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SMILES,ReadyBiodegradability,InChIKey
CC(NC)C(O)c1ccccc1,1,KWGRBVOPPLSCSI-UHFFFAOYSA-N
Cc1cc(ccc1N)-c1cc(C)c(N)cc1,0,NUIURNJTPRWVAP-UHFFFAOYSA-N
Cc1cc2c(cc1C)N=C1C(=NC(=O)NC1=O)N2CC(O)C(O)C(O)CO,0,AUNGANRZJHBGPY-UHFFFAOYSA-N
CCCCCCCCCCCC(=O)OC=C,1,GLVVKKSPKXTQRB-UHFFFAOYSA-N
O=C=Nc1cc(c(Cl)cc1)C(F)(F)F,0,NBJZEUQTGLSUOB-UHFFFAOYSA-N
O=c1[n](Cl)c(=O)[n](Cl)c(=O)[n]1Cl,0,YRIZYWQGELRKNT-UHFFFAOYSA-N
CCc1cc(C=C)ccc1,0,XHUZSRRCICJJCN-UHFFFAOYSA-N
CCOC(=O)C(C)O,1,LZCLXQDLBQLTDK-UHFFFAOYSA-N
Oc1c(Br)c2Oc3c(cc(Br)c(O)c3Br)C3(OC(=O)c4c3c(Cl)c(Cl)c(Cl)c4Cl)c2cc1Br,0,ZYIBVBKZZZDFOY-UHFFFAOYSA-N
CNC(N)=O,1,XGEGHDBEHXKFPX-UHFFFAOYSA-N
Nc1ccccc1C(O)=O,1,RWZYAGGXGHYGMB-UHFFFAOYSA-N
CC(C)c1ccc(cc1)C(C)C,0,SPPWGCYEYAMHDT-UHFFFAOYSA-N
CC(C)(C)CC(C)CP(O)(=O)CC(C)CC(C)(C)C,0,QUXFOKCUIZCKGS-UHFFFAOYSA-N
CCCC(C)=O,1,XNLICIUVMPYHGG-UHFFFAOYSA-N
CN(C)C(=S)S[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,0,HCQQYCNWRJJRQV-UHFFFAOYSA-M
N#CC1CCCC2OCC(c3ccccc3)N21,0,GQHMNZGZXHZLEN-UHFFFAOYSA-N
CCCCCCCCCCCCN1CCCC1=O,1,NJPQAIBZIHNJDO-UHFFFAOYSA-N
CC(C)C1OCC=CCO1,0,DMGDSBIHRJJUGP-UHFFFAOYSA-N
NC(CO)(CO)CO,1,LENZDBCJOHFCAS-UHFFFAOYSA-N
CN(C)C1CCCCC1,1,SVYKKECYCPFKGB-UHFFFAOYSA-N
Cc1cc2[n]c3[s]c(=O)[s]c3[n]c2cc1,0,FBQQHUGEACOBDN-UHFFFAOYSA-N
COC(=O)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F,0,VOKIUIIBMBYXNU-UHFFFAOYSA-N
CC/C=C/CCOC(=O)c1ccccc1O,1,IEPWIPZLLIOZLU-ONEGZZNKSA-N
Oc1ccc(cc1)/N=N/c1ccc(cc1)/N=N/c1ccc(O)cc1,0,AOCDFLRLNPGEIC-UHFFFAOYSA-N
Nc1cc(ccc1)C(F)(F)F,0,VIUDTWATMPPKEL-UHFFFAOYSA-N
CC(C)(C)c1cc(CCC(O)=O)ccc1O,0,FZQRSWHPNZTNQQ-UHFFFAOYSA-N
CC1(C)CC(CC(C)(C)N1C)N(CCCC)c1[n]c([n]c([n]1)N(CCN(CCCNc1[n]c([n]c([n]1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)c1[n]c([n]c([n]1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)CCCNc1[n]c([n]c([n]1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1,0,OWXXKGVQBCBSFJ-UHFFFAOYSA-N
CN(C)CCCNCCCN,1,OMKZWUPRGQMQJC-UHFFFAOYSA-N
[O-][N+](=O)c1cccc2c(cccc21)[N+]([O-])=O,0,ZUTCJXFCHHDFJS-UHFFFAOYSA-N
CC(C)N1C2CC(=O)CC1CC2,0,AKETXTOLBLTPTP-UHFFFAOYSA-N
Br/C=C/c1ccccc1,0,YMOONIIMQBGTDU-VOTSOKGWSA-N
Brc1c(Br)c(Br)c(Br)c(Br)c1Br,0,CAYGQBVSOZLICD-UHFFFAOYSA-N
C=CCOC(=O)c1ccccc1C(=O)OCC=C,1,QUDWYFHPNIMBFC-UHFFFAOYSA-N
OC(=O)CCCCCCCCCCCCCCCCC(O)=O,1,BNJOQKFENDDGSC-UHFFFAOYSA-N
N#CC1=NC(N=C1C#N)(C(O)=O)C(F)(F)F,0,AOCCZGALLYTTHF-UHFFFAOYSA-N
Nc1[n]c(N)[n]c(N)[n]1,0,JDSHMPZPIAZGSV-UHFFFAOYSA-N
COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1,0,SDMCZCALYDCRBH-UHFFFAOYSA-N
CC(C)CCCC=C,1,DFVOXRAAHOJJBN-UHFFFAOYSA-N
O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,0,BFWMWWXRWVJXSE-UHFFFAOYSA-M
CCOCCOCCOC(=O)C1CCC(CC1)C(=O)OCCOCCOCC,0,JNFDQAYPZCYWLD-UHFFFAOYSA-N
COc1cc(ccc1Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)-c1cc(OC)c(cc1)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,0,JIHCTUPQGPSRBD-UHFFFAOYSA-N
COc1ccc(cc1/N=N/c1c(O)c(cc2ccccc21)C(=O)Nc1cc(Cl)c(cc1OC)OC)C(=O)Nc1ccc(cc1)C(N)=O,0,DZYFEMTUCDZMSP-UHFFFAOYSA-N
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,1,GWVDBZWVFGFBCN-UHFFFAOYSA-N
ClCBr,0,UTIHTZEPAAEMS-UHFFFAOYSA-N
CC(=O)CC(=O)OC(C)CC,1,QSTNBMLCULGCQE-UHFFFAOYSA-N
OC(=O)CCC(O)=O,1,KDYFGRWQOYBRFD-UHFFFAOYSA-N
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCO,0,MORHMXPGPOPWQT-UHFFFAOYSA-N
CCCCCCOCCO,1,UPGSWASWQBLSKZ-UHFFFAOYSA-N
CCCCCCCCO,1,KBPLFHHGFOOTCA-UHFFFAOYSA-N
CC(CC)c1cccc(C(C)CC)c1O,0,FHTGJZOULSYEOB-UHFFFAOYSA-N
ClC(Cl)C(Cl)Cl,0,QPFMBZIOSGYJDE-UHFFFAOYSA-N
O=c1c2ccccc2c2ccc3[s]c4ccccc4c4ccc1c2c43,0,UCYXVRIWFFFXMR-UHFFFAOYSA-N
COc1cc(/N=N/c2c(Cl)cc(cc2[N+]([O-])=O)[N+]([O-])=O)c(cc1N(Cc1ccccc1)CCOC(C)=O)NC(C)=O,0,DFAKODSMQXHLIH-UHFFFAOYSA-N
CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C,0,JPIYZTWMUGTEHX-UHFFFAOYSA-N
Nc1cccc2c1C(=O)c1ccccc1C2=O,0,KHUFHLFHOQVFGB-UHFFFAOYSA-N
CCCCCCCCCCCC(=O)OCCC(C)C,1,FVKRIDSRWFEQME-UHFFFAOYSA-N
COC(=O)CCC(=O)OC,1,MUXOBHXGJLMRAB-UHFFFAOYSA-N
CC(CCO)CC(C)(C)C,0,BODRLKRKPXBDBN-UHFFFAOYSA-N
c1cccc2[nH]c3ccccc3c21,0,UJOBWOGCFQCDNV-UHFFFAOYSA-N
Nc1c(cc(cc1Cl)-c1cc(Cl)c(N)c(c1)S(O)(=O)=O)S(O)(=O)=O,0,PEIQLVWMYVLUAU-UHFFFAOYSA-N
COc1ccccc1/N=N/c1c(O)ccc2ccccc21,0,ALLOLPOYFRLCCX-UHFFFAOYSA-N
CC(O)C(C)O,1,OWBTYPJTUOEWEK-UHFFFAOYSA-N
CC(=O)N(CC(O)CO)c1c(I)c(c(I)c(c1I)C(=O)NCC(O)CO)C(=O)NCC(O)CO,0,NTHXOOBQLCIOLC-UHFFFAOYSA-N
Nc1ccc(CCc2ccc(N)cc2)cc1,0,UHNUHZHQLCGZDA-UHFFFAOYSA-N
c1c2ccccc2cc2ccccc21,0,MWPLVEDNUUSJAV-UHFFFAOYSA-N
CN(C)CCCN(CCCN(C)C)CCCN(C)C,0,DTKANQSCBACEPK-UHFFFAOYSA-N
C=CCCCCCCCCCCCCCCCCCCCCC(O)=O,1,YGTSVJQQDISEHZ-UHFFFAOYSA-N
Nc1c2c(c(cc1S(O)(=O)=O)Nc1cc(ccc1)S(=O)(=O)CCOS(O)(=O)=O)C(=O)c1ccccc1C2=O,0,VGPIJNLQDSYRBZ-UHFFFAOYSA-N
CN(C)CCCNC(=O)C=C,0,ADTJPOBHAXXXFS-UHFFFAOYSA-N
CC1(C)C2CC(=O)C1(C)CC2,1,DSSYKIVIOFKYAU-UHFFFAOYSA-N
Cc1[n]cc([n]1CCO)[N+]([O-])=O,0,VAOCPAMSLUNLGC-UHFFFAOYSA-N
OS(=O)(=O)c1cc(O)c2ccc(cc2c1)NC(=O)Nc1cc2cc(cc(O)c2cc1)S(O)(=O)=O,0,PCGISRHGYLRXSR-UHFFFAOYSA-N
C=C(Cl)Cl,0,LGXVIGDEPROXKC-UHFFFAOYSA-N
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,1,VHQQPFLOGSTQPC-UHFFFAOYSA-N
Br/C=C\c1ccccc1,0,YMOONIIMQBGTDU-SREVYHEPSA-N
C(CCc1ccccc1)c1cc[n]cc1,0,AQIIVEISJBBUCR-UHFFFAOYSA-N
Cc1cc(C)[nH][n]1,0,SDXAWLJRERMRKF-UHFFFAOYSA-N
Cc1cc(ccc1Cl)C(=O)C(F)(F)F,0,ZJBYBUSSCVQOMY-UHFFFAOYSA-N
Clc1cc(ccc1Cl)C(Cl)(Cl)Cl,0,ATYLRBXENHNROH-UHFFFAOYSA-N
OC(CO)C1OC(=O)C(OC2OC(CO)C(O)C(O)C2O)C1=O,1,LSMAUOJGZPNABT-UHFFFAOYSA-N
COc1cc(/C=C/C(O)=O)ccc1O,1,KSEBMYQBYZTDHS-HWKANZROSA-N
CC(C)(C)NCCO,0,IUXYVKZUDNLISR-UHFFFAOYSA-N
CCC(N)CO,1,JCBPETKZIGVZRE-UHFFFAOYSA-N
CC(O)CNCC(C)O,1,LVTYICIALWPMFW-UHFFFAOYSA-N
Oc1c(Br)c(Br)c(Br)c(Br)c1Br,0,SVHOVVJFOWGYJO-UHFFFAOYSA-N
c1c([nH]c2ccccc21)-c1ccccc1,0,KLLLJCACIRKBDT-UHFFFAOYSA-N
CC(=O)OCCN(CCOC(C)=O)c1ccc(cc1)/N=N/c1c(Br)cc(cc1Br)[N+]([O-])=O,0,AKGBLCAZNYPAGT-UHFFFAOYSA-N
OC1CCCCC1,1,HPXRVTGHNJAIIH-UHFFFAOYSA-N
Oc1cc(ccc1O)C(O)=O,1,YQUVCSBJEUQKSH-UHFFFAOYSA-N
COc1cc(ccc1/N=N/c1ccc(O)cc1)/N=N/c1ccc(cc1)[N+]([O-])=O,0,PTIVACHGVHIMMK-UHFFFAOYSA-N
C=CS(=O)(=O)CCOCCNc1[n]c(F)[n]c(Nc2cc(NC(N)=O)c(cc2)/N=N/c2cc3c(cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)[n]1,0,HYEFCMYYZLVGFL-UHFFFAOYSA-N
CCCCCCCC/C=C/CCCCCCCC(=O)OCCS(O)(=O)=O,1,DHNWFKDQGWAXQE-MDZDMXLPSA-N
CCNCC,1,HPNMFZURTQLUMO-UHFFFAOYSA-N
COC(=O)C1CC(=O)C(CC1=O)C(=O)OC,1,MHKKFFHWMKEBDW-UHFFFAOYSA-N
FC(F)Cl,0,VOPWNXZWBYDODV-UHFFFAOYSA-N
COc1c(O)cc(Cl)c(Cl)c1Cl,0,RKEHLKXRUVUBJN-UHFFFAOYSA-N
COC(=O)CCc1cc(c(O)c(c1)-[n]1[n]c2ccccc2[n]1)C(C)(C)C,0,UJRDRFZCRQNLJM-UHFFFAOYSA-N
Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,0,LXQOQPGNCGEELI-UHFFFAOYSA-N
Cc1ccccc1OCC1CO1,0,KFUSXMDYOPXKKT-UHFFFAOYSA-N
COc1ccc(cc1)[N+]([O-])=O,0,BNUHAJGCKIQFGE-UHFFFAOYSA-N
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