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quick list of smiles
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| String smiles = "c1cccn1c2cccn2"; | |
| String smiles = "[H]c2c([H])c(c1c(nc(n1([H]))C(F)(F)F)c2Cl)Cl"; | |
| String smiles = "COC(=O)c2ccc3n([H])c1ccccc1c3(c2)"; | |
| String smiles = "c2cc1cccn1cc2"; | |
| String smiles = "c1c(c23)ccc(c34)ccc4ccc2c1"; | |
| String smiles = "Cc1cccc2sc3nncn3c12"; | |
| String smiles = "O=n1ccccc1"; | |
| String smiles = "[O-][n+]1ccccc1"; | |
| String smiles = "[Cl+3]([O-])([O-])([O-])[O-].[P+]([O-])(c1ccccc1)(c1ccccc1)c1cc([nH0+](C)c(c1)c1ccccc1)c1ccccc1"; | |
| String smiles = "c1(Cl)cc2c3cc(Cl)c(Cl)cc3c2cc1Cl"; | |
| String smiles = "c(c(ccc1)ccc2)(c1c(c3ccc4)c4)c23"; | |
| String smiles = "c2ccc1cc3c(cc1c2)c4cccc5cccc3c45"; | |
| String smiles = "Nc1c(c23)cccc3c4ccccc4c2cc1"; | |
| String smiles = "c12ccccc1cc3c4ccccc4c5c3c2ccc5"; | |
| String smiles = "c1c(c23)ccc(c34)ccc4ccc2c1"; | |
| String smiles = "C1=CC2=C3C(=CC=C4C3=C1C=C4)C=C2"; | |
| String smiles = "Cc1cccc2sc3nncn3c12"; | |
| String smiles = "c1ccc4c(c1)ccc5c3ccc2ccccc2c3[nH]c45"; | |
| String smiles = "c2cc1cccn1cc2"; | |
| String smiles = "C1c2c(c3c(c(O)cnc3)cc2)CC(=O)C1"; | |
| String smiles = "O=C(O3)C1=COC(OC4OC(CO)C(O)C(O)C4O)C2C1C3C=C2COC(C)=O"; | |
| String smiles = "CN1C=NC2=C1C(N(C)C(N2C)=O)=O"; | |
| String smiles = "CN(C)CCC2=CNC1=CC=CC(OP(O)(O)=O)=C12"; | |
| String smiles = "O=C(O)C1C(OC(C3=CC=CC=C3)=O)CC2N(C)C1CC2"; | |
| String smiles = "C1(C2(C)(C))C(C)=CCC2C1"; | |
| String smiles = "C1(C=C(C=C(C=C(C=C(C=CC%35=C%36)C%31=C%35C%32=C%33C%36=C%34)C%22=C%31C%23=C%32C%24=C%25C%33=C%26C%34=CC%27=CC%28=CC=C%29)C%14=C%22C%15=C%23C%16=C%24C%17=C%18C%25=C%19C%26=C%27C%20=C%28C%29=C%21)C6=C%14C7=C%15C8=C%16C9=C%17C%12=C%11C%18=C%10C%19=C%20C%21=CC%10=CC%11=CC(C=C%30)=C%12%13)=C(C6=C(C7=C(C8=C(C9=C%13C%30=C5)C5=C4)C4=C3)C3=C2)C2=CC=C1"; | |
| String smiles = "CC1(C(=C(CC(C1)O)C)C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(CC(CC1(C)C)O)C)C)C)C)C)C"; | |
| String smiles = "NC(C(C)C)C(NC(C(C)O)C(NC(C(C)C)C(NC(CCC(N)=O)C(NC(CC([O-])[O-])C(NCC(NC(CC(N)=O)C(NC(Cc1ccccc1)C(NC(CO)C(NC(Cc2ccccc2)C(NC(CO)C(NC(CC(C)C)C(NC(CCC([O-])[O-])C(NC(CO)C(NC(C(C)C)C(NC(CCCC[N+])C(NC(CCCC[N+])C(NC(CC(C)C)C(NC(CCCC[N+])C(NC(CC([O-])[O-])C(NC(CC(C)C)C(NC(CCC(N)=O)C(NC(CCC([O-])[O-])C(N3CCCC3C(NC(CCC(N)=O)C(NC(CCC([O-])[O-])C(N4CCCC4C(NC(CCCNC([N+])[N+])C(NC(C(C)C)C(NCC(NC(CCCC[N+])C(NC(CC(C)C)C(NC(CCCNC([N+])[N+])C(NC(CC(N)=O)C(NC(Cc5ccccc5)C(NC(C)C(N6CCCC6C(NC(C(C)CC)C(N7CCCC7C(NCC(NC(CCC([O-])[O-])C(N8CCCC8C(NC(C(C)C)C(NC(C(C)C)C(N9CCCC9C(NC(C(C)CC)C(NC(CC(C)C)C(NC%19C[S][S]CC(C(NC(CCCC[N+])C(NC(CCC([O-])[O-])C(N%10CCCC%10C(NC(CC(N)=O)C(NC(C)C(NC(CCC(N)=O)C(NC(CCC([O-])[O-])C(NC(C(C)CC)C(NC(CC(C)C)C(NC(CCC(N)=O)C(NC(CCCNC([N+])[N+])C(NC(CC(C)C)C(NC(CCC([O-])[O-])C(NC(CCC([O-])[O-])C(NC(C(C)CC)C(NC(C)C(NC(CCC([O-])[O-])C(NC(CC([O-])[O-])C(N%11CCCC%11C(NCC(NC(C(C)O)C(NC%14C[S][S]CC%13C(NC(C(C)O)C(NCC(NC(C[S][S]CC(C(NC(C)C(NC(Cc%12ccc(O)cc%12)C(NC(C)C(NC(C)C(N%13)=O)=O)=O)=O)=O)NC(=O)C(C(C)CC)NC(=O)C(CCC([O-])[O-])NC%14=O)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC(=O)C(CC(C)C)NC(=O)C%15CCCN%15C(=O)C(CCCC[N+])NC(=O)C(CC(C)C)NC(=O)C(CCC([O-])[O-])NC(=O)C(CCC([O-])[O-])NC(=O)C%16CCCN%16C(=O)C(Cc%17ccccc%17)NC(=O)C(CC(N)=O)NC(=O)C%18CCCN%18C(=O)C(CC(N)=O)NC(=O)C(CO)NC%19=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O"; | |
| String smiles = "S(=O)(=O)(-O)-c1c2c(c(ccc2-N-c2ccccc2)-N=N-c2c3c(c(cc2)-N=N-c2c4c(c(ccc4)-S(=O)(=O)-O)ccc2)cccc3)ccc1"; | |
| String smiles = "n12:n:n:n:c:2:c:c:c:c:1"; | |
| String smiles = "c1cc[c-]c1"; | |
| String smiles = "c1ccccc1"; | |
| String smiles = "CC1(C(=C(CC(C1)O)C)C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(CC(CC1(C)C)O)C)C)C)C)C)C"; | |
| String smiles = "CC(C(C8CCC(CC8)=O)C3C4C(CC5(CCC(C9=CC(C=CN%10)=C%10C=C9)CCCC5)C4)C2CCC1CCC7(CCC7)C6(CC6)C1C2C3)=O"; | |
| String smiles = "CC1=CCC2CC1C(C)2C"; | |
| String smiles = "[Na+]"; | |
| String smiles = "[K+]"; | |
| String smiles = "[Ni+2]"; | |
| String smiles = "[13C]"; | |
| String smiles = "[OH-]"; | |
| String smiles = "[Na+].[OH-]"; | |
| String smiles = "C-C"; | |
| String smiles = "c1cc-2c(cc1)C(c3c4c2onc4c(cc3N5CCCC5)N6CCCC6)=O"; | |
| String smiles = "*C"; | |
| String smiles = "[12*H2-]"; | |
| String smiles = "CC"; | |
| String smiles = "c1cScc1"; | |
| String smiles = "[H+]"; | |
| String smiles = "C.C.N.[Co].C.C.C.[H].[He].[H].[H].[H].[H].C.C.[H].[H].[H].[H].[H]"; | |
| String smiles = "[H]"; | |
| String smiles = "[H][O+]([H])[H]"; | |
| String smiles = "Nc4cc3[n+](c2c(c1c(cccc1)cc2)nc3c5c4cccc5)c6c7c(ccc6)cccc7"; | |
| String smiles = "[c+]1ccccc1"; | |
| String smiles = "c1ccc[NH]1"; | |
| String smiles = "c1ccc[NH]1"; | |
| String smiles = "[CH2]CNC"; | |
| String smiles = "Cn1cccc1"; | |
| String smiles = "[cH-]1cccc1"; | |
| String smiles = "Nc1ncnc2[nH]cnc12"; | |
| String smiles = "C"; | |
| String smiles = "[W]"; | |
| String smiles = "CC"; | |
| String smiles = "C=C"; | |
| String smiles = "C#C"; | |
| String smiles = "CCC"; | |
| String smiles = "C1CCCCC1"; | |
| String smiles = "c1=cc=cc=c1"; | |
| String smiles = "c1ccccc1"; | |
| String smiles = "CC=CBr"; | |
| String smiles = "C=%10C=CC=C%02C=%10N(C)CCC%02"; | |
| String smiles = "c1ccccc1C1=CC=CC=C1"; | |
| String smiles2 = "C%21=%01C=CC=C%02C=%01N(C)CCC%02.C%21c%02ccccc%02"; | |
| String smiles = "C=1C=CC=CC=1"; | |
| String smiles = "[C-]#[O+]"; | |
| String smiles = "CS(=O)(=O)[O-].[Na+]"; | |
| String smiles = "[F+]=C-[C-]"; | |
| String smiles = "[s+]1c2c(nc3c1cccc3)cccc2"; | |
| String smiles = "[nH]1cccc1"; | |
| String smiles = "n1([H])cccc1"; | |
| String smiles = "n1cccc1"; | |
| String smiles = "[n-]1cccc1"; | |
| String smiles = "[nH]1cncc1"; | |
| String smiles = "n1([H])cncc1"; | |
| String smiles = "n1cncc1"; | |
| String smiles = "n1cc[nH]c1"; | |
| String smiles = "n1ccccc1"; | |
| String smiles = "n1cnccc1"; | |
| String smiles1 = "c1ccc2cc[nH]c2(c1)"; | |
| String smiles1 = "C1(NC=C2)=C2C=CC=C1"; | |
| String smiles = "[H]B1([H])HB([H]1)([H])[H]"; |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| c1cccn1c2cccn2 | |
| [H]c2c([H])c(c1c(nc(n1([H]))C(F)(F)F)c2Cl)Cl | |
| COC(=O)c2ccc3n([H])c1ccccc1c3(c2) | |
| c2cc1cccn1cc2 | |
| c1c(c23)ccc(c34)ccc4ccc2c1 | |
| Cc1cccc2sc3nncn3c12 | |
| O=n1ccccc1 | |
| [O-][n+]1ccccc1 | |
| [Cl+3]([O-])([O-])([O-])[O-].[P+]([O-])(c1ccccc1)(c1ccccc1)c1cc([nH0+](C)c(c1)c1ccccc1)c1ccccc1 | |
| c1(Cl)cc2c3cc(Cl)c(Cl)cc3c2cc1Cl | |
| c(c(ccc1)ccc2)(c1c(c3ccc4)c4)c23 | |
| c2ccc1cc3c(cc1c2)c4cccc5cccc3c45 | |
| Nc1c(c23)cccc3c4ccccc4c2cc1 | |
| c12ccccc1cc3c4ccccc4c5c3c2ccc5 | |
| c1c(c23)ccc(c34)ccc4ccc2c1 | |
| C1=CC2=C3C(=CC=C4C3=C1C=C4)C=C2 | |
| Cc1cccc2sc3nncn3c12 | |
| c1ccc4c(c1)ccc5c3ccc2ccccc2c3[nH]c45 | |
| c2cc1cccn1cc2 | |
| C1c2c(c3c(c(O)cnc3)cc2)CC(=O)C1 | |
| O=C(O3)C1=COC(OC4OC(CO)C(O)C(O)C4O)C2C1C3C=C2COC(C)=O | |
| CN1C=NC2=C1C(N(C)C(N2C)=O)=O | |
| CN(C)CCC2=CNC1=CC=CC(OP(O)(O)=O)=C12 | |
| O=C(O)C1C(OC(C3=CC=CC=C3)=O)CC2N(C)C1CC2 | |
| C1(C2(C)(C))C(C)=CCC2C1 | |
| C1(C=C(C=C(C=C(C=C(C=CC%35=C%36)C%31=C%35C%32=C%33C%36=C%34)C%22=C%31C%23=C%32C%24=C%25C%33=C%26C%34=CC%27=CC%28=CC=C%29)C%14=C%22C%15=C%23C%16=C%24C%17=C%18C%25=C%19C%26=C%27C%20=C%28C%29=C%21)C6=C%14C7=C%15C8=C%16C9=C%17C%12=C%11C%18=C%10C%19=C%20C%21=CC%10=CC%11=CC(C=C%30)=C%12%13)=C(C6=C(C7=C(C8=C(C9=C%13C%30=C5)C5=C4)C4=C3)C3=C2)C2=CC=C1 | |
| CC1(C(=C(CC(C1)O)C)C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(CC(CC1(C)C)O)C)C)C)C)C)C | |
| NC(C(C)C)C(NC(C(C)O)C(NC(C(C)C)C(NC(CCC(N)=O)C(NC(CC([O-])[O-])C(NCC(NC(CC(N)=O)C(NC(Cc1ccccc1)C(NC(CO)C(NC(Cc2ccccc2)C(NC(CO)C(NC(CC(C)C)C(NC(CCC([O-])[O-])C(NC(CO)C(NC(C(C)C)C(NC(CCCC[N+])C(NC(CCCC[N+])C(NC(CC(C)C)C(NC(CCCC[N+])C(NC(CC([O-])[O-])C(NC(CC(C)C)C(NC(CCC(N)=O)C(NC(CCC([O-])[O-])C(N3CCCC3C(NC(CCC(N)=O)C(NC(CCC([O-])[O-])C(N4CCCC4C(NC(CCCNC([N+])[N+])C(NC(C(C)C)C(NCC(NC(CCCC[N+])C(NC(CC(C)C)C(NC(CCCNC([N+])[N+])C(NC(CC(N)=O)C(NC(Cc5ccccc5)C(NC(C)C(N6CCCC6C(NC(C(C)CC)C(N7CCCC7C(NCC(NC(CCC([O-])[O-])C(N8CCCC8C(NC(C(C)C)C(NC(C(C)C)C(N9CCCC9C(NC(C(C)CC)C(NC(CC(C)C)C(NC%19C[S][S]CC(C(NC(CCCC[N+])C(NC(CCC([O-])[O-])C(N%10CCCC%10C(NC(CC(N)=O)C(NC(C)C(NC(CCC(N)=O)C(NC(CCC([O-])[O-])C(NC(C(C)CC)C(NC(CC(C)C)C(NC(CCC(N)=O)C(NC(CCCNC([N+])[N+])C(NC(CC(C)C)C(NC(CCC([O-])[O-])C(NC(CCC([O-])[O-])C(NC(C(C)CC)C(NC(C)C(NC(CCC([O-])[O-])C(NC(CC([O-])[O-])C(N%11CCCC%11C(NCC(NC(C(C)O)C(NC%14C[S][S]CC%13C(NC(C(C)O)C(NCC(NC(C[S][S]CC(C(NC(C)C(NC(Cc%12ccc(O)cc%12)C(NC(C)C(NC(C)C(N%13)=O)=O)=O)=O)=O)NC(=O)C(C(C)CC)NC(=O)C(CCC([O-])[O-])NC%14=O)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC(=O)C(CC(C)C)NC(=O)C%15CCCN%15C(=O)C(CCCC[N+])NC(=O)C(CC(C)C)NC(=O)C(CCC([O-])[O-])NC(=O)C(CCC([O-])[O-])NC(=O)C%16CCCN%16C(=O)C(Cc%17ccccc%17)NC(=O)C(CC(N)=O)NC(=O)C%18CCCN%18C(=O)C(CC(N)=O)NC(=O)C(CO)NC%19=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O | |
| S(=O)(=O)(-O)-c1c2c(c(ccc2-N-c2ccccc2)-N=N-c2c3c(c(cc2)-N=N-c2c4c(c(ccc4)-S(=O)(=O)-O)ccc2)cccc3)ccc1 | |
| n12:n:n:n:c:2:c:c:c:c:1 | |
| c1cc[c-]c1 | |
| c1ccccc1 | |
| CC1(C(=C(CC(C1)O)C)C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(CC(CC1(C)C)O)C)C)C)C)C)C | |
| CC(C(C8CCC(CC8)=O)C3C4C(CC5(CCC(C9=CC(C=CN%10)=C%10C=C9)CCCC5)C4)C2CCC1CCC7(CCC7)C6(CC6)C1C2C3)=O | |
| CC1=CCC2CC1C(C)2C | |
| [Na+] | |
| [K+] | |
| [Ni+2] | |
| [13C] | |
| [OH-] | |
| [Na+].[OH-] | |
| C-C | |
| c1cc-2c(cc1)C(c3c4c2onc4c(cc3N5CCCC5)N6CCCC6)=O | |
| *C | |
| [12*H2-] | |
| CC | |
| c1cScc1 | |
| [H+] | |
| C.C.N.[Co].C.C.C.[H].[He].[H].[H].[H].[H].C.C.[H].[H].[H].[H].[H] | |
| [H] | |
| [H][O+]([H])[H] | |
| Nc4cc3[n+](c2c(c1c(cccc1)cc2)nc3c5c4cccc5)c6c7c(ccc6)cccc7 | |
| [c+]1ccccc1 | |
| c1ccc[NH]1 | |
| c1ccc[NH]1 | |
| [CH2]CNC | |
| Cn1cccc1 | |
| [cH-]1cccc1 | |
| Nc1ncnc2[nH]cnc12 | |
| C | |
| [W] | |
| CC | |
| C=C | |
| C#C | |
| CCC | |
| C1CCCCC1 | |
| c1=cc=cc=c1 | |
| c1ccccc1 | |
| CC=CBr | |
| C=%10C=CC=C%02C=%10N(C)CCC%02 | |
| c1ccccc1C1=CC=CC=C1 | |
| String smiles2 = "C%21=%01C=CC=C%02C=%01N(C)CCC%02.C%21c%02ccccc%02 | |
| C=1C=CC=CC=1 | |
| [C-]#[O+] | |
| CS(=O)(=O)[O-].[Na+] | |
| [F+]=C-[C-] | |
| [s+]1c2c(nc3c1cccc3)cccc2 | |
| [nH]1cccc1 | |
| n1([H])cccc1 | |
| n1cccc1 | |
| [n-]1cccc1 | |
| [nH]1cncc1 | |
| n1([H])cncc1 | |
| n1cncc1 | |
| n1cc[nH]c1 | |
| n1ccccc1 | |
| n1cnccc1 | |
| String smiles1 = "c1ccc2cc[nH]c2(c1) | |
| String smiles1 = "C1(NC=C2)=C2C=CC=C1 | |
| [H]B1([H])HB([H]1)([H])[H] |
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