20-8-6-7-14(3)16(20)5/h9-10,13-14,16-17,20,23-24H,6-8,11-12H2,1-5H3/p+1/t14-,16-,17+,20-/m0/s1
SMILES: CC[C@@]12C(=NO[C@@]1(C(=C(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=C(C=C6C)C)C
InChI: InChI=1S/C35H31NO2/c1-5-34-32(29-24(3)21-23(2)22-25(29)4)36-38-35(34,28-19-13-8-14-20-28)31(27-17-11-7-12-18-27)30(33(34)37)26-15-9-6-10-16-26/h6-22H,5H2,1-4H3/t34-,35+/m0/s1
SMILES: CC(CCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)NC(=O)CNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)O)O)C
InChI: InChI=1S/C40H65N5O14/c1-23(4-7-33(50)51)26-5-6-27-38-28(16-30(47)40(26,27)3)39(2)9-8-25(14-24(39)15-29(38)46)42-31(48)17-41-32(49)18-43(10-12-44(19-34(52)53)20-35(54)55)11-13-45(21-36(56)57)22-37(58)59/h23-30,38,46-47H,4-22H2,1-3H3,(H,41,49)(H,42,48)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)/t23?,24-,25-,26+,27?,28?,29+,30-,38?,39-,40+/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)/C=C/C=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NC(C)C)OCCSC(=O)C(C)(C)C)N=[N+]=[N-]
InChI: InChI=1S/C23H35N6O8PS/c1-15(2)26-38(34,35-10-11-39-21(32)23(4,5)6)36-14-18-17(25-27-24)12-19(37-18)29-13-16(3)20(31)28(22(29)33)8-7-9-30/h7-9,13,15,17-19H,10-12,14H2,1-6H3,(H,26,34)/b8-7+/t17-,18+,19+,38?/m0/s1
SMILES: C[C@H]1C[C@H](C([C@@H]1C(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)C)C)/C)/C)(C)C)O.CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI: InChI=1S/C41H58O2.C18H27NO3/c1-29(18-14-20-31(3)22-24-36-34(6)26-33(5)28-40(36,8)9)16-12-13-17-30(2)19-15-21-32(4)23-25-37(42)39-35(7)27-38(43)41(39,10)11;1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h12-25,33,35,38-39,43H,26-28H2,1-11H3;6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b13-12+,18-14+,19-15+,24-22+,25-23+,29-16+,30-17+,31-20+,32-21+;8-6+/t33-,35+,38-,39+;/m1./s1
SMILES: CCOC(=O)C1=NN[C@H]2[C@H]1C(=O)N(C2=O)C3=CC(=CC(=C3)C)C
InChI: InChI=1S/C16H17N3O4/c1-4-23-16(22)13-11-12(17-18-13)15(21)19(14(11)20)10-6-8(2)5-9(3)7-10/h5-7,11-12,17H,4H2,1-3H3/t11-,12+/m1/s1
SMILES: CN(C)CC1=CC=CC=C1CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H29N3O3/c1-23(2)14-16-8-4-3-7-15(16)13-22-19(25)11-12-24-20(26)17-9-5-6-10-18(17)21(24)27/h3-4,7-8,17-18H,5-6,9-14H2,1-2H3,(H,22,25)/t17-,18+
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C2(C#N)C#N)C3=CC=CC=C3F
InChI: InChI=1S/C18H11FN2O/c19-14-9-5-4-8-13(14)15-16(18(15,10-20)11-21)17(22)12-6-2-1-3-7-12/h1-9,15-16H/t15-,16+/m1/s1
SMILES: C1=CC=C(C=C1)SC2=NC(=C3C(=N2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C16H17N5O4S/c17-13-10-14(20-16(19-13)26-8-4-2-1-3-5-8)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h1-5,7,9,11-12,15,22-24H,6H2,(H2,17,19,20)/t9-,11-,12-,15?/m1/s1
SMILES: CN1CCCC1=NC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP7(=S)SCCS7
InChI: InChI=1S/C37H41N4O6PS3/c1-40-20-7-10-34(40)38-33-19-21-41(36(42)39-33)35-24-31(47-48(49)50-22-23-51-48)32(46-35)25-45-37(26-8-5-4-6-9-26,27-11-15-29(43-2)16-12-27)28-13-17-30(44-3)18-14-28/h4-6,8-9,11-19,21,31-32,35H,7,10,20,22-25H2,1-3H3/t31-,32+,35+/m0/s1
SMILES: CC1=C(C=CC(=C1)C(=O)N[C@H]2[C@@H](CC3=C2C=C(C=C3)NC4=NC(CCC4)COC)O)C5=CC=CC=C5
InChI: InChI=1S/C30H33N3O3/c1-19-15-22(12-14-25(19)20-7-4-3-5-8-20)30(35)33-29-26-17-23(13-11-21(26)16-27(29)34)31-28-10-6-9-24(32-28)18-36-2/h3-5,7-8,11-15,17,24,27,29,34H,6,9-10,16,18H2,1-2H3,(H,31,32)(H,33,35)/t24?,27-,29-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C16H18O4/c17-16(7-12-6-10-1-2-11(12)5-10)20-13-3-4-14-15(8-13)19-9-18-14/h3-4,8,10-12H,1-2,5-7,9H2/t10-,11+,12+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](NC(=N2)N)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C16H15N3O/c17-16-18-13(11-7-3-1-4-8-11)14(19-16)15(20)12-9-5-2-6-10-12/h1-10,13-14H,(H3,17,18,19)/t13-,14-/m1/s1
SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)CO)O)O
InChI: InChI=1S/C27H36N4O18P2S/c1-30(2)15-7-3-6-14-13(15)5-4-8-18(14)52(43,44)29-20-23(36)21(34)16(11-32)47-26(20)48-51(41,42)49-50(39,40)45-12-17-22(35)24(37)25(46-17)31-10-9-19(33)28-27(31)38/h3-10,16-17,20-26,29,32,34-37H,11-12H2,1-2H3,(H,39,40)(H,41,42)(H,28,33,38)/t16-,17-,20-,21-,22-,23-,24-,25-,26-/m1/s1