EdisonScientific/glyph-datasets huggingface dataset:
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C(=CC(=C6)Br)OC)O)C(=O)C=C(C5=O)C)(O)O
InChI: InChI=1S/C30H25BBrNO8/c1-13-8-22(34)26-21(27(13)35)12-19-17(24(26)20-10-15(32)11-23(41-2)28(20)36)6-7-18-25(19)30(38)33(29(18)37)16-5-3-4-14(9-16)31(39)40/h3-6,8-11,18-19,24-25,36,39-40H,7,12H2,1-2H3/t18-,19+,24+,25-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C32H31N3O8/c1-32-21(12-9-16-13-23(42-2)26(36)24(14-16)43-3)18-10-11-19-25(29(39)35(27(19)37)31(33)41)20(18)15-22(32)28(38)34(30(32)40)17-7-5-4-6-8-17/h4-10,12-14,19-22,25,36H,11,15H2,1-3H3,(H2,33,41)/t19-,20+,21-,22-,25-,32-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)CN6CCC[C@H]6CN7CCCC7
InChI: InChI=1S/C37H43N5O4/c1-25-34(23-42-19-7-10-30(42)22-41-17-4-5-18-41)45-37(46-35(25)27-15-13-26(24-43)14-16-27)28-8-6-9-29(20-28)39-36(44)33-21-38-31-11-2-3-12-32(31)40-33/h2-3,6,8-9,11-16,20-21,25,30,34-35,37,43H,4-5,7,10,17-19,22-24H2,1H3,(H,39,44)/t25-,30+,34+,35+,37+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C(=O)[C@@](NC2=O)(C(F)(F)F)NC(=O)C3=C(C(=C(C=C3)OC)OC)OC
InChI: InChI=1S/C22H28F3N3O6/c1-11-7-6-8-14(12(11)2)28-19(30)21(22(23,24)25,27-20(28)31)26-18(29)13-9-10-15(32-3)17(34-5)16(13)33-4/h9-12,14H,6-8H2,1-5H3,(H,26,29)(H,27,31)/t11-,12+,14-,21+/m0/s1
SMILES: CC(=O)N1[C@H]2[C@H](C(OC3=C2C=C(C=C3)C#N)(C)C)OCC1=O
InChI: InChI=1S/C16H16N2O4/c1-9(19)18-13(20)8-21-15-14(18)11-6-10(7-17)4-5-12(11)22-16(15,2)3/h4-6,14-15H,8H2,1-3H3/t14-,15-/m1/s1
SMILES: C1=CC=C2C(=C1)C3[C@@H]4[C@@H](C2(C5=CC=CC=C35)[N+](=O)[O-])C(=O)N(C4=O)C6=NC7=CC=CC=C7S6
InChI: InChI=1S/C25H15N3O4S/c29-22-20-19-13-7-1-3-9-15(13)25(28(31)32,16-10-4-2-8-14(16)19)21(20)23(30)27(22)24-26-17-11-5-6-12-18(17)33-24/h1-12,19-21H/t19?,20-,21-,25?/m1/s1
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C43H64N8O14/c1-20(2)31(40(61)46-18-30(45)54)49-41(62)32(21(3)4)50-42(63)33(23(6)64-43-36(57)35(56)34(55)29(19-52)65-43)51-39(60)28(17-24-10-8-7-9-11-24)48-37(58)22(5)47-38(59)27(44)16-25-12-14-26(53)15-13-25/h7-15,20-23,27-29,31-36,43,52-53,55-57H,16-19,44H2,1-6H3,(H2,45,54)(H,46,61)(H,47,59)(H,48,58)(H,49,62)(H,50,63)(H,51,60)/t22-,23-,27+,28+,29-,31+,32+,33+,34-,35+,36-,43-/m1/s1
SMILES: C[C@@H]1[C@@H](C(=O)N(C1=O)C2=NC=CS2)CC3=CC=C(C=C3)C
InChI: InChI=1S/C16H16N2O2S/c1-10-3-5-12(6-4-10)9-13-11(2)14(19)18(15(13)20)16-17-7-8-21-16/h3-8,11,13H,9H2,1-2H3/t11-,13+/m1/s1
SMILES: C[C@@H]1C=C([C@@H]2[C@H]([C@]1(CO[C@H]2C3=CC=CC=C3)COC(=O)CN4CCCCC4)C)C
InChI: InChI=1S/C25H35NO3/c1-18-14-19(2)25(16-28-22(27)15-26-12-8-5-9-13-26)17-29-24(23(18)20(25)3)21-10-6-4-7-11-21/h4,6-7,10-11,14,19-20,23-24H,5,8-9,12-13,15-17H2,1-3H3/t19-,20-,23-,24+,25+/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCNC(=O)N)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC=C
InChI: InChI=1S/C49H50N6O10/c1-5-23-51-43(57)37-40-45(59)65-41(32-17-10-7-11-18-32)39(31-15-8-6-9-16-31)55(40)42(33-19-12-20-34(28-33)64-26-25-56)49(37)35-27-30(14-13-24-52-47(50)61)21-22-36(35)54(46(49)60)48(62)53-38(29(2)3)44(58)63-4/h5-12,15-22,27-29,37-42,56H,1,23-26H2,2-4H3,(H,51,57)(H,53,62)(H3,50,52,61)/t37-,38-,39-,40-,41+,42+,49-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C(N2C)C3=CC=CO3
InChI: InChI=1S/C17H24N4O2S/c1-11-6-4-7-13(12(11)2)18-15(22)10-24-17-20-19-16(21(17)3)14-8-5-9-23-14/h5,8-9,11-13H,4,6-7,10H2,1-3H3,(H,18,22)/t11-,12+,13+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@](COC(=O)C(C)(C)C)(C#CC1=C[C@H]([C@@H]([C@@]1(CC#C)O)OCC2=CC=C(C=C2)OC)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)[C@H]5COC6(O5)CCCC6
InChI: InChI=1S/C54H72O9Si2/c1-12-33-54(56)42(32-36-52(40-59-49(55)50(5,6)7,63-64(13-2,14-3)15-4)47-39-60-53(61-47)34-22-23-35-53)37-46(48(54)58-38-41-28-30-43(57-11)31-29-41)62-65(51(8,9)10,44-24-18-16-19-25-44)45-26-20-17-21-27-45/h1,16-21,24-31,37,46-48,56H,13-15,22-23,33-35,38-40H2,2-11H3/t46-,47-,48+,52+,54+/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C40H60O11/c1-23-14-17-30(50-38-36(49-27(5)43)34(48-26(4)42)33(47-25(3)41)35(51-38)37(44)46-9)22-29(23)16-15-28-13-11-21-40(8)31(18-19-32(28)40)24(2)12-10-20-39(6,7)45/h15-16,24,30-36,38,45H,1,10-14,17-22H2,2-9H3/b28-15+,29-16-/t24-,30+,31-,32+,33+,34+,35+,36-,38-,40-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=O)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCCNC(=O)C4=C(C(=CC(=C4)[N+](=O)[O-])O)O)O)O
InChI: InChI=1S/C25H25N5O11/c31-16-9-14(30(38)39)8-15(20(16)33)24(37)26-6-7-40-11-17-21(34)22(35)25(41-17)29-12-27-18(10-19(29)32)28-23(36)13-4-2-1-3-5-13/h1-5,8-10,12,17,21-22,25,31,33-35H,6-7,11H2,(H,26,37)(H,28,36)/t17-,21-,22-,25-/m1/s1
SMILES: CC(C)(C)OC(=O)[C@H]1[C@@H](C(=O)N1C2=CC=C(C=C2)OC)OC
InChI: InChI=1S/C16H21NO5/c1-16(2,3)22-15(19)12-13(21-5)14(18)17(12)10-6-8-11(20-4)9-7-10/h6-9,12-13H,1-5H3/t12-,13+/m1/s1
SMILES: CCOC(=O)[C@@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CO3)C(=O)N(C2=O)C)C
InChI: InChI=1S/C15H18N2O5/c1-4-21-14(20)15(2)10-9(12(18)17(3)13(10)19)11(16-15)8-6-5-7-22-8/h5-7,9-11,16H,4H2,1-3H3/t9-,10+,11-,15-/m0/s1
SMILES: CCOC(=O)C1=C(N=C2C[C@H](CC(=O)[C@@H]2[C@H]1C3=CC=CC=C3F)C4=CC=CS4)C
InChI: InChI=1S/C23H22FNO3S/c1-3-28-23(27)20-13(2)25-17-11-14(19-9-6-10-29-19)12-18(26)22(17)21(20)15-7-4-5-8-16(15)24/h4-10,14,21-22H,3,11-12H2,1-2H3/t14-,21+,22-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=CC(=C5)Cl)O)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O
InChI: InChI=1S/C30H22ClNO8/c1-12-8-23(35)26-20(27(12)36)11-18-15(24(26)19-9-13(31)2-7-21(19)33)5-6-17-25(18)29(38)32(28(17)37)14-3-4-16(30(39)40)22(34)10-14/h2-5,7-10,17-18,24-25,33-34H,6,11H2,1H3,(H,39,40)/t17-,18+,24+,25-/m0/s1
SMILES: CC1=C2[C@@H](CC[C@@H]([C@]2(CCC1=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H22O5/c1-9-12(19)7-8-16(4)14(21-11(3)18)6-5-13(15(9)16)20-10(2)17/h13-14H,5-8H2,1-4H3/t13-,14+,16-/m1/s1
SMILES: C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CCC(=O)N)C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C(=O)N2
InChI: InChI=1S/C22H19ClN4O4/c23-11-5-7-12(8-6-11)27-19(29)17-15(9-10-16(24)28)26-22(18(17)20(27)30)13-3-1-2-4-14(13)25-21(22)31/h1-8,15,17-18,26H,9-10H2,(H2,24,28)(H,25,31)/p+1/t15-,17+,18-,22-/m0/s1
SMILES: C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])OC(=O)CNC(=O)[C@@H]3CSC[NH2+]3.[Cl-]
InChI: InChI=1S/C12H17N3O8S.ClH/c16-9(1-13-12(17)6-4-24-5-14-6)22-7-2-20-11-8(23-15(18)19)3-21-10(7)11;/h6-8,10-11,14H,1-5H2,(H,13,17);1H/t6-,7+,8-,10+,11+;/m0./s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2CN(CC3)C)C(=O)/C=C/C4=CC=C(C=C4)F
InChI: InChI=1S/C22H23FN2O/c1-15-3-9-20-18(13-15)19-14-24(2)12-11-21(19)25(20)22(26)10-6-16-4-7-17(23)8-5-16/h3-10,13,19,21H,11-12,14H2,1-2H3/b10-6+/t19-,21-/m1/s1
SMILES: C/C=C/[C@@H]1[C@@H](OC2(O1)CCCCC2)/C=C/C(=O)[C@@]3([C@H](COC3=O)CO[Si](C)(C)C(C)(C)C)OC4CCCCO4
InChI: InChI=1S/C30H48O8Si/c1-7-13-23-24(37-29(36-23)17-10-8-11-18-29)15-16-25(31)30(38-26-14-9-12-19-33-26)22(20-34-27(30)32)21-35-39(5,6)28(2,3)4/h7,13,15-16,22-24,26H,8-12,14,17-21H2,1-6H3/b13-7+,16-15+/t22-,23-,24+,26?,30-/m1/s1
SMILES: CCCCCCCCCCCCCCCCC(C(=O)O)NC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
InChI: InChI=1S/C24H45NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(23(30)31)25-22(29)21-19(27)18(26)20(28)24(32)33-21/h17-21,24,26-28,32H,2-16H2,1H3,(H,25,29)(H,30,31)/t17?,18-,19-,20+,21-,24+/m0/s1
SMILES: CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)[C@H]2C[C@H]2C)N
InChI: InChI=1S/C15H21N3O5/c1-4-5-18-12(16)11(13(20)17(3)15(18)22)10(19)7-23-14(21)9-6-8(9)2/h8-9H,4-7,16H2,1-3H3/t8-,9+/m1/s1
SMILES: CCCCNC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC4(O3)CCCCC4)OC5(O2)CCCCC5
InChI: InChI=1S/C22H35NO6/c1-2-3-14-23-19(24)17-15-16(27-21(26-15)10-6-4-7-11-21)18-20(25-17)29-22(28-18)12-8-5-9-13-22/h15-18,20H,2-14H2,1H3,(H,23,24)/t15-,16+,17+,18-,20-/m1/s1
SMILES: C1[C@H](C[C@H]2[C@H]1OCP(=O)(O2)O)N3C=NC4=C(N=CN=C43)N
InChI: InChI=1S/C11H14N5O4P/c12-10-9-11(14-3-13-10)16(4-15-9)6-1-7-8(2-6)20-21(17,18)5-19-7/h3-4,6-8H,1-2,5H2,(H,17,18)(H2,12,13,14)/t6-,7+,8+/m1/s1
SMILES: C1CC2=CC=CC=C2C3=NC4=CC=CC=C4S[C@H]([C@@H]31)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C24H18F3NS/c25-24(26,27)17-12-9-16(10-13-17)23-19-14-11-15-5-1-2-6-18(15)22(19)28-20-7-3-4-8-21(20)29-23/h1-10,12-13,19,23H,11,14H2/t19-,23+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](OP(O1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC
InChI: InChI=1S/C26H27O6P/c1-3-29-25(27)23-24(26(28)30-4-2)32-33(31-23,20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23-24H,3-4H2,1-2H3/t23-,24-/m0/s1
SMILES: CC(=O)NC1=CC2=C(C=C1)N[C@H]([C@@H]3[C@@H]2[C@H]([C@H](C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C26H22Cl3N3O3S/c1-13(33)30-15-7-9-20-17(11-15)24-18(26(31-20)16-8-6-14(27)10-19(16)28)12-23(25(24)29)36-22-5-3-2-4-21(22)32(34)35/h2-11,18,23-26,31H,12H2,1H3,(H,30,33)/t18-,23-,24+,25-,26-/m0/s1
SMILES: C=CC1=CC[C@H]2C(=O)N(C(=O)[C@]2([C@H]1C3=C(C=C(C=C3)O)Cl)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C28H21Cl2NO3/c1-2-17-11-14-23-26(33)31(20-10-6-9-19(29)15-20)27(34)28(23,18-7-4-3-5-8-18)25(17)22-13-12-21(32)16-24(22)30/h2-13,15-16,23,25,32H,1,14H2/t23-,25+,28+/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=C(C=C(C=C4)O)Cl)C(=O)N(C3=O)C5=CC(=CC=C5)[N+](=O)[O-])[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC(=CC=C7)[N+](=O)[O-]
InChI: InChI=1S/C32H23ClN4O9/c33-25-13-19(38)7-8-21(25)26-20-9-10-22-27(31(41)34(29(22)39)15-3-1-5-17(11-15)36(43)44)23(20)14-24-28(26)32(42)35(30(24)40)16-4-2-6-18(12-16)37(45)46/h1-9,11-13,22-24,26-28,38H,10,14H2/t22-,23+,24+,26+,27-,28+/m0/s1
SMILES: CCCN1C(=O)[C@@H]2C[C@@H](CN2C1(C)C)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)O
InChI: InChI=1S/C21H31N3O5S/c1-6-7-22-18(26)13-8-12(9-23(13)21(22,4)5)30-17-10(2)15-14(11(3)25)19(27)24(15)16(17)20(28)29/h10-15,25H,6-9H2,1-5H3,(H,28,29)/t10-,11-,12+,13+,14-,15-/m1/s1
SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
SMILES: C/C=C(\C)/C(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)OC(=O)C
InChI: InChI=1S/C47H55NO15/c1-10-24(2)41(54)48-35(29-17-13-11-14-18-29)37(60-27(5)50)43(56)61-31-22-47(57)40(62-42(55)30-19-15-12-16-20-30)38-45(9,32(52)21-33-46(38,23-58-33)63-28(6)51)39(53)36(59-26(4)49)34(25(31)3)44(47,7)8/h10-20,31-33,35-38,40,52,57H,21-23H2,1-9H3,(H,48,54)/b24-10+/t31-,32+,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
SMILES: CCOC1=C(C=C(C=C1)C(=O)NNC(=S)N[C@@H]2CCC[C@@H]([C@@H]2C)C)[N+](=O)[O-]
InChI: InChI=1S/C18H26N4O4S/c1-4-26-16-9-8-13(10-15(16)22(24)25)17(23)20-21-18(27)19-14-7-5-6-11(2)12(14)3/h8-12,14H,4-7H2,1-3H3,(H,20,23)(H2,19,21,27)/t11-,12-,14+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@H]([C@@H]2[C@H]1C(=NO2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H20N2O4/c1-13(24)26-17-12-16(22-21(25)15-10-6-3-7-11-15)20-18(17)19(23-27-20)14-8-4-2-5-9-14/h2-11,16-18,20H,12H2,1H3,(H,22,25)/t16-,17+,18-,20-/m1/s1
SMILES: C[C@]1([C@@H]([C@@H](COC1O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OCC2=CC=CC=C2
InChI: InChI=1S/C23H34O7/c1-21(2,3)18(24)29-16-14-27-20(26)23(7,17(16)30-19(25)22(4,5)6)28-13-15-11-9-8-10-12-15/h8-12,16-17,20,26H,13-14H2,1-7H3/t16-,17-,20?,23-/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C=N/OCC3=CC=C(C=C3)OC)SC1)C(=O)O
InChI: InChI=1S/C20H21N3O8S/c1-11(24)30-9-13-10-32-19-16(18(26)23(19)17(13)20(27)28)22-15(25)7-21-31-8-12-3-5-14(29-2)6-4-12/h3-7,16,19H,8-10H2,1-2H3,(H,22,25)(H,27,28)/b21-7+/t16-,19-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC(=C(C=C4)O)F)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)C8=NC9=CC=CC=C9O8
InChI: InChI=1S/C39H25Cl2F2N3O6/c40-38-18-26-24(32(20-7-16-29(47)27(43)17-20)39(38,41)37(51)46(36(38)50)23-12-8-21(42)9-13-23)14-15-25-31(26)35(49)45(34(25)48)22-10-5-19(6-11-22)33-44-28-3-1-2-4-30(28)52-33/h1-14,16-17,25-26,31-32,47H,15,18H2/t25-,26+,31-,32-,38+,39-/m0/s1
SMILES: CC(C)O[C@]1([C@](OCCO1)(C2=CC=CC=C2)OC(C)C)C3=CC=CC=C3
InChI: InChI=1S/C22H28O4/c1-17(2)25-21(19-11-7-5-8-12-19)22(26-18(3)4,24-16-15-23-21)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3/t21-,22-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@H](O2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C15H11NO4/c17-13(10-4-2-1-3-5-10)15-14(20-15)11-6-8-12(9-7-11)16(18)19/h1-9,14-15H/t14-,15+/m1/s1
SMILES: CCCC[C@@]1(C[C@@H](N[C@@H]([C@H]1C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)O
InChI: InChI=1S/C24H33NO3/c1-5-6-15-24(26)16-22(18-7-11-20(27-3)12-8-18)25-23(17(24)2)19-9-13-21(28-4)14-10-19/h7-14,17,22-23,25-26H,5-6,15-16H2,1-4H3/t17-,22-,23+,24+/m1/s1
SMILES: CCCC[C@@H](C(=O)NC1=CC=CC=C1Cl)N2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C30H27ClN2O3/c1-2-3-16-23(28(34)32-22-15-9-8-14-21(22)31)33-29(35)26-24-17-10-4-5-11-18(17)25(27(26)30(33)36)20-13-7-6-12-19(20)24/h4-15,23-27H,2-3,16H2,1H3,(H,32,34)/t23-,24?,25?,26-,27+/m0/s1
SMILES: C[C@H](C(=O)N)NC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)O)NC(=O)CS(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H23N3O7S/c1-10(17(19)25)20-18(26)11-7-13(16(24)14(22)8-11)21-15(23)9-29(27,28)12-5-3-2-4-6-12/h2-7,10,13-14,16,22,24H,8-9H2,1H3,(H2,19,25)(H,20,26)(H,21,23)/t10-,13-,14-,16-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)C3=C(C=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl)Cl
InChI: InChI=1S/C23H23Cl3N2O2/c24-15-7-9-17(19(25)12-15)22(29)27-16-8-10-18(20(26)13-16)23(30)28-11-3-5-14-4-1-2-6-21(14)28/h7-10,12-14,21H,1-6,11H2,(H,27,29)/t14-,21+/m1/s1
SMILES: C[C@@]1(CC[C@@H]2[C@H](O1)C3=CC=CC=C3OC2(C)C)C#CC[NH+](CCO)CCO
InChI: InChI=1S/C22H31NO4/c1-21(2)18-9-11-22(3,10-6-12-23(13-15-24)14-16-25)27-20(18)17-7-4-5-8-19(17)26-21/h4-5,7-8,18,20,24-25H,9,11-16H2,1-3H3/p+1/t18-,20-,22+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@]3([C@H]4CC[C@@H]5[C@H](CC[C@]5([C@@]4(CC[C@H]3C2(C)C)C)C)[C@@](C)(C/C=C/C(C)(C)O)O)C)O)O)O)O)O
InChI: InChI=1S/C38H64O11/c1-20(39)47-19-23-26(40)27(41)28(42)32(48-23)49-31-29(43)30(44)38(9)24(34(31,4)5)14-18-36(7)25(38)12-11-21-22(13-17-35(21,36)6)37(8,46)16-10-15-33(2,3)45/h10,15,21-32,40-46H,11-14,16-19H2,1-9H3/b15-10+/t21-,22+,23-,24+,25+,26-,27+,28-,29-,30-,31+,32+,35-,36-,37-,38+/m1/s1
SMILES: CC(C)CCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@@H](C2=[N+](C=CS2)C)OCC3=CC=C(C=C3)OC.[I-]
InChI: InChI=1S/C32H52NO4S.HI/c1-25(2)16-14-12-10-8-7-9-11-13-15-17-28-29(37-32(3,4)36-28)30(31-33(5)22-23-38-31)35-24-26-18-20-27(34-6)21-19-26;/h18-23,25,28-30H,7-17,24H2,1-6H3;1H/q+1;/p-1/t28-,29-,30+;/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)CCC(=O)O)CN(C)[C@H](C)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C43H46N2O6/c1-28-39(26-45(3)29(2)34-19-18-32-9-4-5-10-36(32)23-34)50-43(51-42(28)33-16-14-30(27-46)15-17-33)38-13-7-12-37(24-38)35-11-6-8-31(22-35)25-44-40(47)20-21-41(48)49/h4-19,22-24,28-29,39,42-43,46H,20-21,25-27H2,1-3H3,(H,44,47)(H,48,49)/t28-,29-,39+,42+,43+/m1/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=CC(=CC=C2)I)C(=O)OCCOC3=CC=CC=C3
InChI: InChI=1S/C20H19IN2O4/c1-13-17(19(24)27-11-10-26-16-8-3-2-4-9-16)18(23-20(25)22-13)14-6-5-7-15(21)12-14/h2-9,12,17-18H,1,10-11H2,(H2,22,23,25)/t17-,18+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=C(N=CC=C1)Cl)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C18H18ClN3O5/c1-10(22-16(24)11-5-2-3-6-12(11)17(22)25)18(26)27-9-14(23)21-13-7-4-8-20-15(13)19/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,21,23)/t10-,11+,12+/m0/s1
SMILES: C[C@@]12C[C@@H]([C@@H](C(=O)N1)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4O2
InChI: InChI=1S/C20H20N2O4/c1-20-11-13(12-7-3-5-9-15(12)26-20)17(19(24)22-20)18(23)21-14-8-4-6-10-16(14)25-2/h3-10,13,17H,11H2,1-2H3,(H,21,23)(H,22,24)/t13-,17-,20-/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C4CC4
InChI: InChI=1S/C18H22N2O6/c1-23-12-6-4-11(5-7-12)19-18(22)26-14-9-25-15-13(8-24-16(14)15)20-17(21)10-2-3-10/h4-7,10,13-16H,2-3,8-9H2,1H3,(H,19,22)(H,20,21)/t13-,14+,15+,16+/m0/s1
SMILES: C1C[C@@H]([C@H]([C@@H]1CO)COCC2=CC=CC=C2)COCC3=CC=CC=C3
InChI: InChI=1S/C22H28O3/c23-13-20-11-12-21(16-24-14-18-7-3-1-4-8-18)22(20)17-25-15-19-9-5-2-6-10-19/h1-10,20-23H,11-17H2/t20-,21+,22-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C[C@H]([C@@H]3[C@H]2SCCS3)OC4=CC=CC=C4
InChI: InChI=1S/C19H21NO2S2/c1-21-15-9-7-14(8-10-15)20-13-17(18-19(20)24-12-11-23-18)22-16-5-3-2-4-6-16/h2-10,17-19H,11-13H2,1H3/t17-,18-,19-/m1/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCNC4=O)SC1)C(=O)O
InChI: InChI=1S/C20H21N5O6S/c1-10-9-32-17-13(16(27)25(17)14(10)18(28)29)22-15(26)12(11-5-3-2-4-6-11)23-20(31)24-8-7-21-19(24)30/h2-6,12-13,17H,7-9H2,1H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t12-,13-,17-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4F
InChI: InChI=1S/C21H18FNO4/c22-18-8-4-3-7-17(18)21(26)27-14-11-9-13(10-12-14)23-19(24)15-5-1-2-6-16(15)20(23)25/h3-4,7-12,15-16H,1-2,5-6H2/t15-,16+
SMILES: C[C@@]12CCC(=O)C=C1CC[C@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@]5(C(=O)CO)O)C
InChI: InChI=1S/C21H28O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h9,14-15,17,22,25H,3-8,10-11H2,1-2H3/t14-,15+,17+,18+,19-,20+,21-/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC3=C2[C@@H]4[C@@H](O4)C5=CC=CC=C35
InChI: InChI=1S/C18H12O/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-18(19-17)16(12)14/h1-10,17-18H/t17-,18+/m0/s1
SMILES: CCN(CC)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C16H23N3O9S/c1-3-17(4-2)8-6-12(10(19(26)27)5-9(8)18(24)25)29-16-15(23)14(22)13(21)11(7-20)28-16/h5-6,11,13-16,20-23H,3-4,7H2,1-2H3/t11-,13+,14+,15-,16+/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OC7=CC=CC(=C7)[N+](=O)[O-])OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C60H75FN4O12/c1-3-5-6-7-8-9-10-11-12-17-36-73-59(68)63(41-43-23-27-46(61)28-24-43)56-40-54(62-75-42-44-25-29-47(30-26-44)64(69)70)52-37-45(19-13-15-33-66)51(22-14-16-34-67)57-53-39-50(76-49-21-18-20-48(38-49)65(71)72)31-32-55(53)77-60(56,58(52)57)74-35-4-2/h4,18,20-21,23-32,37-39,45,51,56-58,66-67H,2-3,5-17,19,22,33-36,40-42H2,1H3/t45-,51+,56-,57+,58+,60+/m0/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5)CN6CCC(CC6)N7C8=CC=CC=C8NC7=O
InChI: InChI=1S/C41H43N5O6S/c1-27-36(25-45-22-19-33(20-23-45)46-35-9-3-2-8-34(35)44-41(46)48)51-40(52-39(27)31-15-13-29(26-47)14-16-31)32-17-11-28(12-18-32)24-43-53(49,50)37-10-4-6-30-7-5-21-42-38(30)37/h2-18,21,27,33,36,39-40,43,47H,19-20,22-26H2,1H3,(H,44,48)/t27-,36+,39+,40?/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)C[C@H]2[C@@H]([C@@](CO2)(COCC3=CC=CC=C3)OC(=O)C)OCC4=CC=CC=C4
InChI: InChI=1S/C27H30N2O7/c1-19-13-29(26(32)28-25(19)31)14-23-24(34-16-22-11-7-4-8-12-22)27(18-35-23,36-20(2)30)17-33-15-21-9-5-3-6-10-21/h3-13,23-24H,14-18H2,1-2H3,(H,28,31,32)/t23-,24-,27-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NCCSCC3=CC=CC=C3C#N
InChI: InChI=1S/C21H25N3O3S/c22-13-15-5-1-2-6-16(15)14-28-12-10-23-19(25)9-11-24-20(26)17-7-3-4-8-18(17)21(24)27/h1-2,5-6,17-18H,3-4,7-12,14H2,(H,23,25)/t17-,18+
SMILES: CO[C@@H]1C[C@H]2C(=O)N3CC[C@@H]([C@H]3C(=O)N2C1)NC(=O)C4=CC=CO4
InChI: InChI=1S/C16H19N3O5/c1-23-9-7-11-15(21)18-5-4-10(13(18)16(22)19(11)8-9)17-14(20)12-3-2-6-24-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,17,20)/t9-,10+,11+,13+/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C=CC(=C5)Cl)O)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C26H23BrClNO5/c1-26(2,3)29-24(33)13-6-5-12-14(21(13)25(29)34)9-16-22(19(31)10-17(27)23(16)32)20(12)15-8-11(28)4-7-18(15)30/h4-5,7-8,10,13-14,20-21,30H,6,9H2,1-3H3/t13-,14+,20+,21-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)OCCOC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H46N2O7Si2/c1-23(2,3)34(8,9)31-16-17-19(33-35(10,11)24(4,5)6)20(30-15-14-29-7)21(32-17)26-13-12-18(27)25-22(26)28/h12-13,17,19-21H,14-16H2,1-11H3,(H,25,27,28)/t17-,19-,20-,21-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OS(=O)(=O)CC2=CC=CC=C2)OCC=C)OCC3=CC=CC=C3
InChI: InChI=1S/C25H28Cl3NO7S/c1-3-14-32-21-20(33-15-18-10-6-4-7-11-18)17(2)34-23(35-24(29)25(26,27)28)22(21)36-37(30,31)16-19-12-8-5-9-13-19/h3-13,17,20-23,29H,1,14-16H2,2H3/t17-,20-,21+,22+,23-/m1/s1
SMILES: C[C@H](C[S@@](=O)[C@@]1([C@@H]2C[C@H]([C@H]1[N+](=O)[O-])C=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C17H21NO3S/c1-12(13-6-4-3-5-7-13)11-22(21)17(2)15-9-8-14(10-15)16(17)18(19)20/h3-9,12,14-16H,10-11H2,1-2H3/t12-,14-,15+,16-,17-,22-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H38O6/c1-26-32(37-22-27-12-6-3-7-13-27)33(38-23-28-14-8-4-9-15-28)34(39-24-29-16-10-5-11-17-29)35(41-26)40-25-30-18-20-31(36-2)21-19-30/h3-21,26,32-35H,22-25H2,1-2H3/t26-,32-,33+,34-,35-/m0/s1
SMILES: C[C@H]1[C@H]2C3=C(C=CC(=C3)[N+](=O)[O-])O[C@@]1(N(C(=S)N2)C4=CC=CC=C4C)C
InChI: InChI=1S/C19H19N3O3S/c1-11-6-4-5-7-15(11)21-18(26)20-17-12(2)19(21,3)25-16-9-8-13(22(23)24)10-14(16)17/h4-10,12,17H,1-3H3,(H,20,26)/t12-,17-,19-/m0/s1
SMILES: CCC1=C(C(=C2C(=C1O)[C@H]([C@@H]([C@H](O2)CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C)OC)CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChI: InChI=1S/C42H82O6Si3.3CO.Cr/c1-22-34-35(23-2)39(44-21)41-37(38(34)43)42(48-51(31(15)16,32(17)18)33(19)20)40(47-50(28(9)10,29(11)12)30(13)14)36(46-41)24-45-49(25(3)4,26(5)6)27(7)8;3*1-2;/h25-33,36,40,42-43H,22-24H2,1-21H3;;;;/t36-,40-,42-;;;;/m1..../s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@H]2[C@H](CCN2C1)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H38N2O3Si/c1-18(2,3)23-17(22)20-14-9-10-15-16(11-12-21(15)13-14)24-25(7,8)19(4,5)6/h14-16H,9-13H2,1-8H3,(H,20,22)/t14-,15-,16-/m0/s1
SMILES: CC(C)[C@@H]1[C@H]2CC=C[C@@H]2C3=C(N1)C=CC(=C3)C(=O)O
InChI: InChI=1S/C16H19NO2/c1-9(2)15-12-5-3-4-11(12)13-8-10(16(18)19)6-7-14(13)17-15/h3-4,6-9,11-12,15,17H,5H2,1-2H3,(H,18,19)/t11-,12-,15+/m0/s1
SMILES: CCCN1[C@@H]2C[C@@H]([C@@H]([C@@H]([C@@]2(C[C@H]1C(=O)OC)O)O)O)O
InChI: InChI=1S/C13H23NO6/c1-3-4-14-7(12(18)20-2)6-13(19)9(14)5-8(15)10(16)11(13)17/h7-11,15-17,19H,3-6H2,1-2H3/t7-,8-,9+,10-,11-,13-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C41H77NO7/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)42-38-40(39(46)35(34-43)48-41(38)47-33-6-3)49-37(45)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,35,38-41,43,46H,3-5,7-34H2,1-2H3,(H,42,44)/t35-,38-,39-,40-,41-/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@H]4[C@@H]5CC=C6C[C@@H](CC[C@@]6([C@H]5C[C@H]4[C@@H]3CN2C1)C)O)(C)O
InChI: InChI=1S/C27H43NO2/c1-16-4-9-25-27(3,30)23-8-7-19-20-6-5-17-12-18(29)10-11-26(17,2)24(20)13-21(19)22(23)15-28(25)14-16/h5,16,18-25,29-30H,4,6-15H2,1-3H3/t16-,18+,19-,20-,21+,22-,23-,24-,25-,26-,27-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(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)CC(C)C)O)C)C)C)O)(C)O
InChI: InChI=1S/C40H71NO12/c1-15-28-40(12,46)33(43)23(6)31-21(4)17-39(11,53-31)35(52-37-30(42)27(16-22(5)48-37)41(13)19-20(2)3)24(7)32(25(8)36(45)50-28)51-29-18-38(10,47-14)34(44)26(9)49-29/h20,22-30,32-35,37,42-44,46H,15-19H2,1-14H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F)/C=C/[123I]
InChI: InChI=1S/C11H12FIN2O5/c12-7-8(17)6(4-16)20-10(7)15-3-5(1-2-13)9(18)14-11(15)19/h1-3,6-8,10,16-17H,4H2,(H,14,18,19)/b2-1+/t6-,7-,8-,10-/m1/s1/i13-4
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@H](C4)OC(=O)CCC5=CC(=CC=C5)N(CCCl)CCCl)C)C
InChI: InChI=1S/C37H55Cl2NO4/c1-25(7-13-34(41)42)31-11-12-32-30-10-9-27-24-29(15-17-36(27,2)33(30)16-18-37(31,32)3)44-35(43)14-8-26-5-4-6-28(23-26)40(21-19-38)22-20-39/h4-6,23,25,27,29-33H,7-22,24H2,1-3H3,(H,41,42)/t25-,27?,29-,30+,31-,32+,33+,36+,37-/m1/s1
SMILES: CCOC(=O)COC(=O)[C@H]1[C@H](C(=O)N1)NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C16H18N2O7/c1-2-23-11(19)9-24-15(21)13-12(14(20)17-13)18-16(22)25-8-10-6-4-3-5-7-10/h3-7,12-13H,2,8-9H2,1H3,(H,17,20)(H,18,22)/t12-,13-/m1/s1
SMILES: CC(C)([C@@H]1[C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O
InChI: InChI=1S/C14H14O5/c1-14(2,17)13-11(16)10-8(18-13)5-3-7-4-6-9(15)19-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13+/m1/s1