smiles
stringlengths 5
185
| safe
stringlengths 8
648
|
|---|---|
COc1c(C)cc(C2CN(C)C(=O)C[NH2+]2)cc1C | c13c(C)cc4cc1C.C14CN(C)C(=O)C[NH2+]1.CO3 |
CCC1Oc2c(Cl)ccc(Cl)c2C1O | C13Oc2c(Cl)ccc(Cl)c2C1O.CC3 |
CN(C)C(=O)N1CCC([NH3+])C1Cc1cccc(c2ccccc2)c1 | N14CCC([NH3+])C15.c16cccc7c1.c17ccccc1.CN3C.C34=O.C56 |
Cc1cc(C(=O)OCC(=O)N(CC#N)c2ccccc2)c(C)n1Cc1ccccc1 | Cc1cc8c(C)n19.c17ccccc1.c1%10ccccc1.C5C4=O.C38=O.N467.C6C#N.O35.C9%10 |
Cc1ccc(C(C)Nc2ccc(C)nc2C)c(O)c1 | Cc1ccc5c(O)c1.c14ccc(C)nc1C.C35C.N34 |
Cc1cn(CC(C)C)c(NC(C)c2ccccn2)[nH+]1 | Cc1cn5c4[nH+]1.c16ccccn1.C5C(C)C.C36C.N34 |
C=CCOc1ccc(CCc2ccc(c3ccc(c4ccc(C(C)O)cc4)c(F)c3F)cc2)cc1F | c1%10ccc%11c(F)c1F.c16ccc7cc1F.c18ccc%10cc1.c1%11ccc9cc1.C=CC5.C7C8.C9(C)O.O56 |
CCN(CC)C(=O)c1cc(Nc2ccc(N)cc2)ccn1 | c18cc6ccn1.c17ccc(N)cc1.N345.C38=O.CC4.C5C.N67 |
Cc1c(C(=O)NC(C)c2cccc(C(=O)NO)c2)cnn1c1ccccc1 | Cc1c5cnn18.c17cccc6c1.c18ccccc1.C6(=O)NO.C35=O.C47C.N34 |
CCOc1nc(c2ccc(OCCCOc3ccc4c(c3)CCC4CC(=O)[O-])c(OC)c2)sc1CC | c1%10ccc2c(c1)CCC2CC(=O)[O-].c1%13ccc9c%11c1.c18nc%13sc1%12.C6CC7.CC5.O58.O69.O7%10.O%11C.C%12C |
CC1CCc2sc(C(=O)OCC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2C1 | CC1CCc2sc8cc2C1.c19ccc7cc1.C5C9=O.S6(C)(=O)=O.C48=O.O45.N67 |
COc1ccc(c2nnn(CC(=O)N(CCO)C(C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)cc1 | c16ccc%12cc1.c1%11ccc(Cl)cc1.c1%12nnn%10n1.C8%11C5=O.C19CCCC1.C%10C4=O.N478.C7CO.CO6.N59 |
Cc1c(C=C2Sc3ccccc3C2=O)c([O-])n(C)c(=O)c1C#N | Cc1c(C=4)c([O-])n(C)c(=O)c1C#N.C1=4Sc2ccccc2C1=O |
CC(C)Oc1cc(N)cc(Nc2ccccc2Br)c1 | c14cc5cc(N)c1.c16ccccc1Br.CC3C.O34.N56 |
CCNC(NCC(C(C)C)[NH+]1CCN(C)CC1)=[NH+]Cc1cc(Cl)c(Cl)n1C | c15cc(Cl)c(Cl)n1C.N2C(N3)=[NH+]C5.[NH+]14CCN(C)CC1.C3C4C(C)C.CC2 |
CCCNC(=O)c1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)CC2)cc1 | c15cc8ccc1Cl.c17ccc%16cc1.C16CC[NH+]%15CC1.C%15(C)C%11=O.C9(=O)C%14.CCC%13.C47=O.C%106=O.C%128=O.N%12(C)C.N4%13.N9%16.N%10%14.N%115 |
COC(=O)c1ccc2c(c1)NC(=O)C2C(=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 | c14ccc2c(c1)NC(=O)C2C(=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1.C34=O.CO3 |
CCCN1C(=O)C(SCC)=C(c2ccccc2OC)C1=O | N15C(=O)C(S4)=C(c2ccccc23)C1=O.CCC5.C4C.O3C |
COc1cccc(C(CNC(=O)c2cc(F)cc3nc(C)c(C)nc23)c2c[nH]c3ccccc23)c1OC | c18cc(F)cc2nc(C)c(C)nc12.c1%10c[nH]c2ccccc12.c15cccc9c16.C9%10C7.C48=O.CO5.N47.O6C |
CC(CCCO)NC(=O)CNc1ccccc1 | CC3CCCO.c15ccccc1.C2(=O)C4.N23.N45 |
CC(C[NH2+]CCc1cccc(Br)c1)N1CC[NH2+]CC1 | c15cccc(Br)c1.N12CC[NH2+]CC1.CC2C3.C4C5.[NH2+]34 |
CCS(=O)CCNS(=O)(=O)c1cc(N)c(F)cc1Cl | S3(=O)(=O)c1cc(N)c(F)cc1Cl.CCS(=O)CC2.N23 |
COc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2cccs2)c(OC)c1 | c14ccc9c5c1.S7(=O)(=O)c1cccs1.C18CCCN17.C38=O.CO4.C69.N36.O5C |
CC(=O)N1CCC(NC(=O)c2ccc3c(c2)ncn3c2cccc(C)c2)C1 | c17ccc2c(c1)ncn28.c18cccc(C)c1.N14CCC6C1.CC4=O.C57=O.N56 |
CC(=O)c1c[nH]c(=O)n(Cc2nc(C)c(C)o2)c1=O | c13c[nH]c(=O)n4c1=O.c15nc(C)c(C)o1.CC3=O.C45 |
Cc1ccc2ncnc(N3CC(C)CC(C(=O)[O-])C3)c2c1 | Cc1ccc2ncnc4c2c1.N14CC5CC(C)C1.C5(=O)[O-] |
C1=CCC(c2nc(c3ccccc3)c(C3CC[NH+](CCc4ccccc4)CC3)s2)C=C1 | c17nc9c8s1.C18CC[NH+]5CC1.C1=CCC7C=C1.c19ccccc1.c16ccccc1.C5C6 |
CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 | CCCCCCCCCCCCCCCCCC4.n16cc([N+](=O)[O-])cn1.c15ccc7o1.C35=O.N34.C67 |
Cc1ccc(F)c(COC(=O)NCCC(N)=O)c1 | Cc1ccc(F)c6c1.C5CC(N)=O.C23=O.C46.O24.N35 |
CC(SCc1nc(=O)cc(C(F)(F)F)[nH]1)C(=O)NC1CCCCC1 | c16nc(=O)cc7[nH]1.C15CCCCC1.CC3C2=O.C7(F)(F)F.S34.C46.N25 |
CC1CCCN(c2ncc(CS)s2)C1 | CC1CCCN3C1.c13ncc4s1.C4S |
CC(=O)C(Br)c1cccc(CF)c1Cl | c12cccc3c1Cl.CC(=O)C2Br.C3F |
Cc1ccc2c(CC(=O)NNC(=O)c3ccc(F)cc3)coc2c1 | Cc1ccc2c5coc2c1.C5C(=O)NNC4=O.c14ccc(F)cc1 |
CC[NH2+]C(CC1(OC)CCC1)c1cc(C)ccc1F | c16cc(C)ccc1F.C125CCC1.C46C5.CC3.[NH2+]34.O2C |
COc1cc(C=NNS(=O)(=O)c2ccccc2)cc(I)c1OCc1ccc(C)cc1 | c14cc(C=NNS(=O)(=O)c2ccccc2)cc(I)c15.c16ccc(C)cc1.CO4.O35.C36 |
COc1ccc(OC)c(C2CC(c3ccc(I)cc3)Nc3nnnn32)c1 | c14ccc5c(C2CC6Nc3nnnn32)c1.c16ccc(I)cc1.CO4.O5C |
COC[Si](C)(Cc1ccccc1)N(C)C | COC[Si](C)(C2)N(C)C.c12ccccc1 |
CCc1nn(C)cc1NC(=O)C1=NNC(=O)CC1 | C2(=O)C1=NNC(=O)CC1.c14nn(C)cc13.CC4.N23 |
C=C(C)CN(CC)C(=O)C(C)[NH+]1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1 | c19nnc2ccc8cn12.[NH+]17CCCC9C1.C4(=O)C7C.C=C(C)C5.C8(F)(F)F.N456.C6C |
C(=CC1CCCCC1)Cc1ccc2c(c1)OCO2 | c14ccc2c(c1)OCO2.C=3C1CCCCC1.C=3C4 |
Cc1cc(Nc2ccccc2)c2cc(Cl)ccc2n1 | Cc1cc3c2cc(Cl)ccc2n1.c14ccccc1.N34 |
Cc1nc(c2cc(F)c3c(c2)CC2(C(=O)NC(=O)NC2=O)C2C(C)OC(C)CN32)no1 | c14cc(F)c2c(c1)CC1(C(=O)NC(=O)NC1=O)C1C(C)OC(C)CN21.Cc1nc4no1 |
CNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3C)CC2)c(C)c1 | c15ccc%12c(C)c1.c1%13ccc6cc1C.[NH+]1%10CCC%14CC1.C7(=O)C%10C.C%11C(C)C.C45=O.C8%14=O.C96=O.CN4.N7%12.N8%13.N9%11 |
CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CC[NH2+]CC4)cc3)cc2C)cc1 | c1%12ccc6cc1C.c1%15ccc%11cc1.c17ccc%13cc1.C1%10CC[NH2+]CC1.CCC%14CC.C58=O.C97=O.N5%14.N8%15.O%11%12.N96.O%10%13 |
COc1cccc(OC)c1n1c(NS(=O)(=O)C(C)C(C)c2ncc(C)cn2)nnc1C1CN(S(C)(=O)=O)CCO1 | c13cccc4c19.S5(=O)(=O)C(C)C8C.n19c7nnc1%10.c18ncc(C)cn1.C1%10CN6CCO1.S6(C)(=O)=O.CO3.O4C.N57 |
Oc1ccc(C=C2CCCCC2[NH+]2CCC2)cc1 | Oc1ccc(C=4)cc1.C1=4CCCCC13.[NH+]13CCC1 |
O=C1NC(=O)C2(CCN(C(=O)C3Cc4ccccc4C(=O)O3)CC2)N1 | O=C1NC(=O)C2(CCN5CC2)N1.C16Cc2ccccc2C(=O)O1.C56=O |
CCCCCCCc1ccc(CC=N[NH+]=C(N)N)cc1 | CCCCCCC2.c12ccc3cc1.C3C=N[NH+]=C(N)N |
O=C([O-])CCCC[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 | O=C([O-])CCCC3.C145CCCCC1.c15ccc(Cl)cc1.[NH2+]34 |
COc1cccc(C(C)(O)c2cc3ccccc3s2)c1 | c15cc2ccccc2s1.c14cccc6c1.C56(C)O.CO4 |
Cc1ccc(NC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)cc1F | c17cc(=O)n(C)c2cc(Cl)ccc12.Cc1ccc6cc1F.C4(=O)C5.N46.S57 |
C[NH2+]C(c1ccc(C(C)(C)C)s1)c1ccccc1F | c15ccccc1F.c13ccc4s1.C4(C)(C)C.C235.C[NH2+]2 |
CCOC(=O)C(C)=C(C)C1[NH2+]C(C)(C(C)C)C(=O)N1CC(=O)OC | C=5(C)C1[NH2+]C7(C)C(=O)N16.C2(=O)C=5C.C6C3=O.C7(C)C.CC4.O24.O3C |
O=c1ccc2ccc(OCCCCCCCCCCS)cc2o1 | O=c1ccc2ccc4cc2o1.C3CCCCCCCCCS.O34 |
CC(O)C1(c2ccc(C[NH3+])cc2)CC1 | c15ccc4cc1.C135CC1.CC3O.C4[NH3+] |
CC1(CO)CC2C(=O)OCC(c3ccccc3)N2O1 | CC14CC2C(=O)OCC5N2O1.c15ccccc1.C4O |
COc1ccc(C(OCC2OC(n3ccc(=O)[nH]c3=O)C(OCOC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 | O%20P(O%18)N(C(C)C)C(C)C.C18OC%12C%19C1%20.n1%12ccc(=O)[nH]c1=O.c15ccc9cc1.c1%11ccc6cc1.C4(=O)C7(C)C.c1%10ccccc1.C%159%10%11.O%19CO4.C%17(C)(C)C.C%18CC#N.C%13%14=O.CO5.O%15%16.C%168.N%147.O%13%17.O6C |
CCC(C)Sc1[nH+]cc(c2ccccc2)n1C | c14[nH+]cc5n1C.c15ccccc1.CCC3C.S34 |
C=CC[NH+](C)CC#Cc1ccc2c(c1)snc2c1ccc(C(F)(F)F)cc1 | C5C#Cc1ccc2c7nsc2c1.c17ccc6cc1.C6(F)(F)F.C=CC4.[NH+]45C |
CCC(C)n1ccc(Cn2nnc(C(=O)[O-])c2C(F)F)n1 | n15nnc3c17.n14ccc6n1.CCC4C.C3(=O)[O-].C7(F)F.C56 |
C=C1c2ccccc2C(=O)N1CC(=O)Oc1c(Cl)cc(Cl)cc1Cl | C=C1c2ccccc2C(=O)N15.c14c(Cl)cc(Cl)cc1Cl.C5C3=O.O34 |
C=C(CC(=O)OC(=O)CCC([NH3+])C(=O)[O-])C(=O)OC(=O)CCC([NH3+])C(=O)[O-] | C2(=O)CCC([NH3+])C(=O)[O-].C4(=O)CCC([NH3+])C(=O)[O-].C=C(CC1=O)C3=O.O12.O34 |
C[NH+]1CCC(C)(CNC(=O)C2CCC(=O)c3cccn32)CC1 | C4(=O)C1CCC(=O)c2cccn21.C[NH+]1CCC6(C)CC1.C56.N45 |
CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3C(F)(F)F)c2n1 | c16nc4c2nnn5c2n1.N14CCC(F)(F)C1.c17ccccc18.CC6(C)C.C8(F)(F)F.C57 |
O=C(Cl)c1ccc2c(c1)Cc1cc(C(=O)Cl)ccc1CC2 | c13ccc2c(c1)Cc1cc4ccc1CC2.O=C3Cl.C4(=O)Cl |
CCCCC(CC)COc1ccc(C=NO)c(O)c1 | c13ccc(C=NO)c(O)c1.CCCCC(C2)CC.O23 |
Cc1oc(c2ccccc2)nc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 | C=5c1ccc([N+](=O)[O-])cc1.Cc1oc7nc16.c17ccccc1.C3(=O)C=5.C46.O34 |
CC(=O)c1ccccc1NC(=O)C(C)OC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1 | c19ccccc17.C18CCN5CC1.C=%10c1ccccc1.C4(=O)C6C.C5(=O)C=%10.CC9=O.C38=O.N47.O36 |
CC1CC(NC(=O)N2CC[NH+](Cc3cn4ccccc4n3)CC2)CS1 | c19cn2ccccc2n1.N16CC[NH+]7CC1.CC1CC8CS1.C56=O.N58.C79 |
CCCc1cc(OC2CCC23CCCCC3)c(C(=O)[O-])s1 | C14CCC12CCCCC2.c17cc5c6s1.CCC7.C6(=O)[O-].O45 |
CCC(C)NC(=O)c1cncc(C(=O)NCCc2cccc(OC)c2)c1 | c18cncc9c1.c1%10cccc5c1.CCC6C.C38=O.C49=O.C7C%10.N36.N47.O5C |
O=C1NC(=[NH+]Cc2ccc(F)cc2)NC1=O | O=C1NC(=[NH+]C3)NC1=O.c13ccc(F)cc1 |
COC(=O)c1scc(C)c1NC(=O)Nc1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 | c19cccc(S7(=O)=O)c1.N17CCCc2ccccc21.c1%10scc(C)c18.C4%10=O.C56=O.CO4.N58.N69 |
CC(=O)Oc1ccc2oc(=O)c(OCC=C(C)CCC=C(C)C)c(OC(C)=O)c2c1 | c16ccc2oc(=O)c7c8c2c1.C=9(C)CCC=%10.CC3=O.C5C=9.C=%10(C)C.C4(C)=O.O36.O57.O48 |
CCOc1ccc(NC(=O)c2cccc(OC)c2)c(N)c1 | c15ccc7c(N)c1.c18cccc6c1.C38=O.CC4.O45.N37.O6C |
Cc1n[nH]c(C)c1C(=O)N1CC(C)OC(C)C1 | N12CC(C)OC(C)C1.Cc1n[nH]c(C)c13.C23=O |
CC(C)OCc1ccccc1CNC(=O)c1cc2c([nH]c1=O)CCC2 | c17cc2c([nH]c1=O)CCC2.c18ccccc19.CC4C.C37=O.O45.C58.C69.N36 |
CC1CCC=CC2CC2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)C2CC(Oc3nc4cc(OC(C)C)ccc4nc3C(F)(F)F)CN2C(=O)C(NC(=O)[O-])C(C)C1 | CC1CCC=CC2CC2%14NC(=O)C2CC%10CN2C(=O)C%13C(C)C1.c19nc2cc%11ccc2nc16.S%12(=O)(=O)C1(C)CC1.C6(F)(F)F.C5%14=O.C8(C)C.C7(=O)[O-].N5%12.O9%10.O8%11.N7%13 |
Cc1ccc(N=C(c2ccccc2)c2ccc(N(C)C)cc2)cc1 | Cc1ccc(N=C(c2ccccc2)c2ccc3cc2)cc1.N3(C)C |
CC1C[NH2+]CCC1(C)c1ccc(Cl)c(Cl)c1 | CC1C[NH2+]CCC12C.c12ccc(Cl)c(Cl)c1 |
C=C(C)C(=O)OCCOC(=O)C(CCC(=O)OCCOC(=O)CCC(=O)OC1CSCCCSC1)(CCC(=O)OCCOC(=O)CCC(=O)OC1CSCCCSC1)C(C)=O | C%10(=O)C(CCC%11=O)(CCC%14=O)C(C)=O.C18CSCCCSC1.C19CSCCCSC1.C%12(=O)CCC%13=O.C%15(=O)CCC%16=O.C=C(C)C2=O.C%17C3.C4C5.C6C7.O2%17.O%103.O%114.O%125.O%138.O%146.O%157.O%169 |
[NH3+]CCCC1(Cc2ccccc2)CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1 | c15cc2cc[nH]c(=O)c2cc1Cl.C167CCC4CC1.c18ccccc1.[NH3+]CCC6.C78.O45 |
CCc1occc1C(=O)N1CCCC1CCCCl | c15occc13.N12CCCC14.C4CCCl.C23=O.CC5 |
CN1C(=O)C(CC(=O)NCc2ccc3c(c2)OCO3)Oc2ccccc21 | CN1C(=O)C6Oc2ccccc21.c17ccc2c(c1)OCO2.C6C4=O.N45.C57 |
O=C(CC1C(=O)Nc2nc3ccccc3n21)NCc1ccccc1 | O=C4CC1C(=O)Nc2nc3ccccc3n21.c16ccccc1.N45.C56 |
CC(C)(C)OC(=O)Oc1ccccc1c1ccccc1OP(Oc1ccccc1)Oc1ccccc1 | c15ccccc19.c19ccccc16.O6P(O7)O8.c17ccccc1.c18ccccc1.CC4(C)C.C23=O.O24.O35 |
CC[NH+](CC)CCCCNC(NCC1(c2ccccc2)CC1)=[NH+]C | N6C(N7)=[NH+]C.c19ccccc1.C5CCC6.C189CC1.[NH+]345.CC3.C4C.C78 |
Cc1cc(OCC[NH+]2CCOCC2)c(C)c2c1CCC(C(C)C(=O)N1CCC(O)CC1)C2 | Cc1cc5c(C)c2c1CCC7C2.N13CCC(O)CC1.[NH+]16CCOCC1.C7(C)C3=O.C4C6.O45 |
C[NH+](C)Cc1ccc(Cc2ncc3cc(C=C(F)C[NH3+])ccc3n2)cc1 | c16ncc2cc(C=5)ccc2n1.c17ccc8cc1.C=5(F)C[NH3+].C[NH+]4C.C47.C68 |
CC(C)[NH+]1CCC(Nc2ccc(Cl)c(Br)c2)(C(=O)[O-])C1 | c15ccc(Cl)c(Br)c1.[NH+]13CCC46C1.CC3C.C6(=O)[O-].N45 |
Cc1ccc(c2nn(c3ccc(C)cc3C)cc2N)cc1 | c14ccc(C)cc1C.Cc1ccc5cc1.c15nn4cc1N |
CC(C)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)C2c2cccc(C(F)(F)F)c2)cc1 | N16C(=O)C(O)=C(c2ccc(F)cc2)C17.c14ccc6cc1.c17cccc5c1.C5(F)(F)F.CC4C |
CC(C)(Cn1c(CO)nc2c(N)nc3cccnc3c21)NS(C)(=O)=O | n16c7nc2c(N)nc3cccnc3c21.CC4(C)C6.S5(C)(=O)=O.C7O.N45 |
Clc1nccc(C#CCCc2nc3ccccc3o2)n1 | Clc1nccc(C#CCC4)n1.c14nc2ccccc2o1 |
Cc1cccc(OC(C)C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 | S7(=O)(=O)c1ccccc1F.Cc1cccc6c1.N14CCN7CC1.C5(C)C4=O.O56 |
COC(=O)CNC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1 | c16cc2nc7cc8n2n1.C3(=O)C5.C46=O.C7(F)F.C8(F)F.CO3.N45 |
CC(C)(C)NC(=O)N(CC[NH+]1CCN(C(=O)Nc2ccccc2)CC1)CC1=CCC2CC1C2(C)C | C%10C1=CCC2CC1C2(C)C.[NH+]19CCN5CC1.c1%11ccccc1.CC7(C)C.C34=O.N48%10.C8C9.C56=O.N37.N6%11 |
CCC(C)C(=O)Nc1ccc(F)c(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NC(C)C)ccc3Cl)CC2)c1 | c1%16ccc(F)c5c1.c16cc8ccc1Cl.C17CC[NH+]%14CC1.CCC(C)C4=O.C9(=O)C%13C.C%14C%11=O.C%107=O.C%128=O.C%15(C)C.N4%16.N95.N%10%13.N%116.N%12%15 |
COc1cccc(C2=NN(C(=O)CN3CC[NH2+]CC3)C(c3ccccc3F)C2)c1 | c14cccc(C2=NN(C(=O)C5)C6C2)c1.c16ccccc1F.N15CC[NH2+]CC1.CO4 |
COc1cccc2c(C(=O)Cl)cn(CC3CCCCC3)c12 | c14cccc2c5cn6c12.C17CCCCC1.C5(=O)Cl.CO4.C67 |
Subsets and Splits