Last active
October 23, 2015 10:00
-
-
Save pavgup/de8d7399b05801007dc0 to your computer and use it in GitHub Desktop.
quick list of smiles
This file contains hidden or 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
| 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 hidden or 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] |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment