SMILES
string | label
int64 | InChI_Key
string | scaffold
string |
|---|---|---|---|
CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2
| 1
|
ZTVIKZXZYLEVOL-KCQAQPDRSA-N
|
O=C(Cc1ccccc1)OC1C[C@@H]2CC[C@@H](C1)N2
|
CN1[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2
| 1
|
RKUNBYITZUJHSG-DZKIICNBSA-N
|
O=C(Cc1ccccc1)OC1C[C@@H]2CC[C@@H](C1)N2
|
CC(=O)OC1CC2CCC3C(CCC4(C)C3CC([N+]3(C)CCCCC3)C4OC(C)=O)C2(C)CC1N1CCCCC1
| 0
|
BGSZAXLLHYERSY-UHFFFAOYSA-N
|
C1CCN(C2CCC3CCC4C5CC([NH+]6CCCCC6)CC5CCC4C3C2)CC1
|
Oc1ccc2c(c1)[C@]13CCCC[C@]1(O)[C@H](C2)N(CC1CC1)CC3
| 1
|
STBZIDOIKQNFCQ-ZCNNSNEGSA-N
|
c1ccc2c(c1)C[C@H]1C3CCCC[C@@]23CCN1CC1CC1
|
COc1ccc2c(c1)CCCC2(O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2
| 0
|
DTUMBUFHMCNBTB-UHFFFAOYSA-N
|
O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1CCCc2ccccc21
|
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2
| 0
|
DTUMBUFHMCNBTB-QFIPXVFZSA-N
|
O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1CCCc2ccccc21
|
CC(CS)C(=O)N1CCCC1C(=O)O
| 0
|
FAKRSMQSSFJEIM-UHFFFAOYSA-N
|
C1CCNC1
|
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
| 0
|
FAKRSMQSSFJEIM-RQJHMYQMSA-N
|
C1CCNC1
|
O=C(NC(CO)C(O)C1CCC([N+](=O)[O-])CC1)C(Cl)Cl
| 1
|
QOWBCJDSXANKEU-UHFFFAOYSA-N
|
C1CCCCC1
|
C[C@H]1CC[C@H](C)[C@@H](C)C1
| 1
|
VCJPCEVERINRSG-CIUDSAMLSA-N
|
C1CCCCC1
|
NCC1(CC(=O)O)CCCCC1
| 1
|
UGJMXCAKCUNAIE-UHFFFAOYSA-N
|
C1CCCCC1
|
C#CC1(OC(N)=O)CCCCC1
| 1
|
GXRZIMHKGDIBEW-UHFFFAOYSA-N
|
C1CCCCC1
|
C#CCC1(OC(N)=O)CCCCC1
| 1
|
MIRHIEAGDGUXKL-UHFFFAOYSA-N
|
C1CCCCC1
|
CC(C)[C@H](O)C1CCCCC1
| 1
|
DZNUOUOIPRQTTB-JTQLQIEISA-N
|
C1CCCCC1
|
CN(C)CCOC(=O)CCC1CCCCC1
| 1
|
MPOYJPINNSIHAK-UHFFFAOYSA-N
|
C1CCCCC1
|
CC[C@H](OC(N)=O)C1CCCCC1
| 1
|
IGISNRIWPJVXDB-VIFPVBQESA-N
|
C1CCCCC1
|
NC[C@H]1CC[C@@H](C(=O)O)CC1
| 1
|
GYDJEQRTZSCIOI-KNVOCYPGSA-N
|
C1CCCCC1
|
NNCC1CCCCC1
| 1
|
BDHMBGHSWFWYSP-UHFFFAOYSA-N
|
C1CCCCC1
|
CC(C)C(O)C1CCCCC1
| 1
|
DZNUOUOIPRQTTB-UHFFFAOYSA-N
|
C1CCCCC1
|
CCC(OC(N)=O)C1CCCCC1
| 1
|
IGISNRIWPJVXDB-UHFFFAOYSA-N
|
C1CCCCC1
|
O=NN(CCCl)C(=O)NC1CCCCC1
| 1
|
GQYIWUVLTXOXAJ-UHFFFAOYSA-N
|
C1CCCCC1
|
CC[C@@H](OC(N)=O)C1CCCCC1
| 1
|
IGISNRIWPJVXDB-SECBINFHSA-N
|
C1CCCCC1
|
CC1CCC(C)C(C)C1
| 1
|
VCJPCEVERINRSG-UHFFFAOYSA-N
|
C1CCCCC1
|
CC(=O)NC1C(I)C(NC(C)=O)C(I)C(C(=O)O)C1I
| 0
|
NYOJUSSCELSPMG-UHFFFAOYSA-N
|
C1CCCCC1
|
CC1CCCCC1C
| 1
|
KVZJLSYJROEPSQ-UHFFFAOYSA-N
|
C1CCCCC1
|
CC(C)(C)C1CCCCC1
| 1
|
XTVMZZBLCLWBPM-UHFFFAOYSA-N
|
C1CCCCC1
|
C1CCCCC1
| 1
|
XDTMQSROBMDMFD-UHFFFAOYSA-N
|
C1CCCCC1
|
CC1CCCCC1
| 1
|
UAEPNZWRGJTJPN-UHFFFAOYSA-N
|
C1CCCCC1
|
CNC(C)CC1CCCCC1
| 1
|
JCRIVQIOJSSCQD-UHFFFAOYSA-N
|
C1CCCCC1
|
CN[C@H](C)CC1CCCCC1
| 1
|
JCRIVQIOJSSCQD-SECBINFHSA-N
|
C1CCCCC1
|
C[C@H]1CCCC[C@@H]1C
| 1
|
KVZJLSYJROEPSQ-YUMQZZPRSA-N
|
C1CCCCC1
|
OCC(CO)NC1CC(O)(CO)C(O)C(O)C1O
| 0
|
FZNCGRZWXLXZSZ-UHFFFAOYSA-N
|
C1CCCCC1
|
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
| 0
|
JLYXXMFPNIAWKQ-UHFFFAOYSA-N
|
C1CCCCC1
|
CC1CCC(C(C)C)C(O)C1
| 0
|
NOOLISFMXDJSKH-UHFFFAOYSA-N
|
C1CCCCC1
|
NC1CCCCC1N
| 0
|
SSJXIUAHEKJCMH-UHFFFAOYSA-N
|
C1CCCCC1
|
O=C(N[C@H](CO)[C@H](O)C1CCC([N+](=O)[O-])CC1)C(Cl)Cl
| 1
|
QOWBCJDSXANKEU-GEPGNKONSA-N
|
C1CCCCC1
|
CN(C)Cc1ccc(CSCCN[C@H]2N=CC=C2[N+](=O)[O-])o1
| 0
|
XLYBIDWGRCVKEW-CQSZACIVSA-N
|
C1=C[C@@H](NCCSCc2ccco2)N=C1
|
CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@H]3CC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@H](O)C[C@]12C
| 1
|
BMGMDQXYYFNUGH-VQMMELNASA-N
|
O=C1C=CC2C(=C1)C[C@H]1C2CCC2C3OCO[C@H]3C[C@H]21
|
COc1ccc2c3c1OC1[C@@H](O)CCC4C(C2)N(C)CC[C@@]341
| 1
|
RBOXVHNMENFORY-GLAODNLDSA-N
|
c1cc2c3c(c1)OC1CCCC4C(C2)NCC[C@]314
|
COc1cc2c3c(c1O)C1(C=CC(=O)C=C1)C[C@@H]3N(C)CC2
| 1
|
PNJUPRNTSWJWAX-ZDUSSCGKSA-N
|
O=C1C=CC2(C=C1)C[C@@H]1NCCc3cccc2c31
|
CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O
| 1
|
XFDJYSQDBULQSI-UHFFFAOYSA-N
|
O=C1NCC(CCN2CCOCC2)C1(c1ccccc1)c1ccccc1
|
O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(C(F)(F)F)cc1
| 0
|
FEJSMMIZTOMLEL-UHFFFAOYSA-N
|
c1ccc(CNc2cnc3ccccc3n2)cc1
|
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)CC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)C1O
| 0
|
MKNGLGNDKXRJBQ-UHFFFAOYSA-N
|
O=C1CCc2ccc(cc2)Oc2cc3cc(c2OC2OCCCC2OC2CCCCO2)Oc2ccc(cc2)CC2CC(=O)C(NC(=O)C3NC(=O)CN1)c1cccc(c1)-c1ccccc1CNC2=O
|
CN(C)C1C(O)=C(C(=O)NCN2CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12
| 0
|
HMEYVGGHISAPJR-UHFFFAOYSA-N
|
O=C(NCN1CCCC1)C1=CCC2CC3Cc4ccccc4C(=O)C3=CC2C1=O
|
O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C[C@H]2COc3ccccc3O2)CC1
| 1
|
WFJWTVCUKPPEOR-INIZCTEOSA-N
|
O=c1[nH]c2ccccc2n1C1CCN(C[C@H]2COc3ccccc3O2)CC1
|
Cc1nsc(NS(=O)(=O)c2ccc(N)cc2)c1C
| 1
|
VQXSJFXMVDVUTH-UHFFFAOYSA-N
|
O=S(=O)(Nc1ccns1)c1ccccc1
|
CN1C2CCC1CC(OC(=O)c1cn(C)c3ccccc13)C2
| 1
|
WFBCHDSKCGDTQX-UHFFFAOYSA-N
|
O=C(OC1CC2CCC(C1)N2)c1c[nH]c2ccccc12
|
CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2
| 1
|
ZNRGQMMCGHDTEI-UHFFFAOYSA-N
|
O=C(OC1CC2CCC(C1)N2)c1c[nH]c2ccccc12
|
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSc1ccccc1
| 1
|
JGRQAHVITBPXIY-SFHVURJKSA-N
|
O=C(CCSc1ccccc1)N[C@H]1CCOc2ccccc21
|
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O
| 0
|
DNXHEGUUPJUMQT-CBZIJGRNSA-N
|
O=C1CC[C@@H]2C1CC[C@@H]1c3ccccc3CC[C@H]12
|
CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
| 1
|
KLPWJLBORRMFGK-UHFFFAOYSA-N
|
O=C1c2cc[nH]c2CCC1CN1CCOCC1
|
CCCCCC(O)C=CC1C(O)CC2OC(=CCCCC(=O)O)CC21
| 0
|
KAQKFAOMNZTLHT-UHFFFAOYSA-N
|
C=C1CC2CCCC2O1
|
O=c1cc[nH]nc1
| 1
|
VHVUTJZQFZBIRR-UHFFFAOYSA-N
|
O=c1cc[nH]nc1
|
O=S1(=O)NC2CCCN2c2ccccc21
| 1
|
MNTIJYGEITVWHU-UHFFFAOYSA-N
|
O=S1(=O)NC2CCCN2c2ccccc21
|
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12
| 0
|
LXMSZDCAJNLERA-ZHYRCANASA-N
|
O=C1C=C2CC[C@@H]3[C@H](CCC4[C@H]3CC[C@@]43CCC(=O)O3)C2CC1
|
CC1=C(C(=O)O)N2C(=O)C(NC(=O)[C@@H](N)C3=CCC=CC3)[C@@H]2SC1
| 0
|
RDLPVSKMFDYCOR-VIBFFUDUSA-N
|
O=C(CC1=CCC=CC1)NC1C(=O)N2C=CCS[C@@H]12
|
CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCCC4)cc3)C(=O)C2)cc1
| 0
|
RLJKFXRSANDEJS-UHFFFAOYSA-N
|
O=C(c1ccccc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1
|
O=C(c1ccc(F)cc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1
| 0
|
GXILWBIQFGWJQN-UHFFFAOYSA-N
|
O=C(c1ccccc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1
|
CC(=O)OC1/C=C/C(C)=C/CC(O)/C=C/C(C)=C/C(NC(=O)C(C)=O)C2(C)C(=O)OC(C1)C(C)C2=O
| 0
|
LSNBAGMWJRMBEO-KDXLHJRLSA-N
|
O=C1CC2CC/C=C/C=C/CC/C=C/C=C/CC1C(=O)O2
|
CN1CCN(C=C2N=C3CN=C(c4ccccc4Cl)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1
| 1
|
UTEFBSAVJNEPTR-UHFFFAOYSA-N
|
O=C1C(=CN2CCNCC2)N=C2CN=C(c3ccccc3)c3ccccc3N12
|
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O
| 1
|
UIOFUWFRIANQPC-CPUCHLNUSA-N
|
O=C(N[C@@H]1C(=O)N2CCS[C@@H]12)c1conc1-c1ccccc1
|
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12
| 0
|
LQOLIRLGBULYKD-KEYYUXOJSA-N
|
O=C(N[C@@H]1C(=O)N2CCS[C@@H]12)c1conc1-c1ccccc1
|
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12
| 0
|
UWYHMGVUTGAWSP-KEYYUXOJSA-N
|
O=C(N[C@@H]1C(=O)N2CCS[C@@H]12)c1conc1-c1ccccc1
|
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12
| 0
|
YFAGHNZHGGCZAX-KEYYUXOJSA-N
|
O=C(N[C@@H]1C(=O)N2CCS[C@@H]12)c1conc1-c1ccccc1
|
O=C1OC(C(O)CO)C(=O)C1=O
| 1
|
SBJKKFFYIZUCET-UHFFFAOYSA-N
|
O=C1COC(=O)C1=O
|
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@@H](CC[C@H]3C[C@H](O)CC(=O)O3)[C@H]21
| 1
|
AJLFOPYRIVGYMJ-YTIHWHOJSA-N
|
O=C1CCC[C@H](CC[C@@H]2CC=CC3=CCCC[C@@H]32)O1
|
CCC(C)(C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@H](C)[C@@H](CC[C@H]3C[C@H](O)CC(=O)O3)[C@H]21
| 1
|
RYMZZMVNJRMUDD-RLONOHTPSA-N
|
O=C1CCC[C@H](CC[C@@H]2CC=CC3=CCCC[C@@H]32)O1
|
CCC1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4CCC(=O)[C@H](C)O4)C(C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC
| 0
|
USZYSDMBJDPRIF-VTKHQTCPSA-N
|
O=C1CC[C@@H](O[C@H]2CC[C@H](O[C@H]3CC[C@@H](O[C@H]4CCCc5cc6c(cc54)C(=O)c4ccccc4C6=O)OC3)OC2)OC1
|
COC1(NC(=O)CSC(F)F)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CO[C@H]21
| 0
|
UHRBTBZOWWGKMK-SFVWDYPZSA-N
|
O=C1C[C@@H]2OCC(CSc3nnn[nH]3)=CN12
|
CO[C@@]1(NC(=O)CSC(F)F)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CO[C@H]21
| 0
|
UHRBTBZOWWGKMK-WFASDCNBSA-N
|
O=C1C[C@@H]2OCC(CSc3nnn[nH]3)=CN12
|
COC1(NC(=O)CSC(F)(F)F)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CO[C@H]21
| 0
|
ZFWIJNBHTQTHLR-NBFOIZRFSA-N
|
O=C1C[C@@H]2OCC(CSc3nnn[nH]3)=CN12
|
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
| 0
|
MQTOSJVFKKJCRP-UHFFFAOYSA-N
|
O=C1CC(OC2CCCCO2)CC(OC2CCCCO2)CCCCNCCCCO1
|
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12
| 0
|
PHXJVRSECIGDHY-UHFFFAOYSA-N
|
O=C(Nc1ccc(CN2CCNCC2)cc1)c1cccc(C#Cc2cnc3cccnn23)c1
|
COc1cc(/C=C/C(=O)N2CCCCCCC2)cc(OC)c1OC
| 1
|
MDGVCMGGLSOVIQ-MDZDMXLPSA-N
|
O=C(/C=C/c1ccccc1)N1CCCCCCC1
|
CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1
| 1
|
ZDLBNXXKDMLZMF-UHFFFAOYSA-N
|
O=C(NC1CCN(CC2CC=CCC2)CC1)c1ccccc1
|
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@H]2SC1
| 0
|
GOFCPYKUMJBHBH-WMLDXEAASA-N
|
O=C(Cc1ccccc1)N[C@H]1C(=O)N2C=CCS[C@H]12
|
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccccc3)[C@H]2SC1
| 0
|
FUBBGQLTSCSAON-GDZNZVCISA-N
|
O=C(Cc1ccccc1)N[C@H]1C(=O)N2C=CCS[C@H]12
|
CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1
| 0
|
BOEGTKLJZSQCCD-ZIBATOQPSA-N
|
O=C(Cc1ccccc1)N[C@H]1C(=O)N2C=CCS[C@H]12
|
COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
| 1
|
IRYFCWPNDIUQOW-UHFFFAOYSA-N
|
O=C(CCCN1CCN(c2ccccc2)CC1)c1ccccc1
|
CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2C(=O)CCC3(O)[C@H]1C5
| 1
|
UQCNKQCJZOAFTQ-AJSFGMTHSA-N
|
O=C1CCC2[C@H]3Cc4cccc5c4[C@@]2(CCN3)[C@@H]1O5
|
O=C(Cc1csc(-n2cccc2)n1)N1CCCC[C@H]1c1cccnc1
| 1
|
XBQYLUQNUADULS-KRWDZBQOSA-N
|
O=C(Cc1csc(-n2cccc2)n1)N1CCCC[C@H]1c1cccnc1
|
O=C1CNC(c2ccccc2)=c2c3c(sc2=N1)CCCC3
| 1
|
CXEGHCTZKNQDGO-UHFFFAOYSA-N
|
O=C1CNC(c2ccccc2)=c2c3c(sc2=N1)CCCC3
|
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]
| 1
|
VKJGBAJNNALVAV-UHFFFAOYSA-M
|
c1ccc2c[n+]3c(cc2c1)-c1cc2c(cc1CC3)OCO2
|
CC12NC(Cc3ccccc31)c1ccccc12
| 1
|
LBOJYSIDWZQNJS-UHFFFAOYSA-N
|
c1ccc2c(c1)CC1NC2c2ccccc21
|
O=C1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1O
| 1
|
KEGIXQQRZWCAMW-UHFFFAOYSA-N
|
O=C1CNc2ccccc2C(c2ccccc2)=N1
|
O=C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1O
| 1
|
AQKCJDFMDAPELP-UHFFFAOYSA-N
|
O=C1CNc2ccccc2C(c2ccccc2)=N1
|
Brc1cccc(Br)c1N=C1NCCN1
| 1
|
XIVCHYWIEHVAJG-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Brc1cc(Br)c(N=C2NCCN2)c(Br)c1
| 1
|
VLIOPSQKHBKZCF-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Cc1ccc(N=C2NCCN2)c(Cl)c1
| 1
|
KWBTZIFLQYYPTH-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Cc1cc(Br)cc(C)c1N=C1NCCN1
| 1
|
FVZBHRRTMVAKDW-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Cc1cc(Cl)ccc1N=C1NCCN1
| 1
|
WCJNRJDOHCANAL-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Clc1ccc(Cl)c(N=C2NCCN2)c1
| 1
|
BYALCVXDQPAMHM-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Clc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
| 1
|
REGMPMOUDUTRSJ-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Clc1cc(Br)cc(Cl)c1N=C1NCCN1
| 1
|
YPERJPMYZVVLIP-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Fc1cccc(F)c1N=C1NCCN1
| 1
|
IUWWOCDHDVOZOJ-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Fc1cccc(Br)c1N=C1NCCN1
| 1
|
KDPNLRQZHDJRFU-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Clc1cccc(Cl)c1N=C1NCCN1
| 1
|
GJSURZIOUXUGAL-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Clc1ccc(N=C2NCCN2)c(Cl)c1
| 1
|
OLHBOWPZHXCUNR-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Cc1ccc(N=C2NCCN2)c(C)c1
| 0
|
QBXJXHODGDNKDJ-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
Cc1ccccc1N=C1NCCN1
| 0
|
WLQWOUULTDRZTQ-UHFFFAOYSA-N
|
c1ccc(N=C2NCCN2)cc1
|
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