EdisonScientific/glyph-datasets huggingface dataset:
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(=C4)CN5C(=O)C6=CC=CC=C6C5=O)CSC7=NN=CN7C
InChI: InChI=1S/C37H34N4O5S/c1-23-32(21-47-37-39-38-22-40(37)2)45-36(46-33(23)27-12-10-24(20-42)11-13-27)28-16-14-26(15-17-28)29-7-5-6-25(18-29)19-41-34(43)30-8-3-4-9-31(30)35(41)44/h3-18,22-23,32-33,36,42H,19-21H2,1-2H3/t23-,32+,33+,36+/m0/s1
SMILES: CC(=O)N[C@@]1([C@@H]2[C@H]([C@H](OC1=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O)OC(O2)(C)C)N
InChI: InChI=1S/C18H34N2O7Si/c1-10(21)20-18(19)14-13(26-17(5,6)27-14)12(25-15(18)23)11(22)9-24-28(7,8)16(2,3)4/h11-14,22H,9,19H2,1-8H3,(H,20,21)/t11-,12-,13+,14+,18-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C=CC7=C(C=CC(=C7)OC)OC)Cl
InChI: InChI=1S/C41H38Cl2N2O9/c1-44-38(49)40(42)21-29-27(30(41(40,43)39(44)50)16-9-23-18-32(53-4)35(46)33(19-23)54-5)14-15-28-34(29)37(48)45(36(28)47)25-11-7-22(8-12-25)6-10-24-20-26(51-2)13-17-31(24)52-3/h6-14,16-20,28-30,34,46H,15,21H2,1-5H3/t28-,29+,30-,34-,40+,41-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COCCCSCC(=O)NCCCCCC(=O)NCCCCC5=NN(C=N5)CC(CN6C=NC=N6)(C7=C(C=C(C=C7)F)F)O
InChI: InChI=1S/C48H66F2N8O7S/c1-32(2)39-20-34-22-45(27-59)37-14-12-33(3)36(37)23-46(34,48(39,45)44(62)63)28-65-18-9-19-66-24-43(61)53-16-7-4-5-11-42(60)52-17-8-6-10-41-54-31-58(56-41)26-47(64,25-57-30-51-29-55-57)38-15-13-35(49)21-40(38)50/h13,15,20-21,27,29-34,36-37,64H,4-12,14,16-19,22-26,28H2,1-3H3,(H,52,60)(H,53,61)(H,62,63)/t33-,34?,36-,37-,45?,46?,47?,48?/m1/s1
SMILES: [2H]C1([C@H]([C@H](CCN1CC2=CC=CC=C2)NC)[C@H](C3=CC=CC=C3)O)[2H]
InChI: InChI=1S/C20H26N2O/c1-21-19-12-13-22(14-16-8-4-2-5-9-16)15-18(19)20(23)17-10-6-3-7-11-17/h2-11,18-21,23H,12-15H2,1H3/t18-,19+,20+/m1/s1/i15D2
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[C@H](CC[C@H]34)O
InChI: InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1
SMILES: C[C@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)CO)C)O[C@@H]1C/C=C(\C)/I
InChI: InChI=1S/C16H27IO3/c1-11-6-8-16(19-14(11)5-4-13(3)17)9-7-12(2)15(10-18)20-16/h4,11-12,14-15,18H,5-10H2,1-3H3/b13-4+/t11-,12-,14+,15-,16+/m0/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)C[C@H]4[C@H](CCN4C(C)C)C(=O)NO
InChI: InChI=1S/C26H31N3O5S/c1-17(2)29-13-12-23(26(30)28-31)25(29)16-35(32,33)21-10-8-20(9-11-21)34-15-19-14-18(3)27-24-7-5-4-6-22(19)24/h4-11,14,17,23,25,31H,12-13,15-16H2,1-3H3,(H,28,30)/t23-,25-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C19H18N4O5/c1-11-16(18(24)21-13-4-3-5-14(10-13)23(26)27)17(22-19(25)20-11)12-6-8-15(28-2)9-7-12/h3-10,16-17H,1H2,2H3,(H,21,24)(H2,20,22,25)/t16-,17-/m1/s1
SMILES: C[C@@H](C[N+]1(CCOCC1)C)OC[C@@H]2CCC[N+]3([C@H]2CCCC3)C
InChI: InChI=1S/C19H38N2O2/c1-17(15-20(2)11-13-22-14-12-20)23-16-18-7-6-10-21(3)9-5-4-8-19(18)21/h17-19H,4-16H2,1-3H3/q+2/t17-,18-,19-,21?/m0/s1
SMILES: C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CC[C@@H]4[C@@]3(CC(=O)[C@@H](C4(C)C)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO
InChI: InChI=1S/C30H50O6/c1-26(2)22-10-9-19-20(28(22,5)15-21(32)25(26)35)14-24(34)30(7)18(12-13-29(19,30)6)17(16-31)8-11-23(33)27(3,4)36/h17-18,22-25,31,33-36H,8-16H2,1-7H3/t17-,18+,22-,23+,24-,25-,28+,29-,30-/m0/s1
SMILES: C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI: InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
SMILES: CN1C(=NN=N1)SC2=C(N3[C@@H]4[C@H](C2)CN([C@@H]4C3=O)C(=O)NC5=CC=C(C=C5)C(=O)N)C(=O)O
InChI: InChI=1S/C19H18N8O5S/c1-25-19(22-23-24-25)33-11-6-9-7-26(14-12(9)27(16(14)29)13(11)17(30)31)18(32)21-10-4-2-8(3-5-10)15(20)28/h2-5,9,12,14H,6-7H2,1H3,(H2,20,28)(H,21,32)(H,30,31)/t9-,12-,14+/m1/s1
SMILES: CCCCN(CCCC)CCCC.C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI: InChI=1S/C12H27N.C9H13N2O9P/c1-4-7-10-13(11-8-5-2)12-9-6-3;12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4-12H2,1-3H3;1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t;4-,6-,7-,8-/m.1/s1
SMILES: CCOC(=O)C[C@]1(CCC=C2[C@@H]1CC[C@H]([C@]2(C)CC/C(=C/COC)/C)C)C
InChI: InChI=1S/C24H40O3/c1-7-27-22(25)17-23(4)14-8-9-21-20(23)11-10-19(3)24(21,5)15-12-18(2)13-16-26-6/h9,13,19-20H,7-8,10-12,14-17H2,1-6H3/b18-13+/t19-,20+,23-,24+/m1/s1
SMILES: CO[C@@]12[C@@H]3[C@H]4[C@H]5[C@H]6[C@H]3[C@H]7[C@@H]1[C@H]8[C@H]9[C@@]2([C@@H]4[C@@H]1[C@@H]9[C@@H]2[C@]8([C@H]7[C@]6([C@@]2([C@H]51)Br)OC)Br)Br
InChI: InChI=1S/C22H21Br3O2/c1-26-21-11-3-4-10-5-7-13(19(21,24)9(3)5)15-14(21)8-6(11)12(4)22(27-2)17(8)18(15,23)16(7)20(10,22)25/h3-17H,1-2H3/t3-,4+,5-,6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18+,19+,20-,21-,22+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H](C2=NC3=CC=CC=C3S2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
InChI: InChI=1S/C26H31NO11S/c28-10-14-17(29)19(31)21(33)25(36-14)35-11-15-18(30)20(32)22(34)26(37-15)38-23(12-6-2-1-3-7-12)24-27-13-8-4-5-9-16(13)39-24/h1-9,14-15,17-23,25-26,28-34H,10-11H2/t14-,15-,17-,18-,19+,20+,21-,22-,23-,25-,26+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)Cl
InChI: InChI=1S/C18H25ClN2O5S/c1-11-5-4-6-16(12(11)2)21-17(22)10-26-18(23)14-9-13(7-8-15(14)19)27(24,25)20-3/h7-9,11-12,16,20H,4-6,10H2,1-3H3,(H,21,22)/t11-,12+,16+/m0/s1
SMILES: CC(C)COC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC=C(C=C2)F
InChI: InChI=1S/C16H19FN2O2S/c1-9(2)8-21-15(20)13-10(3)18-16(22)19-14(13)11-4-6-12(17)7-5-11/h4-7,9,13-14H,3,8H2,1-2H3,(H2,18,19,22)/t13-,14+/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)[NH+]2CC[C@H](C2)C3=CC=CC=C3)O
InChI: InChI=1S/C16H23NO/c18-16-9-5-4-8-15(16)17-11-10-14(12-17)13-6-2-1-3-7-13/h1-3,6-7,14-16,18H,4-5,8-12H2/p+1/t14-,15-,16+/m1/s1
SMILES: COC1=CC=CC2=C1N[C@H]([C@@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H18ClNO/c1-22-17-7-3-6-16-14-4-2-5-15(14)18(21-19(16)17)12-8-10-13(20)11-9-12/h2-4,6-11,14-15,18,21H,5H2,1H3/t14-,15-,18-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=CC=C3[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H14Cl2N2O2/c19-10-7-8-14(15(20)9-10)17-12-4-1-3-11(12)13-5-2-6-16(22(23)24)18(13)21-17/h1-3,5-9,11-12,17,21H,4H2/t11-,12+,17+/m0/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CN([C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=CC=CC=C45)C(=O)NCCO)C(=O)CCCCC=C)C
InChI: InChI=1S/C32H44N2O5/c1-4-5-6-7-12-27(36)34(19-20-13-14-21-17-24(20)32(21,2)3)25-18-23(31(38)33-15-16-35)28-22-10-8-9-11-26(22)39-30(28)29(25)37/h4,8-11,18,20-21,24-25,28-30,35,37H,1,5-7,12-17,19H2,2-3H3,(H,33,38)/t20-,21-,24-,25+,28-,29-,30-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H30ClN3O3S/c1-15-4-3-5-19(16(15)2)22-20(25)14-23-10-12-24(13-11-23)28(26,27)18-8-6-17(21)7-9-18/h6-9,15-16,19H,3-5,10-14H2,1-2H3,(H,22,25)/p+1/t15-,16+,19+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3[C@H](CC4=CC=CC=C34)OC2=O
InChI: InChI=1S/C17H15NO4S/c1-11-6-8-13(9-7-11)23(20,21)18-16-14-5-3-2-4-12(14)10-15(16)22-17(18)19/h2-9,15-16H,10H2,1H3/t15-,16+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@H]4O)C)O)O
InChI: InChI=1S/C19H32O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,16+,17+,18-,19-/m0/s1
SMILES: CC(C)(C)OC(=O)[C@]12CCCN3[C@H]1[C@@H](CCC3=O)CN4[C@@H]2CCC(C4=O)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C24H34N2O8/c1-22(2,3)34-21(31)23-10-6-12-25-16(27)8-7-14(17(23)25)13-26-15(23)9-11-24(18(26)28,19(29)32-4)20(30)33-5/h14-15,17H,6-13H2,1-5H3/t14-,15+,17-,23-/m0/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)[C@]23[C@@H]4C[C@H]([C@H]2C(=O)C5=C(C3=O)C(=CC=C5)OC)C=C4
InChI: InChI=1S/C23H20O4S/c1-13-6-10-16(11-7-13)28(26)23-15-9-8-14(12-15)20(23)21(24)17-4-3-5-18(27-2)19(17)22(23)25/h3-11,14-15,20H,12H2,1-2H3/t14-,15+,20+,23-,28+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=C(C6=CC=CC=C56)O)C(=O)N(C4=O)C7=CC=CC=C7)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C37H30N2O5/c1-37-29(34(42)39(36(37)44)22-12-6-3-7-13-22)20-28-26(32(37)25-18-19-30(40)24-15-9-8-14-23(24)25)16-17-27-31(28)35(43)38(33(27)41)21-10-4-2-5-11-21/h2-16,18-19,27-29,31-32,40H,17,20H2,1H3/t27-,28+,29-,31-,32-,37+/m0/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@]34[C@@]2([C@H]5C6=CC=CC=C6[C@@H]3C7=C5C(=C(C(=C7F)F)F)F)C(=O)OC4=O
InChI: InChI=1S/C24H14F4O3/c25-17-13-14(18(26)20(28)19(17)27)16-12-4-2-1-3-11(12)15(13)23-9-5-7-10(8-6-9)24(16,23)22(30)31-21(23)29/h1-5,7,9-10,15-16H,6,8H2/t9-,10+,15+,16-,23-,24-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC(=O)NC1=CC=CC=C1)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H23N3O6/c1-12(23-17(25)14-9-5-6-10-15(14)18(23)26)19(27)29-11-16(24)22-20(28)21-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H2,21,22,24,28)/t12-,14-,15+/m0/s1
SMILES: CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)C
InChI: InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24-25,31H,8,10,12-18H2,1-7H3,(H,32,33)/t20-,21-,22-,24-,25-,28+,29-,30+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@@H]6C(=CCN7N6C(=O)N(C7=O)CCC8=NC9=CC(=C(C=C9N(C8=O)C)OC)OC)[C@@H]([C@@]5(C4=O)C)C1=C(C=CC(=C1)OC)O)C
InChI: InChI=1S/C46H43ClN8O9S/c1-22-26-16-23(47)8-11-37(26)65-40(22)31-20-38(51(4)49-31)54-41(57)28-18-32-25(39(46(28,2)43(54)59)27-17-24(62-5)9-10-34(27)56)12-15-53-44(60)52(45(61)55(32)53)14-13-29-42(58)50(3)33-21-36(64-7)35(63-6)19-30(33)48-29/h8-12,16-17,19-21,28,32,39,56H,13-15,18H2,1-7H3/t28-,32+,39+,46+/m0/s1
SMILES: CCOC(=O)C1=NN[C@@]2([C@@H]1C(=O)N(C2=O)C3=CC=CC=C3Br)C4=CC=C(C=C4)C
InChI: InChI=1S/C21H18BrN3O4/c1-3-29-19(27)17-16-18(26)25(15-7-5-4-6-14(15)22)20(28)21(16,24-23-17)13-10-8-12(2)9-11-13/h4-11,16,24H,3H2,1-2H3/t16-,21+/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)Cl)(CO)C(=O)OC
InChI: InChI=1S/C17H19ClN2O5/c1-3-20-14(22)11-12(15(20)23)17(8-21,16(24)25-2)19-13(11)9-4-6-10(18)7-5-9/h4-7,11-13,19,21H,3,8H2,1-2H3/t11-,12-,13+,17+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@H]2[C@H](NN3C(=NN=C3S2)C)C4=CC=C(C=C4)OC
InChI: InChI=1S/C20H20N4O2S/c1-12-4-6-15(7-5-12)18(25)19-17(14-8-10-16(26-3)11-9-14)23-24-13(2)21-22-20(24)27-19/h4-11,17,19,23H,1-3H3/t17-,19-/m1/s1
SMILES: CC(C)(C)OC(=O)N(C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O)S(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C24H33N5O9S/c1-24(2,3)38-23(33)29(14-18-17(30)13-20(37-18)28-11-10-19(25)26-22(28)32)39(34,35)27-16(21(31)36-4)12-15-8-6-5-7-9-15/h5-11,16-18,20,27,30H,12-14H2,1-4H3,(H2,25,26,32)/t16-,17-,18+,20+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)S
InChI: InChI=1S/C11H13NO6S/c13-9-8(19)5-17-11(10(9)14)18-7-3-1-6(2-4-7)12(15)16/h1-4,8-11,13-14,19H,5H2/t8-,9+,10-,11+/m1/s1
SMILES: CCOC(=O)[C@]12[C@]3(N4CN5C(=O)N6CN7C(=O)C8=C(C=CC=C8[N+](=O)[O-])C(=O)N7CN9[C@]6([C@]5(N(C9=O)CN3C(=O)N1CN1C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)N1CN2C4=O)C(=O)OCC)C(=O)OCC)C(=O)OCC
InChI: InChI=1S/C42H38N14O20/c1-5-73-31(61)39-41(33(63)75-7-3)47-17-51-27(57)21-11-9-13-23(55(69)70)25(21)29(59)53(51)19-49(41)37(67)45(39)16-44-36(66)48-18-52-28(58)22-12-10-14-24(56(71)72)26(22)30(60)54(52)20-50-38(68)46(15-43(39)35(47)65)40(44,32(62)74-6-2)42(48,50)34(64)76-8-4/h9-14H,5-8,15-20H2,1-4H3/t39-,40-,41+,42+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=C(C=C5)O)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C
InChI: InChI=1S/C31H25NO6/c1-15-13-25(35)28-24(29(15)36)14-23-21(26(28)18-5-9-20(34)10-6-18)11-12-22-27(23)31(38)32(30(22)37)19-7-3-17(4-8-19)16(2)33/h3-11,13,22-23,26-27,34H,12,14H2,1-2H3/t22-,23+,26-,27-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@]3([C@@H]2C(=O)C4=CC5=C(C=C4O3)OCO5)C)(C)C
InChI: InChI=1S/C22H28O4/c1-20(2)7-5-8-21(3)17(20)6-9-22(4)19(21)18(23)13-10-15-16(25-12-24-15)11-14(13)26-22/h10-11,17,19H,5-9,12H2,1-4H3/t17-,19+,21-,22-/m0/s1
SMILES: CC1(O[C@H]([C@H](O1)/C=C\2/C(=O)C(=C[C@@]23[C@H](OC(O3)(C)C)CCCCC4=CC=CC=C4)Br)CCCC(=O)OC)C
InChI: InChI=1S/C30H39BrO7/c1-28(2)35-23(15-11-17-26(32)34-5)24(36-28)18-21-27(33)22(31)19-30(21)25(37-29(3,4)38-30)16-10-9-14-20-12-7-6-8-13-20/h6-8,12-13,18-19,23-25H,9-11,14-17H2,1-5H3/b21-18-/t23-,24+,25+,30-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N(CC[Se]C2=CC=CC=C2)CC=C(C)C
InChI: InChI=1S/C23H37NOSe/c1-18(2)13-14-24(15-16-26-20-9-7-6-8-10-20)23(4,5)21-12-11-19(3)17-22(21)25/h6-10,13,19,21-22,25H,11-12,14-17H2,1-5H3/t19-,21-,22-/m1/s1
SMILES: C1=C(C(=NC(=O)N1[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)F)N)I
InChI: InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/m0/s1
SMILES: COC1=C(C=C(C=C1)C[C@H]2COC([C@@H]2CC3=CC4=C(C=C3)OCO4)O)OC
InChI: InChI=1S/C21H24O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16+,21?/m0/s1
SMILES: C1C[C@H]([C@@H](C[C@H]1CS(=O)(=O)O)CS(=O)(=O)O)CS(=O)(=O)O
InChI: InChI=1S/C9H18O9S3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t7-,8-,9-/m0/s1
SMILES: CC[NH+](CC(=O)N[C@@H]1CCCC[C@@H]1C)CC(=O)NC2=CC=C(C=C2)NC(=O)C
InChI: InChI=1S/C21H32N4O3/c1-4-25(14-21(28)24-19-8-6-5-7-15(19)2)13-20(27)23-18-11-9-17(10-12-18)22-16(3)26/h9-12,15,19H,4-8,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)/p+1/t15-,19+/m0/s1
SMILES: C[C@H]1[C@@H]([C@](C[C@H]([C@@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)NC(=O)OC)(C)C=C)O
InChI: InChI=1S/C23H35NO6/c1-7-21(4)12-16(30-20(28)24-19(27)29-6)22(5)13(2)8-10-23(14(3)18(21)26)11-9-15(25)17(22)23/h7,13-14,16-18,26H,1,8-12H2,2-6H3,(H,24,27,28)/t13?,14-,16+,17-,18-,21+,22+,23-/m0/s1
SMILES: C#CCO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=NC(=NC(=C4)N)N)C(=O)O
InChI: InChI=1S/C20H19N9O5S3/c1-2-3-34-28-12(9-7-37-20(23)24-9)15(30)27-13-16(31)29-14(18(32)33)8(6-36-17(13)29)5-35-11-4-10(21)25-19(22)26-11/h1,4,7,13,17H,3,5-6H2,(H2,23,24)(H,27,30)(H,32,33)(H4,21,22,25,26)/b28-12-/t13-,17-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC(=C(C=C3)F)F
InChI: InChI=1S/C17H18F2N2O3/c18-13-6-5-10(9-14(13)19)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h5-6,9,11-12H,1-4,7-8H2,(H,20,22)/t11-,12+
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@]23[C@@H]4CCN([C@H]2[C@](C[C@H]4CN3C(=O)O1)(CCCC=C)COCOC)CCCCCC=C
InChI: InChI=1S/C33H58N2O5Si/c1-9-11-13-14-16-19-34-20-17-27-26-21-32(18-15-12-10-2,24-38-25-37-6)29(34)33(27)28(40-30(36)35(33)22-26)23-39-41(7,8)31(3,4)5/h9-10,26-29H,1-2,11-25H2,3-8H3/t26-,27+,28+,29-,32-,33+/m0/s1
SMILES: C/C=C/[C@@H]1[C@@H]2[C@@H]([C@](CO1)([C@@H](C=C2C)C)CO)C
InChI: InChI=1S/C15H24O2/c1-5-6-13-14-10(2)7-11(3)15(8-16,9-17-13)12(14)4/h5-7,11-14,16H,8-9H2,1-4H3/b6-5+/t11-,12+,13-,14+,15-/m1/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]2[C@H]([C@@H](O1)OC)N(C(=O)O2)C(=O)C)O
InChI: InChI=1S/C18H33NO7Si/c1-10(2)18(4,5)27(7,8)24-9-12-14(21)15-13(16(23-6)25-12)19(11(3)20)17(22)26-15/h10,12-16,21H,9H2,1-8H3/t12-,13-,14-,15-,16-/m1/s1
SMILES: C[C@H](CN=C(C)C1[C@H]2[C@H](C2(C)C)CC1=O)N=C(C)C3[C@H]4[C@H](C4(C)C)CC3=O
InChI: InChI=1S/C23H34N2O2/c1-11(25-13(3)19-17(27)9-15-21(19)23(15,6)7)10-24-12(2)18-16(26)8-14-20(18)22(14,4)5/h11,14-15,18-21H,8-10H2,1-7H3/t11-,14-,15-,18?,19?,20-,21-/m1/s1
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C20H22ClFN2O2/c1-12-17(19(23-26-12)18-15(21)7-4-8-16(18)22)20(25)24-10-9-13-5-2-3-6-14(13)11-24/h4,7-8,13-14H,2-3,5-6,9-11H2,1H3/t13-,14+/m0/s1
SMILES: CCCC1CC(N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl
InChI: InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10?,11?,12?,13-,14+,15+,16+,18+/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@@H](C(=C)CCC2[C@]1(C)OC(=O)C)CC(C3=CCOC3=O)N(CC4=CC=CC=C4)C(=O)CCl)C
InChI: InChI=1S/C32H40ClNO7/c1-20-11-12-27-31(4,15-13-28(40-21(2)35)32(27,5)41-22(3)36)25(20)17-26(24-14-16-39-30(24)38)34(29(37)18-33)19-23-9-7-6-8-10-23/h6-10,14,25-28H,1,11-13,15-19H2,2-5H3/t25-,26?,27?,28-,31+,32+/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CCC1=CC(=CC=C1)F)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C37H49FN2O7/c1-3-4-5-6-7-8-9-10-11-15-32(43)40(18-16-25-13-12-14-27(38)20-25)30-23-29(37(45)39-17-19-41)33-28-21-26(24-42)22-31(46-2)35(28)47-36(33)34(30)44/h12-14,20-24,30,33-34,36,41,44H,3-11,15-19H2,1-2H3,(H,39,45)/t30-,33+,34+,36+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC2=NC(=C([C@H](C2C1=O)C3=C(C(=CC=C3)OC)OC)C(=O)OCC)C)C4=CC=CC=C4OC
InChI: InChI=1S/C31H35NO8/c1-7-39-30(34)24-17(3)32-21-16-20(18-12-9-10-14-22(18)36-4)26(31(35)40-8-2)28(33)27(21)25(24)19-13-11-15-23(37-5)29(19)38-6/h9-15,20,25-27H,7-8,16H2,1-6H3/t20-,25+,26-,27?/m0/s1
SMILES: COC1=CC2=C(C(=C1)OC)N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C22H23NO4/c1-25-15-11-18-16-5-4-6-17(16)20(23-21(18)19(12-15)26-2)13-7-9-14(10-8-13)22(24)27-3/h4-5,7-12,16-17,20,23H,6H2,1-3H3/t16-,17+,20+/m0/s1
SMILES: CC[C@@]1([C@]2([C@@]1(C(N=C2N)(OC)OC)C#N)C#N)C3=CC=C(C=C3)Br
InChI: InChI=1S/C17H17BrN4O2/c1-4-14(11-5-7-12(18)8-6-11)15(9-19)13(21)22-17(23-2,24-3)16(14,15)10-20/h5-8H,4H2,1-3H3,(H2,21,22)/t14-,15-,16+/m0/s1
SMILES: CN\1[C@@H]2C=CC=C[C@@H]2C=C/C1=C\C3=[N+](C4=CC=CC=C4C=C3)C
InChI: InChI=1S/C21H21N2/c1-22-18(13-11-16-7-3-5-9-20(16)22)15-19-14-12-17-8-4-6-10-21(17)23(19)2/h3-16,20H,1-2H3/q+1/t16-,20-/m1/s1
SMILES: CC(C)CC(CC(=O)NO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)N
InChI: InChI=1S/C35H58N10O10S/c1-20(2)14-21(15-27(47)44-55)33(52)40-18-30(50)45-13-7-9-24(45)34(53)39-16-28(48)38-17-29(49)41-22(32(36)51)8-5-6-12-37-26(46)11-4-3-10-25-31-23(19-56-25)42-35(54)43-31/h20-25,31,55H,3-19H2,1-2H3,(H2,36,51)(H,37,46)(H,38,48)(H,39,53)(H,40,52)(H,41,49)(H,44,47)(H2,42,43,54)/t21?,22-,23-,24-,25-,31-/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)NC45CC6CC(C4)CC(C6)C5)CN7CCC8=CC(=C(C=C8C7)OC)OC
InChI: InChI=1S/C41H51N3O6/c1-25-37(23-44-12-11-31-17-35(47-2)36(48-3)18-33(31)22-44)49-39(50-38(25)30-9-7-26(24-45)8-10-30)32-5-4-6-34(16-32)42-40(46)43-41-19-27-13-28(20-41)15-29(14-27)21-41/h4-10,16-18,25,27-29,37-39,45H,11-15,19-24H2,1-3H3,(H2,42,43,46)/t25-,27?,28?,29?,37+,38+,39+,41?/m1/s1
SMILES: C1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)NC2=CC=C(C=C2)[N+](=O)[O-])CO
InChI: InChI=1S/C12H16N2O6/c15-6-9-5-10(16)11(17)12(20-9)13-7-1-3-8(4-2-7)14(18)19/h1-4,9-13,15-17H,5-6H2/t9-,10-,11+,12+/m1/s1
SMILES: CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)COC(=O)[C@@H]2C[C@@H]2C)C
InChI: InChI=1S/C16H20N2O7/c1-4-23-16(22)11-8(3)25-14(12(11)13(17)20)18-10(19)6-24-15(21)9-5-7(9)2/h7,9H,4-6H2,1-3H3,(H2,17,20)(H,18,19)/t7-,9+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2C3=CC=C(C=C3)OC)CCCCCCC4=CC=CC=C4
InChI: InChI=1S/C29H33NO3/c1-32-25-18-14-23(15-19-25)28-27(13-9-4-3-6-10-22-11-7-5-8-12-22)29(31)30(28)24-16-20-26(33-2)21-17-24/h5,7-8,11-12,14-21,27-28H,3-4,6,9-10,13H2,1-2H3/t27-,28+/m0/s1
SMILES: CC1(O[C@@H]2C[C@@]3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)C(=C[C@H]2O1)C(=O)N(C)C)C
InChI: InChI=1S/C26H28N2O4/c1-25(2)31-21-14-19(23(29)27(3)4)26(15-22(21)32-25)18-12-8-9-13-20(18)28(24(26)30)16-17-10-6-5-7-11-17/h5-14,21-22H,15-16H2,1-4H3/t21-,22-,26-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(C)C
InChI: InChI=1S/C22H28O6/c1-14(2)17-7-4-15(3)10-19(17)28-22(24)12-25-21(23)9-6-16-5-8-18-20(11-16)27-13-26-18/h5-6,8-9,11,14-15,17,19H,4,7,10,12-13H2,1-3H3/b9-6+/t15-,17+,19+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)NC(=O)[C@H](N2C(=O)NC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C23H26N4O3/c28-21(24-16-9-3-1-4-10-16)15-20-22(29)26-18-13-7-8-14-19(18)27(20)23(30)25-17-11-5-2-6-12-17/h1-6,9-12,18-20H,7-8,13-15H2,(H,24,28)(H,25,30)(H,26,29)/t18-,19-,20-/m1/s1
SMILES: CC(C)[C@@]1([C@H]2C(=O)C3=CC=CC=C3[C@](O2)(O1)OC)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C22H22O6/c1-14(2)21(20(24)26-13-15-9-5-4-6-10-15)19-18(23)16-11-7-8-12-17(16)22(25-3,27-19)28-21/h4-12,14,19H,13H2,1-3H3/t19-,21-,22+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCC6(CC5)OCCO6)C)C)[N+]7(CCCC7)CC=C.[Br-]
InChI: InChI=1S/C35H57N2O5.BrH/c1-5-16-37(17-6-7-18-37)30-22-28-26-9-8-25-21-31(39)29(36-14-12-35(13-15-36)40-19-20-41-35)23-34(25,4)27(26)10-11-33(28,3)32(30)42-24(2)38;/h5,25-32,39H,1,6-23H2,2-4H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C18H34O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h5-30H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1
SMILES: CCC(CC)C(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=CC=CC=C3OC
InChI: InChI=1S/C18H24N2O4S2/c1-4-12(5-2)17(21)19-18-20(13-8-6-7-9-15(13)24-3)14-10-26(22,23)11-16(14)25-18/h6-9,12,14,16H,4-5,10-11H2,1-3H3/t14-,16+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)OCOC
InChI: InChI=1S/C32H40O10S/c1-23-14-16-27(17-15-23)43(34,35)41-21-26(40-22-36-2)18-28-29(33)30(38-19-24-10-6-4-7-11-24)31(32(37-3)42-28)39-20-25-12-8-5-9-13-25/h4-17,26,28-33H,18-22H2,1-3H3/t26-,28+,29+,30-,31+,32-/m0/s1
SMILES: C[C@H]1C(=O)C[C@]2([C@@]1(CC[C@@H]2C(C)C)CCC(=C)I)C
InChI: InChI=1S/C17H27IO/c1-11(2)14-7-9-17(8-6-12(3)18)13(4)15(19)10-16(14,17)5/h11,13-14H,3,6-10H2,1-2,4-5H3/t13-,14+,16+,17+/m0/s1
SMILES: CC[C@H](C)[C@H](C(=O)O)N1C[C@@H]([C@H](C1)C2=CC(=CC=C2)F)CN3CCC(CC3)C4=CC(=NN4CC)CC5=CC(=C(C=C5)OC)OC
InChI: InChI=1S/C36H49FN4O4/c1-6-24(3)35(36(42)43)40-22-28(31(23-40)27-9-8-10-29(37)19-27)21-39-15-13-26(14-16-39)32-20-30(38-41(32)7-2)17-25-11-12-33(44-4)34(18-25)45-5/h8-12,18-20,24,26,28,31,35H,6-7,13-17,21-23H2,1-5H3,(H,42,43)/t24-,28-,31+,35+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC6=CC=CC=C6N=C5Cl
InChI: InChI=1S/C27H20ClN3O3/c1-16-11-13-18(14-12-16)30-26(32)22-23(20-15-17-7-5-6-10-21(17)29-25(20)28)31(34-24(22)27(30)33)19-8-3-2-4-9-19/h2-15,22-24H,1H3/t22-,23-,24-/m0/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)C
InChI: InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)O)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C18H17NO3/c1-22-15-10-8-14(9-11-15)19-16(17(20)18(19)21)12-7-13-5-3-2-4-6-13/h2-12,16-17,20H,1H3/b12-7+/t16-,17-/m0/s1
SMILES: CC(=O)NC1[C@H]([C@H]2[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)OC3(O2)CCCCC3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H49NO5Si2/c1-17(27)26-18-19(30-32(8,9)23(2,3)4)21-22(20(18)31-33(10,11)24(5,6)7)29-25(28-21)15-13-12-14-16-25/h18-22H,12-16H2,1-11H3,(H,26,27)/t18?,19-,20+,21+,22-
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(CC[C@@H](C4)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@@H]6CCCN6C(=O)C7C=CN(C=C7)C)C)C
InChI: InChI=1S/C59H89N5O8/c1-38(2)14-12-15-39(3)46-24-25-47-45-23-20-42-37-44(26-30-58(42,7)48(45)27-31-59(46,47)8)71-55(69)49(16-10-11-32-60-56(70)72-57(4,5)6)61-52(66)50(36-40-18-21-43(65)22-19-40)62-53(67)51-17-13-33-64(51)54(68)41-28-34-63(9)35-29-41/h18-22,28-29,34-35,38-39,41,44-51,65H,10-17,23-27,30-33,36-37H2,1-9H3,(H,60,70)(H,61,66)(H,62,67)/t39-,44+,45+,46-,47+,48+,49+,50+,51+,58+,59-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C[NH+]3CCC4=C([C@H]3C5=CC=CS5)C=CS4
InChI: InChI=1S/C20H22N2O2S2/c23-19-13-4-1-2-5-14(13)20(24)22(19)12-21-9-7-16-15(8-11-26-16)18(21)17-6-3-10-25-17/h3,6,8,10-11,13-14,18H,1-2,4-5,7,9,12H2/p+1/t13-,14+,18-/m0/s1
SMILES: CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCC[C@@H]5[C@H]4CCCC5
InChI: InChI=1S/C24H27N3O2S/c1-16-8-10-17(11-9-16)19-14-30-23-22(19)24(29)26(15-25-23)13-21(28)27-12-4-6-18-5-2-3-7-20(18)27/h8-11,14-15,18,20H,2-7,12-13H2,1H3/t18-,20-/m1/s1
SMILES: C[C@H](CCC=C(C)C)[C@H]1C[C@@H]([C@H]2[C@@]1(CC[C@H]3[C@@H]2CC(=O)O3)C)O
InChI: InChI=1S/C20H32O3/c1-12(2)6-5-7-13(3)15-11-16(21)19-14-10-18(22)23-17(14)8-9-20(15,19)4/h6,13-17,19,21H,5,7-11H2,1-4H3/t13-,14+,15-,16+,17+,19+,20-/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2CCCC2
InChI: InChI=1S/C16H24N2O6/c1-10-6-14(19)12(13(10)8-18(22)23)7-16(21)24-9-15(20)17-11-4-2-3-5-11/h10-13H,2-9H2,1H3,(H,17,20)/t10-,12+,13+/m0/s1