CCNC(=O)CNC(=O)NCCC(=O)N(C)C	ZINC000332435516	nonring
Cn1cnnc1SCC(=O)Nc2cc(F)ccc2F	ZINC000000031597	O=C(CSc1nnc[nH]1)Nc2ccccc2
Nn1cnnc1SCC(=O)NCCc2ccccc2	ZINC000000415224	O=C(CSc1nnc[nH]1)NCCc2ccccc2
CN3[C@H]2OC1O[C@H]4[C@@H](OC1O[C@H]2N(C)C3=O)N(C)C(=O)N4C	ZINC000000368803	O=C4NC3OC2OC1NC(=O)NC1OC2OC3N4
OC(=O)c2ccc(Nc1cnnc(=O)[nH]1)cc2	ZINC000000139185	O=c2nncc(Nc1ccccc1)[nH]2
Cc4cccc(OCC(=O)NN3C(=O)[C@H]2[C@H]1O[C@H](C=C1)[C@H]2C3=O)c4	ZINC000000608418	O=C(COc1ccccc1)NN4C(=O)C3C2OC(C=C2)C3C4=O
O[C@H]3C[C@@H](O)CN(C(=O)[C@H]2CN(CCN1CCOCC1)C(=O)C2)C3	ZINC000674807725	O=C2CC(C(=O)N1CCCCC1)CN2CCN3CCOCC3
CCNC(=O)CN2CCN(C(=O)C(=O)N(C)C[C@@H]1C[C@H](O)C1)CC2	ZINC000625389356	O=C(NCC1CCC1)C(=O)N2CCNCC2
CCOCCS(=O)(=O)NCC(=O)N(C)CC(=O)OCC	ZINC000342572566	nonring
COC(=O)Cc2nc(NC(=O)[C@@H]1CC[C@H]1C(O)=O)sc2C	ZINC000000117985	O=C(Nc1nccs1)C2CCC2
Nc2nccc3n([C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)cnc23	ZINC000000057311	C3COC(n1cnc2cnccc12)C3
C3CN(c2ccc1nnnn1n2)CCN3c4ccccc4	ZINC000000052513	C3CN(c2ccc1nnnn1n2)CCN3c4ccccc4
CN(C(=O)CSc1n[nH]c(=O)[nH]c1=O)c2ccccc2	ZINC000001282382	O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc2ccccc2
Cc2nc1nn(C)cc1c(=O)n2N	ZINC000000163677	O=c1[nH]cnc2n[nH]cc12
ON1CC[C@]2(O)[C@H]1CCc3c2non3=O	ZINC000000248102	O=n3onc2C1CCNC1CCc23
C[C@H]2CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CCN2S(C)(=O)=O	ZINC000646953541	O=C2CC(C(=O)N1CCNCC1)NC(=O)N2
CCOC(=O)c2cn1[nH]c(=O)cc1nc2C	ZINC000000049632	O=c2cc1ncccn1[nH]2
CS(=O)(=O)N2CCN(c1ncccn1)CC2	ZINC000000371944	C2CN(c1ncccn1)CCN2
O=S3(=O)N=C(N/N=C/c1ccccn1)c2ccccc23	ZINC000000033995	O=S3(=O)N=C(NN=Cc1ccccn1)c2ccccc23
CCOC(=O)C1(C(=O)OCC)CC1(C(=O)OCC)C(=O)OCC	ZINC000000362782	C1CC1
OC(=O)c3cc2ncc(n1cc(N(=O)=O)cn1)cn2n3	ZINC000000049635	c3cnn(c2cnc1ccnn1c2)c3
COC(=O)C1CC(C(=O)OC)CC(C(=O)OC)C1	ZINC000000056800	C1CCCCC1
COc2ccc1n(CO)c(=O)n(CO)c1c2	ZINC000000033998	O=c2[nH]c1ccccc1[nH]2
Cn2cc(S(=O)(=O)N1CCNCC1)c(=O)n(C)c2=O	ZINC000019281965	O=c2[nH]cc(S(=O)(=O)N1CCNCC1)c(=O)[nH]2
CSCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O	ZINC000001576323	nonring
NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1	ZINC000000078147	c1ccccc1
Nc3ccc(S(=O)(=O)Nc2cnc1ccccc1n2)cc3	ZINC000000002106	O=S(=O)(Nc2cnc1ccccc1n2)c3ccccc3
OC2(C(=O)N1CCNC(=O)C1)CNC2	ZINC000662441498	O=C2CN(C(=O)C1CNC1)CCN2
CS(=O)(=O)N[C@@H]2CCN(CCN1CCOCC1)C2	ZINC000407947779	C2CCN(CCN1CCOCC1)C2
C[C@@H]3CN(C(=O)C(=O)N2CCN(C)[C@@H](c1ncc[nH]1)C2)CCN3	ZINC000643549801	O=C(N1CCNCC1)C(=O)N3CCNC(c2ncc[nH]2)C3
CC(=O)NC(NC(C)=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000004722413	nonring
COc3cccc([C@H]1C(C(N)=O)=C(C)Nc2ncnn12)c3	ZINC000000071318	N2C=CC(c1ccccc1)n3ncnc23
C[C@]1(O)NC(=O)[C@@]2(C#N)C(C#N)(C#N)[C@@]12c3ccccc3	ZINC000000128044	O=C2NCC3(c1ccccc1)CC23
Cc1nnc(=O)[nH]c1NCc2cccnc2	ZINC000000071316	O=c2nncc(NCc1cccnc1)[nH]2
CCc2ccc(NC(=O)CSc1nncn1C)cc2	ZINC000000041040	O=C(CSc1nnc[nH]1)Nc2ccccc2
CN3C[C@@H](C(=O)N[C@@H]2CCc1nnnn1CC2)NC3=O	ZINC000616390755	O=C3NCC(C(=O)NC2CCc1nnnn1CC2)N3
Cc3cc(C)c2c1n(C)c(=O)n(C)c(=O)c1cn2n3	ZINC000000033669	O=c3[nH]c(=O)c2cn1ncccc1c2[nH]3
CN(C)c3nc(NCn2c(=O)c1ccccc1c2=O)nc(N(C)C)n3	ZINC000000495150	O=c2n(CNc1ncncn1)c(=O)c3ccccc23
CC[C@H]2N(C(=O)C(=O)N1CCN(C)C(=O)C1)CCN(CC)C2=O	ZINC000583917664	O=C2CN(C(=O)C(=O)N1CCNC(=O)C1)CCN2
COC(=O)C=Cc2cn([C@H]1C[C@@H](O)[C@@H](CO)O1)c(=O)[nH]c2=O	ZINC000029404748	O=c2ccn(C1CCCO1)c(=O)[nH]2
Cn1c(SCC(N)=O)nnc1c2ccccc2O	ZINC000000904535	c2ccc(c1nnc[nH]1)cc2
CN(C)S(=O)(=O)N2CC(NC(=O)NCCn1cnc(C#N)n1)C2	ZINC000599058699	O=C(NCCn1cncn1)NC2CNC2
COC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O	ZINC000000066940	c1ccccc1
COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H]2CC(=O)NC(=O)N2	ZINC000597614209	O=C2CC(C(=O)NCCN1CCNCC1)NC(=O)N2
O[C@H]2[C@@H](O)[C@H](n1ccc(=O)[nH]c1=O)O[C@@H]2CN3CCOCC3	ZINC000040393045	O=c3ccn(C2CCC(CN1CCOCC1)O2)c(=O)[nH]3
CN2CCN(C(=O)CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC2	ZINC000042744180	O=C(CCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)N2CCNCC2
OC[C@@H]3O[C@H](n1nnc2c(=O)[nH]cnc12)[C@H](O)[C@@H]3O	ZINC000004880522	O=c2[nH]cnc3n(C1CCCO1)nnc23
CC(CO)(CO)NC(=O)C(=O)NC(C)(CO)CO	ZINC000002167956	nonring
COC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O	ZINC000227047773	C1CCNCC1
COC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC	ZINC000000116290	c1ccsc1
CCOC(=O)c2nnc1ccnn1c2N	ZINC000000250358	c2cc1nnccn1n2
C[C@@H](CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)CN1CCN(C)CC1	ZINC000556354253	C1CNCCN1
COC(=O)C2[C@@H](c1ccccc1)C(C(O)=O)[C@@H]2c3ccccc3	ZINC000000053361	C2C(c1ccccc1)CC2c3ccccc3
O[C@@H]1COCO[C@@H]1[C@@H]2OCOC[C@H]2O	ZINC000004353283	C2CC(C1CCOCO1)OCO2
COC(=O)CNc2nc(Cl)nc(N1CCOCC1)n2	ZINC000000290798	C2CN(c1ncncn1)CCO2
CCS(=O)(=O)N(C)CC(=O)N1CCNCC1	ZINC000036284313	C1CNCCN1
COC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000002539699	C1CCOCC1
Fc3ccc(\C=c2\sc1=NCCn1c2=O)cc3	ZINC000000132862	O=c2n1CCN=c1sc2=Cc3ccccc3
COC(=O)CN(C)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O	ZINC000035176997	O=c1cc[nH]c(=O)[nH]1
Cc2ccn(CCNC(=O)[C@H]1O[C@@H](CN)[C@H](O)[C@@H](O)[C@H]1O)n2	ZINC000585284785	O=C(NCCn1cccn1)C2CCCCO2
CN[N+](=O)CO[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000256016738	C1CCOCC1
CN(CCNC(C)=O)C(=O)C(=O)NCCCN1CCOCC1	ZINC000646969975	C1COCCN1
NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(O)=O	ZINC000002561046	c2ccc1[nH]ccc1c2
Cc2cc(c1ccc(O)cc1)nnc2NCCN3CCOCC3	ZINC000000001756	C(CN1CCOCC1)Nc3ccc(c2ccccc2)nn3
CNS(=O)(=O)NCC(=O)N1CCC[C@@]1(COC)C(N)=O	ZINC000644059610	C1CCNC1
C[C@H](NS(=O)(=O)Cc1ccccc1)C(O)=O	ZINC000001677508	c1ccccc1
CCOC(=O)C(NC(=O)[C@@H](C)NC(N)=O)C(=O)OCC	ZINC000035175940	nonring
Cc1cc(=O)n(CCO)c(=O)[nH]1	ZINC000000134813	O=c1cc[nH]c(=O)[nH]1
O=C(CNS(=O)(=O)c1ccccc1)N3CCc2ccccc2C3	ZINC000000037630	O=C(CNS(=O)(=O)c1ccccc1)N3CCc2ccccc2C3
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(O)=O	ZINC000039798437	nonring
CCC(NCCN1CCNCC1)=c2c(=O)[nH]c(=O)n(CC=C)c2=O	ZINC000000530941	O=c2[nH]c(=O)c(=CNCCN1CCNCC1)c(=O)[nH]2
COC(=O)\C=c2/sc1=NC(C)(C)C=C(C)n1c2=O	ZINC000000537269	C=c2sc1=NCC=Cn1c2=O
CC(=O)ONC(NOC(C)=O)NN(=O)=O	ZINC000001704491	nonring
Nc1cc(S(=O)(=O)NCCS(N)(=O)=O)ccc1O	ZINC000036744613	c1ccccc1
Nc1nnnn1/N=C/c3ccc2OCOc2c3	ZINC000000240902	C3Oc2ccc(C=Nn1cnnn1)cc2O3
COc1c(N)c(=O)c(OC)c(N)c1=O	ZINC000001701512	O=c1ccc(=O)cc1
OCCN1CCN(CCO)C1=S	ZINC000001729693	S=C1NCCN1
Nc2ncnc(N1CCOCC1)c2N	ZINC000000238081	C2CN(c1ccncn1)CCO2
CCS[C@H]1CCC(=O)N1S(=O)(=O)c2ccccc2	ZINC000000025146	O=C1CCCN1S(=O)(=O)c2ccccc2
C[C@@H]1CCNC[C@@H]1NC(=O)CN(C)S(C)(=O)=O	ZINC000186842997	C1CCNCC1
O=C3CN(C(=O)CN2CCN(C(=O)C(=O)NC1CC1)CC2)CCN3	ZINC000298580755	O=C3CN(C(=O)CN2CCN(C(=O)C(=O)NC1CC1)CC2)CCN3
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	ZINC000000154679	c1ccccc1
Cn3c(=O)n(C)c2ncn(CC(=O)Nc1cccnc1)c2c3=O	ZINC000000263679	O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c12)Nc3cccnc3
CO[C@@H]2C[C@@H](CO)[N@@](CC(=O)N1CCNC(=O)C1)C2	ZINC000408039419	O=C2CN(C(=O)CN1CCCC1)CCN2
CN(c1ccccc1C(N)=O)S(C)(=O)=O	ZINC000000479470	c1ccccc1
O=C(NCC[N@]1CCC=CC1)[C@@H]2CCS(=O)(=O)N2	ZINC000651953254	O=C(NCCN1CCC=CC1)C2CCS(=O)(=O)N2
CNC(=O)C(=O)NCC(=O)NC(C)(C)C	ZINC000332446180	nonring
Cn1cnc2c(=O)[nH]c(N)nc12	ZINC000000039178	O=c1[nH]cnc2[nH]cnc12
CC(C)Oc1ccc(C(C)=O)cc1CC(C(N)=O)C(N)=O	ZINC000000051439	c1ccccc1
O=C(Cn2c(=O)c1cccc(N(=O)=O)c1c2=O)NC3CCCCC3	ZINC000000051438	O=C(Cn2c(=O)c1ccccc1c2=O)NC3CCCCC3
Cn2c(=O)[nH]c(=O)c3nc(N1CCCCC1)[nH]c23	ZINC000000369878	O=c3[nH]c(=O)c2nc(N1CCCCC1)[nH]c2[nH]3
CN2CCN(S(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CC2=O	ZINC000530774715	O=C2CN(S(=O)(=O)N1CCNCC1)CCN2
COC(=O)[C@@H](C)On2c(=O)c1ccccc1c2=O	ZINC000000040609	O=c1[nH]c(=O)c2ccccc12
CN1CCN(C(=O)CN(C)C(=O)CCC(=O)NCCNC(C)=O)CC1	ZINC000605335501	C1CNCCN1
Nc1ccc(S(=O)(=O)CCO)cc1	ZINC000000406014	c1ccccc1
CNC(=S)NN[C@@]1(CO)O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000005510503	C1CCOC1
CN(C)S(=O)(=O)N3CC(NC(=O)N2CC([N@]1CC[C@@H](O)C1)C2)C3	ZINC000637539769	O=C(NC1CNC1)N3CC(N2CCCC2)C3
COCCOCCN3CCN(C(=O)N=c2nc1ccccn1[nH]2)CC3	ZINC000650117520	O=C(N=c2nc1ccccn1[nH]2)N3CCNCC3
OCCNOc1cc(=O)c(=N)c(=O)[nH]1	ZINC000001668471	N=c1c(=O)cc[nH]c1=O
CC(C)N(CC(N)=O)CC(=O)N1CCNC(=O)C1	ZINC000011472316	O=C1CNCCN1
O[C@H](CCn2c(=O)c1ccccc1c2=O)CN(=O)=O	ZINC000000477278	O=c1[nH]c(=O)c2ccccc12
CCS(=O)(=O)N2CCN(S(=O)(=O)c1ccc(C)cc1)CC2	ZINC000000120055	O=S(=O)(N1CCNCC1)c2ccccc2
CN(C)S(=O)(=O)NCCNC(=O)CN1CCN(C)C(=O)C1	ZINC000575067853	O=C1CNCCN1
CS(=O)(=O)N2CCc3cc(S(=O)(=O)N1CCCCC1)ccc23	ZINC000000034469	O=S(=O)(N1CCCCC1)c3ccc2NCCc2c3
C[C@@H](N1CCNCC1=O)C(=O)N3CCN2[C@H](C[C@H](N)C2=O)C3	ZINC000602522141	O=C1CNCCN1CC(=O)N3CCN2C(CCC2=O)C3
CNC(=O)[C@@H]1CN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCO1	ZINC000367864294	C1COCCN1
COc2nc(Nc1ccccc1)nc(OCC(F)(F)F)n2	ZINC000000034463	N(c1ccccc1)c2ncncn2
COCCN(C)CCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1	ZINC000605246482	c1ccncc1
O=C2CN(S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)CCN2	ZINC000061410174	O=C2CN(S(=O)(=O)C1CCS(=O)(=O)C1)CCN2
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N	ZINC000003984017	C1CCOCC1
NC(=O)C(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(N)=O	ZINC000001636745	c1ccccc1
CCOC(=O)c1ccccc1NS(=O)(=O)Cc2ccccc2	ZINC000000029864	O=S(=O)(Cc1ccccc1)Nc2ccccc2
O=S(=O)(Cc1ccccc1)Nn2cnnc2	ZINC000000029867	O=S(=O)(Cc1ccccc1)Nn2cnnc2
COc2cc(OC)cc(C(=O)N1CCN(C=O)CC1)c2	ZINC000000317687	O=C(N1CCNCC1)c2ccccc2
COC(=O)CNC(=O)CNC(=O)CN1CCN(C)C(=O)C1	ZINC000594350649	O=C1CNCCN1
CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c2ccccc2OC(F)F	ZINC000000080155	O=C2NC=CC(c1ccccc1)N2
CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H]2N[C@H](C(O)=O)CS2	ZINC000004696696	O=C(NCC1NCCS1)c2ccccc2
C[C@H](N)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000517577884	C1CCNC1
OC[C@@H](O)[C@H](O)[C@@H](O)CN1CCC(=O)NC1=O	ZINC000141201003	O=C1CCNC(=O)N1
Brc2ccc(n1n[o+]c(=O)[nH]1)cc2	ZINC000000049847	O=c2[nH]n(c1ccccc1)n[o+]2
NC(=O)C2=NCN([C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)C2=O	ZINC000003873264	O=C1C=NCN1C2CCCO2
O=C(NCc1cccnc1)\C=C\c2cccc(N(=O)=O)c2	ZINC000000046732	O=C(NCc1cccnc1)C=Cc2ccccc2
COc3nc(N1CCCC1)nc(n2ccnc2)n3	ZINC000000198393	C3CCN(c2ncnc(n1ccnc1)n2)C3
COc4ccc(n3c(O)c2[nH][nH]c(C(=O)OCc1ccccc1)c2c3=O)cc4	ZINC000000811033	O=C(OCc1ccccc1)c3[nH][nH]c4cn(c2ccccc2)c(=O)c34
ON=C2N[C@@H](c1ccco1)N(O)C2=N	ZINC000000494142	N=C2NC(c1ccco1)NC2=N
CN3CCN(C(=O)[C@H]2[C@@H]1C[C@@H](C=C1)[C@@H]2C(O)=O)CC3	ZINC000000032101	O=C(C1CC2CC1C=C2)N3CCNCC3
O=C1CS(=O)(=O)CC(=O)N1c2ccccc2	ZINC000000405425	O=C1CS(=O)(=O)CC(=O)N1c2ccccc2
CS(=O)(=O)NC2CN(C(=O)[C@@H]1CC(=O)N1)C2	ZINC000628792958	O=C2CC(C(=O)N1CCC1)N2
CN4CCN(c2c1CCCc1nc3ncnn23)CC4	ZINC000000156088	C4Cc3nc1ncnn1c(N2CCNCC2)c3C4
Nc2nnc(SCC(=O)N1CCCC1)s2	ZINC000000105556	O=C(CSc1nncs1)N2CCCC2
CCO[C@@H](CS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O)C3CC3	ZINC000624832926	O=C3NC(=O)C2(CCN(S(=O)(=O)CCC1CC1)CC2)N3
C[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C[C@@]1(C)CO	ZINC000658895399	C1CCNC1
C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@@H]1N2CCOCC2	ZINC000646875580	C2CC(N1CCOCC1)CN2
OCCNC(=O)CNC(=O)[C@H]2CN([C@@H]1CCS(=O)(=O)C1)C(=O)C2	ZINC000378220926	O=C1CCCN1C2CCS(=O)(=O)C2
CS(=O)(=O)CC2(CNC(=O)c1cc(S(N)(=O)=O)ccc1O)CCC2	ZINC000616315758	O=C(NCC1CCC1)c2ccccc2
NS(=O)(=O)c2cccc3c(C(=O)NC[C@@H]1CNC[C@@H]1O)nccc23	ZINC000648133707	O=C(NCC1CCNC1)c2nccc3ccccc23
CCOC(=O)c1nc(C(=O)OCC)nc(C(=O)OCC)n1	ZINC000000478488	c1ncncn1
CN(C)S(=O)(=O)N3CC(NC(=O)C(=O)Nc2c1CCCc1nn2C)C3	ZINC000628032432	O=C(NC1CNC1)C(=O)Nc3[nH]nc2CCCc23
CCCNS(=O)(=O)NCCS(=O)(=O)N(C)C	ZINC000332432859	nonring
OC[C@@H](O)[C@H](O)[C@H](O)c2cn(=O)c1ccccc1n2=O	ZINC000005685451	O=n1ccn(=O)c2ccccc12
CNS(=O)(=O)NCC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1	ZINC000558323388	c1ccccc1
CCS(=O)(=O)NCCS(=O)(=O)NCCO	ZINC000332432854	nonring
OC3(NC(=O)c1ccccn1)C(=O)c2ccccc2C3=O	ZINC000000145972	O=C(NC2C(=O)c1ccccc1C2=O)c3ccccn3
Cc3ccc(C(=O)NC2(O)C(=O)c1ccccc1C2=O)cn3	ZINC000000145974	O=C(NC2C(=O)c1ccccc1C2=O)c3cccnc3
O=C(CN2C(=O)c1ccccc1S2(=O)=O)NC3CC3	ZINC000000479542	O=C(CN2C(=O)c1ccccc1S2(=O)=O)NC3CC3
CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@](C)C1	ZINC000668330145	C1CCNCC1
OC[C@H](O)CNC(=O)[C@H]1CCCNC1=O	ZINC000000192456	O=C1CCCCN1
CN(CC(=O)N1CCNCC1)S(=O)(=O)C2COC2	ZINC000624353379	O=C(CNS(=O)(=O)C1COC1)N2CCNCC2
NC(=O)c2nn(c1ccccc1)nc2N	ZINC000000129252	c2ccc(n1nccn1)cc2
OC(=O)CSc2nc1CCCc1cc2C#N	ZINC000000086906	C2Cc1cccnc1C2
C[C@H](NC(=O)N2CCN(S(=O)(=O)N1CCOCC1)CC2)C(=O)N(C)C	ZINC000046968440	O=S(=O)(N1CCNCC1)N2CCOCC2
CN(C)c1nc(NC(C)=O)nc(N(C)C)n1	ZINC000000243669	c1ncncn1
CCN3CCCN(C(=O)C(=O)N2C[C@@H]1CNC[C@@H]1C2)CC3=O	ZINC000643546404	O=C3CN(C(=O)C(=O)N2CC1CNCC1C2)CCCN3
C[C@@](O)(CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O)CN2CCOCC2	ZINC000533578584	O=C(NCCCN1CCOCC1)NCC2CCCN2
OC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]2CCCN2	ZINC000004899791	O=C(NCCc1cnc[nH]1)C2CCCN2
CN2C(=O)N[C@@]3(O)C(=O)c1ccccc1[C@@]23O	ZINC000000266160	O=C1NC3C(N1)c2ccccc2C3=O
CCN(CC)S(=O)(=O)c2nc1nc(C)cc(C)n1n2	ZINC000000054342	c2cnc1ncnn1c2
O=c2[nH]c(=O)c3cc1c(=O)[nH]c(=O)c1cc23	ZINC000000061493	O=c2[nH]c(=O)c3cc1c(=O)[nH]c(=O)c1cc23
CN(NS(=O)(=O)c1ccc(NC(C)=O)cc1)S(=O)(=O)c2ccc(C)cc2	ZINC000001625010	O=S(=O)(NNS(=O)(=O)c1ccccc1)c2ccccc2
O=C(CNC(=O)[C@@H]1C[N@@]2CCCN1CC2)NCCN3CCOCC3	ZINC000556753975	O=C(CNC(=O)C1CN2CCCN1CC2)NCCN3CCOCC3
COC(=O)[C@]13C[C@H]2C[C@H](C[C@@](C(=O)OC)(C1)C2=O)C3=O	ZINC000000126545	O=C1C2CC3CC1CC(C2)C3=O
NC(=O)c1ccccc1NC(=O)COc2ccc(N(=O)=O)cc2	ZINC000000116335	O=C(COc1ccccc1)Nc2ccccc2
CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSC)C(O)=O)ccc12	ZINC000002115747	O=c2ccc1ccccc1o2
NC(=O)NC(=O)C[C@@H]1NC(=O)NC1=O	ZINC000001738553	O=C1CNC(=O)N1
O=C(NCCS(=O)(=O)NC1CC1)NCC(=O)N2CCCC2	ZINC000642689034	O=C(NCCS(=O)(=O)NC1CC1)NCC(=O)N2CCCC2
CS(=O)(=O)c3ccc2ccn(OC[C@@H]1CO1)c2c3	ZINC000000154243	C1OC1COn2ccc3ccccc23
CS(=O)(=O)n2nc(c1ccccc1)nc2N	ZINC000000350045	c2ccc(c1nc[nH]n1)cc2
CO[C@@H]1[C@@H](OC)N(S(C)(=O)=O)CCN1S(C)(=O)=O	ZINC000004984718	C1CNCCN1
O=CN[C@@H]1CCCCNC1=O	ZINC000000007996	O=C1CCCCCN1
CCOC[C@@H](O)CN2CCN(C(=O)CCn1ccnn1)CC2	ZINC000600157293	O=C(CCn1ccnn1)N2CCNCC2
Cc4cc(N3CCC[C@@H](NC(=O)C(=O)N2CC[C@@H]1CNC[C@@H]12)C3=O)n(C)n4	ZINC000642680284	O=C(NC2CCCN(c1ccn[nH]1)C2=O)C(=O)N4CCC3CNCC34
C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N2CCOCC2	ZINC000047639802	O=C(Cn1ccc(=O)[nH]c1=O)NCCN2CCOCC2
C[C@H]2O[C@H](n1cc(C)c(=O)[nH]c1=O)C[C@H]2O	ZINC000000040163	O=c2ccn(C1CCCO1)c(=O)[nH]2
COC(=O)[C@@H](C)Sc2nc1c(=O)n(C)c(=O)[nH]c1[nH]2	ZINC000000408948	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CN(CC(=O)N1CCOCC1)S(=O)(=O)c2ccccc2	ZINC000000466700	O=C(CNS(=O)(=O)c1ccccc1)N2CCOCC2
CC(=O)c2cccc(OCC(=O)N1CCOCC1)c2	ZINC000000052768	O=C(COc1ccccc1)N2CCOCC2
COCC[N@@](C)CCNC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C	ZINC000647024148	O=C1CNCN1
C[C@@H](O)CNC(=O)C(=O)NCCN1CCOCC1	ZINC000038717970	C1COCCN1
NS(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H](O)CN1CCOCC1)cc2	ZINC000647540314	O=S(=O)(NCCCN1CCOCC1)c2ccccc2
Cn2cc(N(=O)=O)c(C(=O)NCc1ccco1)n2	ZINC000000104449	O=C(NCc1ccco1)c2cc[nH]n2
CN2CCN(N=Cc1c(C)[nH]c(=O)[nH]c1=O)CC2	ZINC000000543354	O=c2[nH]cc(C=NN1CCNCC1)c(=O)[nH]2
COc2cc(NC(=O)C(=O)N[C@@H]1C[C@H](O)C1)[nH]n2	ZINC000627601067	O=C(NC1CCC1)C(=O)Nc2ccn[nH]2
CS(=O)(=O)N[C@@H]2CCN(C(=O)NC[C@H]1CC[C@@H](CO)O1)C2	ZINC000583909008	O=C(NCC1CCCO1)N2CCCC2
COc2cc(OC)c1cc(C(=O)N[C@@H](C)C(=O)NCC(O)=O)n(C)c1c2	ZINC000004000355	c2ccc1[nH]ccc1c2
Cc1noc(C)c1S(=O)(=O)N3CCN(C(=O)[C@@H]2CCCO2)CC3	ZINC000000158013	O=C(C1CCCO1)N3CCN(S(=O)(=O)c2cnoc2)CC3
CC12OC3C(O)C(O1)C(O)C(O2)C3O	ZINC000002541802	C1C2CC3CC1OC(O2)O3
Cn2ncc(N1CCOCC1)c(Cl)c2=O	ZINC000000153046	O=c2cc(N1CCOCC1)cn[nH]2
CNS(=O)(=O)CCN1CCOC[C@@H]1CNS(C)(=O)=O	ZINC000626098471	C1COCCN1
CCOC(=O)CNC(=O)C(=O)NCC(=O)OCC	ZINC000004506238	nonring
CN([C@@H]1CCS(=O)(=O)C1)C(=O)C2(C)CNC2	ZINC000399480286	O=C(NC1CCS(=O)(=O)C1)C2CNC2
COC(=O)CNC(=O)c2ccc(S(=O)(=O)N1CCCC1)cc2	ZINC000000306097	O=S(=O)(N1CCCC1)c2ccccc2
C[C@H]2N(C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)CCNC2=O	ZINC000652424946	O=C2CN(C(=O)C(=O)N1CCNC(=O)C1)CCN2
O=N(=O)c3ccc(\C=N\NC1=NS(=O)(=O)c2ccccc12)o3	ZINC000000084642	O=S3(=O)N=C(NN=Cc1ccco1)c2ccccc23
CNc2nc1n(C)c(=O)[nH]c(=O)c1n2Cc3ccc(F)cc3	ZINC000000119685	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
CN(CC(=O)N1CCNCC1)C(=O)c2cnn(C)c2	ZINC000036285671	O=C(CNC(=O)c1cn[nH]c1)N2CCNCC2
COC(=O)c1ccccc1n2c(=O)ccc2=O	ZINC000000097854	O=c1ccc(=O)n1c2ccccc2
O=C(CSc1nnc3c(n1)[nH]c2ccccc23)NC[C@@H]4CCCO4	ZINC000000051843	O=C(CSc1nnc3c(n1)[nH]c2ccccc23)NCC4CCCO4
C[N@@]3CCC[C@@H](N2CCN(C(=O)C(=O)NC1CNC1)CC2)C3	ZINC000642925086	O=C(NC1CNC1)C(=O)N3CCN(C2CCCNC2)CC3
Nc2ncnc3nc(N1CCCC1)ncc23	ZINC000000131351	C3CCN(c2ncc1cncnc1n2)C3
Nc2ncc(S(=O)(=O)Cc1cccs1)c(N)n2	ZINC000000125959	O=S(=O)(Cc1cccs1)c2cncnc2
CN(C)CCN2C[C@@H](C(=O)N[C@@H]1CCNC(=O)CC1)CC2=O	ZINC000616359025	O=C2CCC(NC(=O)C1CNC(=O)C1)CCN2
COC(=O)c2cc(C(=O)NC[C@@H]1CCCO1)cc(N(=O)=O)c2	ZINC000000060831	O=C(NCC1CCCO1)c2ccccc2
CN(CC(=O)NCC(=O)NCCO)S(=O)(=O)c1cccc(N(=O)=O)c1	ZINC000448267622	c1ccccc1
NC(=O)Cn3ccc(=NC(=O)[C@]12CNC[C@H]1COC2)[nH]3	ZINC000653077250	O=C(N=c1cc[nH][nH]1)C23CNCC2COC3
COC(=O)[C@@H](C)N1CCC[C@H](C(=O)NCCN)C1	ZINC000063179997	C1CCNCC1
CN(C)C(=O)COc1ccccc1C(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622691118	O=C2CN(C(=O)c1ccccc1)CCN2
NC(=O)CN2CCN(C(=O)[C@@H]1COCCO1)CC2=O	ZINC000622691114	O=C2CN(C(=O)C1COCCO1)CCN2
O=C(COc2ccc(NC(=O)c1cccs1)cc2)N3CCOCC3	ZINC000000038356	O=C(COc2ccc(NC(=O)c1cccs1)cc2)N3CCOCC3
NS(=O)(=O)c2ccc1[nH]c(=O)oc1c2	ZINC000000369196	O=c2[nH]c1ccccc1o2
CN(C)CCNc2nnc(NCCN(C)C)c3c(=O)c1ccccc1c(=O)c23	ZINC000000599205	O=c2c1ccccc1c(=O)c3cnncc23
C[C@@H](O)[C@@H]3[C@H]2SC(CN1CCC[C@H]1C(N)=O)=C(C(O)=O)N2C3=O	ZINC000003805103	O=C3CC2SC(CN1CCCC1)=CN23
CC(C)N2C(=O)C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2=O	ZINC000646896575	O=C2CC(NC(=O)C1=CCCCC1)C(=O)N2
C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N2CCC[C@@H]2C(N)=O	ZINC000005957711	O=C2CCC(C(=O)NCC(=O)N1CCCC1)N2
CCC(=O)n2ccc(C(=O)N1CCOCC1)n2	ZINC000000208009	O=C(N1CCOCC1)c2cc[nH]n2
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(O)=O	ZINC000000188828	C1C=CNC=C1
CC[N@]2CC[C@H]1OCCN(CC(=O)NC(N)=O)[C@H]1C2	ZINC000332693165	C2COC1CCNCC1N2
NNS(=O)(=O)c1cccc2cccnc12	ZINC000000193260	c2ccc1ncccc1c2
CN2CCN(C(=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O)CC2	ZINC000020713713	O=C(Nc1c[nH]c(=O)[nH]c1=O)C(=O)N2CCNCC2
COc2ccc(NC=O)c(CS(=O)(=O)c1ccc(C)cc1)n2	ZINC000000116107	O=S(=O)(Cc1ccccn1)c2ccccc2
CNS(=O)(=O)NCC(=O)NCC[C@@](C)(O)COC	ZINC000568145349	nonring
CN(C)c2nc1n(C)c(=O)n(C)c(=O)c1n2CC(=O)c3ccccc3	ZINC000000082941	O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c12)c3ccccc3
C[C@@H]2CCCN(C(=O)C(=O)N1CCN(C)C(=O)C1)[C@@H]2CN	ZINC000643593285	O=C2CN(C(=O)C(=O)N1CCCCC1)CCN2
C[C@@H](NC(=O)[C@H]2CN(C1CC1)C(=O)C2)C(=O)NCCN(C)C	ZINC000583944564	O=C1CCCN1C2CC2
COc2ccc(OC[C@@H](O)CNS(=O)(=O)c1ccccc1)cc2	ZINC000000151775	O=S(=O)(NCCCOc1ccccc1)c2ccccc2
COc1cc(C(=O)NC(=S)NC(N)=O)cc(OC)c1OC	ZINC000000066965	c1ccccc1
CCOC(=O)C3=C1NCCN1C(=O)[C@@H](NC(=O)c2ccccc2)[C@@]3(C)COC(C)=O	ZINC000000641288	O=C(NC2CC=C1NCCN1C2=O)c3ccccc3
COC[C@@H](CNS(C)(=O)=O)NS(C)(=O)=O	ZINC000332459562	nonring
CC(C)[C@H]2CN(C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1)CCN2	ZINC000643592489	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000580173940	C1CNCCN1
Nc2nc(N)nc(NCCCN1CCNC(=O)C1)n2	ZINC000624061177	O=C2CN(CCCNc1ncncn1)CCN2
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(CC(N)=O)CC1	ZINC000624687390	C1CNCCN1
CCC[N@]2CC[C@@H](NC(=O)Cn1[nH]nnc1=N)C2	ZINC000584901780	N=c1nn[nH]n1CC(=O)NC2CCNC2
CNS(=O)(=O)c1cccc(S(=O)(=O)NCCCNS(C)(=O)=O)c1	ZINC000145370626	c1ccccc1
O=C2CN(CCNCCN1CC(=O)NC1=O)C(=O)N2	ZINC000038647621	O=C2CN(CCNCCN1CC(=O)NC1=O)C(=O)N2
CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@H]1CS(=O)(=O)CCO1	ZINC000428979719	O=S1(=O)CCOCC1
CNC(=O)NC[C@@H]2CN(C(=O)C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1)CCO2	ZINC000625716682	O=C(N1CCCC1)C(=O)N2CCOCC2
CCOC(=O)c2[nH][nH]c3c(O)n(c1ccsc1C(=O)OC)c(=O)c23	ZINC000001404792	O=c2n(c1ccsc1)cc3[nH][nH]cc23
CC(=C)Cn1c(NN)nc2n(C)c(=O)n(C)c(=O)c12	ZINC000000380575	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CS(=O)(=O)OCCN1C(=O)CNC1=O	ZINC000001561258	O=C1CNC(=O)N1
CNC(=O)[C@@H](C)NC(=O)CN1CCNCC1	ZINC000042573019	C1CNCCN1
CN(Cc1ccncc1)C(=O)[C@H]2O[C@@H](CN)[C@H](O)[C@@H](O)[C@H]2O	ZINC000585286850	O=C(NCc1ccncc1)C2CCCCO2
Cc2nn(C)c3SC(N1CCOCC1)=NS(=O)(=O)c23	ZINC000000141870	O=S3(=O)N=C(N1CCOCC1)Sc2[nH]ncc23
CS(=O)(=O)N2CCN(CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2	ZINC000667062552	O=C(NCCN1CCNCC1)C2=CCCCC2
COc2ccc(N[C@H]1C[C@H](O)[C@H](CO)O1)cc2	ZINC000000219946	C2COC(Nc1ccccc1)C2
CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]2CN(C)C(=O)N2	ZINC000616434446	O=C2NCC(C(=O)N1CCS(=O)(=O)CC1)N2
CCOC(=O)c1cnn2c(N)c(C#N)nnc12	ZINC000000250357	c2cc1nnccn1n2
Nc2cc(N1CCCCC1)nc(N)n2=O	ZINC000000001735	O=n2ccc(N1CCCCC1)nc2
Cc3nc1NC(=O)COc1c(N2CCOCC2)n3	ZINC000000185710	O=C1COc2c(N1)ncnc2N3CCOCC3
C[C@@H](NC(=O)CN(C)C1CNC1)C(=O)N(C)C	ZINC000357089344	C1CNC1
CCNS(=O)(=O)c2ccc(NC(=O)c1nn(C)c(C)c1N(=O)=O)cc2	ZINC000000675822	O=C(Nc1ccccc1)c2cc[nH]n2
Cn2cc(Cc1cn(C)c(=O)n(C)c1=O)c(=O)n(C)c2=O	ZINC000012505565	O=c2[nH]cc(Cc1c[nH]c(=O)[nH]c1=O)c(=O)[nH]2
CN(C)[C@]2(CNC(=O)C(=O)N(C)CCN1CCOCC1)CCSC2	ZINC000583336520	O=C(NCCN1CCOCC1)C(=O)NCC2CCSC2
C[C@](N)(C1CC1)C(=O)N2CCN(S(N)(=O)=O)CC2	ZINC000038101546	O=C(CC1CC1)N2CCNCC2
CC(C)NCC(=O)N1CCN(S(N)(=O)=O)CC1	ZINC000038101541	C1CNCCN1
C[C@H](O)[C@H](O)[C@@H]2CNc1nc(N)[nH]c(=O)c1N2C(=O)c3cccnc3	ZINC000002077967	O=C(N1CCNc2nc[nH]c(=O)c12)c3cccnc3
O=N(=O)c3ccc2c(=O)n(c1c[nH]c(=O)[nH]c1=O)c(=O)c2c3	ZINC000000059044	O=c3[nH]cc(n2c(=O)c1ccccc1c2=O)c(=O)[nH]3
CCOC(=O)C[C@@H](O)C(=O)N1C[C@H](O)[C@@H](O)C1	ZINC000600216723	C1CCNC1
O=c3n(CC1CC1)c(=O)c2nc[nH]c2n3CC4CC4	ZINC000000004522	O=c3n(CC1CC1)c(=O)c2nc[nH]c2n3CC4CC4
Cc2ccc(S(=O)(=O)Nc1c[nH]c(=O)[nH]c1=O)cc2	ZINC000000138817	O=c2[nH]cc(NS(=O)(=O)c1ccccc1)c(=O)[nH]2
COc3ccc([C@H]2C1C(=O)NC(=O)N=C1OC(N)=C2C#N)cc3	ZINC000000521844	O=C3NC(=O)C2C(c1ccccc1)C=COC2=N3
Cn2c(=O)[nH]c(NCc1ccccc1)c(NC=O)c2=O	ZINC000000330348	O=c2cc(NCc1ccccc1)[nH]c(=O)[nH]2
CC(=O)Nc2ccc([C@@H]1NC(=O)CC[C@@H]1N(=O)=O)cc2	ZINC000000098910	O=C2CCCC(c1ccccc1)N2
COc2cncc(C(=O)N1CCN(CC(N)=O)C(=O)C1)n2	ZINC000622691545	O=C2CN(C(=O)c1cnccn1)CCN2
C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1	ZINC000000062264	C1NCNCN1
CCOC(=O)[C@@H]2CC(CC1OCCO1)=NO2	ZINC000000106392	C2CC(CC1OCCO1)=NO2
COC(=O)[C@H](C)NS(=O)(=O)[C@@H](C)C(=O)N(C)C	ZINC000332463713	nonring
NC(=O)CSc1nc(CC(=O)NCC=C)cc(=O)[nH]1	ZINC000022628847	O=c1ccnc[nH]1
CCNC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]1CN(C)CCO1)CC2	ZINC000671977278	O=C(NCC1CNCCO1)C(=O)N2CCNCC2
Cc1cncc([C@@H](O)[C@H](O)[C@H](O)CO)n1	ZINC000003635383	c1cnccn1
CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1OS(C)(=O)=O	ZINC000004994956	C1CCOCC1
COc1ccccc1OCC(=O)Nc2cc(N(=O)=O)ccc2F	ZINC000000038502	O=C(COc1ccccc1)Nc2ccccc2
COCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000584880751	O=S1(=O)CCCC1
CCCn1c(N)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000369856	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
O=C(CNN[C@@H]1CCS(=O)(=O)C1)N[C@@H]2CCS(=O)(=O)C2	ZINC000039287102	O=C(CNNC1CCS(=O)(=O)C1)NC2CCS(=O)(=O)C2
Cn3cnn(CC(=O)N2CC[N@]1C[C@H](O)C[C@H]1C2)c3=O	ZINC000655295385	O=C(Cn1nc[nH]c1=O)N3CCN2CCCC2C3
Cc3ccc(c2nnn(CC(=O)NC[C@@H]1COCCO1)n2)o3	ZINC000000378669	O=C(Cn2nnc(c1ccco1)n2)NCC3COCCO3
COC(=O)[C@@H](O)[C@@H]1COC(C)(C)O1	ZINC000000155929	C1COCO1
COC(=O)c2ccc(=O)n(CCn1cc(C(=O)OC)ccc1=O)c2	ZINC000000487095	O=c1ccccn1CCn2ccccc2=O
CCN2C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(C(=O)OC)=C2C	ZINC000000067375	O=C2NC=CC(c1ccccc1)N2
CC(=O)NC(C(=O)NCCO)C(=O)NCCO	ZINC000001681181	nonring
COCCN[C@@H]1[C@@H](O)[C@H](N)[C@H]2CO[C@@H]1O2	ZINC000012483792	C1CC2COC(C1)O2
O=C(N(CC#N)CC#N)c1cccc(C(=O)N(CC#N)CC#N)c1	ZINC000000029335	c1ccccc1
COc2ccc(N(C)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)cc2	ZINC000000423301	O=c2[nH]cc(S(=O)(=O)Nc1ccccc1)c(=O)[nH]2
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCNS(=O)(=O)NC(C)C	ZINC000661081972	O=S1(=O)CCCC1
Cn1c(=O)[nH]c(=O)c(=CNC(N)=NN(=O)=O)c1=O	ZINC000408536727	C=c1c(=O)[nH]c(=O)[nH]c1=O
OC(=O)c1ccccc1C(=O)Nc3ccc2ncccc2c3	ZINC000000042993	O=C(Nc2ccc1ncccc1c2)c3ccccc3
COC(=O)[C@@H]1CNC(=O)CN1CC(=O)NC(N)=O	ZINC000447906709	O=C1CNCCN1
O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]2CNCCO2	ZINC000043707617	O=C(NC1CCS(=O)(=O)C1)C2CNCCO2
COC(=O)C1=CN(N(C(C)=O)C(C)=O)C(=O)CC1	ZINC000000269719	O=C1CCC=CN1
CC[C@@H](CCO)NC(=O)CS(=O)(=O)NC	ZINC000332480528	nonring
CCn1cnc(C(=O)NC)c1C(=O)NC	ZINC000000004504	c1c[nH]cn1
O=C(Cn1cc(N(=O)=O)cn1)NC[C@@H]2CCCO2	ZINC000000053502	O=C(Cn1cccn1)NCC2CCCO2
OC[C@@H]2OC(c1ccccc1)O[C@H]2CO	ZINC000000120384	C2COC(c1ccccc1)O2
CC2(C)CN(C(=O)C(=O)N1CCNCC1)CCN2CCO	ZINC000643571184	O=C(N1CCNCC1)C(=O)N2CCNCC2
CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2=O	ZINC000000179245	O=C1C2CNCC1CNC2
CS(=O)(=O)N2CCC[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2	ZINC000097922870	O=C(CC1NC(=O)NC1=O)NC2CCCNC2
NS(=O)(=O)N3CCC[C@@H](C(=O)N[C@@H]2[C@H]1CNC[C@H]12)C3	ZINC000662779273	O=C(NC2C1CNCC12)C3CCCNC3
C[C@@H](CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)S(N)(=O)=O	ZINC000561890796	nonring
CCOC(=O)C2(C(=O)NCCc1nc(=O)o[nH]1)CCC2	ZINC000447637023	O=C(NCCc1nc(=O)o[nH]1)C2CCC2
CN2C(=O)N[C@@]1(N(C)C(=O)N(C)C1=O)C2=O	ZINC000001568873	O=C1NC(=O)C2(N1)NC(=O)NC2=O
OC[C@@H]2O[C@@H](n1cccnc1=O)[C@H](O)[C@@H]2O	ZINC000001568870	O=c1ncccn1C2CCCO2
C[C@@H]2O[C@H](N1C[C@H](F)[C@H](N)NC1=O)[C@@H](O)[C@@H]2O	ZINC000504674756	O=C1NCCCN1C2CCCO2
NC(=O)CN(CC(N)=O)S(=O)(=O)c1cccc(N)c1	ZINC000036375590	c1ccccc1
CCN(CCN)C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1	ZINC000629793806	C1COCCN1
COC(=O)COCC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1	ZINC000600233643	C1COCCN1
NC(=O)C(Sc1ncnn1C(C(N)=O)C(N)=O)C(N)=O	ZINC000016546176	c1nc[nH]n1
CN(C[C@@H]1CNC(=O)O1)CC(=O)N2CCNCC2	ZINC000038031510	O=C2NCC(CNCC(=O)N1CCNCC1)O2
OC[C@H]3O[C@@H](N2C=C[C@@H]1C(=O)N=CN=C12)[C@H](O)[C@@H]3O	ZINC000009682964	O=C1N=CN=C2C1C=CN2C3CCCO3
O=C(N1CCOCC1)c3ccc(S(=O)(=O)N2CCOCC2)o3	ZINC000000118148	O=C(N1CCOCC1)c3ccc(S(=O)(=O)N2CCOCC2)o3
NC(=O)C2CCN(C[C@@H](O)COc1ccc(F)cc1)CC2	ZINC000000118412	C2CCN(CCCOc1ccccc1)CC2
COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000560315305	c1ccccc1
C[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)S(C)(=O)=O	ZINC000559605155	c1ccccc1
CN(C)\C=C\C(=O)c2cn(c1cccnc1Cl)c(=O)n(C)c2=O	ZINC000000169151	O=c2ccn(c1cccnc1)c(=O)[nH]2
ONC(=O)c1cccc(C(=O)NO)n1	ZINC000000204059	c1ccncc1
Cn3c(=O)[nH]c(=O)c4n(C[C@@H](O)COc1ccc(Cl)cc1)c(N2CCCC2)nc34	ZINC000000629379	O=c4[nH]c(=O)c3n(CCCOc1ccccc1)c(N2CCCC2)nc3[nH]4
C[C@@H](CC(N)=O)C(C#N)(C#N)C(N)=O	ZINC000001747107	nonring
CCNc1cc(=O)n(C)c(=O)[nH]1	ZINC000000284299	O=c1cc[nH]c(=O)[nH]1
CC(=O)OCCn2nc(C)c1ccccc1c2=O	ZINC000000052754	O=c1[nH]ncc2ccccc12
CC(=O)O[C@@H]1OCCO[C@H]1OC(C)=O	ZINC000000370198	C1COCCO1
NC(=O)c2cnn(c1ccc(C(F)(F)F)cn1)c2N	ZINC000000125727	c2ccc(n1cccn1)nc2
CC[C@H](N2CCN(C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)CC2)C(=O)OC	ZINC000410452642	O=C(N1CCNCC1)C(=O)N2CCOCC2
Nc1cc(=O)[nH]c(=O)n1Cc2ccccc2	ZINC000000134154	O=c2ccn(Cc1ccccc1)c(=O)[nH]2
O=C(NCCNS(=O)(=O)c1cccnc1)NCCN2CCCS2(=O)=O	ZINC000448220463	O=C(NCCNS(=O)(=O)c1cccnc1)NCCN2CCCS2(=O)=O
CNS(=O)(=O)CCNC(=O)[C@@H](C)COC	ZINC000332470100	nonring
CC3(C)CN(C(=O)c2nc1NCCCn1n2)C[C@@H](CO)O3	ZINC000616367528	O=C(N1CCOCC1)c3nc2NCCCn2n3
CNS(=O)(=O)NCC(=O)N(C)CC(=O)N1CCOCC1	ZINC000407996833	C1COCCN1
CNS(=O)(=O)NC3CCN(C(=O)Cn2nc1CCCCn1c2=O)CC3	ZINC000651952734	O=C(Cn2nc1CCCCn1c2=O)N3CCCCC3
COCC[N@@](C)CCNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1	ZINC000560940198	C1CCNCC1
COC(=O)c2ccc(CNC1CN(S(=O)(=O)N(C)C)C1)[nH]2	ZINC000600215875	C1NCC1NCc2ccc[nH]2
CNS(=O)(=O)NCC(CNS(=O)(=O)NC)OC	ZINC000671682724	nonring
CNCCNC(=O)N2CC(S(=O)(=O)N1CCNCC1)C2	ZINC000332003474	O=S(=O)(C1CNC1)N2CCNCC2
O=C2CN(CCN1CC(=O)NC(=O)C1)CC(=O)N2	ZINC000019367672	O=C2CN(CCN1CC(=O)NC(=O)C1)CC(=O)N2
CNS(=O)(=O)N2CCN(C(=O)[C@@H]1COCCN1C)CC2	ZINC000564842667	O=C(C1COCCN1)N2CCNCC2
CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c2ccc(OC)cc2	ZINC000000113147	O=S(=O)(NCc1ccccc1)c2ccccc2
O=C3NC(=O)C2(CCN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2)N3	ZINC000097529116	O=C3NC(=O)C2(CCN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2)N3
Cn3c(=O)n(C)c2nc1ccccc1nc2c3=O	ZINC000000291343	O=c3[nH]c(=O)c2nc1ccccc1nc2[nH]3
O=C3[C@H]2[C@H]1O[C@H](C=C1)[C@H]2C(=O)N3n4cnnc4	ZINC000000372284	O=C3C2C1OC(C=C1)C2C(=O)N3n4cnnc4
CCN2CCC([N@]1CCC[C@@H](C(=O)N(CC)CC)C1)CC2	ZINC000000280575	C2CCN(C1CCNCC1)CC2
OCC(CO)C(C(CO)CO)c1ccccc1	ZINC000000351263	c1ccccc1
Cc2cn([C@H]1C[C@@H](N)[C@@H](CO)O1)c(=O)nc2N	ZINC000029408147	O=c1ncccn1C2CCCO2
Cc2cn([C@@H]1C[C@H](O)[C@H](CO)O1)c(=O)n3nnnc23	ZINC000001620003	O=c2n(C1CCCO1)ccc3nnnn23
Cn3c(=O)n(C)c2cn(c1ccccc1N)cc2c3=O	ZINC000000190218	O=c3[nH]c(=O)c2cn(c1ccccc1)cc2[nH]3
CCN(C)C(=O)CNC(=O)C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2	ZINC000419186076	O=S(=O)(C1CNC1)N2CCNCC2
COC(=O)C(C(C)=O)=C(O)c1ccc(Br)cc1	ZINC000000126569	c1ccccc1
NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O	ZINC000004899448	C1CCNC1
COc2cc(=NC(=O)N1CCN(CCN(C)C)C(=O)C1)[nH]n2C	ZINC000650134371	O=C2CN(C(=O)N=c1cc[nH][nH]1)CCN2
N[C@H]3C[C@@H]2CN(S(=O)(=O)c1cccc(N)c1)CCN2C3=O	ZINC000583946057	O=C3CCC2CN(S(=O)(=O)c1ccccc1)CCN23
CC(C)NC[C@@H](O)COc1ccccc1C2CC2	ZINC000000000659	C1CC1c2ccccc2
N[C@H](CC(N)=O)C(=O)N2CCN(c1ccc(N(=O)=O)nc1)CC2	ZINC000320281049	C2CN(c1cccnc1)CCN2
CC(C)N(CC(N)=O)[C@H]1CS(=O)(=O)C[C@@H]1N	ZINC000054493363	O=S1(=O)CCCC1
COCC[N@]1CCC[C@@H]1CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2	ZINC000668261986	O=C(NCC1CCCN1)C2=CCCCC2
NC(=O)CCN(CCC(N)=O)S(=O)(=O)c1ccc(N)cc1	ZINC000002240175	c1ccccc1
NC(=O)CN(CC(N)=O)CC(=O)N1CCCNCC1	ZINC000061807348	C1CNCCNC1
CC2(C)OC(=O)C(=C1NCCN1)C(=O)O2	ZINC000000352557	O=C1OCOC(=O)C1=C2NCCN2
CCOC(=O)CSC[C@@H]1NC(=O)NC1=O	ZINC000000487954	O=C1CNC(=O)N1
CN(C)C(=O)NCCN(C)C(=O)C(C)(C)NS(C)(=O)=O	ZINC000332481452	nonring
COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)N2CCS(=O)(=O)CC2	ZINC000447929759	O=C2CN(S(=O)(=O)N1CCS(=O)(=O)CC1)CCN2
COC(=O)c2ccc1SCC(=O)N(CC(N)=O)c1c2	ZINC000000221190	O=C2CSc1ccccc1N2
NC(=O)CC[N@@](CCCS(O)(=O)=O)CC(N)=O	ZINC000005369056	nonring
O[C@@H]3CN(Cc1c[nH]nn1)CCN(C(=O)CN2CC(=O)NC2=O)C3	ZINC000097425262	O=C3CN(CC(=O)N2CCCN(Cc1c[nH]nn1)CC2)C(=O)N3
Cn2c(=O)ccn(CC(=O)N1CCN(CC(N)=O)CC1)c2=O	ZINC000052983926	O=C(Cn1ccc(=O)[nH]c1=O)N2CCNCC2
NC(=O)[C@@H]1CC(O)C[C@@H](C(N)=O)O1	ZINC000005031776	C1CCOCC1
CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCN(CC(F)F)C1	ZINC000616348925	C1CCNC1
C\C(Cl)=C\Cn1c(N)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000040109	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Nc1[nH]c(=O)[nH]c(=O)c1S(N)(=O)=O	ZINC000004758234	O=c1cc[nH]c(=O)[nH]1
O[C@@H]2CC(C(=O)N[C@@H]1CCN(CC(F)F)C1)=C[C@@H](O)[C@H]2O	ZINC000616348929	O=C(NC1CCNC1)C2=CCCCC2
COC(=O)CNC(=O)c1ccc(F)cc1	ZINC000000077575	c1ccccc1
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)C(=O)N3C[C@@H]4CCC[C@H](C3)N4	ZINC000643553819	O=C1NCC2C1CCCN2C(=O)C(=O)N3CC4CCCC(C3)N4
CN(C)CCN3CCN(C(=O)c2nc1NCCCn1n2)CC3=O	ZINC000616519375	O=C3CN(C(=O)c2nc1NCCCn1n2)CCN3
COC(=O)C(N1C(=O)CCC1=O)C(=O)OC	ZINC000002857401	O=C1CCC(=O)N1
COc2nc1[nH]c(=O)n(C)c(=O)c1n2C	ZINC000001848426	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CCOC(=O)Cn1cc(N(=O)=O)cn1	ZINC000000028379	c1cn[nH]c1
Nc2nc1n([C@@H](CO)OC(CO)CO)cnc1c(=O)[nH]2	ZINC000001607547	O=c1[nH]cnc2[nH]cnc12
CO[C@]12N(C)C(=O)N(C)C(=O)[C@@]1(OC)N(C)C(=O)N2C	ZINC000000339593	O=C2NC1NC(=O)NC(=O)C1N2
OC[C@H](O)Cn1cnc2[nH]c(=O)[nH]c(=O)c12	ZINC000003882072	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Cn3c(=O)n(C)c2nc1n(C)c(=O)n(C)c(=O)c1cc2c3=O	ZINC000001556797	O=c3[nH]c(=O)c2cc1c(=O)[nH]c(=O)[nH]c1nc2[nH]3
CCOC(=O)\C=C(/C)n2cc1c(=O)n(C)c(=O)n(C)c1n2	ZINC000000355025	O=c2[nH]c(=O)c1c[nH]nc1[nH]2
CCN(C)C(=O)[C@@H](C)NC(=O)CS(=O)(=O)NC	ZINC000332504620	nonring
CC(=O)NC[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](NC(C)=O)[C@H]1NC(C)=O	ZINC000005639313	C1CCOCC1
Cn2cc(S(=O)(=O)N1CCN(CCO)CC1)cc2C(N)=O	ZINC000035119880	O=S(=O)(N1CCNCC1)c2cc[nH]c2
CC2=C(C(N)=O)[C@@H](c1ccccc1)NC(=O)N2	ZINC000000118313	O=C2NC=CC(c1ccccc1)N2
CN2C(=O)C[C@@H](NC(=O)Cn1c(=O)n(C)c(=O)c1=O)C2=O	ZINC000655060941	O=C2CC(NC(=O)Cn1c(=O)[nH]c(=O)c1=O)C(=O)N2
O=C2NC(=O)[C@@H]1C3C=CC([C@@H]12)[C@@H]4[C@H]3C(=O)NC4=O	ZINC000001586044	O=C2NC(=O)C1C3C=CC(C12)C4C3C(=O)NC4=O
Cn2c(=O)n(C)c1ncn(C[C@@H](O)CO)c1c2=O	ZINC000000057147	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Cn1ncnc1SCc3cn2cccnc2n3	ZINC000000097837	C(Sc1ncn[nH]1)c3cn2cccnc2n3
NS(=O)(=O)c2ccc(NCC(=O)N1CCNCC1)c(N(=O)=O)c2	ZINC000319698965	O=C(CNc1ccccc1)N2CCNCC2
NC(=O)C3CCN(Cc1nnnn1Cc2ccccc2)CC3	ZINC000000413437	C3CCN(Cc1nnnn1Cc2ccccc2)CC3
CCOC(=O)[C@@](Nc1ncccn1)(NS(=O)(=O)c2ccccc2)C(F)(F)F	ZINC000002050603	O=S(=O)(NCNc1ncccn1)c2ccccc2
COCc3nnc(NC(=O)CCn2c(=O)c1ccccc1c2=O)s3	ZINC000000149507	O=C(CCn2c(=O)c1ccccc1c2=O)Nc3nncs3
NC(=O)Nc2ccc(S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)cc2	ZINC000001863777	O=S(=O)(Nc1ccccc1)c2ccccc2
O=C(N1CCS(=O)(=O)CC1)[C@]23CNC[C@H]2COC3	ZINC000653085730	O=C(N1CCS(=O)(=O)CC1)C23CNCC2COC3
O=C2CN(S(=O)(=O)c1ccccc1)CC(=O)N2	ZINC000000134970	O=C2CN(S(=O)(=O)c1ccccc1)CC(=O)N2
O=C(NCCCN1C(=O)CNC1=O)NCCS(=O)(=O)N2CCSCC2	ZINC000594824605	O=C(NCCCN1C(=O)CNC1=O)NCCS(=O)(=O)N2CCSCC2
CC(C)(C)NC(=O)Cn1cnc(N(=O)=O)n1	ZINC000000035122	c1nc[nH]n1
C[C@@H]2CNC(=NS(=O)(=O)c1ccccc1)N2	ZINC000000137952	O=S(=O)(N=C1NCCN1)c2ccccc2
CNS(=O)(=O)NCC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O	ZINC000332472286	nonring
N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O	ZINC000002522642	c1c[nH]cn1
COC[C@@H](C)NC(=O)c1ccc(OC(C)=O)cc1	ZINC000000031666	c1ccccc1
Cn1c[n+](CC#N)c2c(=O)n(C)c(=O)n(C)c12	ZINC000000383221	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CN(C)S(=O)(=O)CC(=O)NC[C@H]1CC[C@H](CO)O1	ZINC000356515815	C1CCOC1
NCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1	ZINC000037902478	O=c1cc[nH]c(=O)[nH]1
CCOC2(CS(=O)(=O)NCCN1CCNC(=O)C1)CCOCC2	ZINC000625124259	O=C2CN(CCNS(=O)(=O)CC1CCOCC1)CCN2
CNS(=O)(=O)c2cccc(NC(=O)CNC(=O)[C@@H]1CC(=O)N1)c2	ZINC000668277533	O=C(CNC(=O)C1CC(=O)N1)Nc2ccccc2
Cc2nn(C)c(n1cccn1)c2C(=O)N3CCN(CC(N)=O)C(=O)C3	ZINC000622691399	O=C3CN(C(=O)c1cn[nH]c1n2cccn2)CCN3
NC(=O)[C@@H]1C(=S)NC(=O)C(C#N)C12CCCCC2	ZINC000000032867	O=C2CC1(CCCCC1)CC(=S)N2
CC(C)N2C[C@@H](NC(=O)C(=O)NC1CNC1)CC2=O	ZINC000562827846	O=C2CC(NC(=O)C(=O)NC1CNC1)CN2
CNc2nc1n(C)c(=O)n(C)c(=O)c1n2C(C)C	ZINC000000352315	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CC(=O)Nc2ccc(NC(C)=O)c(N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)c2	ZINC000000517825	C2CCC(Nc1ccccc1)OC2
COC(=O)\C=c2\s\c(=C(\C#N)C(N)=O)n(c1ccccc1)c2=O	ZINC000000554973	C=c1sc(=C)c(=O)n1c2ccccc2
CC3=C(C(N)=O)[C@@H](c1ccc(O)cc1)n2[nH]cnc2=N3	ZINC000000071429	C3=CC(c1ccccc1)n2[nH]cnc2=N3
CN(C)CCc2[nH]c1ccc(C)cc1c2CC#N	ZINC000000028969	c2ccc1[nH]ccc1c2
O=C(NC[C@@H]1CCCO1)c3ccc(NC(=O)c2cccs2)cc3	ZINC000000028967	O=C(NCC1CCCO1)c3ccc(NC(=O)c2cccs2)cc3
C[C@@H]1C[C@@H](O)CN1C(=O)CCNS(C)(=O)=O	ZINC000530468736	C1CCNC1
CCOC(=O)C1=C(CN(CC)CC)N(C)C(=O)N[C@@H]1c2ccccc2	ZINC000000033404	O=C2NC=CC(c1ccccc1)N2
CC2(C)OC[C@H]([C@H](O)[C@H]1OC(C)(C)O[C@@H]1CO)O2	ZINC000000056847	C2OCC(CC1COCO1)O2
CCSC1=NCN(CCCC(O)=O)CN1	ZINC000000371907	C1NCN=CN1
CC(=O)Nc2nc(NC(C)=O)nc(c1ccccn1)n2	ZINC000000188114	c2ccc(c1ncncn1)nc2
CN(C)S(=O)(=O)CC(=O)N1CC(O)(CO)C1	ZINC000615433559	C1CNC1
COc2cc(C(=O)Nc1nccs1)cc(OC)c2OC	ZINC000000045264	O=C(Nc1nccs1)c2ccccc2
C[C@@H](C(=O)N1CCN(C=O)CC1)n3c(=O)c2ccccc2c3=O	ZINC000000290751	O=C(Cn2c(=O)c1ccccc1c2=O)N3CCNCC3
Cc1ccc(Cl)cc1NC(=O)C[C@@H](NCc2ccccn2)C(O)=O	ZINC000000202874	O=C(CCNCc1ccccn1)Nc2ccccc2
CN2CCN(C(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1)CC2	ZINC000120940290	O=C(CN1CCCCC1)N2CCNCC2
OC(=O)c2cnn(c1ccccc1)c2C(F)(F)F	ZINC000000057710	c2ccc(n1cccn1)cc2
O[C@H]1CNC[C@H]1CNC(=O)CCN3CCN(C(=O)[C@@H]2CCCO2)CC3	ZINC000648133516	O=C(CCN2CCN(C(=O)C1CCCO1)CC2)NCC3CCNC3
NC(=O)[C@@H]2CCCN(C(=O)[C@@H]1C[C@H](O)CN1)C2	ZINC000036906951	O=C(C1CCCN1)N2CCCCC2
CN(C)CCNC(=O)C3CCN(c2nc1ccccc1o2)CC3	ZINC000000218568	C3CCN(c2nc1ccccc1o2)CC3
NC(=O)[C@H]3C[C@@H](NC(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)C3	ZINC000652230387	O=C(NC1CCC1)N3CC(S(=O)(=O)N2CCNCC2)C3
O=C1CCCN1c3ccc(S(=O)(=O)N2CCOCC2)cc3	ZINC000000188710	O=C1CCCN1c3ccc(S(=O)(=O)N2CCOCC2)cc3
COC(=O)Cn2n(CC(=O)OC)c(=O)n(c1ccccc1)c2=O	ZINC000000054198	O=c1[nH][nH]c(=O)n1c2ccccc2
O=C1NCCN1CCNC(=S)NC2CC2	ZINC000000147102	O=C1NCCN1CCNC(=S)NC2CC2
CC(=C)Cn1cnc2n(C)c(=O)n(C)c(=O)c12	ZINC000000380559	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
OC[C@@H]2O[C@H](Nc1cccc(N(=O)=O)c1)[C@H](O)[C@@H]2O	ZINC000000135497	C2COC(Nc1ccccc1)C2
O=C(CNC(=O)c1cccs1)NC2=NCCS2	ZINC000000187638	O=C(CNC(=O)c1cccs1)NC2=NCCS2
CCN2CCN(CC(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)C2=O	ZINC000068485261	O=C(CN1CCNC(=O)C1=O)NCCS(=O)(=O)NCC2CCC2
NCCNC(=O)C(=O)N1CCCC[C@H]1C(N)=O	ZINC000042405116	C1CCNCC1
O=C1CNC(=O)N1N=c2c(=O)[nH]c3ccccc23	ZINC000000045671	O=C1CNC(=O)N1N=c2c(=O)[nH]c3ccccc23
COC(=O)CNS(=O)(=O)c1ccccc1N(=O)=O	ZINC000000183391	c1ccccc1
COc2ccc(S(=O)(=O)n1cc(F)c(=O)[nH]c1=O)cc2	ZINC000000346297	O=c2ccn(S(=O)(=O)c1ccccc1)c(=O)[nH]2
Nc3c1c(=O)[nH]c(=O)c1c(N)c4c(=O)c2ccccc2c(=O)c34	ZINC000000208158	O=c3[nH]c(=O)c4cc2c(=O)c1ccccc1c(=O)c2cc34
CCNC(=O)C(C)(C)CNC(=O)CS(=O)(=O)NC	ZINC000332503531	nonring
O=c3n(n2c(=O)c1cccnc1c2=O)c(=O)c4ccccc34	ZINC000000110443	O=c3n(n2c(=O)c1cccnc1c2=O)c(=O)c4ccccc34
CCOC(=O)c2nc(N)c(=O)n(c1ccccc1)n2	ZINC000000210592	O=c1cncnn1c2ccccc2
CC(=O)N2[C@H]1[C@H](N(C(C)=O)C(=O)N1N(=O)=O)N(N(=O)=O)C2=O	ZINC000002352471	O=C2NC1NC(=O)NC1N2
C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1	ZINC000628215278	C1CCNCC1
CNS(=O)(=O)NCCC(=O)N1CCN(C(C)=O)CC1	ZINC000062439896	C1CNCCN1
NC(=O)[C@H]2O[C@@H](n1ccc(=O)[nH]c1=O)C[C@@H]2O	ZINC000014963449	O=c2ccn(C1CCCO1)c(=O)[nH]2
Cc4cccc(N1CCn2c1nc3n(C)c(=O)n(C)c(=O)c23)c4	ZINC000000093471	O=c4[nH]c(=O)c3n2CCN(c1ccccc1)c2nc3[nH]4
CNS(=O)(=O)CCN(C)Cc1n[nH]c(=O)o1	ZINC000621304099	O=c1[nH]nco1
CC(=O)N[C@H]1CN(CCO)[C@H](CO)[C@H](O)[C@@H]1O	ZINC000201813690	C1CCNCC1
Cc2cc1CCCS(=O)(=O)c1cc2S(N)(=O)=O	ZINC000000001718	O=S2(=O)CCCc1ccccc12
CC2(C)[C@]3(C#N)C(N)=NC1(OCCO1)[C@]23C#N	ZINC000000268217	C1COC3(O1)N=CC2CC23
CN2CC[C@@H](NC(=O)CN1CCNCC1=O)C2=O	ZINC000430540824	O=C(CN1CCNCC1=O)NC2CCNC2=O
Cc1sc(NC(=O)/C=C/C(O)=O)c(C#N)c1C	ZINC000000051002	c1ccsc1
CN(C)C(=O)CN(C)C(=O)[C@@H]1CNCCO1	ZINC000043708001	C1COCCN1
C[C@@H]1Cn2c(O1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000000369876	O=c3[nH]c(=O)c2n1CCOc1nc2[nH]3
COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c2ccc(OC)c(OC)c2	ZINC000000037896	O=C2NC=CC(c1ccccc1)N2
CS(=O)(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1	ZINC000035798215	C1CCNC1
CN(C)C(=O)CNC(=O)N2CCN(C(=O)C(=O)N1CCOCC1)CC2	ZINC000043715059	O=C(N1CCNCC1)C(=O)N2CCOCC2
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN=Nc1ccccc1	ZINC000004691990	c1ccccc1
CC(C)O[C@@]2(O)C(=O)c1ccccc1C(=O)[C@]2(O)OC(C)C	ZINC000000036943	O=C1CCC(=O)c2ccccc12
CC(C)C[C@@H](N)C(=O)O[C@@H](N)C(=O)NCCN(C)C	ZINC000001704453	nonring
COC(=O)[C@@H]1C[C@@H]1C(=O)N2C[C@H](O)[C@@H](O)C2	ZINC000600216705	O=C(C1CC1)N2CCCC2
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c2c[nH]c(=O)[nH]c2=O	ZINC000032553838	O=c2[nH]cc(S(=O)(=O)NC1CCS(=O)(=O)C1)c(=O)[nH]2
Cc3ccc(n1cnnn1)c(S(=O)(=O)N2CCOCC2)c3	ZINC000000382012	O=S(=O)(N1CCOCC1)c2ccccc2n3cnnn3
CCOC(=O)[C@@]2(O)C(=O)Nc1cc(OC)cc(OC)c12	ZINC000000078924	O=C2Cc1ccccc1N2
COC(=O)CN2CCCN(c1c(C#N)c(=O)n(C)c(=O)n1C)CC2	ZINC000044897812	O=c2cc(N1CCCNCC1)[nH]c(=O)[nH]2
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N2CCN(C)C[C@H]2CN	ZINC000659727967	O=C(NC1CCS(=O)(=O)C1)C(=O)N2CCNCC2
N[C@H](CC(N)=O)C(=O)N1CCC(CO)CC1	ZINC000037481908	C1CCNCC1
COc2cccc(NC(=O)COc1ccccc1OC)c2	ZINC000000039139	O=C(COc1ccccc1)Nc2ccccc2
NN2CCN(CC(=O)c1ccccc1)N2	ZINC000000096829	O=C(CN1CCNN1)c2ccccc2
COC(=O)c3cn(CC(=O)N2CCN(S(=O)(=O)C1CC1)CC2)nn3	ZINC000600227355	O=C(Cn1ccnn1)N3CCN(S(=O)(=O)C2CC2)CC3
COc2ccc(OCC(=O)Nc1cc(OC)ccc1OC)cc2	ZINC000000039136	O=C(COc1ccccc1)Nc2ccccc2
OCCS(=O)(=O)c1non(=O)c1c2ccccc2	ZINC000000017995	O=n1oncc1c2ccccc2
C[n+]2cc(C(=O)NCC[N+]1(C)CCCCC1)ccc2\C=N\O	ZINC000000306973	O=C(NCCN1CCCCC1)c2cccnc2
CNS(=O)(=O)CC(=O)N(C)CCOC	ZINC000332460088	nonring
COC(=O)[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(C)C	ZINC000000124828	O=c1cn[nH]c(=O)[nH]1
Cn1cnnc1SCn3c(=O)c2ccccc2c3=O	ZINC000000076197	O=c2n(CSc1nnc[nH]1)c(=O)c3ccccc23
CC(CO)(CO)NC(=S)NC1CC1	ZINC000000089163	C1CC1
COCCN2CC[C@@H](NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C2	ZINC000557766660	O=C(NCC1CCCN1)C(=O)NC2CCNC2
CCN(C2CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2)C(=O)[C@@H]3CCS(=O)(=O)N3	ZINC000651949254	O=C(NC2CN(C(=O)C1CCS(=O)(=O)N1)C2)C3CCS(=O)(=O)N3
Nc3nc2n([C@H]1C[C@H](O)[C@@H](CO)O1)c(=O)sc2c(=O)[nH]3	ZINC000003799787	O=c2sc1c(=O)[nH]cnc1n2C3CCCO3
COc1ccc(OC)c(S(N)(=O)=O)c1	ZINC000000160563	c1ccccc1
CC(C)(CO)NC[C@@H](O)CS(O)(=O)=O	ZINC000001590504	nonring
Cn1cnc2[nH]c(=O)[nH]c(=O)c12	ZINC000000391789	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
COC(=O)Cn1cnc(=O)c(C#N)c1C	ZINC000000235497	O=c1cc[nH]cn1
CS(=O)(=O)NC1CN(S(N)(=O)=O)C1	ZINC000625432802	C1CNC1
C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O	ZINC000008076118	nonring
CCN(C)S(=O)(=O)NCCS(=O)(=O)NC	ZINC000332481153	nonring
NS(=O)(=O)N2CCN(C(=O)[C@@H]1CSC(=O)N1)CC2	ZINC000040380812	O=C2NC(C(=O)N1CCNCC1)CS2
NC(=O)[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)CCO2	ZINC000553404427	O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N2CCOCC2
C[N@]2CCC[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2	ZINC000668329989	O=C(NC1CCCNC1)C2=CCCCC2
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)OC	ZINC000035219632	C1CCNC1
CS(=O)(=O)N1CCC[C@@H]1C(=O)NC(CO)CO	ZINC000087752060	C1CCNC1
NS(=O)(=O)c2ccc(NC(=O)c1ccco1)cc2	ZINC000000030299	O=C(Nc1ccccc1)c2ccco2
CC(=O)OCN1CCN(COC(C)=O)C1=O	ZINC000000034310	O=C1NCCN1
CCN[C@H](C)CN=c1nn[nH]n1C	ZINC000387582982	N=c1nn[nH][nH]1
CCOc1ccccc1NC(=O)CNS(=O)(=O)c2cccs2	ZINC000000213668	O=C(CNS(=O)(=O)c1cccs1)Nc2ccccc2
NC[C@@H](O)[C@@H](O)[C@@H](O)c2cnn(c1ccccc1)n2	ZINC000004207048	c2ccc(n1nccn1)cc2
COc2ccc(NC(=O)COc1nc(N(C)C)nc(N(C)C)n1)cc2	ZINC000000376900	O=C(COc1ncncn1)Nc2ccccc2
O=C(Cc1ccc(N(=O)=O)cc1)ON2C(=O)CCC2=O	ZINC000000156842	O=C(Cc1ccccc1)ON2C(=O)CCC2=O
OCc2nc1ccccc1n2CC(=O)N3CCOCC3	ZINC000000285456	O=C(Cn1cnc2ccccc12)N3CCOCC3
CCS(=O)(=O)NCCNS(=O)(=O)CCC#N	ZINC000332428599	nonring
NC(=O)CNCCS(O)(=O)=O	ZINC000001659811	nonring
C[C@H](CS(O)(=O)=O)NC(CO)(CO)CO	ZINC000001659812	nonring
COc1cccc(CO)c1OCC(=O)N2CCOCC2	ZINC000000498938	O=C(COc1ccccc1)N2CCOCC2
CC1(C)N(C(=O)CNC(=O)CN)CCNC1=O	ZINC000110666291	O=C1CNCCN1
NC(=O)c2cn([C@H](CO)CCc1ccccc1)cn2	ZINC000000024492	C(Cc1ccccc1)Cn2ccnc2
CC(C)(N2CCN(C(=O)C(=O)NC[C@@H]1COCCN1)CC2)C(N)=O	ZINC000627470280	O=C(NCC1COCCN1)C(=O)N2CCNCC2
COC(=O)[C@@H]1CN(C(=O)CN)CCN1C(C)=O	ZINC000079418604	C1CNCCN1
C[C@@H]([C@@H](C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	ZINC000022930046	O=C2CN(CCN1CC(=O)NC(=O)C1)CC(=O)N2
OC(=O)[C@@H]1CCCN1S(=O)(=O)c2cc(Cl)ccc2Cl	ZINC000000032416	O=S(=O)(N1CCCC1)c2ccccc2
NC(=O)C(NC(=O)c1ccoc1)C(N)=O	ZINC000022877587	c1ccoc1
CN(C[C@@H](O)C1CC1)C(=O)C(=O)N3CC(S(=O)(=O)N2CCNCC2)C3	ZINC000643569785	O=C(NCCC1CC1)C(=O)N3CC(S(=O)(=O)N2CCNCC2)C3
Nc2ccn([C@@H]1C=C(CO)[C@H](O)[C@@H]1O)c(=O)n2	ZINC000005760417	O=c1ncccn1C2CCC=C2
Nc1c(C#N)c(C#N)c(N)n1N	ZINC000000127744	c1cc[nH]c1
CN1[C@@H](NC(=O)NCCO)[C@H](NC(=O)NCCO)N(C)C1=O	ZINC000006878846	O=C1NCCN1
CNc2nc1n(C)c(=O)[nH]c(=O)c1n2CCOc3ccccc3	ZINC000000543553	O=c3[nH]c(=O)c2n(CCOc1ccccc1)cnc2[nH]3
CC(=O)CCn1c(=O)n(CCC(C)=O)c(=O)n(CCC(C)=O)c1=O	ZINC000000198571	O=c1[nH]c(=O)[nH]c(=O)[nH]1
O=C(Cn1cnnn1)NCCN2CCCC2	ZINC000041905323	O=C(Cn1cnnn1)NCCN2CCCC2
COc3cccc(C(=O)Nn2nnc1ccccc1c2=O)c3	ZINC000000069690	O=C(Nn2nnc1ccccc1c2=O)c3ccccc3
C[C@@H](C(=O)N1CCN(C)C[C@@H]1CN)S(C)(=O)=O	ZINC000135244389	C1CNCCN1
Cc2ccc(S(=O)(=O)NCCC(=O)Nc1cccc(O)c1)cc2	ZINC000000042824	O=C(CCNS(=O)(=O)c1ccccc1)Nc2ccccc2
COCCn2ccc(=NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)[nH]2	ZINC000651958811	O=C2CN(C(=O)C(=O)N=c1cc[nH][nH]1)CCN2
Cn1cc(NS(C)(=O)=O)c(=O)c2ccccc12	ZINC000000008845	O=c1cc[nH]c2ccccc12
CN(C)S(=O)(=O)NCC(=O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000646903481	O=S1(=O)CCNCC1
Nc1cc(=O)[nH]c(=O)n1c2ccc(F)cc2F	ZINC000000171234	O=c2ccn(c1ccccc1)c(=O)[nH]2
CCOC(=O)c1c(C)c(C(N)=O)sc1N	ZINC000000035841	c1ccsc1
OC(=O)\C=C\C(=O)Nc3ccc2nn(c1ccccc1)nc2c3	ZINC000000189434	c3ccc(n2nc1ccccc1n2)cc3
COC(=O)CN(C)C(=O)CCN[C@@H]1CS(=O)(=O)C[C@@H]1N2CCOCC2	ZINC000533519903	O=S2(=O)CCC(N1CCOCC1)C2
CCN(CC)C(=O)Cn3nnc(c2ccc(N1CCOCC1)cc2)n3	ZINC000000418422	C3CN(c2ccc(c1nn[nH]n1)cc2)CCO3
C[C@@H](N)CNC(=O)c1ccnc(S(N)(=O)=O)c1	ZINC000648129059	c1ccncc1
Cc2nnc(NC(=O)Cn1ccnc1)s2	ZINC000000033236	O=C(Cn1ccnc1)Nc2nncs2
CSc1ncnc2n(CCO)ncc12	ZINC000000082046	c2ncc1cn[nH]c1n2
CNC(=O)[C@H](CO)NS(=O)(=O)CC(C)=C	ZINC000332451528	nonring
NCC(F)(F)CC(=O)N2CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC2	ZINC000653121341	O=C(CN1CCNCC1)NC2CCS(=O)(=O)C2
NS(=O)(=O)N2CCN(C(=O)[C@H]1CCN1)CC2	ZINC000384842014	O=C(C1CCN1)N2CCNCC2
CCOC(=O)CNC(=O)CS(=O)(=O)NC	ZINC000332497512	nonring
CS(=O)(=O)N2CCN(C(=S)NC[C@@H]1CCCO1)CC2	ZINC000000612326	S=C(NCC1CCCO1)N2CCNCC2
NC(=S)NN=CCn1ccc(=O)[nH]c1=O	ZINC000004934391	O=c1cc[nH]c(=O)[nH]1
COC[C@@H]1C[C@@H](O)CN1C(=O)CNS(=O)(=O)N(C)C	ZINC000616532985	C1CCNC1
OC3(C1CC1)CN(C(=O)CN2CCS(=O)(=O)CC2)C3	ZINC000330074200	O=C(CN1CCS(=O)(=O)CC1)N3CC(C2CC2)C3
O=N(=O)c2cc1OCOc1cc2\C=N\n3cnnc3	ZINC000000058297	C3Oc2ccc(C=Nn1cnnc1)cc2O3
CN3CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]1CCCO1)CC2)C[C@@H]3C#N	ZINC000332506483	O=C(C1CCCO1)N3CCN(C(=O)C(=O)N2CCNCC2)CC3
CN(C[C@@H]1C[C@H](O)C1)c2nc(N)nc(N)n2	ZINC000624686839	C2CC(CNc1ncncn1)C2
O[C@H]1CS(=O)(=O)C[C@H]1NN[C@@H]2CS(=O)(=O)C[C@@H]2O	ZINC000019170552	O=S2(=O)CCC(NNC1CCS(=O)(=O)C1)C2
CS(=O)(=O)NC2CCN(Cc1ccccc1)CC2	ZINC000000029517	C2CCN(Cc1ccccc1)CC2
O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N[C@H]2CCNC2	ZINC000570827245	O=C(NCCNC(=O)c1ccn[nH]1)C(=O)NC2CCNC2
COc2cccc(CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)n2	ZINC000642687548	O=C(NCc1ccccn1)C(=O)N2CCNCC2
CCOC(=O)C(NC(=O)CCS(C)(=O)=O)C(=O)OCC	ZINC000035249401	nonring
CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1NC(C)=O	ZINC000004887001	C1CCOC1
COC(=O)c2cc(\C=N\NS(=O)(=O)c1ccc(C)cc1)cn2C	ZINC000000112780	O=S(=O)(NN=Cc1cc[nH]c1)c2ccccc2
CC(C)C[C@H](NC(C)=O)C(=O)ON1C(=O)CCC1=O	ZINC000000485573	O=C1CCC(=O)N1
C[C@H](N)C(=O)N[C@@H]([C@H](O)[C@@H]2CN1[C@@H](CC1=O)O2)C(O)=O	ZINC000071758598	O=C2CC1OCCN12
CN(N(=O)=O)S(=O)(=O)c1ccc(C)cc1	ZINC000000050273	c1ccccc1
C[C@@H]2C(=O)N(C)c3ccc(S(=O)(=O)N1CCOCC1)cc23	ZINC000000126509	O=C3Cc2cc(S(=O)(=O)N1CCOCC1)ccc2N3
CN2C[C@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)CC2=O	ZINC000607721080	O=C(CNS(=O)(=O)c1cccs1)NC2CNC(=O)C2
O[C@@H]3C[C@H]2CN(C(=O)C(=O)NCCN1CCNCC1)CCN2C3	ZINC000656020036	O=C(NCCN1CCNCC1)C(=O)N3CCN2CCCC2C3
COC(=O)C(=Cc1ccc(N(=O)=O)cc1)C(=O)OC	ZINC000000056720	c1ccccc1
CC(=O)Nc2ccc(OC(=O)[C@H]1CCC(=O)N1)cc2	ZINC000000004287	O=C2CCC(C(=O)Oc1ccccc1)N2
COC(=O)COn2c(=O)c1ccccc1c2=O	ZINC000000194792	O=c1[nH]c(=O)c2ccccc12
Cn1c(NN)nc2c(=O)n(C)c(=O)n(C)c12	ZINC000002172998	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
COc2ccc(NC(=O)CSc1nncn1N)c(OC)c2	ZINC000000300168	O=C(CSc1nnc[nH]1)Nc2ccccc2
OCC1(CO)CCC(CO)(CO)C1=O	ZINC000000392530	O=C1CCCC1
O=C(CCn2c(=O)c1ccccc1c2=O)NC3CCCC3	ZINC000000045191	O=C(CCn2c(=O)c1ccccc1c2=O)NC3CCCC3
C[C@@H](CC#N)N(C)S(=O)(=O)NCCCNS(C)(=O)=O	ZINC000332512304	nonring
OC[C@@H]3O[C@@H](n1c(O)cc(=O)[n+]2ccsc12)[C@@H](O)[C@@H]3O	ZINC000005520673	O=c2ccn(C1CCCO1)c3scc[n+]23
C[C@@H](O)Cn2c(=O)n(C)c1ncn(C)c1c2=O	ZINC000000000675	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CC2(C)NC(=O)N(CC(=O)NCC(=O)N1CCNCC1)C2=O	ZINC000644098354	O=C(CN1C(=O)CNC1=O)NCC(=O)N2CCNCC2
Cc1nc(N)c(CN(CCO)CCO)c(=O)[nH]1	ZINC000005530332	O=c1ccnc[nH]1
CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)O	ZINC000332478122	nonring
CS(=O)(=O)N1CCNC[C@H]1C(=O)N[C@H]2CCCNC2=O	ZINC000020504991	O=C1NCCCC1NC(=O)C2CNCCN2
CCOC[C@@H](O)CN2CCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)CC2	ZINC000668380999	O=C(C1CCCNC1)N2CCNCC2
C[C@@H](O)c1non(=O)c1[C@@H](C)O	ZINC000000063696	O=n1ccno1
CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCC(=O)N(C)C	ZINC000332509828	nonring
NC(=O)c2nnc(c1ccc(N(=O)=O)cc1)o2	ZINC000000105832	c2ccc(c1nnco1)cc2
CSC[C@H](NC(=O)COc1cc(C)cc2oc(=O)cc(C)c12)C(O)=O	ZINC000002126076	O=c2ccc1ccccc1o2
CC(C)Nc1nc(NC(C)C)nc(N(C)C(N)=O)n1	ZINC000000027676	c1ncncn1
CCc3c(C(=O)c1cc(C)cc(C)c1)n(CC2CCC2)c(=O)[nH]c3=O	ZINC000000026268	O=C(c1ccccc1)c2cc(=O)[nH]c(=O)n2CC3CCC3
Cc2cccc(NN=c1c(=O)[nH]c(=S)[nH]c1=O)c2	ZINC000000180469	O=c1[nH]c(=S)[nH]c(=O)c1=NNc2ccccc2
OC[C@@H]3O[C@@H](n1cnc2cncnc12)[C@@H](O)[C@@H]3O	ZINC000004758250	C3COC(n1cnc2cncnc12)C3
Cc1ccccc1OC[C@H](O)COC(N)=O	ZINC000000000451	c1ccccc1
COc1ccc(C(=O)NCC(N)=O)cc1	ZINC000000040120	c1ccccc1
CCC(=O)c1ccc(OC[C@H](O)CO)c(OC)c1	ZINC000000000458	c1ccccc1
COCC[N@@](C)CCCNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1	ZINC000569832247	C1CCNC1
CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O	ZINC000625589953	O=c2[nH]cc(S(=O)(=O)NC1CCC1)c(=O)[nH]2
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]2CNC[C@@H]2O	ZINC000647039578	O=C(NCC1CCNC1)C2CCCCN2
CC(=O)NC[C@]1(O)CN(C(=O)CNS(C)(=O)=O)C[C@H]1O	ZINC000257343247	C1CCNC1
CNS(=O)(=O)CC(=O)NC[C@@H](NC(=O)CS(=O)(=O)NC)C(C)(C)C	ZINC000467772101	nonring
CN(CCO)c2nc1n(C)c(=O)[nH]c(=O)c1n2Cc3ccccc3Cl	ZINC000000634527	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
CN2CCN(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)CC2	ZINC000568019402	O=C(NC1CCNC1)N2CCNCC2
Cn2c(=O)[nH]c(=O)\c(=C/c1ccc(O)cc1)c2=O	ZINC000000100712	O=c2[nH]c(=O)c(=Cc1ccccc1)c(=O)[nH]2
CCOC(=O)[C@@]1(O)CC(C)=NN1C(=O)c2cccnc2	ZINC000000355005	O=C(N1CCC=N1)c2cccnc2
CCOC1[C@H]([C@H](O)CO)OC(=O)C1=O	ZINC000000008288	O=C1CCOC1=O
COC(=O)c1scc(S(C)(=O)=O)c1N	ZINC000000096149	c1ccsc1
C[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCO1)CN2CCN(C)CC2	ZINC000556356223	O=C(NCCCN1CCNCC1)C(=O)NCC2CNCCO2
COc3cc(c2nc1c(=O)n(C)c(=O)n(C)c1[nH]2)ccc3O	ZINC000000525762	O=c3[nH]c(=O)c2nc(c1ccccc1)[nH]c2[nH]3
NC(=O)CN(CC(N)=O)C(=O)[C@@H]2[C@@H]1CCCO[C@@H]12	ZINC000356855361	C2COC1CC1C2
CN(C)c2nc1n(C)c(=O)[nH]c(=O)c1n2CC(C)=C	ZINC000000266874	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
C[C@H]1OCCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1C(N)=O	ZINC000408064616	C1COCCN1
CSc1ccccc1NC(=O)/C=C/C(O)=O	ZINC000000097818	c1ccccc1
CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H](O)[C@H]1n2cccn2	ZINC000616775180	C2CC(n1cccn1)C2
CNC(=O)NCC(=O)NCCN(C)C	ZINC000332498336	nonring
CN1CCC(NC(C)=O)(NC(C)=O)CC1	ZINC000000268611	C1CCNCC1
CSC[S@@](=O)C[C@@H](CO)NC(=O)C=Cc1c[nH]c(=O)[nH]c1=O	ZINC000026992207	O=c1cc[nH]c(=O)[nH]1
COc1ccccc1c3cc(=O)c2ccc(O)cc2o3	ZINC000000039302	O=c2cc(c1ccccc1)oc3ccccc23
O[C@H]2C[N@@](CC(=O)N1CCOCC1)C[C@H]2O	ZINC000086331618	O=C(CN1CCCC1)N2CCOCC2
CS(=O)(=O)N1CCC[C@@H]1C(=O)N3CC(S(=O)(=O)N2CCNCC2)C3	ZINC000647092276	O=C(C1CCCN1)N3CC(S(=O)(=O)N2CCNCC2)C3
COC(=O)c2nnn(c1nonc1N)c2C(C)(C)C	ZINC000000034768	c2cn(c1cnon1)nn2
NC(=O)c3ccc(NC(=O)CN2CCN(c1ccccn1)CC2)cc3	ZINC000000224490	O=C(CN2CCN(c1ccccn1)CC2)Nc3ccccc3
Cn2c(SCC(=O)N1CCCC1)nc3n(C)c(=O)n(C)c(=O)c23	ZINC000000415712	O=C(CSc2nc1[nH]c(=O)[nH]c(=O)c1[nH]2)N3CCCC3
CC(=O)OCC(CO)(CO)CO	ZINC000000398825	nonring
CC(=O)[C@@H](O)CC(=O)[C@@H](O)CC(=O)[C@H](O)n1c(=O)ccc1=O	ZINC000005432828	O=c1ccc(=O)[nH]1
CN2CCN(C=c1c(=O)[nH]c(=S)[nH]c1=O)CC2	ZINC000004702750	O=c1[nH]c(=S)[nH]c(=O)c1=CN2CCNCC2
NC2NNn3nc(c1ccc(N(=O)=O)cc1)nc23	ZINC000000352331	C2NNn3nc(c1ccccc1)nc23
C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)N[C@@H](CCCCN)C(O)=O	ZINC000040567085	O=c1cc[nH]c(=O)[nH]1
CC(=O)Nc1nccnc1C(N)=O	ZINC000000330545	c1cnccn1
COc2cc(\C=N\n1nnnc1N)cc(OC)c2OC	ZINC000000259843	C(=Nn1cnnn1)c2ccccc2
O=C3C[C@@H](C(=O)N(C1CC1)[C@@H]2CCS(=O)(=O)C2)N3	ZINC000668222529	O=C3CC(C(=O)N(C1CC1)C2CCS(=O)(=O)C2)N3
CCN2CCN(C(=O)C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1)CC2=O	ZINC000625519200	O=C2CN(C(=O)C(=O)N1CCOCC1)CCN2
NC(=O)COc2ccc1ccc(=O)oc1c2	ZINC000000123037	O=c2ccc1ccccc1o2
CC(=S)NC=C(C(N)=O)C(N)=O	ZINC000001636597	nonring
Cn2c(=O)n(C)c1[nH]c(SCC(=O)NCCO)nc1c2=O	ZINC000006413685	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CO[C@@H]1COC[C@H]1NC(=O)CNS(=O)(=O)N(C)C	ZINC000616475468	C1CCOC1
CCOC(=O)CSc2nc1[nH]c(=O)n(C)c(=O)c1n2C	ZINC000000408231	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
NC(=O)NC(=O)OCCOC(=O)NC(N)=O	ZINC000001664923	nonring
CN(C)S(=O)(=O)NCC(=O)NCc1ccccc1C[N@]2CC[C@@H](O)C2	ZINC000646956170	C2CCN(Cc1ccccc1)C2
Cc2cc(C)n(CCOc1nonc1N)n2	ZINC000000050043	C(Cn1cccn1)Oc2cnon2
CN(C)S(=O)(=O)N1CC(NS(N)(=O)=O)C1	ZINC000625624467	C1CNC1
CNC(=O)NC(=O)CN(CC(N)=O)C1CCNCC1	ZINC000037543191	C1CCNCC1
CC(=O)N[C@@H](CO)C(=O)c1ccc(N(=O)=O)cc1	ZINC000000047211	c1ccccc1
CNS(=O)(=O)NC2CCN(C(=O)[C@@H]1CC[N@@](C)[C@@H]1C)CC2	ZINC000651952524	O=C(C1CCNC1)N2CCCCC2
CC(C)OCCN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1	ZINC000646889613	C1CNCCN1
Nc3nc2nn(c1ccc(S(N)(=O)=O)cc1)nc2c(=O)[nH]3	ZINC000001736924	O=c2[nH]cnc3nn(c1ccccc1)nc23
CS(=O)(=O)N2CCN(S(=O)(=O)N[C@H]1C[C@@H](CO)C=C1)CC2	ZINC000533554464	O=S(=O)(NC1CCC=C1)N2CCNCC2
OC(=O)COCC(=O)NC2CCN(Cc1ccccc1)CC2	ZINC000000069758	C2CCN(Cc1ccccc1)CC2
CC(CO)(CO)CNC(=O)c1nc[nH]n1	ZINC000393891980	c1nc[nH]n1
Cc1[nH]c(=O)[nH]c(=O)c1Br	ZINC000000032330	O=c1cc[nH]c(=O)[nH]1
CN(C[C@@H]1CCC[N@]1C)C(=O)C(=O)N3CCC[C@@H](N2CCNCC2=O)C3	ZINC000643594517	O=C1CNCCN1C3CCCN(C(=O)C(=O)NCC2CCCN2)C3
CC(C)(O)CC(=O)NCCNS(C)(=O)=O	ZINC000332454019	nonring
OC[C@@H]2O[C@@H](OCc1ccccc1)[C@H](O)[C@H]2O	ZINC000000402464	C2COC(OCc1ccccc1)C2
O[C@@H]3CO[C@H]2CO[C@@H](c1ccccc1)O[C@H]2[C@@H]3O	ZINC000000402462	C3COC2COC(c1ccccc1)OC2C3
OC(=O)CCN[C@@H](Cc1ccc(O)cc1)C(O)=O	ZINC000001666605	c1ccccc1
Cc2cccc(NC1=C(C(C(N)=O)C(N)=O)OC(=O)C1Cl)c2	ZINC000000171550	O=C2CC(Nc1ccccc1)=CO2
O=C(NC1CC1)c2n[nH]c(=O)c3ccccc23	ZINC000000033689	O=C(NC1CC1)c2n[nH]c(=O)c3ccccc23
CC(C)CN(CC(N)=O)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000046061138	O=S1(=O)CCCC1
Cc2ccc(OCC(=O)Nc1c[nH]c(=O)[nH]c1=O)cc2	ZINC000000103994	O=C(COc1ccccc1)Nc2c[nH]c(=O)[nH]c2=O
CN(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O	ZINC000635949025	C1CCNC1
CNS(=O)(=O)NCC(=O)N2CCN(Cc1nccn1C)CC2	ZINC000521635811	C2CN(Cc1ncc[nH]1)CCN2
C[C@H](NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O	ZINC000157392514	nonring
NC(=O)CN1CCN(S(N)(=O)=O)CC1	ZINC000073714038	C1CNCCN1
CN(Cc1cnn(C)c1C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2	ZINC000583911685	O=S(=O)(NCc1cn[nH]c1)N2CCNCC2
COC(=O)c1cc(C(=O)OC)c(C(=O)OC)cc1C(=O)OC	ZINC000000122850	c1ccccc1
OC[C@@H]2O[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](O)[C@H](O)[C@@H]2O	ZINC000000104973	C2CCC(Oc1ccccc1)OC2
C[C@@H](CNC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1)S(N)(=O)=O	ZINC000628032398	C1CNC1
O=C(NCCN1CCNCC1)c2nc[nH]n2	ZINC000082504815	O=C(NCCN1CCNCC1)c2nc[nH]n2
Nc1ncnc2n(CCOC[C@@H](O)CO)cnc12	ZINC000001591592	c2ncc1nc[nH]c1n2
NC(=O)\C=C\C(=O)Nc2ccc1OCOc1c2	ZINC000000121502	C2Oc1ccccc1O2
CN1[C@H](OC(C)=O)[C@@H](OC(C)=O)N(C)C1=O	ZINC000000351012	O=C1NCCN1
NOCC(=O)N2CCN(c1ccccc1)CC2	ZINC000000170201	C2CN(c1ccccc1)CCN2
CNS(=O)(=O)NCC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1	ZINC000629210879	C1CCC1
Cn1c(=O)[nH]c(=O)c2n(C)c(=O)[nH]c12	ZINC000000388612	O=c2[nH]c(=O)c1[nH]c(=O)[nH]c1[nH]2
Cn2c(=O)[nH]c(=O)c3n1CCSc1nc23	ZINC000000039682	O=c3[nH]c(=O)c2n1CCSc1nc2[nH]3
Cc2cn1[C@@H]3C[C@H](Oc1nc2=O)[C@@H](CO)O3	ZINC000000402644	O=c3ccn2C1CC(CO1)Oc2n3
CCS(=O)(=O)CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC000616312827	O=C1CCNC(=O)N1
Nc3nc2n([C@@H]1C[C@@H](O)[C@H](CO)O1)ccc2c(=O)[nH]3	ZINC000002567615	O=c2[nH]cnc3n(C1CCCO1)ccc23
CC(=O)c2cc1OCOc1cc2NC(=O)CCC(O)=O	ZINC000000372327	C2Oc1ccccc1O2
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCCN2CCCC2=O	ZINC000559334901	O=C1CCCN1CCCNC(=O)C(=O)N2CCCC2
COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(N)=O	ZINC000096921280	c1c[nH]cn1
C[C@@H]1CC(=O)N(C[C@@H](N)C(N)=O)C1=O	ZINC000127823770	O=C1CCC(=O)N1
C[C@@H](CCO)NC(=O)CS(=O)(=O)N(C)C	ZINC000332509348	nonring
C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)CNC(=O)CN)C(O)=O	ZINC000090608499	C1CCNC1
C[C@@H]2CN(C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1)C[C@@H](CO)O2	ZINC000410992603	O=C2CN(C(=O)C(=O)N1CCOCC1)CCN2
Nn2cnn3c(SCC(=O)c1ccccc1)nnc23	ZINC000000036437	O=C(CSc1nnc2[nH]cnn12)c3ccccc3
Nc2cc(S(=O)(=O)c1ccc(O)c(N)c1)ccc2O	ZINC000000036432	O=S(=O)(c1ccccc1)c2ccccc2
OCCN4CC(=O)N3Cc2[nH]c1ccccc1c2C[C@H]3C4=O	ZINC000000488144	O=C2CNC(=O)C1Cc3c(CN12)[nH]c4ccccc34
CC(=O)N[C@H]1C[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000004963873	C1CCCC1
O=C(NCc1cccnc1)c3cnc2SCCn2c3=O	ZINC000000211262	O=C(NCc1cccnc1)c3cnc2SCCn2c3=O
Cn3[nH]nc2[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)CCN=c23	ZINC000616224948	O=C3CN(C(=O)C1CCN=c2[nH][nH]nc12)CCN3
Clc2cc(NS(=O)(=O)c1ccccc1)ccc2C#N	ZINC000000030306	O=S(=O)(Nc1ccccc1)c2ccccc2
NS(=O)(=O)c2cccc(S(=O)(=O)N1CCNCC1)c2	ZINC000036983821	O=S(=O)(N1CCNCC1)c2ccccc2
CN2CCN(C(=O)C(=O)N(C)[C@H]1CNC[C@@H]1O)CC2	ZINC000423666514	O=C(NC1CCNC1)C(=O)N2CCNCC2
CN(C)C(=O)CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1	ZINC000340465830	c1cn[nH]c1
CNC[C@@H]1CCCN1C(=O)C(=O)N3CCN(C2CC2)C(=O)C3	ZINC000643564501	O=C2CN(C(=O)C(=O)N1CCCC1)CCN2C3CC3
CCS(=O)(=O)NCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC	ZINC000447197468	C1CCNC1
C[C@H]([C@@H]1CCC(=O)N1)C(=O)N3CCN(C(=O)Cn2cnnn2)CC3	ZINC000625147574	O=C3CCC(CC(=O)N2CCN(C(=O)Cn1cnnn1)CC2)N3
NC(=O)CNC(=O)COc1ccc(Cl)cc1Cl	ZINC000000050149	c1ccccc1
CNc2nc(OC)nc(N1CCOCC1)n2	ZINC000000618833	C2CN(c1ncncn1)CCO2
CO[C@@]2(C(=O)NCCN1CCNC(=O)C1)CCOC2	ZINC000530509231	O=C2CN(CCNC(=O)C1CCOC1)CCN2
CN2CCN(C(=O)[C@@H]1CC=CC[C@@H]1C(O)=O)CC2	ZINC000000339418	O=C(C1CCC=CC1)N2CCNCC2
Cc2cn([C@H]1O[C@H](CO)C=C1)c(=O)[nH]c2=O	ZINC000000137887	O=c2ccn(C1OCC=C1)c(=O)[nH]2
CNC(=O)c1[nH]cnc1NN=C(C(N)=S)C(=O)N2CCOCC2	ZINC000003766772	O=C(C=NNc1c[nH]cn1)N2CCOCC2
CN(C)S(=O)(=O)c1ccc(CNC(=O)C(N)=O)cc1	ZINC000408713443	c1ccccc1
Cn1c(=O)cc(C[C@H](N)C(O)=O)c1=O	ZINC000001483986	O=c1ccc(=O)[nH]1
CCNC(=O)[C@@H](C)NC(=O)CS(=O)(=O)N(C)C	ZINC000332434343	nonring
COC(=O)Cn2c(=O)c1ccc(C(=O)OC)cc1c2=O	ZINC000000139494	O=c1[nH]c(=O)c2ccccc12
CCS(=O)(=O)N2CCC(C(=O)N1CCOCC1)CC2	ZINC000000262563	O=C(C1CCNCC1)N2CCOCC2
NC(=O)COc2ccc(n1cnnn1)cc2	ZINC000000331434	c2ccc(n1cnnn1)cc2
CNC(=O)NC[C@@H]2CN(C(=O)Cn1cc(C(=O)OC)cn1)CCO2	ZINC000600235831	O=C(Cn1cccn1)N2CCOCC2
COCC[N@]2CC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C2	ZINC000343904041	O=C(NC1CCNC1)C(=O)N2CCOCC2
O=C(Cn2cnc1ccc(N(=O)=O)cc1c2=O)N3CCOCC3	ZINC000000032659	O=C(Cn2cnc1ccccc1c2=O)N3CCOCC3
C[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N2CCN(C)CC2	ZINC000363338508	O=C(C1CCCN1)N2CCNCC2
C[C@@H]2CN(C(=O)CS(=O)(=O)CC(=O)N1C[C@@H](C)NC(=O)C1)CC(=O)N2	ZINC000655129358	O=C2CN(C(=O)CS(=O)(=O)CC(=O)N1CCNC(=O)C1)CCN2
CCOC(=O)Cc1nnn(CC(=O)OCC)n1	ZINC000000086812	c1nn[nH]n1
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C2CN(C(C)=O)C2	ZINC000530467054	O=C(CNC(=O)C1CNC1)NC2CCS(=O)(=O)C2
C3CN(c2ccc1nncn1n2)CCO3	ZINC000000080356	C3CN(c2ccc1nncn1n2)CCO3
Brc2ccc(\C=N\Nc1nc(=O)cn[nH]1)cc2	ZINC000003945134	O=c2cn[nH]c(NN=Cc1ccccc1)n2
COC(=O)c2nnn(CC(=O)Nc1ccccc1)c2N	ZINC000000248848	O=C(Cn1ccnn1)Nc2ccccc2
COC(=O)c1ccc(S(=O)(=O)N(C)C)o1	ZINC000000180473	c1ccoc1
OCCNS(=O)(=O)c1cc(S(=O)(=O)NCCO)c3[nH]c(=O)c2cccc1c23	ZINC000001773992	O=c1[nH]c3cccc2cccc1c23
NC(=O)CSc2nc(c1ccncc1)n[nH]2	ZINC000000285787	c2cc(c1nc[nH]n1)ccn2
COc1ncccc1CNC(=O)C(=O)N3CCN2[C@H](C[C@H](N)C2=O)C3	ZINC000584064865	O=C3CCC2CN(C(=O)C(=O)NCc1cccnc1)CCN23
NC(=O)c2cnn3ccn([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c23	ZINC000005554438	C3COC(n1ccn2nccc12)C3
C[C@@H]2CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H](C)CN2CCO	ZINC000616342245	O=C(C1CCCNC1)N2CCNCC2
CN3C[C@@H](c2ccc[n+](O[C@@H]1O[C@@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)c2)CC3=O	ZINC000238809116	O=C3CC(c2ccc[n+](OC1CCCCO1)c2)CN3
CCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC000000177163	O=c1cc[nH]c(=O)[nH]1
CNC(=O)c1ccccc1Sc2ccc(OC)cc2C(=O)NC	ZINC000000086215	S(c1ccccc1)c2ccccc2
CCN(C1CN(C(=O)CC(N)=O)C1)C(=O)CC(N)=O	ZINC000357206600	C1CNC1
O[C@H](CNC(=O)c1cnn[nH]1)CN2CCNCC2	ZINC000072156708	O=C(NCCCN1CCNCC1)c2cnn[nH]2
OCCN(CCO)c1nc(Cl)nc(N(CCO)CCO)n1	ZINC000000109481	c1ncncn1
Nc3nc2n(\C=C1\C[C@@H]1CO)cnc2c(=O)[nH]3	ZINC000000022952	O=c2[nH]cnc3n(C=C1CC1)cnc23
CS(=O)(=O)N2CCN(C(=O)CN)[C@@H](C(=O)N[C@H]1CCCNC1=O)C2	ZINC000015709581	O=C1NCCCC1NC(=O)C2CNCCN2
CCNC(=O)CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000067624743	C1CCNCC1
CS(=O)(=O)N2CCN(S(=O)(=O)N[C@@H]1COC[C@H]1O)CC2	ZINC000566492525	O=S(=O)(NC1CCOC1)N2CCNCC2
CC(=O)NCC(=O)N1CCN(S(N)(=O)=O)CC1	ZINC000040378933	C1CNCCN1
COC(=O)COCC(=O)N2CCN(S(=O)(=O)C1CC1)CC2	ZINC000600227855	O=S(=O)(C1CC1)N2CCNCC2
N[C@@H](Cn2c1CCCc1c(=O)[nH]c2=O)C(O)=O	ZINC000001490608	O=c2[nH]c1CCCc1c(=O)[nH]2
CC(=O)Oc1c(C)ccc(C(O)=O)c1N(=O)=O	ZINC000000032436	c1ccccc1
CCN1CCCn2c1nc3n(C)c(=O)n(C)c(=O)c23	ZINC000000385800	O=c3[nH]c(=O)c2n1CCCNc1nc2[nH]3
CC2(C(N)=O)CN(CC(=O)N1CCNC(=O)C1)C2	ZINC000566558867	O=C2CN(C(=O)CN1CCC1)CCN2
C[C@H](NCC(=O)N1CCOCC1)C(N)=O	ZINC000035247497	C1COCCN1
CNCCNC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1	ZINC000582062772	C1CNCCN1
NS(=O)(=O)c2ccc(CCNS(=O)(=O)c1ccc(F)c(F)c1F)cc2	ZINC000007375475	O=S(=O)(NCCc1ccccc1)c2ccccc2
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1NCCS1	ZINC000020146258	C1CSCN1
OCCn2ncc3c(SCC(=O)N1CCCC1)ncnc23	ZINC000000082064	O=C(CSc1ncnc2[nH]ncc12)N3CCCC3
CO[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)C(=O)NC[C@@H]1CN(C)CCO1)C[C@@H]23	ZINC000668742364	O=C(NCC1CNCCO1)C(=O)N3CC2CCS(=O)(=O)C2C3
O=C(CN2CCN(C(=O)C(=O)NC[C@@H]1COCCN1)CC2)NC3CC3	ZINC000627474124	O=C(CN2CCN(C(=O)C(=O)NCC1COCCN1)CC2)NC3CC3
CC(=O)Nc2ccc([C@@H]1OC1(C(N)=O)C(N)=O)cc2	ZINC000000518482	C1OC1c2ccccc2
COc2cc(C(=O)ON1C(=O)CCC1=O)cc(OC)c2OC	ZINC000000283205	O=C1CCC(=O)N1OC(=O)c2ccccc2
C[C@@H](NC(=O)CNC(=O)CN)C(N)=O	ZINC000004760502	nonring
CS(=O)(=O)NC[C@H]2O[C@@H](CC(=O)N1CCOCC1)[C@H](O)[C@@H]2O	ZINC000012603777	O=C(CC1CCCO1)N2CCOCC2
NC(=O)CN([C@@H]1CCNC1)C(=O)CN2CCCC2=O	ZINC000037540504	O=C(CN1CCCC1=O)NC2CCNC2
CN(C)CCCN1C[C@@H](C(O)=O)CC1=O	ZINC000000151478	O=C1CCCN1
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC(C)(C)NS(C)(=O)=O	ZINC000674799075	c1cn[nH]c1
COc2cc([C@@H]1NC(=O)NC1=O)ccc2O	ZINC000000078246	O=C2NC(c1ccccc1)C(=O)N2
OCC2(O)CN(C(=O)CSCC(=O)N1CC(O)(CO)C1)C2	ZINC000597705298	O=C(CSCC(=O)N1CCC1)N2CCC2
NC(=O)C1(C(N)=O)OC13C2CC4CC(C2)CC3C4	ZINC000000436659	C1OC13C2CC4CC(C2)CC3C4
CNC(=O)Cn2cc(NC(=O)N1CC(S(C)(=O)=O)C1)cn2	ZINC000650111058	O=C(Nc1cn[nH]c1)N2CCC2
O=C(Cn1cc(N(=O)=O)cn1)N2CCCCC2	ZINC000000126521	O=C(Cn1cccn1)N2CCCCC2
COc2cc(OC)cc(C(=O)NCC(=O)NNC(=O)C(=O)NC1CC1)c2	ZINC000010214410	O=C(CNC(=O)c1ccccc1)NNC(=O)C(=O)NC2CC2
CN(C)C(=O)C[N@]2CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2	ZINC000363370448	O=C2NC(CCC(=O)N1CCCNCC1)C(=O)N2
CNC(=O)NC(=O)C[N@@](C)CCNC(=O)N(C)C	ZINC000332494530	nonring
CS(=O)(=O)NCCNC(=O)CNC1=NS(=O)(=O)c2ccccc12	ZINC000029678108	O=S2(=O)N=Cc1ccccc12
CCOC(=O)CNc1ncnc2[nH]cnc12	ZINC000000123823	c2ncc1nc[nH]c1n2
CCNC(=O)NC(=O)CN1CCNC(=O)C1	ZINC000016388988	O=C1CNCCN1
CN2[C@@H]1NC(=O)N(C)[C@@H]1NC2=O	ZINC000000069942	O=C2NC1NC(=O)NC1N2
ON2C1=NCCN1S(=O)(=O)c3ccccc23	ZINC000000019372	O=S3(=O)N1CCN=C1Nc2ccccc23
Cc2ccc(C(=O)NC(=S)Nc1c[nH]c(=O)[nH]c1=O)cc2	ZINC000000054016	O=C(NC(=S)Nc1c[nH]c(=O)[nH]c1=O)c2ccccc2
Cc2ccc(S(=O)(=O)NCc1nnc(N)s1)cc2	ZINC000000050252	O=S(=O)(NCc1nncs1)c2ccccc2
Cc1cccc2ncc(C(N)=O)c(=O)n12	ZINC000000010761	O=c1ccnc2ccccn12
OC[C@@H]2CC[C@@H](n1ccc(=O)[nH]c1=O)O2	ZINC000000120599	O=c2ccn(C1CCCO1)c(=O)[nH]2
COCC2(O)CN(C(=O)CS(=O)(=O)CC(=O)N1CC(O)(COC)C1)C2	ZINC000655123010	O=C(CS(=O)(=O)CC(=O)N1CCC1)N2CCC2
NS(=O)(=O)c2ccc(S(=O)(=O)NC1CCCC1)cc2	ZINC000000371441	O=S(=O)(NC1CCCC1)c2ccccc2
COC(=O)C1C(C(=O)OC)C(C(=O)OC)C1C(=O)OC	ZINC000000056701	C1CCC1
CC(=O)NC[C@@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)CCO1	ZINC000605228290	C1COCCN1
CC(C)OCCS(=O)(=O)NCC(=O)N2CC(N1CCNC1=O)C2	ZINC000521305550	O=C1NCCN1C2CNC2
COc3ccc(S(=O)(=O)N[C@H]1CCc2ccccc12)cc3OC	ZINC000000021702	O=S(=O)(NC1CCc2ccccc12)c3ccccc3
O=C3CN([C@@H]1C[C@H]1N2CC(=O)NC(=O)C2)CC(=O)N3	ZINC000019364582	O=C3CN(C1CC1N2CC(=O)NC(=O)C2)CC(=O)N3
O[C@@H]3CCN(C2CN(C(=O)[C@@H]1CC(=O)N1)C2)C3	ZINC000616549448	O=C3CC(C(=O)N2CC(N1CCCC1)C2)N3
O=S(=O)(NCCN1CCOCC1)N2CCNCC2	ZINC000020247689	O=S(=O)(NCCN1CCOCC1)N2CCNCC2
C[C@H](NC(=O)[C@@H](N)CO)C(O)=O	ZINC000002384800	nonring
CN1CCOC[C@@H]1CNC(=O)N2CCC[C@@](O)(C(N)=O)C2	ZINC000624741273	O=C(NCC1COCCN1)N2CCCCC2
Cn2c(N)c(N1CCNCC1)c(=O)n(C)c2=O	ZINC000004218576	O=c2[nH]cc(N1CCNCC1)c(=O)[nH]2
CC(=O)NN2CNc1ccccc1C2=O	ZINC000000085048	O=C1NCNc2ccccc12
CNS(=O)(=O)CCNC(=O)CN1CCN(S(C)(=O)=O)CC1	ZINC000440155396	C1CNCCN1
O=C(NCCN1CCOCC1)[C@@H]2COCCO2	ZINC000047953926	O=C(NCCN1CCOCC1)C2COCCO2
CCOC(=O)CSc1nnc(C)n1N	ZINC000000121979	c1nnc[nH]1
OC[C@H]1O[C@@H](O)[C@H](NC(=O)CS)[C@H](O)[C@@H]1O	ZINC000616590874	C1CCOCC1
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCN2CCC(O)CC2	ZINC000321521790	O=S(=O)(NCCN1CCCCC1)N2CCCC2
O=C2CN(C(=O)C(=O)N[C@H]1CCNC1)CCN2	ZINC000570698812	O=C2CN(C(=O)C(=O)NC1CCNC1)CCN2
CNS(=O)(=O)NCC(=O)NCC(C)(C)C#N	ZINC000332504662	nonring
OC(=O)CNC(=O)C3CCC(Cn2c(=O)[nH]c1ccccc1c2=O)CC3	ZINC000002199808	O=c2[nH]c1ccccc1c(=O)n2CC3CCCCC3
CCn2cnc(S(=O)(=O)NCC(=O)N1CCNCC1)c2	ZINC000092910517	O=C(CNS(=O)(=O)c1c[nH]cn1)N2CCNCC2
COc2nc(N1CCCC1)nc(N(CC=C)C#N)n2	ZINC000000110900	C2CCN(c1ncncn1)C2
CCc1ccccc1NC(=O)Cn2nnc(C(=O)OC)c2C(=O)OC	ZINC000000428822	O=C(Cn1ccnn1)Nc2ccccc2
C[C@@H](CN1CCOCC1)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O	ZINC000046035496	O=c2[nH]cc(S(=O)(=O)NCCN1CCOCC1)c(=O)[nH]2
CCn2c(N1CCCCC1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000000180649	O=c3[nH]c(=O)c2[nH]c(N1CCCCC1)nc2[nH]3
NCC(F)(F)CC(=O)N2CCN(C(=O)CN1CCOCC1)CC2	ZINC000583941915	O=C(CN1CCOCC1)N2CCNCC2
CNS(=O)(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC1	ZINC000651996960	C1CNCCN1
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N3CCN2C[C@H](O)C[C@H]2C3	ZINC000612189332	O=C(NC1CCS(=O)(=O)C1)C(=O)N3CCN2CCCC2C3
NC(=O)Cn2cc(NC(=O)NCCN1CCNC(=O)C1)ccc2=O	ZINC000650339511	O=C2CN(CCNC(=O)Nc1ccc(=O)[nH]c1)CCN2
O=C(CN1CCNCC1=O)N[C@@H]3[C@H]2CNC[C@H]23	ZINC000569971431	O=C(CN1CCNCC1=O)NC3C2CNCC23
CC(=O)O/N=C(/N1CCOCC1)c2nonc2N	ZINC000000264031	N=C(N1CCOCC1)c2cnon2
O[C@@H]2CCN(S(=O)(=O)CCN1CCNCC1)C2	ZINC000061712795	O=S(=O)(CCN1CCNCC1)N2CCCC2
CS(=O)(=O)N2CC[C@@H](NC(=O)[C@@H]1CNC(=O)C1)C2	ZINC000400217811	O=C2CC(C(=O)NC1CCNC1)CN2
CN(C)S(=O)(=O)NC[C@@H]1CCCO1	ZINC000000030464	C1CCOC1
OCCn2c(=O)[nH]c1ccsc1c2=O	ZINC000000103087	O=c2[nH]c(=O)c1sccc1[nH]2
CN2CC[C@@H](C(=O)NC[C@@H](N1CCNCC1)C(F)(F)F)S2(=O)=O	ZINC000648131095	O=C(NCCN1CCNCC1)C2CCNS2(=O)=O
O=CN2CCN(C(=O)Cc1ccc(N(=O)=O)cc1)CC2	ZINC000000453037	O=C(Cc1ccccc1)N2CCNCC2
Cn2c(=O)n(C)c1[nH]c(N)c(Cl)c(=O)c1c2=O	ZINC000000340950	O=c2[nH]c(=O)c1c(=O)cc[nH]c1[nH]2
CNS(=O)(=O)NCC(=O)N2C[C@H]1OCCN(C)[C@H]1C2	ZINC000408368069	C2COC1CNCC1N2
CN1[C@@H]2[C@@H](NC1=O)N(S(C)(=O)=O)CCN2S(C)(=O)=O	ZINC000004155628	O=C2NC1NCCNC1N2
O=C(CN1CCCS1(=O)=O)N3CC(S(=O)(=O)N2CCNCC2)C3	ZINC000647092252	O=C(CN1CCCS1(=O)=O)N3CC(S(=O)(=O)N2CCNCC2)C3
CN(C)CCCN[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000001771394	O=S1(=O)CCCC1
CNC(=O)CN2CCN(C(=O)C1(O)CNC1)CC2	ZINC000662787589	O=C(C1CNC1)N2CCNCC2
CCN(C)C(=O)[C@@H](C)NC(=O)CCNS(C)(=O)=O	ZINC000530509174	nonring
O=C1CNC(=S)N1Cc2ccccn2	ZINC000000076813	O=C1CNC(=S)N1Cc2ccccn2
CCCn2c(=O)n(C[C@H](C)CC)c1nn(CCN(C)C)nc1c2=O	ZINC000000024624	O=c2[nH]c(=O)c1n[nH]nc1[nH]2
CO[C@@H](C)C(=O)NCCNS(=O)(=O)N(C)C	ZINC000332512169	nonring
CCOC(=O)[C@@H](C(C)=O)C(=O)Nc1cn(C)c(=O)n(C)c1=O	ZINC000002532437	O=c1cc[nH]c(=O)[nH]1
CSCCNS(=O)(=O)c1cnn(CC(O)=O)c1	ZINC000035698761	c1cn[nH]c1
O=C(Cn1c(=O)ccc1=O)ON2C(=O)CCC2=O	ZINC000002504636	O=C(Cn1c(=O)ccc1=O)ON2C(=O)CCC2=O
CN(CCCNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)S(C)(=O)=O	ZINC000624552230	c1c[nH]cn1
N2N=C(c1cnccn1)N[C@@H]2c3cccnc3	ZINC000000127469	N2N=C(c1cnccn1)NC2c3cccnc3
CN(C)c2nc(N)nc(c1cccnc1)n2	ZINC000000178603	c2cncc(c1ncncn1)c2
CC[C@H]1N(C(=O)CNC(=O)CN)CCNC1=O	ZINC000104126936	O=C1CNCCN1
C[C@@H](NCCNS(C)(=O)=O)C(=O)N1CCOCC1	ZINC000035207938	C1COCCN1
CN2CCC(O)(CNC(=O)C1CN(C(C)=O)C1)CC2	ZINC000332491066	O=C(NCC1CCNCC1)C2CNC2
CN(C)c2nc1nonc1nc2N(C)C	ZINC000000097692	c2cnc1nonc1n2
CCN(C)C(=O)[C@@H](C)NS(=O)(=O)NC	ZINC000332477538	nonring
O[C@@H]2CO[C@H](Oc1ccccc1)[C@@H](O)[C@@H]2O	ZINC000000525576	C2CCC(Oc1ccccc1)OC2
CN(C=O)c1c(N)[nH]c(=O)n(C)c1=O	ZINC000002576758	O=c1cc[nH]c(=O)[nH]1
CS(=O)(=O)N2CCN(S(=O)(=O)NCC(=O)N1CCNCC1)CC2	ZINC000576837893	O=C(CNS(=O)(=O)N1CCNCC1)N2CCNCC2
CN(C)C(=O)CN(C#N)c1nc(Cl)nc(N(C)C)n1	ZINC000000050069	c1ncncn1
OC[C@H]3O[C@@H](n1cnc2cc(Cl)c(Cl)cc12)[C@@H](O)[C@H]3O	ZINC000000057285	C3COC(n1cnc2ccccc12)C3
COC(=O)c1ccc(C)c(N(CCO)CCO)c1	ZINC000000311921	c1ccccc1
ClC1=CC[C@@H]3[C@H](C1)C(=O)N(CCN2CCOCC2)C3=O	ZINC000000105252	O=C2C1CC=CCC1C(=O)N2CCN3CCOCC3
COc3ccc(N2N=C(C(=O)c1ccc(C)cc1)C(O)(O)C2=O)cc3	ZINC000000084956	O=C2CC(C(=O)c1ccccc1)=NN2c3ccccc3
O=C1CNC(=O)[C@H]2N1CCc3ccccc23	ZINC000000207688	O=C1CNC(=O)C2N1CCc3ccccc23
OCCn2ncc1ccccc1c2=O	ZINC000000069777	O=c1[nH]ncc2ccccc12
CCOC(=O)c1cc(C(=O)OCC)n(C)n1	ZINC000000032357	c1cn[nH]c1
COCCNCC(=O)N2CCN(S(=O)(=O)c1cc[nH]n1)CC2	ZINC000583933190	O=S(=O)(N1CCNCC1)c2cc[nH]n2
Cn1[nH]cnc1=NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2	ZINC000650096683	O=C(NC1CCNC1)N=c2nc[nH][nH]2
Cn1c(N(CCO)CCO)nc2n(C)c(=O)n(C)c(=O)c12	ZINC000001694256	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Cc2ccc1[nH]c(=O)c(=NNC(N)=N)c1c2	ZINC000000189060	N=c1c(=O)[nH]c2ccccc12
C[C@@H](NS(=O)(=O)c2ccc(N1CCCC1=O)cc2)C(=O)NCC(O)=O	ZINC000012364832	O=C1CCCN1c2ccccc2
CC(C)[C@@H](NC(=O)CNC(=O)CN)C(O)=O	ZINC000001635604	nonring
CNS(=O)(=O)NCC(=O)N1CCO[C@@H](C)[C@@H]1C(N)=O	ZINC000348857387	C1COCCN1
NC(=N)[C@@H]1CN(S(N)(=O)=O)CCO1	ZINC000167587000	C1COCCN1
CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC)[C@@H](C)C1	ZINC000026669215	C1CNCCN1
C[C@@H]1C[N@@](CCO)[C@H](C)CN1C(=O)CNS(=O)(=O)c2cccnc2	ZINC000616340831	O=C(CNS(=O)(=O)c1cccnc1)N2CCNCC2
CN2CCN(C(=O)CN1CC[C@@H](S(N)(=O)=O)C1)CC2	ZINC000408087363	O=C(CN1CCCC1)N2CCNCC2
COC(=O)CNC(=O)CNC(=O)CN	ZINC000001708444	nonring
CN(CCO)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	ZINC000671357051	C1CNCCN1
Cn1c(SCC(O)=O)nnc1c2ccc(N)cc2	ZINC000000112354	c2ccc(c1nnc[nH]1)cc2
COc1cc(NC(C)=O)nc(OC)n1	ZINC000000052501	c1cncnc1
CNS(=O)(=O)NCC(=O)NC1CC(NS(C)(=O)=O)C1	ZINC000653030889	C1CCC1
CCOC(=O)[C@@H]2NN=C(C(=O)c1ccccc1)[C@@H]2c3ccc(C)cc3	ZINC000000052503	O=C(C1=NNCC1c2ccccc2)c3ccccc3
NC(=O)c1[nH]cnc1N=NN(CCO)CCO	ZINC000001727767	c1c[nH]cn1
CC(=O)CN2C(=O)c1ccccc1S2(=O)=O	ZINC000000091773	O=C1NS(=O)(=O)c2ccccc12
CNC(=O)CN(C)S(=O)(=O)C[C@@H](C)C(=O)OC	ZINC000332488910	nonring
CS(=O)(=O)N2CCN(CC(=O)N[C@@H]1COC[C@@H]1O)CC2	ZINC000633854800	O=C(CN1CCNCC1)NC2CCOC2
NS(=O)(=O)c2ccc(CNC(=O)CCn1ccc(=O)[nH]c1=O)cc2	ZINC000011905149	O=C(CCn1ccc(=O)[nH]c1=O)NCc2ccccc2
OCC(=O)N2CCN(C(=O)[C@@H]1CC(=O)N1)CC2	ZINC000613039675	O=C2CC(C(=O)N1CCNCC1)N2
Cc2nc1c(=O)n(C)c(=O)n(C)c1nc2Cl	ZINC000000339457	O=c2[nH]c(=O)c1nccnc1[nH]2
O=S3(=O)N=C(N1CCOCC1)c2ccccc23	ZINC000000208421	O=S3(=O)N=C(N1CCOCC1)c2ccccc23
C[C@@H](CN1CCN(C)CC1)NC(=O)NC2CN(S(=O)(=O)N(C)C)C2	ZINC000623725135	O=C(NCCN1CCNCC1)NC2CNC2
CCOC(=O)c2nc1ccccc1c(=O)n2N	ZINC000000159200	O=c1[nH]cnc2ccccc12
CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000000040736	c1ccsc1
Cn2c(=O)ccn(CC(=O)N1CC[C@@](C)(O)C1)c2=O	ZINC000225162526	O=C(Cn1ccc(=O)[nH]c1=O)N2CCCC2
CSc2cc(=O)n([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c(=O)[nH]2	ZINC000004878515	O=c1cc[nH]c(=O)n1C2CCCO2
Cn1c(S(C)(=O)=O)nc2n(C)c(=O)n(C)c(=O)c12	ZINC000000535952	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CCNS(=O)(=O)[C@@H]2CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2	ZINC000646951235	O=C2CC(C(=O)N1CCCC1)NC(=O)N2
Oc1ccc(Cl)cc1NC=c2c(=O)[nH]c(=S)[nH]c2=O	ZINC000000059283	O=c1[nH]c(=S)[nH]c(=O)c1=CNc2ccccc2
CS(=O)(=O)N1CN(S(C)(=O)=O)c2ccccc12	ZINC000000281945	C2Nc1ccccc1N2
CC1(C)CC(NS(C)(=O)=O)CC(C)(C)N1O	ZINC000000036458	C1CCNCC1
O[C@H]2CN[C@@H](CNCn1ccnc1)[C@@H]2O	ZINC000026501036	C2CNC(CNCn1ccnc1)C2
CN1CN(C)C2=C(C1)S(=O)(=O)NCN2	ZINC000001759617	O=S1(=O)NCNC2=C1CNCN2
Cn2cnn(CC(=O)NCCN1CCNC(=O)C1)c2=O	ZINC000543759615	O=C2CN(CCNC(=O)Cn1nc[nH]c1=O)CCN2
CN(C)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000000116522	O=c1cc[nH]c(=O)[nH]1
Cn2cnn(CCC(=O)N1CCN(CC(N)=O)C(=O)C1)c2=O	ZINC000576648913	O=C2CN(C(=O)CCn1nc[nH]c1=O)CCN2
CC(C)S(=O)(=O)c2cnc(N1CCOCC1)nc2N	ZINC000000124865	C2CN(c1ncccn1)CCO2
C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)Cn2cccn2	ZINC000556372923	O=C(NCCCN1CCOCC1)C(=O)NCCCn2cccn2
CN(CC(=O)N1CCNCC1)S(=O)(=O)N2CCOCC2	ZINC000036284321	O=C(CNS(=O)(=O)N1CCOCC1)N2CCNCC2
O[C@H](CNC(=O)c1ccccc1)COc2ccc(N(=O)=O)cc2	ZINC000000154090	O=C(NCCCOc1ccccc1)c2ccccc2
NC[C@@H]2CN(C(=O)C1(O)CNC1)CCO2	ZINC000662766306	O=C(C1CNC1)N2CCOCC2
C[C@@H]2CN(C(=O)C(=O)N(C)[C@H]1CNC[C@@H]1O)C[C@@H](CO)O2	ZINC000423677526	O=C(NC1CCNC1)C(=O)N2CCOCC2
C[C@@H](O)CN2CCN(C(=O)C(=O)N1CCNC(=O)[C@H]1C)CC2	ZINC000410454245	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
O=c2[nH]c(=S)n(Cc1ccco1)c(=O)c2=CN3CCOCC3	ZINC000000463858	O=c2[nH]c(=S)n(Cc1ccco1)c(=O)c2=CN3CCOCC3
C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O	ZINC000000119291	O=c1[nH]c(=O)[nH]c(=O)[nH]1
CCCN2C[C@H](C(=O)N[C@@H]1CN(C)NC1=O)CC2=O	ZINC000334115793	O=C2CC(C(=O)NC1CNNC1=O)CN2
CS(=O)(=O)NC3CN(S(=O)(=O)c2ccc1[nH]c(=O)c(=O)[nH]c1c2)C3	ZINC000625433791	O=c3[nH]c2ccc(S(=O)(=O)N1CCC1)cc2[nH]c3=O
NC[C@@H]2CN(CC(=O)N1CCNC(=O)C1)CCO2	ZINC000358146948	O=C2CN(C(=O)CN1CCOCC1)CCN2
Cc1ccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1	ZINC000000296905	c1ccccc1
CNS(=O)(=O)NCC(=O)NCCNC(=O)c1ccn[nH]1	ZINC000339352776	c1cn[nH]c1
O=C(NC1CCC1)C(=O)N3CC(S(=O)(=O)N2CCNCC2)C3	ZINC000642780242	O=C(NC1CCC1)C(=O)N3CC(S(=O)(=O)N2CCNCC2)C3
CN([C@@H]1CCNC1)C(=O)Cn2cnnn2	ZINC000037469721	O=C(Cn1cnnn1)NC2CCNC2
CCN2C(=O)C1NNC(C(=O)OC)=C1C2=O	ZINC000004031425	O=C1NC(=O)C2=CNNC12
O=c3n(CN1CCCCC1)cnc4n(CCN2CCCCC2)cnc34	ZINC000000074880	O=c3n(CN1CCCCC1)cnc4n(CCN2CCCCC2)cnc34
COc2ccc(NC(=O)CNS(=O)(=O)c1cccs1)cc2	ZINC000000213723	O=C(CNS(=O)(=O)c1cccs1)Nc2ccccc2
CCC[C@@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)S(N)(=O)=O	ZINC000669169156	c1cn[nH]c1
CCOC(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000000156809	O=c1cc[nH]c(=O)[nH]1
CCn2c[n+](C[C@@H](O)COc1cccc(OC)c1)c3ccccc23	ZINC000000089094	C(COc1ccccc1)C[n+]2c[nH]c3ccccc23
CC(=O)Nc2c(O)nc(SCC(=O)NCc1ccccc1)[nH]c2=O	ZINC000000110245	O=C(CSc1nccc(=O)[nH]1)NCc2ccccc2
CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCC[C@@H]1[N@]2CC[C@@H](O)C2	ZINC000616437317	C2CCC(N1CCCC1)C2
CCNS(=O)(=O)c1cccc2nonc12	ZINC000000105007	c2ccc1nonc1c2
Cc2nn(C[C@@H](O)CO)c3[nH]c1ccccc1c(=O)c23	ZINC000000408132	O=c2c1ccccc1[nH]c3[nH]ncc23
NS(=O)(=O)N2CCN(C(=O)CN1CCOCC1=O)CC2	ZINC000329858932	O=C1COCCN1CC(=O)N2CCNCC2
CC(=O)NCc1ccc(S(=O)(=O)NN)cc1	ZINC000000162357	c1ccccc1
CC[N@]2CCO[C@H](CN1CCN(C(=O)CS(=O)(=O)NC)CC1)C2	ZINC000370218631	C2COC(CN1CCNCC1)CN2
COC(=O)C[C@@H](C)CC(=O)N1C[C@H](O)C[C@H]1C(N)=O	ZINC000600241891	C1CCNC1
CC(=O)Oc1cc(CO)cc(OC(C)=O)c1OC(C)=O	ZINC000000163346	c1ccccc1
CN([C@@H]1CCNC1=O)C(=O)CNS(=O)(=O)c2cn(C)cn2	ZINC000536270395	O=C(CNS(=O)(=O)c1c[nH]cn1)NC2CCNC2=O
OCC(CO)(N(=O)=O)c1ccccc1	ZINC000000134523	c1ccccc1
CCOc1cccc2cc(C(O)=O)c(=O)oc12	ZINC000000084547	O=c2ccc1ccccc1o2
NC(=O)CCS(=O)(=O)C=C	ZINC000000390936	nonring
CCS(=O)(=O)NCC(=O)N[C@@]1(C)CCN(C(=O)CNS(=O)(=O)CC)C1	ZINC000647729094	C1CCNC1
CC(C)OC(=O)c2ccc(NC(=O)CSc1nc(=O)c(C)n[nH]1)cc2	ZINC000001281511	O=C(CSc1nc(=O)cn[nH]1)Nc2ccccc2
CN(C)C=C(C=O)c1n[nH]cc1N(=O)=O	ZINC000000084894	c1cn[nH]c1
COCCN(CC=C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)N)C1	ZINC000643543659	C1COCCN1
NC(=N)c2ccn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c2	ZINC000035803836	C2COC(n1cccc1)C2
NC(=O)NC(=O)Cn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O	ZINC000299249701	O=c1[nH]c(=O)[nH]c(=O)[nH]1
Cc1c(C#N)c(C#N)c(N)n1NC(N)=O	ZINC000000500741	c1cc[nH]c1
OCc1cc(CO)c(O)c(=O)c(CO)c1	ZINC000000179220	O=c1cccccc1
C=C(CC(=O)N1CCOCC1)C(=O)N2CCOCC2	ZINC000000128966	C=C(CC(=O)N1CCOCC1)C(=O)N2CCOCC2
CCC[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1	ZINC000616309746	C1CCNCC1
Cc2nc1ccccc1c(=O)n2CCC(=O)NC(C(N)=O)C(N)=O	ZINC000029782451	O=c1[nH]cnc2ccccc12
Cn3c(=O)n(C)c2ncn(CC(=O)c1ccc(Cl)cc1)c2c3=O	ZINC000000041793	O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c12)c3ccccc3
CC(C)(CO)[C@@H](O)C(=O)NCCO	ZINC000001599739	nonring
Cc3nc2CC[C@H](NCC(=O)N1CCNC(=O)C1)Cn2n3	ZINC000072268061	O=C3CN(C(=O)CNC2CCc1ncnn1C2)CCN3
Cc3nn(CC(=O)Nc2nc(N1CCNCC1)n[nH]2)c(=O)n3C	ZINC000655418119	O=C(Cn1nc[nH]c1=O)Nc3nc(N2CCNCC2)n[nH]3
CC(=O)c2c(NN1CCOCC1)oc(C)cc2=O	ZINC000000033582	O=c2ccoc(NN1CCOCC1)c2
O=C(NCc1cccnc1)c3cccc(S(=O)(=O)N2CCCC2)c3	ZINC000000049228	O=C(NCc1cccnc1)c3cccc(S(=O)(=O)N2CCCC2)c3
FC(F)C(=O)N1CCN(C(=O)C(F)F)CC1	ZINC000000286501	C1CNCCN1
NC(=O)CN3CCN(C(=O)C2(n1cnnn1)CC2)CC3=O	ZINC000616225013	O=C3CN(C(=O)C2(n1cnnn1)CC2)CCN3
CN2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)CC2=O	ZINC000525437709	O=C2CN(C(=O)NCCS(=O)(=O)NCC1CCCCO1)CCN2
NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O	ZINC000100497857	c1c[nH]cn1
COc1ccc(CN(CC(=O)NC(N)=O)CC(=O)NC(N)=O)cc1	ZINC000032831211	c1ccccc1
N[C@H](Cc1c[nH]cn1)C(=O)NCC(O)=O	ZINC000004533539	c1c[nH]cn1
CN1CCN(C(=O)/C=C/C(O)=O)CC1	ZINC000000240472	C1CNCCN1
COc1ccccc1CN(CC(=O)NC(N)=O)CC(=O)NC(N)=O	ZINC000032831216	c1ccccc1
O=C3N[C@@H](N1CCNC1=O)[C@H](N2CCNC2=O)N3	ZINC000004593525	O=C3NC(N1CCNC1=O)C(N2CCNC2=O)N3
Cc1nn(C)c(C)c1NC(=O)c2c(N(=O)=O)cnn2C	ZINC000000087014	O=C(Nc1cn[nH]c1)c2ccn[nH]2
C[C@@H](C(=O)N(C)C)S(=O)(=O)N(CCO)CCO	ZINC000332460688	nonring
NS(=O)(=O)[C@@H]2CCN(C(=O)C(=O)NCCOC[C@@H]1CCCO1)C2	ZINC000557124997	O=C(NCCOCC1CCCO1)C(=O)N2CCCC2
CC(=O)Oc3ccc(\C=c2\sc1ncnn1c2=O)cc3	ZINC000000208307	O=c2c(=Cc1ccccc1)sc3ncnn23
CS(=O)(=O)N2CCC[C@H](NC(=O)CCCN1C(=O)CNC1=O)C2	ZINC000139260636	O=C(CCCN1C(=O)CNC1=O)NC2CCCNC2
CNC(=O)C2(C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)CC2	ZINC000068515852	O=C(C1CC1)N2CCCCC2
Cn2n(C)c(=O)n(c1ccc(S(N)(=O)=O)cc1)c2=O	ZINC000000033762	O=c1[nH][nH]c(=O)n1c2ccccc2
CC(=O)n1c(CC#N)nc2n(C)c(=O)n(C)c(=O)c12	ZINC000000389398	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
NC(=O)C[C@@H]2CN(C(=O)C(=O)NC1CNC1)CCO2	ZINC000627407573	O=C(NC1CNC1)C(=O)N2CCOCC2
Nc2nc(=O)nc3N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CN=c23	ZINC000095889690	O=c3ncc2=NCN(C1CCCO1)c2n3
Nc2nc(=O)n([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)cc2I	ZINC000017044138	O=c1ncccn1C2CCCO2
CN1C[C@H](NC(=O)[C@@H](N)CCCNC(N)=NN(=O)=O)C[C@H]1C(N)=O	ZINC000035064496	C1CCNC1
CN(C)S(=O)(=O)N2CC(NC(=O)NCCn1cc(N(=O)=O)cn1)C2	ZINC000599005444	O=C(NCCn1cccn1)NC2CNC2
CN(C)CCn1nnnc1S[C@@H]2CCNC2=O	ZINC000332654282	O=C1NCCC1Sc2nnn[nH]2
C[C@H](NC(=O)CSCC(=O)N1CCOCC1)C(O)=O	ZINC000036973767	C1COCCN1
CCn2cccc(NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1)c2=O	ZINC000628032210	O=C(NC1CNC1)C(=O)Nc2ccc[nH]c2=O
Cn3c(=O)n(C)c2nc(NCc1ccccc1)n(CC(N)=O)c2c3=O	ZINC000000079021	O=c3[nH]c(=O)c2[nH]c(NCc1ccccc1)nc2[nH]3
CC2CN([C@@H](C)C(=O)N1CC[C@@](O)(C(N)=O)C1)C2	ZINC000584004089	O=C(CN1CCC1)N2CCCC2
CCOC(=O)Cc2csc(NC(=O)CSc1nccn1C)n2	ZINC000000135737	O=C(CSc1ncc[nH]1)Nc2nccs2
CN(C)S(=O)(=O)c2ccc(C)c(NC(=O)CSc1nccc(=O)[nH]1)c2	ZINC000006382630	O=C(CSc1nccc(=O)[nH]1)Nc2ccccc2
COC(=O)c2ccc(Nc1cc(=O)[nH]c(=O)[nH]1)cc2	ZINC000000262573	O=c2cc(Nc1ccccc1)[nH]c(=O)[nH]2
CCOC[C@@H](O)CN1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1	ZINC000609278496	C1CNCCN1
CC1=C(C)S(=O)(=O)CCS1(=O)=O	ZINC000000262300	O=S1(=O)CCS(=O)(=O)C=C1
COCCNC(=O)C2(NC(=O)CN1CCCNC1=O)CC2	ZINC000622697629	O=C(CN1CCCNC1=O)NC2CC2
CC(=O)Nc1c(N)[nH]c(=O)[nH]c1=O	ZINC000000967237	O=c1cc[nH]c(=O)[nH]1
Cn2c(=O)n(C)c3cc(\C=c1\[nH]c(=O)[nH]c1=O)ccc23	ZINC000000094624	O=c3[nH]c(=O)c(=Cc2ccc1[nH]c(=O)[nH]c1c2)[nH]3
CN(C)[C@@H]2CN(C(=O)CN1CCN(CCO)CC1)C[C@H]2O	ZINC000257233104	O=C(CN1CCNCC1)N2CCCC2
COCCN(CC(N)=O)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000058190979	O=c1cc[nH]c(=O)[nH]1
COc3c(C)c(=O)c2n1CC[C@H](O)c1c(CO)c2c3=O	ZINC000000004240	O=c2ccc(=O)c3n1CCCc1cc23
Cc3cccc(Nc1ccncc1S(=O)(=O)NC(=O)NN2CCOCC2)c3	ZINC000000987818	O=C(NN1CCOCC1)NS(=O)(=O)c2cnccc2Nc3ccccc3
CC/N=C1\S[C@@H](C(=O)NC)CC(=O)N1CC	ZINC000000077510	N=C1NC(=O)CCS1
CC[C@@H](O)CN2CCN(C(=O)C(=O)N1CCNC(=O)[C@@H]1C)CC2	ZINC000410451975	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
CN2C(=O)C[C@H](NCCc1ccc(S(N)(=O)=O)cc1)C2=O	ZINC000000077515	O=C2CC(NCCc1ccccc1)C(=O)N2
CCOC(=O)C[C@@H](O)C(=O)N2CCN(c1nccnn1)CC2	ZINC000600187648	C2CN(c1nccnn1)CCN2
Nc1non(=O)c1C(=O)NCc2ccco2	ZINC000000371795	O=C(NCc1ccco1)c2cnon2=O
Cn2cc(S(=O)(=O)NCCN1CCC(O)CC1)cc2C(N)=O	ZINC000321520243	O=S(=O)(NCCN1CCCCC1)c2cc[nH]c2
Nc1non(=O)c1C(=O)N2CCCC2	ZINC000000371790	O=C(N1CCCC1)c2cnon2=O
CNC(=O)c2ccc(OC)c(S(=O)(=O)N1CCOCC1)c2	ZINC000000467164	O=S(=O)(N1CCOCC1)c2ccccc2
CC(C)[C@@H](NC(=O)c1cn(CCN)nn1)C(=O)N2CCOCC2	ZINC000583333880	O=C(CNC(=O)c1c[nH]nn1)N2CCOCC2
COC(=O)c2ccc(NC(=O)Cn1c(C)ncc1N(=O)=O)cc2	ZINC000000105879	O=C(Cn1ccnc1)Nc2ccccc2
O=C2C[C@@H](C(=O)NCCc1ccccc1)SC3=NCCN23	ZINC000000105874	O=C2CC(C(=O)NCCc1ccccc1)SC3=NCCN23
CCN3CCCN(C(=O)C(=O)N2CC[C@@]1(CCNC1)C2)CC3=O	ZINC000643546958	O=C3CN(C(=O)C(=O)N2CCC1(CCNC1)C2)CCCN3
CCOC(=O)N3CCN(C(=O)Cn2nnc1ccccc1c2=O)CC3	ZINC000000425491	O=C(Cn2nnc1ccccc1c2=O)N3CCNCC3
NCC(=O)N2CCC(C(=O)N[C@@H](Cc1ccccc1)C(O)=O)CC2	ZINC000002126038	O=C(NCCc1ccccc1)C2CCNCC2
NC(=O)c2ncn([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c2N	ZINC000004877294	C2COC(n1ccnc1)C2
Nc3nc2n(C[C@@]1(CO)O[C@@H]1CO)cnc2c(=O)[nH]3	ZINC000028264301	O=c2[nH]cnc3n(CC1CO1)cnc23
CS(=O)(=O)OCCOS(C)(=O)=O	ZINC000001747897	nonring
C[C@@H](N)C(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000037802569	C1CNCCN1
CCCN(CC(=O)NC)C(=O)CNC(N)=O	ZINC000332433239	nonring
C[C@H](CN(C)S(=O)(=O)NCCNC(=O)N(C)C)C#N	ZINC000332506826	nonring
CCSc2nc1n(C)c(=O)[nH]c(=O)c1n2C	ZINC000000180660	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)C(N)=O)cc1	ZINC000588814429	c1ccccc1
C[C@@H]2O[C@H](NNC(=O)c1ccc(Cl)cc1)[C@H](O)[C@H](O)[C@@H]2O	ZINC000000291903	O=C(NNC1CCCCO1)c2ccccc2
O=C(Cn1cncn1)NC[C@@H]2CNCCO2	ZINC000036285186	O=C(Cn1cncn1)NCC2CNCCO2
O=C(Cn2c(=O)c1ccccc1c2=O)NCCc3ccccc3	ZINC000000047099	O=C(Cn2c(=O)c1ccccc1c2=O)NCCc3ccccc3
O[C@@H]2CO[C@@H](O[C@@H]1CCNC(=O)[C@H]1O)[C@@H](O)[C@H]2O	ZINC000065734347	O=C2CC(OC1CCCCO1)CCN2
CC(=O)O[C@@H](CO)C(NC(=O)n1c(=O)ccc1=O)NC(=O)n2c(=O)ccc2=O	ZINC000001703873	O=C(NCNC(=O)n1c(=O)ccc1=O)n2c(=O)ccc2=O
COC[C@@H](O)CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000338433251	C1CNCCN1
O[C@H]2[C@H](O)[C@H](O)C(=O)N1[C@H](C(=O)NCC=C)CS[C@@H]1[C@@H]2O	ZINC000257257566	O=C2CCCCC1SCCN12
CCn2c(=O)n(C)c1nc(SCC(N)=O)n(C)c1c2=O	ZINC000000412503	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CC(C)C[C@@H](N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O	ZINC000026467735	C1CCNC1
CN(C)C(=O)C[C@@]2(O)CCCN(C(=O)C(=O)N1CCNC(=O)C1)C2	ZINC000644910084	O=C2CN(C(=O)C(=O)N1CCCCC1)CCN2
COc2ccc(N1C(=O)CS(=O)CC1=O)cc2	ZINC000000406422	O=C1CS(=O)CC(=O)N1c2ccccc2
COc2ccc1ncccc1c2C=c3c(=O)[nH]c(=S)[nH]c3=O	ZINC000000272547	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2cccc3ncccc23
CC(C)c1nnnn1CC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2	ZINC000583938507	O=C(Cn1cnnn1)NC2CCNC2
O=C3C[C@@H](c2ccc(S(=O)(=O)NCc1ccco1)cc2)CN3	ZINC000000111078	O=C3CC(c2ccc(S(=O)(=O)NCc1ccco1)cc2)CN3
Cn2c(=O)n(CC(=O)N1CCOCC1)c3ccccc23	ZINC000000542196	O=C(Cn1c(=O)[nH]c2ccccc12)N3CCOCC3
N[C@H](CN1CCC(=O)NC1=O)C(O)=O	ZINC000001606520	O=C1CCNC(=O)N1
C[C@@H](CN1CCOCC1)C(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622691661	O=C2CN(C(=O)CCN1CCOCC1)CCN2
CN2C(=O)CN(CC(=O)N1CCCC[C@@H]1CNC(N)=O)C2=O	ZINC000625087827	O=C2CN(CC(=O)N1CCCCC1)C(=O)N2
COCCn2cc(C(=O)N1CCN(CC(N)=O)C(=O)C1)c(C)n2	ZINC000622691668	O=C2CN(C(=O)c1cn[nH]c1)CCN2
C[C@H](N(c1ccccc1)S(C)(=O)=O)C(=O)N(C)Cc2ccccc2	ZINC000000080092	O=C(CNc1ccccc1)NCc2ccccc2
CC(=O)N[C@@]2(C(C)=O)C(=O)N(C(C)=O)c1ccccc12	ZINC000000196720	O=C2Cc1ccccc1N2
CNC(=O)CC(=O)N(C)CC(C)(CO)CO	ZINC000332510568	nonring
COCC(COC)N3CCN(C(=O)C(=O)N2CC[C@@H]1CCN[C@@H]1C2)CC3	ZINC000643563182	O=C(N1CCNCC1)C(=O)N3CCC2CCNC2C3
NS(=O)(=O)N2CC[C@@H]1OCCN[C@H]1C2	ZINC000404257225	C2COC1CCNCC1N2
Cn2c(NC(=O)c1cccc(N(=O)=O)c1)cc(=O)n(C)c2=O	ZINC000000441420	O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c2ccccc2
CC1(C)CCC(NC(=O)[C@@H](N)CCC(O)=O)CC1	ZINC000000006138	C1CCCCC1
COc2cc(/C=C/C(O)=O)cc(S(=O)(=O)N1CCCC1)c2OC	ZINC000000167120	O=S(=O)(N1CCCC1)c2ccccc2
Cc1nn(CCO)c(N)c1C(N)=O	ZINC000001718420	c1cn[nH]c1
OC[C@H]2O[C@@H](n1ncc(=O)[nH]c1=S)[C@H](O)[C@@H]2O	ZINC000004301396	O=c2cnn(C1CCCO1)c(=S)[nH]2
NC(N)N=NC=C(N=NC(N)=N)C(F)(F)F	ZINC000008617573	nonring
CN(C)C3(CNC(=O)C2(n1cnnn1)CCOCC2)CC3	ZINC000616343677	O=C(NCC1CC1)C3(n2cnnn2)CCOCC3
CS(=O)(=O)N[C@@H]3[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[C@H]2CCO[C@H]23	ZINC000223761585	O=C(Cn1ccc(=O)[nH]c1=O)NC2CC3OCCC23
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O	ZINC000003778476	nonring
COC(=O)C2CCN(C(=O)CN1C(=O)CNC1=O)CC2	ZINC000035151636	O=C1CNC(=O)N1CC(=O)N2CCCCC2
CCOC(=O)C2[C@@H](c1ccccc1OC(C)C)NC(=S)N=C2C	ZINC000000080896	S=C2NC(c1ccccc1)CC=N2
C[C@@H](CNC(=O)C(=O)N2CC(C1CC1)C2)S(N)(=O)=O	ZINC000643599182	C1CC1C2CNC2
COCCOc1ncccc1C(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622690826	O=C2CN(C(=O)c1cccnc1)CCN2
CSCC(=O)NCCC(=O)NC(N)=O	ZINC000332453007	nonring
CCOC(=O)C=Nc1c(N)n(C)c(=O)[nH]c1=O	ZINC000000339608	O=c1cc[nH]c(=O)[nH]1
CCN(CC)S(=O)(=O)CC(=O)NCC(=O)NC	ZINC000332439192	nonring
COC(=O)CCc1sc(C(=O)OC)cc1NC(C)=O	ZINC000000054859	c1ccsc1
CC(=O)Nc1c(NC(C)=O)c(=O)n(C)c(=O)n1C	ZINC000000339604	O=c1cc[nH]c(=O)[nH]1
NC(=O)N2CCN(C(=O)c1ccco1)CC2	ZINC000000234851	O=C(N1CCNCC1)c2ccco2
CN2CCN(C(=O)C(=O)NC[C@@H]1COCCN1)CC2=O	ZINC000627475155	O=C2CN(C(=O)C(=O)NCC1COCCN1)CCN2
CC[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)NC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000468788522	nonring
CN(C)S(=O)(=O)NCCNC(=O)Nc1ccc(=O)n(CC(N)=O)c1	ZINC000650336340	O=c1cccc[nH]1
Cc1[nH]c(=O)[nH]c(=O)c1CN2CCOCC2	ZINC000000369003	O=c2[nH]cc(CN1CCOCC1)c(=O)[nH]2
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c2cocn2	ZINC000600121386	O=C(CNC(=O)c1cocn1)N2CCCC2
CNC(=S)NN=C1NCCCN1	ZINC000001643177	N=C1NCCCN1
CN(/N=C/C=N/N(C)C1=NCCN1)C2=NCCN2	ZINC000001643171	C2CN=C(NN=CC=NNC1=NCCN1)N2
NC(=O)Cn2c(=O)ccn([C@H]1C[C@H](O)[C@@H](CO)O1)c2=O	ZINC000045364499	O=c2ccn(C1CCCO1)c(=O)[nH]2
NS(=O)(=O)N2CCN(C(=O)CCn1cncn1)CC2	ZINC000040380815	O=C(CCn1cncn1)N2CCNCC2
O=C1COCC(=O)N1c2cccc(C#N)c2	ZINC000000100830	O=C1COCC(=O)N1c2ccccc2
Fc1ccccc1C(=O)NCC(=O)N=C2NCCS2	ZINC000000187650	O=C(CNC(=O)c1ccccc1)N=C2NCCS2
OC(=O)CC2(CC(=O)Nc1cccnc1)CCCCC2	ZINC000000070069	O=C(CC1CCCCC1)Nc2cccnc2
COC(=O)\C=c2\sc1=NCCn1c2=O	ZINC000000187658	C=c2sc1=NCCn1c2=O
NC(=O)Cn1c(=O)oc2ccc(N(=O)=O)cc12	ZINC000000169256	O=c2[nH]c1ccccc1o2
O[C@H](COC[C@@H]1CCCO1)CN3CC(N2CCNC2=O)C3	ZINC000660688977	O=C1NCCN1C3CN(CCCOCC2CCCO2)C3
CC(=O)C1=C(O)C(=O)N(CO)[C@@H]1c2cccc(N(=O)=O)c2	ZINC000000077877	O=C2NC(c1ccccc1)C=C2
C/C(=N/N=C1\NC(=O)C[C@H](C(O)=O)S1)c2cccs2	ZINC000000052696	O=C2CCSC(=NN=Cc1cccs1)N2
O[C@H]1CNC[C@H]1CNC(=O)c2cn(CC=C)nn2	ZINC000648133313	O=C(NCC1CCNC1)c2c[nH]nn2
CN(C)S(=O)(=O)N2CC(NC(=O)C(=O)Nc1ccc(F)cn1)C2	ZINC000628032025	O=C(NC1CNC1)C(=O)Nc2ccccn2
CCN2CCN(C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1)CC2	ZINC000459817348	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
CNS(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C	ZINC000332446809	nonring
OC[C@H](O)Cn3cnc2sc1CCCCc1c2c3=O	ZINC000000151080	O=c2[nH]cnc3sc1CCCCc1c23
C[C@H]2COC(=O)C(=NNc1cc(N(=O)=O)ccc1C)N2	ZINC000000075580	O=C1OCCNC1=NNc2ccccc2
Cc3nn2c(=O)c(=Cc1ccccn1)sc2nc3=O	ZINC000000138095	O=c3cnn2c(=O)c(=Cc1ccccn1)sc2n3
CCOC(=O)c2sc(NC(=O)c1ccc(N(=O)=O)cc1)nc2C	ZINC000000083269	O=C(Nc1nccs1)c2ccccc2
COc2ccc(S(=O)(=O)Nc1cc(N(=O)=O)ccc1OC)cc2	ZINC000000183371	O=S(=O)(Nc1ccccc1)c2ccccc2
O=C3N[C@@H](C(=O)N2CCn1nncc1C2)CO3	ZINC000497122461	O=C3NC(C(=O)N2CCn1nncc1C2)CO3
Cc2cc(C(F)(F)F)n1nc(C(O)=O)cc1n2	ZINC000000058932	c2cnc1ccnn1c2
C[C@@H](N)CNC(=O)CCS(=O)(=O)N(C)C	ZINC000648129178	nonring
CCN(C)C(=O)CNC(=O)NCCO	ZINC000332470203	nonring
CC1(C)NC(=O)N(CC(=O)NC(CO)CO)C1=O	ZINC000087750263	O=C1CNC(=O)N1
O=C(CN1CCCS1(=O)=O)N[C@H]3CN(CCN2CCOCC2)C(=O)C3	ZINC000363336800	O=C(CN1CCCS1(=O)=O)NC3CN(CCN2CCOCC2)C(=O)C3
CCCS(=O)(=O)N1CCC(C(=O)NC)CC1	ZINC000000263303	C1CCNCC1
C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N2CC(=O)NCC2=O	ZINC000004760649	O=C(CCc1ccccc1)NCC(=O)N2CC(=O)NCC2=O
CC(=O)N[C@H](C(=O)NCc1ccccc1)c2ccsc2	ZINC000000008036	O=C(Cc1ccsc1)NCc2ccccc2
O=C3CN(CC(=O)N2CCC[C@H](C(=O)N1CCNCC1)C2)C(=O)N3	ZINC000428625871	O=C3CN(CC(=O)N2CCCC(C(=O)N1CCNCC1)C2)C(=O)N3
O=C(NCCCN1CCOCC1)NCCn2cnc(C#N)n2	ZINC000558345727	O=C(NCCCN1CCOCC1)NCCn2cncn2
CCOC(=O)c1c(C)n(CCNC(C)=O)c2ccc(O)cc12	ZINC000000036617	c2ccc1[nH]ccc1c2
CCN2CCN(C(=O)[C@H](C)N1CCOC[C@@H](O)C1)CC2	ZINC000332281158	O=C(CN1CCCOCC1)N2CCNCC2
C[C@H](N2CCN(C(=O)C(=O)NC1CC1)CC2)C(=O)NC(N)=O	ZINC000047406157	O=C(NC1CC1)C(=O)N2CCNCC2
CS(=O)(=O)c1ccc(CCC(O)=O)cc1	ZINC000000154306	c1ccccc1
OC(=O)CN2C(=O)C[C@@H](Cc1ccccc1)C2=O	ZINC000000203021	O=C2CC(Cc1ccccc1)C(=O)N2
COC(=O)c2cc(S(=O)(=O)N1CCOCC1)oc2C	ZINC000000114769	O=S(=O)(N1CCOCC1)c2ccco2
C[C@@H](O)C(=O)OCCOCCOC(=O)[C@@H](C)O	ZINC000001673350	nonring
Cc1cc(=O)oc2c(CN(CCO)CCO)c(O)c(O)cc12	ZINC000000186268	O=c2ccc1ccccc1o2
NS(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]1CCN(CC(F)F)C1)C2	ZINC000616349227	O=C(NC1CCNC1)C2CCCNC2
CS(=O)(=O)O[C@H](C=O)[C@@H](O)[C@H](O)CO	ZINC000001634090	nonring
COc3ccc(NC(=O)Cn2nnc(c1ccccc1)n2)c(OC)c3	ZINC000000087815	O=C(Cn2nnc(c1ccccc1)n2)Nc3ccccc3
OC[C@H]1CC[C@@H](CO)[N@]1CC(=O)N2CCNC(=O)C2	ZINC000347339076	O=C2CN(C(=O)CN1CCCC1)CCN2
CC(=O)C(C(C)=O)=C(N)N1CCOCC1	ZINC000000274675	C1COCCN1
C[C@H]2CN(C(=O)CN1CC(=O)NC1=O)CCN2CCO	ZINC000330331082	O=C2CN(CC(=O)N1CCNCC1)C(=O)N2
Nn2c(Cc1ccccc1)nnc2SCC(O)=O	ZINC000000244790	C(c1ccccc1)c2nnc[nH]2
O=C(COc1ccccc1)Nc3ccc(N2CCOCC2)cc3	ZINC000000037873	O=C(COc1ccccc1)Nc3ccc(N2CCOCC2)cc3
CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c2cnc(C)n2C	ZINC000624964220	O=C(CNS(=O)(=O)c1cnc[nH]1)N2CCCC2
COc2ccc(C(=O)N1CC(=O)N(C)C(=O)C1)nn2	ZINC000583919933	O=C2CN(C(=O)c1cccnn1)CC(=O)N2
CS(=O)(=O)NCc2ccc(C(=O)NC1CCCCC1)cc2	ZINC000000111386	O=C(NC1CCCCC1)c2ccccc2
CNC(=O)CN2CCN(C(=O)COC1(C)CNC1)CC2	ZINC000161115468	O=C(COC1CNC1)N2CCNCC2
CCOC(=O)c2nc1c(=O)n(C)c(=O)n(C)c1n(C)c2=O	ZINC000000339454	O=c2cnc1c(=O)[nH]c(=O)[nH]c1[nH]2
Cc2cc1[nH]c(=O)c(=O)[nH]c1c(N(=O)=O)c2C	ZINC000000006308	O=c2[nH]c1ccccc1[nH]c2=O
COC(=O)CN1CCC(NCCS(=O)(=O)N(C)C)CC1	ZINC000356503094	C1CCNCC1
COC(=O)C(=C/c1ccc(S(C)(=O)=O)n1C)/C#N	ZINC000000334490	c1cc[nH]c1
Nc3nc2n([C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)cnc2c(=S)[nH]3	ZINC000001699852	S=c2[nH]cnc3n(C1CCCCO1)cnc23
CCOC[C@@H](O)CN2CCN(C(=O)c1cc(=O)n(C)[nH]1)CC2	ZINC000668379674	O=C(N1CCNCC1)c2cc(=O)[nH][nH]2
Brc2c(N1CCOCC1)ncnc2N3CCOCC3	ZINC000000115018	C3CN(c2cc(N1CCOCC1)ncn2)CCO3
NC(=O)CN2CCN(C(=O)C(=O)N1CCC[C@@](O)(CC(N)=O)C1)CC2=O	ZINC000644917519	O=C2CN(C(=O)C(=O)N1CCCCC1)CCN2
CC(C)C[C@H](N)C(=O)NCC(N)=O	ZINC000001605449	nonring
CCOC(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000000258630	C1CNCCN1
COc2ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]1CCCO1)cc2	ZINC000000382476	O=C(CNS(=O)(=O)c1ccccc1)NCC2CCCO2
Cc1nonc1OCCn2c(C)ncc2N(=O)=O	ZINC000000051984	C(Cn1ccnc1)Oc2cnon2
Cn2c(=O)ccn(CC(=O)N1CCNC(=O)C1)c2=O	ZINC000048112212	O=C2CN(C(=O)Cn1ccc(=O)[nH]c1=O)CCN2
OCC1(N(=O)=O)COC3(OC1)C(=O)Nc2ccccc23	ZINC000000086858	O=C2Nc1ccccc1C23OCCCO3
Cn2c(=O)n(CC(=O)N[C@@H](CO)CN1CCOCC1)c(=O)c2=O	ZINC000614409061	O=C(Cn1c(=O)[nH]c(=O)c1=O)NCCN2CCOCC2
Cc2nccc(N1CCN(S(C)(=O)=O)CC1)n2	ZINC000000013140	C2CN(c1ccncn1)CCN2
Cc2cc(N1CCN(S(C)(=O)=O)CC1)ncn2	ZINC000000013147	C2CN(c1ccncn1)CCN2
CCO[C@@H]2CN(C(=O)C(=O)N1CCNC(=O)C1)C[C@H]2CN	ZINC000652725406	O=C2CN(C(=O)C(=O)N1CCCC1)CCN2
Cn3c(Cn2nnc(c1ccccc1)n2)nnc3SCC(N)=O	ZINC000000615407	C(c1nnc[nH]1)n3nnc(c2ccccc2)n3
NC(NC=O)=NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000077292857	C1CCOC1
C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCN	ZINC000029132560	C1CCNCC1
C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[N@]1CCNC(C)=O	ZINC000029132562	C1CCNCC1
O=C(CSc2nc1cccnc1[nH]2)N3CCOCC3	ZINC000000032611	O=C(CSc2nc1cccnc1[nH]2)N3CCOCC3
COC(=O)[C@H]2CN(Cc1ccccn1)C(=O)C2=O	ZINC000000168860	O=C2CCN(Cc1ccccn1)C2=O
N=C(NCCN1C(=O)CNC1=O)N2CCOCC2	ZINC000262549535	N=C(NCCN1C(=O)CNC1=O)N2CCOCC2
CCCN(CCC)c2ccc(C=c1c(=O)[nH]c(=S)[nH]c1=O)cc2	ZINC000000176417	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccc2
COc1cc(NS(=O)(=O)N(C)C)c(OC)cc1Cl	ZINC000000068321	c1ccccc1
Cn2c(NCC[N@]1CC[C@@H](O)C1)cc(=O)n(C)c2=O	ZINC000624677580	O=c2cc(NCCN1CCCC1)[nH]c(=O)[nH]2
CCN2CCC(NC(=O)CN1CC[C@@H](NS(C)(=O)=O)C1)CC2	ZINC000116889931	O=C(CN1CCCC1)NC2CCNCC2
O[C@@H](COc1ccc(N(=O)=O)cc1)Cn3c(=O)c2ccccc2c3=O	ZINC000000033561	O=c2n(CCCOc1ccccc1)c(=O)c3ccccc23
COc3cccc(NC(=O)[C@@H](C)n2c(=O)c1ccccc1c2=O)c3	ZINC000000044283	O=C(Cn2c(=O)c1ccccc1c2=O)Nc3ccccc3
CCOc2cnc(C(=O)N1CCN(CC(N)=O)C(=O)C1)cn2	ZINC000622691417	O=C2CN(C(=O)c1cnccn1)CCN2
Cn1cnc2c(=O)[nH]c(=O)[nH]c12	ZINC000000391790	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622691415	O=C2CN(C(=O)CCn1ccccc1=O)CCN2
CC1(C)[C@H](C#N)C(=O)NC(N)=C1C(N)=O	ZINC000000393586	O=C1CCC=CN1
COC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1O	ZINC000000160679	C1CCCCC1
COc2cc(C(=O)NCc1ccc(C)nc1N)cc(OC)c2OC	ZINC000000002225	O=C(NCc1cccnc1)c2ccccc2
CC[C@H](O)CNC(=O)CS(=O)(=O)NC	ZINC000332462216	nonring
CCNC(=O)CN2CCN(S(=O)(=O)c1cc(C(=O)NC)n(C)c1)CC2	ZINC000026813178	O=S(=O)(N1CCNCC1)c2cc[nH]c2
CC[C@@H](NC(=O)NCCN1CCCS1(=O)=O)C(=O)N2CCOCC2	ZINC000530755352	O=C(NCCN1CCCS1(=O)=O)NCC(=O)N2CCOCC2
CS(=O)(=O)N[C@H]2CCN(CCN1CCCS1(=O)=O)C2	ZINC000407947637	O=S1(=O)CCCN1CCN2CCCC2
CNC(=O)C2CCN(S(=O)(=O)c1ccc(OC)c(OC)c1)CC2	ZINC000000208856	O=S(=O)(N1CCCCC1)c2ccccc2
O=C2C[C@@H](Cc1ccccc1)C(=O)N2C[C@@H]3CCCO3	ZINC000000033701	O=C2CC(Cc1ccccc1)C(=O)N2CC3CCCO3
COC(=O)C=C1NC[C@@H](O)CNC1=O	ZINC000000069186	C=C1NCCCNC1=O
NS(=O)(=O)c2ccc(NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)cc2	ZINC000002242506	O=C(NCCc1ccccc1)Nc2ccccc2
Cc3cn2c(nc1n(C)c(=O)[nH]c(=O)c12)[nH]3	ZINC000000039840	O=c3[nH]c(=O)c2c(nc1[nH]ccn12)[nH]3
OC[C@H]2C[C@H](O)[C@@H](n1ccc(=O)[nH]c1=O)C2	ZINC000003653557	O=c2ccn(C1CCCC1)c(=O)[nH]2
CNC(N)=C(C(=O)OC)C(=O)OC	ZINC000000436617	nonring
C[C@@H](O)CN(C)C(=O)C(=O)NCC(C)(C)N1CCOCC1	ZINC000670537118	C1COCCN1
CCN(CC)c2nc1OCCn1c(=O)n2	ZINC000000270498	O=c2ncnc1OCCn12
O[C@H]1CNC[C@H]1CNC(=O)CC(=O)NCC(F)(F)F	ZINC000648133456	C1CCNC1
CCN3[C@H]1[C@H](N(C)C(=O)N1C)N(C[C@@H]2CO2)C3=O	ZINC000000082285	O=C3NC2NC(=O)N(CC1CO1)C2N3
COCCN2CCN(C(=O)CN1CCN(C)CC1)CC2=O	ZINC000120481532	O=C2CN(C(=O)CN1CCNCC1)CCN2
CCOC(=O)N3CCN(C(=O)c2cnc1SCCn1c2=O)CC3	ZINC000000211392	O=C(N1CCNCC1)c3cnc2SCCn2c3=O
C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1	ZINC000643592614	C1CNCCN1
CCS(=O)(=O)NCCS(=O)(=O)N(C)[C@@H](C)CO	ZINC000332431163	nonring
NC3=NC(=O)[C@@H]1[C@@H](N=CN1[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N3	ZINC000095607494	O=C1NC=NC(=O)C2C1N=CN2C3CCCO3
CN(CC(=O)Nc1nn[nH]n1)S(=O)(=O)c2ccc(C#N)cc2	ZINC000342862756	O=C(CNS(=O)(=O)c1ccccc1)Nc2nn[nH]n2
CNS(=O)(=O)c2ccc(C(=O)NCC(=O)N1CCNCC1)cn2	ZINC000583933766	O=C(CNC(=O)c1cccnc1)N2CCNCC2
CCNC(=O)CN2CCN(C(=O)NC[C@@H]1COCCN1C)CC2	ZINC000624741230	O=C(NCC1COCCN1)N2CCNCC2
CN(C)C(=O)CNC(=O)C(=O)NCC(=O)Nc2ccc1OCCOc1c2	ZINC000628024857	C2COc1ccccc1O2
CNc1[nH]c(=O)[nH]c(=O)c1NC=O	ZINC000000967255	O=c1cc[nH]c(=O)[nH]1
O=S3(=O)CC[C@@H](N2[C@@H]1CS(=O)(=O)C[C@@H]1NC2=S)C3	ZINC000004227008	O=S3(=O)CCC(N2C1CS(=O)(=O)CC1NC2=S)C3
CC(=O)N(C(C)=O)c2nc1n(C)c(=O)n(C)c(=O)c1n2C	ZINC000001666456	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
C[C@H]2N(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CN(CCN(C)C)C2=O	ZINC000616479395	O=C2CN(C(=O)C1=CCCCC1)CN2
OCCN(CCO)C(=O)c1ccncc1	ZINC000000056745	c1ccncc1
COCC[N@@](C)CCN2C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2=O	ZINC000556929040	O=C2CC(NC(=O)CN1CC(=O)NC1=O)CN2
O=c2nncc(NCCN1CCNCC1)[nH]2	ZINC000019795428	O=c2nncc(NCCN1CCNCC1)[nH]2
OC[C@@H]2O[C@H](O)[C@@H](\N=C/c1ccccc1O)[C@H](O)[C@@H]2O	ZINC000004692131	C2COCC(N=Cc1ccccc1)C2
NC(=O)[C@@]2(C#N)[C@@H]1[C@](O)(CN(=O)=O)NC(=O)[C@@]12C#N	ZINC000035323510	O=C2NCC1CC12
Cn3cnc(S(=O)(=O)NCc2ccc1OCOc1c2)c3	ZINC000000147779	O=S(=O)(NCc2ccc1OCOc1c2)c3c[nH]cn3
NN=c2c(=O)c1ccccc1c2=O	ZINC000000408476	N=c2c(=O)c1ccccc1c2=O
O=c3[nH]c(=O)c(=C/c2ccc(N1CCOCC1)cc2)\[nH]3	ZINC000000183414	O=c3[nH]c(=O)c(=Cc2ccc(N1CCOCC1)cc2)[nH]3
CS(=O)(=O)c1cc(N)cc(S(C)(=O)=O)c1	ZINC000000154183	c1ccccc1
COC(=O)c2sc(C(=O)OC)c1OCCOc12	ZINC000000036862	C2COc1cscc1O2
CCS(=O)(=O)N[C@@H](C)C(=O)N1CC(NC(C)=O)C1	ZINC000646964002	C1CNC1
COC(CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)OC	ZINC000000543645	c1ccccc1
CN(C)S(=O)(=O)NCC(=O)N1CC(NC(C)=O)C1	ZINC000646964007	C1CNC1
Cc2ccc(S(=O)(=O)NC(=O)NCCN1CCOCC1)cc2	ZINC000002388456	O=C(NCCN1CCOCC1)NS(=O)(=O)c2ccccc2
O=c3[nH]c2ccc(S(=O)(=O)N1CCNCC1)cc2[nH]c3=O	ZINC000012505245	O=c3[nH]c2ccc(S(=O)(=O)N1CCNCC1)cc2[nH]c3=O
COC(=O)[C@@](C)(O)CN1C[C@H](O)[C@@H](O)C1	ZINC000234579840	C1CCNC1
CCN3CCN(c2nc1n(C)c(=O)[nH]c(=O)c1n2CC(C)=C)CC3	ZINC000000551596	O=c3[nH]c(=O)c2[nH]c(N1CCNCC1)nc2[nH]3
CCOC(=O)Cn2c(=O)c1ccccc1c2=O	ZINC000000098387	O=c1[nH]c(=O)c2ccccc12
CCOC(=O)Cn2c1ccccc1n3nc(C)c(=O)nc23	ZINC000000052840	O=c1cnn3c(n1)[nH]c2ccccc23
CCOC(=O)[C@@H](C(=O)c1cccnc1)C(C(=O)OCC)=C(O)c2cccnc2	ZINC000001667329	O=C(CC=Cc1cccnc1)c2cccnc2
C[C@@H](O)CN(N)C1=NS(=O)(=O)c2ccccc12	ZINC000000052844	O=S2(=O)N=Cc1ccccc12
C[C@@H](O)C(=O)N1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1	ZINC000646949427	C1CNCCN1
NS(=O)(=O)CCNC(=O)NC[C@@H]2CN(Cc1ccncc1)CCO2	ZINC000624929722	C2CN(Cc1ccncc1)CCO2
Cc4c(NN=c2c(=O)[nH]c(=O)n(Cc1ccccc1)c2=O)c(=O)n(c3ccccc3)n4C	ZINC000002186680	O=c3[nH]c(=O)c(=NNc2c[nH]n(c1ccccc1)c2=O)c(=O)n3Cc4ccccc4
COc1ccc(N(=O)=O)cc1NCN2C(=O)NC(C)(C)C2=O	ZINC000000093604	O=C1CNC(=O)N1CNc2ccccc2
NC(=O)c2cccc(NC(=O)\C=C\c1cccc(N(=O)=O)c1)c2	ZINC000000038703	O=C(Nc1ccccc1)C=Cc2ccccc2
O=C2CN(C(=O)C(=O)NCCNC(=O)c1cnccn1)CCN2	ZINC000358350066	O=C2CN(C(=O)C(=O)NCCNC(=O)c1cnccn1)CCN2
Cc2cn([C@@H]1C[C@H](N)[C@@H](C(=O)NCC(O)=O)O1)c(=O)[nH]c2=O	ZINC000017223649	O=c2ccn(C1CCCO1)c(=O)[nH]2
O=C(Nn1cnnc1)C(=C/c2ccco2)/C#N	ZINC000000242313	O=C(Nn1cnnc1)C=Cc2ccco2
C3CN(c2ncnc(N1CCOCC1)n2)CCO3	ZINC000000141002	C3CN(c2ncnc(N1CCOCC1)n2)CCO3
Cn2c(N1CCNCC1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000004949930	O=c3[nH]c(=O)c2[nH]c(N1CCNCC1)nc2[nH]3
COc1ccc(OC)c(S(=O)(=O)NCC(O)=O)c1	ZINC000000081700	c1ccccc1
CNC(=O)CN2CCN(C(=O)[C@@H]1CC[C@H](CN)O1)CC2	ZINC000094567791	O=C(C1CCCO1)N2CCNCC2
COC(=O)CCn1cc(F)c(N)nc1=O	ZINC000000089089	O=c1nccc[nH]1
CNC(=O)CN(C)C(=O)[C@@H](N)CCS(C)(=O)=O	ZINC000037271537	nonring
NCCc2ccc(C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)C1)cc2	ZINC000013778014	O=C2CN(C(=O)CNC(=O)c1ccccc1)CCN2
OC(=O)CCCC(=O)N2CCN(c1ccccn1)CC2	ZINC000000152847	C2CN(c1ccccn1)CCN2
CNC(=O)NC(=O)CN(C)CCN1CCNCC1	ZINC000071150541	C1CNCCN1
CN(C)S(=O)(=O)N1CC(NC(=O)CCNC(N)=O)C1	ZINC000629543410	C1CNC1
CS(=O)(=O)N2CCN(CC(=O)N1C[C@H](O)[C@@H](O)C1)CC2	ZINC000628525548	O=C(CN1CCNCC1)N2CCCC2
COC(=O)CSCCC(=O)N1C[C@H](O)[C@@H](O)C1	ZINC000600217208	C1CCNC1
CC(=O)OCn2nnc1ccccc1c2=O	ZINC000000067127	O=c1[nH]nnc2ccccc12
OCC1(CO)CCCC(CO)(CO)C1O	ZINC000001867015	C1CCCCC1
OC(=O)\C=C\C(=O)N2CCCN(c1ncccc1C(F)(F)F)CC2	ZINC000000066538	C2CNCCN(c1ccccn1)C2
Cc1cc(C)c(S(N)(=O)=O)c(Cl)n1	ZINC000000051733	c1ccncc1
COc2cc(OC)cc(C(=O)Nc1c[nH]c(=O)[nH]c1=O)c2	ZINC000000063979	O=C(Nc1c[nH]c(=O)[nH]c1=O)c2ccccc2
CS(=O)(=O)CS(=O)(=O)NCc1ccc(Cl)cc1	ZINC000000111464	c1ccccc1
CN(C)c2nc1N(C)CCn1c(=O)n2	ZINC000000267525	O=c2ncnc1NCCn12
C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(O)=O	ZINC000000168417	c1ccccc1
CN(C)c2cc(C(=O)N1CCN(CC(N)=O)C(=O)C1)ccn2	ZINC000622690844	O=C2CN(C(=O)c1ccncc1)CCN2
Nc2nc(=O)n([C@@H]1CO[C@H](CO)[C@H]1CO)cc2I	ZINC000003784798	O=c1ncccn1C2CCOC2
COC(=O)c2ccn(C(=O)c1ccnn1C)n2	ZINC000000034704	O=C(c1ccn[nH]1)n2cccn2
O=C(CNC(=O)C(=O)N2CCN(c1nccnn1)CC2)N3CCNCC3	ZINC000627402849	O=C(CNC(=O)C(=O)N2CCN(c1nccnn1)CC2)N3CCNCC3
CNC(=O)NC[C@@H]1CN(S(=O)(=O)N(CCOC)CCOC)CCO1	ZINC000625368913	C1COCCN1
CNS(=O)(=O)CC(=O)NC[C@@](C)(NC(=O)CS(=O)(=O)NC)C(C)C	ZINC000435373481	nonring
O=S(=O)(N1CCOCC1)N2CCOCC2	ZINC000000374273	O=S(=O)(N1CCOCC1)N2CCOCC2
CN3CCN(CC2CCN(C(=O)C(=O)N1CCN(C)C(=O)C1)CC2)CC3	ZINC000517750053	O=C3CN(C(=O)C(=O)N2CCC(CN1CCNCC1)CC2)CCN3
COC(=O)[C@H]2O[C@@H](n1cc(F)c(=O)[nH]c1=O)C[C@@H]2O	ZINC000005029780	O=c2ccn(C1CCCO1)c(=O)[nH]2
OCCn1ccc(=O)n(CCO)c1=O	ZINC000000400519	O=c1cc[nH]c(=O)[nH]1
CC(C)[C@H]2CN(C(=O)C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1)CCN2	ZINC000643592429	O=C(N1CCCC1)C(=O)N2CCNCC2
Nc3nc(N)c2nnn([C@@H]1C[C@H](CO)C=C1)c2n3	ZINC000000010553	C3CC(n1nnc2cncnc12)C=C3
CS(=O)(=O)OC[C@@H]1OCO[C@H]1COS(C)(=O)=O	ZINC000001847247	C1COCO1
CN(C)C2(CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2	ZINC000616340414	O=C(NCC1CC1)C2=CCCCC2
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCN1CCOCC1	ZINC000607715533	C1COCCN1
C[C@H](N1CCS(=O)(=O)CC1)C(=O)NCCc2ccc(S(N)(=O)=O)cc2	ZINC000533408755	O=C(CN1CCS(=O)(=O)CC1)NCCc2ccccc2
CCS(=O)(=O)CC(=O)N2CCO[C@@H](CN1CCN(C)CC1)C2	ZINC000370774376	C2COC(CN1CCNCC1)CN2
Cc1cc(N)c(NC[C@@H](O)[C@H](O)[C@H](O)CO)cc1C	ZINC000000395029	c1ccccc1
CN(CCO)S(=O)(=O)c1ccccc1N(=O)=O	ZINC000000198673	c1ccccc1
CCOc3nn(c2cccc(OCc1ccccc1)c2)c(=O)o3	ZINC000000026832	O=c1ocnn1c3cccc(OCc2ccccc2)c3
O=C(N2CCN(S(=O)(=O)N1CCOCC1)CC2)c3ccccc3	ZINC000000614550	O=C(N2CCN(S(=O)(=O)N1CCOCC1)CC2)c3ccccc3
Cc1cc(Cl)ccc1NC(=O)COCC(O)=O	ZINC000000100813	c1ccccc1
Cc2nc1ccccc1c(=O)n2n3cnnc3	ZINC000000192880	O=c2n(n1cnnc1)cnc3ccccc23
Nc1nonc1C(=O)NCc3ccc2OCOc2c3	ZINC000000129137	O=C(NCc2ccc1OCOc1c2)c3cnon3
COc1cc(C(N)=O)c(N(=O)=O)cc1OC	ZINC000000153557	c1ccccc1
CC[N@@](C)C[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1	ZINC000646882283	C1CCNC1
CC[C@@H](C)Nc2nc1n(C)c(=O)[nH]c(=O)c1n2CCC(C)C	ZINC000000079485	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CS(=O)(=O)N(CC(N)=O)c2ccc1OCOc1c2	ZINC000000581094	C2Oc1ccccc1O2
OC(=O)CCC(=O)NC2Cc1ccccc1C2	ZINC000000146589	C2Cc1ccccc1C2
CNC(=O)O/N=C/c1nn(C)cc1Br	ZINC000000077894	c1cn[nH]c1
CCO[C@@H]2CN(C(=O)C(=O)N1C[C@H](O)[C@H](CO)C1)C[C@H]2CN	ZINC000652736617	O=C(N1CCCC1)C(=O)N2CCCC2
OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CN1CCOCC1	ZINC000004404236	C1COCCN1
O=C(CN1CCCCC1)N2CCNC2=O	ZINC000000395791	O=C(CN1CCCCC1)N2CCNC2=O
Cn3c(=O)n(C)c2nc1SCC(=O)n1c2c3=O	ZINC000000223287	O=C2CSc3nc1[nH]c(=O)[nH]c(=O)c1n23
OC(=O)c2ccc(Cn1cnc(N(=O)=O)n1)cc2	ZINC000000522758	C(c1ccccc1)n2cncn2
CCOc2ccc(C(=O)C[C@@H](NCc1cccs1)C(O)=O)cc2	ZINC000000049053	O=C(CCNCc1cccs1)c2ccccc2
CN(C)n1cccc1\C=C(/C#N)S(C)(=O)=O	ZINC000000148750	c1cc[nH]c1
CNC(=O)C(=O)NCCN1CCNCC1	ZINC000019853313	C1CNCCN1
Cn2c(NCC[N@]1CC[C@@H](O)C1)c(C#N)c(=O)n(C)c2=O	ZINC000599176794	O=c2cc(NCCN1CCCC1)[nH]c(=O)[nH]2
Cc2cc(C(=O)N1CCN(CC(N)=O)C(=O)C1)n(C)n2	ZINC000622691111	O=C2CN(C(=O)c1ccn[nH]1)CCN2
CNC(=O)CN2CCN(S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC2	ZINC000530669530	O=c2[nH]cc(S(=O)(=O)N1CCNCC1)c(=O)[nH]2
Cn1[nH]cnc1=NC(=O)NCC[C@@]2(O)CCOC2	ZINC000650096174	O=C(NCCC1CCOC1)N=c2nc[nH][nH]2
CCOC(=O)Cn1cnc2c(N)ncnc12	ZINC000000057061	c2ncc1nc[nH]c1n2
C[C@@H](Oc2ccc(\C=N\n1cnnc1)cc2)C(O)=O	ZINC000000451340	C(=Nn1cnnc1)c2ccccc2
CCOC(=O)c1sc(S(N)(=O)=O)c(C(=O)OCC)c1C	ZINC000000106743	c1ccsc1
OC[C@@H](O)[C@@H](O)[C@H](F)[C@H](O)C=O	ZINC000002555186	nonring
NC(=O)CN3CCN(C(=O)C(=O)N2CCN1C[C@H](O)C[C@H]1C2)CC3=O	ZINC000656089496	O=C3CN(C(=O)C(=O)N2CCN1CCCC1C2)CCN3
O[C@H](CN2CCN1[C@H](CNC(=O)C1=O)C2)CC3(O)CCC3	ZINC000625225544	O=C3NCC2CN(CCCC1CCC1)CCN2C3=O
CN(C)C(=O)NCCn1cnc2n(C)c(=O)n(C)c(=O)c12	ZINC000000054261	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Nc3ncnc4n([C@@H]2O[C@@H](CO)[C@@H]1O[C@@H]12)c(=O)[nH]c34	ZINC000005389846	O=c2[nH]c1cncnc1n2C4OCC3OC34
Oc1cccnc1CNC(=O)CN2CCNCC2=O	ZINC000583933483	O=C(CN1CCNCC1=O)NCc2ccccn2
CC(CO)(CO)NC(=S)Nc1ccc(F)cc1	ZINC000000072914	c1ccccc1
CC2(C)C[C@@H](S(=O)(=O)NCCc1nc(=O)o[nH]1)CO2	ZINC000625162515	O=c2nc(CCNS(=O)(=O)C1CCOC1)[nH]o2
Nc2ncnc3n([C@H]1OC[C@@H](O)[C@H]1O)cnc23	ZINC000001574901	C3COC(n1cnc2cncnc12)C3
Nc1nc(=O)n(C[C@@H](O)CO)cc1F	ZINC000000488340	O=c1nccc[nH]1
Nc2ncnc3n([C@H]1C=C(CO)[C@H](O)[C@@H]1O)cnc23	ZINC000000001793	C3CC(n1cnc2cncnc12)C=C3
CN(CCN)C(=O)C(=O)N2CCN1C[C@H](O)C[C@H]1C2	ZINC000656105200	C2CC1CNCCN1C2
CN2CCN(CC(=O)N1CCOC[C@@H]1C(N)=O)CC2=O	ZINC000444285635	O=C2CN(CC(=O)N1CCOCC1)CCN2
CS(=O)(=O)NC1CN(C(=O)CSCC(N)=O)C1	ZINC000600326577	C1CNC1
CS(=O)(=O)N1CCc2cc(N)ccc12	ZINC000000154325	C2Cc1ccccc1N2
CNC[C@@H]1C[C@H](F)CN1C(=O)CS(=O)(=O)NC	ZINC000648131995	C1CCNC1
Cn3c(=O)n(C)c2ncn(CCCC(=N)N1CCOCC1)c2c3=O	ZINC000000054274	N=C(CCCn1cnc2[nH]c(=O)[nH]c(=O)c12)N3CCOCC3
CN(C)C(=O)NCCN(C)C(=O)C(=O)NCCNC(=O)c1cnccn1	ZINC000557277349	c1cnccn1
CN(C(=O)CSc1nnn(C)n1)c2ccccc2	ZINC000000114698	O=C(CSc1nn[nH]n1)Nc2ccccc2
OCCN3CCN(C(=O)[C@@H]2[C@H]1CNC[C@H]12)CC3	ZINC000648136167	O=C(C2C1CNCC12)N3CCNCC3
COC(=O)[C@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc3c(OC)cccc23	ZINC000000117177	S=C1NC3CC(N1)c2ccccc2O3
COc1ccc(C(O)=O)cc1S(=O)(=O)N2CCCC2	ZINC000000227709	O=S(=O)(N1CCCC1)c2ccccc2
CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c2ccccn2	ZINC000000036494	N2C=CC(c1ccccn1)C=C2
NNC(=S)NC[C@@H]1CCCO1	ZINC000000269668	C1CCOC1
OCn2c(=O)c1ccc(Br)cc1c2=O	ZINC000000076115	O=c1[nH]c(=O)c2ccccc12
C[C@H]1N(CCNS(C)(=O)=O)CCNC1=O	ZINC000407947986	O=C1CNCCN1
NCC(=O)NCC(=O)N[C@@H]1CCCCNC1=O	ZINC000037627941	O=C1CCCCCN1
CN2CCN(CC(=O)N1CCN(S(N)(=O)=O)CC1)CC2=O	ZINC000408225994	O=C2CN(CC(=O)N1CCNCC1)CCN2
CCNS(=O)(=O)[C@@H]2CCN(C(=O)C(=O)N1CCNC(=O)[C@@H]1C)C2	ZINC000410454289	O=C2CN(C(=O)C(=O)N1CCCC1)CCN2
COC(=O)[C@@H](CO)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O	ZINC000035176847	O=c1cc[nH]c(=O)[nH]1
Cc2cc(Oc1ccc(=O)n(C)n1)nc(SCC(N)=O)n2	ZINC000000532310	O=c2ccc(Oc1ccncn1)n[nH]2
COC(=O)CNS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000001070734	O=c1cc[nH]c(=O)[nH]1
CN(C)[C@@H]3[C@H]2CN(C(=O)Cn1cnc(C(N)=O)n1)C[C@H]23	ZINC000627656518	O=C(Cn1cncn1)N3CC2CC2C3
COc2nc1nc(N)nc(N)c1nc2C	ZINC000000339474	c2cnc1ncncc1n2
COC(=O)C1=C(C)N(NC(N)=O)[C@@](C)(O)[C@]12CCOC2=O	ZINC000001620908	O=C1OCCC12CNC=C2
CN(CC(N)=O)S(=O)(=O)CCCS(=O)(=O)N1CCn2nccc12	ZINC000516785838	C2Cn1nccc1N2
CN(C)C(=O)CNC(=O)C(=O)N(C)[C@@H]1COC[C@@H]1O	ZINC000356926981	C1CCOC1
CNc1cc(=O)n(C)c(=O)n1CC=C	ZINC000000202758	O=c1cc[nH]c(=O)[nH]1
CC(=O)Nc2ccc(S(=O)(=O)NCc1ccccc1)cc2	ZINC000000028411	O=S(=O)(NCc1ccccc1)c2ccccc2
CCNS(=O)(=O)c2ccc(C)c(n1cnnn1)c2C	ZINC000000034393	c2ccc(n1cnnn1)cc2
NC(=O)c1c(N)ncn1[C@@H]2CO[C@@H](CO)[C@@H]2O	ZINC000004963361	C2CC(n1ccnc1)CO2
OC(=O)C[C@H]2N(Cc1ccccc1)C(=O)NC2=O	ZINC000001004756	O=C2CN(Cc1ccccc1)C(=O)N2
CNC(=O)C(C)(C)NC(=O)NCc1noc(C(N)=O)n1	ZINC000584903213	c1ncon1
CC(=O)N1C2C(NC1=O)NC(=O)N2C(C)=O	ZINC000000077240	O=C2NC1NC(=O)NC1N2
CCNC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2	ZINC000000052041	O=C(OCc1ccccc1)N2CCCC2
Cc1ncc(S(=O)(=O)C(C)(C)C)c(N)n1	ZINC000000096247	c1cncnc1
COC(=O)CCC(=O)c2ccn(S(=O)(=O)c1ccccc1)c2	ZINC000000084585	O=S(=O)(c1ccccc1)n2cccc2
CC(=O)c2cccc(NC(=O)CSc1nncn1C)c2	ZINC000000063760	O=C(CSc1nnc[nH]1)Nc2ccccc2
Cn1c(C(=O)NCC(N)=O)cc2c(=O)n(C)c(=O)n(C)c12	ZINC000518287188	O=c2[nH]c(=O)c1cc[nH]c1[nH]2
CCOC(=O)c2cnc1c(Br)c(=O)[nH]n1c2C	ZINC000000027943	O=c2cc1ncccn1[nH]2
CCC[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CCN=c2c1n[nH]n2C	ZINC000616310654	C2CN=c1[nH][nH]nc1C2
CN2CCN(S(=O)(=O)c1cc(C(N)=O)n(C)c1)[C@@H](CN)C2	ZINC000124356432	O=S(=O)(N1CCNCC1)c2cc[nH]c2
CSCC[C@@H](O)C(=O)N1C[C@H](O)[C@@H](O)C1	ZINC000600216819	C1CCNC1
CN(C)N2C(=O)C[C@@H](NNc1ccccc1)C2=O	ZINC000000289719	O=C2CC(NNc1ccccc1)C(=O)N2
CN3C(=O)C[C@H](NCc2ccc1OCOc1c2)C3=O	ZINC000000049269	O=C3CC(NCc2ccc1OCOc1c2)C(=O)N3
CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)C(=O)N(C)C)C1	ZINC000533391553	C1CCNC1
CCOC(=O)CCn1cnc2n(C)c(=O)n(C)c(=O)c12	ZINC000000116821	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CCOC(=O)CCn2[nH]c(=O)c1ccccc1c2=O	ZINC000000116826	O=c1[nH][nH]c(=O)c2ccccc12
CC[N@@](CCO)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1	ZINC000594622628	c1ccccc1
COc2cc(Nc1ncnc(N)n1)cc(OC)c2	ZINC000000089529	N(c1ccccc1)c2ncncn2
COC(=O)c1cc(OCC(F)(F)F)nc(OCC(F)(F)F)c1	ZINC000000078043	c1ccncc1
COc1cccnc1CC(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622691431	O=C2CN(C(=O)Cc1ccccn1)CCN2
CN(C)C(=O)N2CCN(C(=O)C(=O)N1CCNCC1)CC2	ZINC000401598687	O=C(N1CCNCC1)C(=O)N2CCNCC2
O[C@H]1CO[C@@H]2[C@H](ON(=O)=O)CO[C@H]12	ZINC000001849548	C2CC1OCCC1O2
Cc2cc(=O)n(n1c(C)n[nH]c1=O)c2=O	ZINC000001647719	O=c1ccc(=O)n1n2cn[nH]c2=O
NS(=O)(=O)N2CCN(CCN1C(=O)CNC1=O)CC2	ZINC000407947346	O=C1CNC(=O)N1CCN2CCNCC2
CNC(=S)N/N=C\Cn1ccc(=O)n(C/C=N\NC(=S)NC)c1=O	ZINC000004921529	O=c1cc[nH]c(=O)[nH]1
CS(=O)(=O)NCCN1CCC[C@@H](S(C)(=O)=O)C1	ZINC000407947619	C1CCNCC1
NS(=O)(=O)c3ccc2N(CC(=O)N1CCNC(=O)C1)CCc2c3	ZINC000011239604	O=C3CN(C(=O)CN1CCc2ccccc12)CCN3
Cn2c(Nc1ccccc1)cc(=O)n(C)c2=O	ZINC000000135087	O=c2cc(Nc1ccccc1)[nH]c(=O)[nH]2
CN(CC(O)=O)C(=O)CNC(=O)CN	ZINC000001576193	nonring
O=C(NCc1ccccc1)c2n[nH]cc2N(=O)=O	ZINC000000053794	O=C(NCc1ccccc1)c2cc[nH]n2
Cc3cc(N2CC[C@H](NC(=O)C1(O)CNC1)C2=O)n(C)n3	ZINC000662795252	O=C(NC2CCN(c1ccn[nH]1)C2=O)C3CNC3
CS(=O)(=O)NC2CN(C(=O)CN1CC(=O)NC1=O)C2	ZINC000628799857	O=C2CN(CC(=O)N1CCC1)C(=O)N2
OCC(CO)CC(CO)CO	ZINC000000332917	nonring
NC(NCCN1CCN(NC=NN(=O)=O)CC1)=NN(=O)=O	ZINC000020160714	C1CNCCN1
CO[C@H]1[C@@H](O)[C@H](CO)O[C@@H]1n2cc(C)c(N)nc2=O	ZINC000002541295	O=c1ncccn1C2CCCO2
OC(=O)CSC[C@@H]2NC(=S)N(c1ccccc1)C2=O	ZINC000000057470	O=C1CNC(=S)N1c2ccccc2
CNC(=O)[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C(C)C	ZINC000332493273	nonring
C[C@@H]1CNCCN1C(=O)C(=O)N2CCN(CCO)C(C)(C)C2	ZINC000643574464	O=C(N1CCNCC1)C(=O)N2CCNCC2
OC[C@@H](O)[C@@H](O)[C@@H](O)C=NN=c2[nH]c(=O)c(=Cc1ccccc1)[nH]2	ZINC000005832161	N=c2[nH]c(=O)c(=Cc1ccccc1)[nH]2
O=C(NCCN1CCNC1=O)Nc2ccccc2	ZINC000000005006	O=C(NCCN1CCNC1=O)Nc2ccccc2
OC2(O)C(=O)c1ccccc1C(=O)C2(O)O	ZINC000000481038	O=C1CCC(=O)c2ccccc12
CNS(=O)(=O)c2cc(C(=O)N1CCN(CC(N)=O)CC1)ccc2OC	ZINC000047628818	O=C(N1CCNCC1)c2ccccc2
CCN(CC)CCn1c(=O)n(C)c(=O)c2nc[nH]c12	ZINC000000485868	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
OC[C@@H]2O[C@@H](c1cc(=O)[nH]c1=O)[C@@H](O)[C@@H]2O	ZINC000004933575	O=c2cc(C1CCCO1)c(=O)[nH]2
CSCC[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O	ZINC000600265454	O=C1NCCN1
CNc2nc(Cl)nc(Oc1ccc(=O)n(C)n1)n2	ZINC000000104879	O=c2ccc(Oc1ncncn1)n[nH]2
CN(C)CCNc2nc1n(C)c(=O)[nH]c(=O)c1n2CC(C)=C	ZINC000000079575	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
NC(=O)C(C[C@@H]1COCCO1)C(N)=O	ZINC000000506678	C1COCCO1
CC(C)C(=O)NCCNS(=O)(=O)[C@@H](C)C(=O)N(C)C	ZINC000332509849	nonring
Nc2ncnc3n(CC(=O)N1CCNCC1)cnc23	ZINC000043461228	O=C(Cn1cnc2cncnc12)N3CCNCC3
Nc2ccc1c(=O)n(CCO)c(=O)c1c2	ZINC000000187326	O=c1[nH]c(=O)c2ccccc12
OCCn2c(=O)c1cccc(N(=O)=O)c1c2=O	ZINC000000187328	O=c1[nH]c(=O)c2ccccc12
CNC[C@@H](O)CN1CCS(=O)(=O)CC1	ZINC000036161323	O=S1(=O)CCNCC1
COC(=O)COCCNC(=O)CN1CCN(S(C)(=O)=O)CC1	ZINC000600394895	C1CNCCN1
C[N@@](CCCO)CC(=O)N2CCN(CC(=O)N1CCOCC1)CC2	ZINC000440936911	O=C(CN1CCNCC1)N2CCOCC2
O=C(CON=c1ncnc2[nH]onc12)N3CCOCC3	ZINC000000036808	O=C(CON=c1ncnc2[nH]onc12)N3CCOCC3
Cc3ccc(C)c(NC(=O)CON=c1ncnc2[nH]onc12)c3	ZINC000000036807	O=C(CON=c1ncnc2[nH]onc12)Nc3ccccc3
CCS(=O)(=O)NCCS(=O)(=O)NC[C@]1(O)CC[N@@](C)C1	ZINC000358201048	C1CCNC1
COCCNC(=O)Cn2cc(NC(=O)CN1CCCNC1=O)cn2	ZINC000607700933	O=C(CN1CCCNC1=O)Nc2cn[nH]c2
O=C(CSc1nnc2[nH]cnn12)Nc3ccccn3	ZINC000000051149	O=C(CSc1nnc2[nH]cnn12)Nc3ccccn3
O=C(CNC(=O)OCc1ccccc1)ON2C(=O)CCC2=O	ZINC000000171261	O=C(CNC(=O)OCc1ccccc1)ON2C(=O)CCC2=O
CSc2nnc3n(/N=C/c1ccco1)cnn23	ZINC000000051145	C(=Nn1cnn2cnnc12)c3ccco3
Nc1cc(C(=O)NC[C@@H](O)CO)cc(C(=O)NC[C@@H](O)CO)c1	ZINC000003882547	c1ccccc1
CNC(=O)[C@H]1CN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CCO1	ZINC000447766905	C1COCCN1
NC[C@H]2O[C@@H](n1ccc(=O)[nH]c1=O)C[C@H]2O	ZINC000027717939	O=c2ccn(C1CCCO1)c(=O)[nH]2
CC(=O)N1CN(C(C)=O)[C@@H](NN(=O)=O)[C@@H]1NN(=O)=O	ZINC000003173080	C1CNCN1
Cc3ccc(c2nnn(CC(=O)N1CCOCC1)n2)o3	ZINC000000417249	O=C(Cn2nnc(c1ccco1)n2)N3CCOCC3
COc3c1OCOc1cc2CCN(C)[C@H](O)c23	ZINC000000000186	C3Cc2cc1OCOc1cc2CN3
CNS(=O)(=O)[C@@H]2CCCN(CCNS(=O)(=O)c1cnn(C)c1)C2	ZINC000363348635	O=S(=O)(NCCN1CCCCC1)c2cn[nH]c2
Nc1cc(=O)[nH]c(=O)n1Cc2ccco2	ZINC000000359477	O=c2ccn(Cc1ccco1)c(=O)[nH]2
Cn1cc(I)c(C(N)=O)n1	ZINC000000196524	c1cn[nH]c1
CCOC(=O)Cc2nn1c(=O)cc(C)nc1s2	ZINC000000266549	O=c1ccnc2scnn12
CCN2[C@H]1NC(=O)N(C)[C@@H]1N(CC)C2=O	ZINC000000339860	O=C2NC1NC(=O)NC1N2
COC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C	ZINC000000029668	c1ccccc1
COC(=O)CN(C)S(=O)(=O)c1ccc(N(=O)=O)cc1	ZINC000000059363	c1ccccc1
CS(=O)(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000001685271	O=c1cc[nH]c(=O)[nH]1
CN1CCC2(CC1)OC(=O)N(CC(N)=O)C2=O	ZINC000000011060	O=C2NC(=O)C1(CCNCC1)O2
CCOc2nc1ccccc1c(=O)n2CCO	ZINC000000040701	O=c1[nH]cnc2ccccc12
Nc1nonc1n2nnc(C(O)=O)c2CN3CCCCCC3	ZINC000000093977	C3CCCN(Cc1cnnn1c2cnon2)CC3
Cc2nc1ccccc1c(=O)n2C[C@H](O)CO	ZINC000000000234	O=c1[nH]cnc2ccccc12
O=c1[nH]c(=O)n(CCC#N)c(=O)n1CCC#N	ZINC000002227645	O=c1[nH]c(=O)[nH]c(=O)[nH]1
O=C(NCCN1CCSCC1)C(=O)NC2CNC2	ZINC000642924137	O=C(NCCN1CCSCC1)C(=O)NC2CNC2
Nc1[nH]c(=O)nc2n(CCO)ncc12	ZINC000003852436	O=c2nc1[nH]ncc1c[nH]2
COc1ccc(Cl)cc1C(=O)Nn2cnnc2	ZINC000000030407	O=C(Nn1cnnc1)c2ccccc2
COC(=O)COCC(=O)N2CCN(c1nccnn1)CC2	ZINC000600191170	C2CN(c1nccnn1)CCN2
O=C(N/C(=C/c1cccs1)C(=O)N2CCOCC2)c3ccccc3	ZINC000000044397	O=C(NC(=Cc1cccs1)C(=O)N2CCOCC2)c3ccccc3
COc1ccc(S(=O)(=O)N(C)CC(O)=O)cc1C(N)=O	ZINC000037419996	c1ccccc1
CNS(=O)(=O)CC(=O)NC1CN(S(=O)(=O)N(C)C)C1	ZINC000629539762	C1CNC1
CNS(=O)(=O)CCCNC(=O)CNS(=O)(=O)NC	ZINC000629339374	nonring
O=S(=O)(N2CCN(c1ncccn1)CC2)c3ccc(C#N)cc3	ZINC000000135867	O=S(=O)(N2CCN(c1ncccn1)CC2)c3ccccc3
O=c3[nH]cc(NN=c2c(=O)c1ccccc1c2=O)c(=O)[nH]3	ZINC000000310935	O=c3[nH]cc(NN=c2c(=O)c1ccccc1c2=O)c(=O)[nH]3
Cc3cc2c(Cc1ccco1)n[nH]c(=O)c2c(=O)[nH]3	ZINC000000053823	O=c2[nH]ccc3c(Cc1ccco1)n[nH]c(=O)c23
CN(C)C(=O)CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1	ZINC000646960816	C1CCNCC1
COc1ccc(NS(=O)(=O)N(C)C)cn1	ZINC000000117969	c1ccncc1
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC(C)(C)C	ZINC000000423265	O=c1cc[nH]c(=O)[nH]1
COc2cc(\C=N\n1cnnc1)cc(Cl)c2O	ZINC000000034093	C(=Nn1cnnc1)c2ccccc2
CC[N@]2CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)C2	ZINC000670537490	O=C(NCCN1CCOCC1)C(=O)NCC2CNCCO2
C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N(C)C	ZINC000045745287	O=c1cc[nH]c(=O)[nH]1
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@](CCO)C1	ZINC000205680305	C1CNCCNC1
COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c2cnn(C)c2C	ZINC000312424862	O=S(=O)(N1CCCC1)c2cn[nH]c2
Cc3csc(NC(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12)n3	ZINC000000081185	O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c12)Nc3nccs3
CCN1CNS(=O)(=O)c2ncccc12	ZINC000000006174	O=S2(=O)NCNc1cccnc12
Nc1ccccc1NC2=C(N(=O)=O)CS(=O)(=O)C2	ZINC000000298150	O=S2(=O)CC=C(Nc1ccccc1)C2
Cn3c(=O)c(Br)cn([C@@H]2O[C@@H](CO)[C@@H]1O[C@@H]12)c3=O	ZINC000001612661	O=c3ccn(C2OCC1OC12)c(=O)[nH]3
COc1ccc(CNC(=S)NN)cc1	ZINC000000104599	c1ccccc1
COc2ccc(NC(=O)CSc1nnc(C)s1)cc2	ZINC000000031572	O=C(CSc1nncs1)Nc2ccccc2
NC(=O)CN2CCN(C(=O)c1cncs1)CC2=O	ZINC000622690642	O=C2CN(C(=O)c1cncs1)CCN2
COc1ccc(S(=O)(=O)NCC(=O)NCC(O)=O)cc1C	ZINC000035233306	c1ccccc1
O=c3n2[C@H]1C[C@H](C=C1)n2c(=O)n3c4ccccc4	ZINC000000084934	O=c3n2C1CC(C=C1)n2c(=O)n3c4ccccc4
OC3CCN([C@H]2CC(=O)N(c1ccccc1)C2=O)CC3	ZINC000000100609	O=C2CC(N1CCCCC1)C(=O)N2c3ccccc3
O[C@@]14C[C@@H]([C@H]2CO[C@@H]1O2)n3nnnc3N4	ZINC000001443997	C1OC2OC1C3CC2Nc4nnnn34
Cn3c(=O)n(C)c2nc(N1CCCCC1)ncc2c3=O	ZINC000000519696	O=c3[nH]c(=O)c2cnc(N1CCCCC1)nc2[nH]3
COC(=O)N2CC(NC(=O)C(=O)N(C)[C@H]1CNC[C@@H]1O)C2	ZINC000496272748	O=C(NC1CCNC1)C(=O)NC2CNC2
CNC(=O)C1=C(C)NC(=S)N[C@@H]1c2cccc(OC)c2OC	ZINC000000083239	S=C2NC=CC(c1ccccc1)N2
Cc2cn(CNC(=O)c1ccccc1)c(=O)[nH]c2=O	ZINC000000363279	O=C(NCn1ccc(=O)[nH]c1=O)c2ccccc2
CN(C)C(=O)CNC(=O)C(=O)N2CCN(C(=O)CN1CCOCC1)CC2	ZINC000275464809	O=C(CN1CCOCC1)N2CCNCC2
Cc3cc(NC(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12)no3	ZINC000000285370	O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c12)Nc3ccon3
Cc2cc(C)nc(N(CC(=O)N1CCC(C(N)=O)CC1)C#N)n2	ZINC000000534153	O=C(CNc1ncccn1)N2CCCCC2
CN2C(=O)CN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2=O	ZINC000559272797	O=C2CN(C(=O)Cn1ccc(=O)[nH]c1=O)CC(=O)N2
CN(C)c1nc(N)n(CCO)c(=O)n1	ZINC000000494371	O=c1ncnc[nH]1
CS(=O)(=O)N2CCN(S(=O)(=O)NC[C@@H]1CCCN1)CC2	ZINC000569867334	O=S(=O)(NCC1CCCN1)N2CCNCC2
C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1	ZINC000558434147	C1CCNC1
CC(=O)Nn2cc1n(C)c(=O)n(C)c(=O)c1c2	ZINC000000189009	O=c2[nH]c(=O)c1c[nH]cc1[nH]2
CS(=O)(=O)NC(NCCOS(C)(=O)=O)=NN(=O)=O	ZINC000016981867	nonring
NC(=S)CS(=O)(=O)Cc1ccco1	ZINC000000125374	c1ccoc1
CN2CCO[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)C2	ZINC000624919245	O=C(CN1CC(=O)NC1=O)NCC2CNCCO2
CCN2CCN(CC(=O)N1CCN(CCO)CC1)C(=O)C2=O	ZINC000328834785	O=C(CN1CCNC(=O)C1=O)N2CCNCC2
C[C@@H]2CCN(S(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C[C@@H]2CO	ZINC000621308010	O=S(=O)(N1CCCCC1)N2CCNCC2
Clc3nc(NCc1cccnc1)nc(N2CCOCC2)n3	ZINC000000051313	C3CN(c2ncnc(NCc1cccnc1)n2)CCO3
COCCNC(=O)CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F	ZINC000569997014	nonring
CS(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1	ZINC000000457835	c1ccccc1
CNS(=O)(=O)[C@@H]2CCN(C(=O)NCCN1C(=O)CCC1=O)C2	ZINC000533537163	O=C1CCC(=O)N1CCNC(=O)N2CCCC2
Cn2c(=O)[nH]c(=O)c3nc(Cc1ccccc1)[nH]c23	ZINC000000204151	O=c3[nH]c(=O)c2nc(Cc1ccccc1)[nH]c2[nH]3
Fc3ccc2OCC[C@]1(NC(=O)NC1=O)c2c3	ZINC000000002070	O=C3NC(=O)C2(CCOc1ccccc12)N3
CSCC[C@H](NC(=O)N1CCOCC1)C(O)=O	ZINC000002416508	C1COCCN1
O=N(=O)c3ccc(Cn2cnc1[nH]cnc1c2=O)cc3	ZINC000000052561	O=c2n(Cc1ccccc1)cnc3[nH]cnc23
ONC(=O)CNC(=O)c1ccc(Cl)cc1	ZINC000000001008	c1ccccc1
CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O	ZINC000225155891	C1CCNC1
COC(=O)[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO	ZINC000002387190	C1COCO1
COCc1cc(=O)oc2cc(NS(C)(=O)=O)ccc12	ZINC000000089848	O=c2ccc1ccccc1o2
CC2=C(C(N)=O)[C@@H](c1cccc(O)c1)NC(=S)N2	ZINC000000071773	S=C2NC=CC(c1ccccc1)N2
OC(=O)c2cccc(S(=O)(=O)NC[C@@H]1CCCO1)c2	ZINC000000620779	O=S(=O)(NCC1CCCO1)c2ccccc2
COc1cc(\C=N\NS(C)(=O)=O)ccc1O	ZINC000000280638	c1ccccc1
Nn3c(=O)[nH]c2c1cc(F)ccc1[nH]c2c3=O	ZINC000000184916	O=c3[nH]c(=O)c2[nH]c1ccccc1c2[nH]3
NC(=O)COc2ccc(\C=c1\[nH]c(=O)[nH]c1=O)cc2	ZINC000000072970	O=c2[nH]c(=O)c(=Cc1ccccc1)[nH]2
CC(C)NS(=O)(=O)c1ccc(OCC(N)=O)cc1	ZINC000000469715	c1ccccc1
COc1ccccc1C(=O)ON2C(=O)CCC2=O	ZINC000000114879	O=C1CCC(=O)N1OC(=O)c2ccccc2
NCCNC(=O)C(=O)N1CCC(CO)CC1	ZINC000037243977	C1CCNCC1
OC(=O)CN2CCN(CC(=O)NCc1ccccc1)CC2	ZINC000035126753	O=C(CN1CCNCC1)NCc2ccccc2
NC(=O)CCSC(=S)N1CCOCC1	ZINC000000381375	C1COCCN1
CCO[C@@]1(C)NC(=O)NC(=O)[C@@H]1Br	ZINC000000039605	O=C1CCNC(=O)N1
CNC(=O)CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1	ZINC000589249522	C1CNCCN1
CO[C@@]1(COS(N)(=O)=O)O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000028002027	C1CCOC1
CSCC[C@H](NC(=O)[C@@H]1C[N@@]2CCCN1CC2)C(N)=O	ZINC000600258249	C1CN2CCN(C1)CC2
CS(=O)(=O)N2CCN(S(=O)(=O)NCC1(N)CCC1)CC2	ZINC000564739777	O=S(=O)(NCC1CCC1)N2CCNCC2
O=C1NCCNC1=CC(=O)c2ccccc2	ZINC000000054247	O=C1NCCNC1=CC(=O)c2ccccc2
COc1cc(C=O)ccc1OCC(N)=O	ZINC000000054241	c1ccccc1
Cc3ccc(Cn1c(NN)nc2n(C)c(=O)n(C)c(=O)c12)cc3	ZINC000000351092	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
CC(=O)C2=C(O)C(=O)N(CCN1CCOCC1)[C@@H]2c3ccc(C)cc3	ZINC000000034870	O=C2C=CC(c1ccccc1)N2CCN3CCOCC3
COCCNC(=O)C2(NC(=O)Cn1ccc(=O)n(C)c1=O)CC2	ZINC000622697765	O=C(Cn1ccc(=O)[nH]c1=O)NC2CC2
O=C(CSc1nnnn1c2ccccc2)N3CCNC3=O	ZINC000000117193	O=C(CSc1nnnn1c2ccccc2)N3CCNC3=O
CNC(=S)N(C)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000003148516	C1CCOCC1
COC(=O)[C@H](C)NC(=O)CC1(CC(O)=O)CCCC1	ZINC000001498882	C1CCCC1
CN2C(=O)CN(CC(=O)NCCC(=O)Nc1ccncc1)C2=O	ZINC000624991883	O=C(CN1CC(=O)NC1=O)NCCC(=O)Nc2ccncc2
C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)S(N)(=O)=O	ZINC000541031520	C1CCC1
NS(=O)(=O)N2CCN(C[C@@H](O)CN1CCOCC1)CC2	ZINC000336824002	C(CN1CCNCC1)CN2CCOCC2
CCOC(=O)Cn2nnc(c1cccc(N(=O)=O)c1)n2	ZINC000000090102	c2ccc(c1nn[nH]n1)cc2
CC(C)C(=O)N[C@@H](CO)C(=O)N2CCN(C(=O)Cn1cnnn1)CC2	ZINC000557491809	O=C(Cn1cnnn1)N2CCNCC2
COC(=O)CSC1=NS(=O)(=O)c2ccccc12	ZINC000000050541	O=S2(=O)N=Cc1ccccc12
NC(=S)Nc1ccc(NC(N)=S)cc1	ZINC000000050891	c1ccccc1
Cn2nnc(NC(=S)NC(=O)C=Cc1ccco1)n2	ZINC000000529764	O=C(NC(=S)Nc1nn[nH]n1)C=Cc2ccco2
C[C@@H](NC(=O)[C@H](N)C[C@H](O)C(O)=O)[C@@H](O)[C@@]12C[C@@H]1CC=CC2=O	ZINC000067911843	O=C2C=CCC1CC12
OC[C@H]2O[C@@H](N[C@H]1CCNC(=O)N1)[C@@H](O)[C@@H]2O	ZINC000504727540	O=C2NCCC(NC1CCCO1)N2
CS(=O)(=O)CC[C@@H](N)C(=O)N(CC(N)=O)CC(N)=O	ZINC000061808763	nonring
C[N@]2CC[C@@](O)(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C2	ZINC000546567869	O=S(=O)(NCC1CCNC1)N2CCNCC2
COC[C@@H](C)S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(O)=O	ZINC000517075301	C1COCCN1
COc1ccccc1NS(=O)(=O)c2[nH]c(=O)[nH]c(=O)c2C	ZINC000000313211	O=c2cc(S(=O)(=O)Nc1ccccc1)[nH]c(=O)[nH]2
NS(=O)(=O)N2CCN(S(=O)(=O)N1CCO[C@H](C#N)C1)CC2	ZINC000337094060	O=S(=O)(N1CCNCC1)N2CCOCC2
Cc2ccc(\C=c1\c(=O)[nH]c(=O)n(CC=C)c1=O)o2	ZINC000000084745	O=c2[nH]c(=O)c(=Cc1ccco1)c(=O)[nH]2
COC(CN(C)S(=O)(=O)c2ccc1[nH]cc(C=O)c1c2)OC	ZINC000000263703	c2ccc1[nH]ccc1c2
CNC(=O)CN2CCN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2	ZINC000646668288	O=C(N1CCNCC1)C2=CCCCC2
Cn2cc(C#N)c(=O)n(CC(=O)N1CCNC1=O)c2=O	ZINC000342792427	O=C(Cn1c(=O)cc[nH]c1=O)N2CCNC2=O
CNS(=O)(=O)NCC(=O)N(C)[C@@H](C)C(=O)OC(C)C	ZINC000332511024	nonring
Cn1nnnc1NC(=O)c2ccccc2F	ZINC000000052368	O=C(Nc1nnn[nH]1)c2ccccc2
O=S(=O)(NCCc1ccccn1)c3ccc2OCCCOc2c3	ZINC000000131515	O=S(=O)(NCCc1ccccn1)c3ccc2OCCCOc2c3
CCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)O)CC1)S(N)(=O)=O	ZINC000646949675	C1CNCCN1
CNC1=C(Cl)C(=O)O[C@@H]1C(C(N)=O)C(N)=O	ZINC000005248252	O=C1OCC=C1
CN(C)CCN(C)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1	ZINC000625383925	C1COCCN1
CCO[C@@H]1OCCn2c1c(Br)c(=O)n(C)c2=O	ZINC000000385715	O=c2cc1COCCn1c(=O)[nH]2
CN(c2ccc(C(=O)N1CCC(C(N)=O)CC1)cc2)S(C)(=O)=O	ZINC000000479501	O=C(N1CCCCC1)c2ccccc2
CCCn2nc(Oc1nc(N(C)C)nc(N(C)C)n1)ccc2=O	ZINC000000032927	O=c2ccc(Oc1ncncn1)n[nH]2
OCCN1CCN(C[C@H](O)COCC#C)CC1	ZINC000022805072	C1CNCCN1
COc2ccc(C(=O)N1CCN(CC(N)=O)C(=O)C1)cc2n3cnnn3	ZINC000622691239	O=C3CN(C(=O)c2cccc(n1cnnn1)c2)CCN3
CC3(OCC(=O)N2CCN(C(=O)CN1C(=O)CCC1=O)CC2)CNC3	ZINC000648150738	O=C1CCC(=O)N1CC(=O)N3CCN(C(=O)COC2CNC2)CC3
CNc2nc1c(=O)[nH]c(=O)n(C)c1[nH]2	ZINC000000039595	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CN2C(=O)CC[C@@H](NC(=O)N1CCN(CC(N)=O)C(=O)C1)C2=O	ZINC000425838451	O=C2CN(C(=O)NC1CCC(=O)NC1=O)CCN2
CN(CC(=O)N1CCNCC1)CC(=O)N2CCC[C@@H](C(N)=O)C2	ZINC000261619535	O=C(CNCC(=O)N1CCNCC1)N2CCCCC2
CNS(=O)(=O)CC(=O)N[C@@H](C)CC(=O)OC	ZINC000332460957	nonring
NS(=O)(=O)CCN2CCN(C(=O)CNC(=O)c1ccc(O)cc1)CC2	ZINC000530642695	O=C(CNC(=O)c1ccccc1)N2CCNCC2
OC(=O)[C@@H](Cc1ccccc1)n2c(=O)ccc2=O	ZINC000001559110	O=c1ccc(=O)n1CCc2ccccc2
N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O	ZINC000005131863	C1CCOCC1
CCN(CCCNC(=O)N[C@@]1(C(O)=O)CCSC1)S(C)(=O)=O	ZINC000584031005	C1CCSC1
CN(C)S(=O)(=O)Nc1cccc(N(=O)=O)c1	ZINC000000124766	c1ccccc1
C[C@@H]2CN(C(=O)C(=O)NCCC[N@]1CCC[C@@H](C(N)=O)C1)CC(=O)N2C	ZINC000557253965	O=C2CN(C(=O)C(=O)NCCCN1CCCCC1)CCN2
O=C2CC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)CN2	ZINC000070161359	O=C2CCC(NC(=O)Cn1ccc(=O)[nH]c1=O)CN2
CCOC(=O)c2cnc(N1CCOCC1)nc2N	ZINC000000160634	C2CN(c1ncccn1)CCO2
C[C@@H]1NC(=S)N2[C@H](C)NC(=S)N12	ZINC000000204811	S=C1NCN2N1CNC2=S
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCC(O)=O	ZINC000000116320	c1ccccc1
OCC(=O)N2CCN(CC#CCN1CCN(C(=O)CO)CC1)CC2	ZINC000351403343	C2CN(CC#CCN1CCNCC1)CCN2
N[C@@H]2CCCCN(CC(=O)N1CCO[C@H](C(N)=O)C1)C2=O	ZINC000643671088	O=C1CCCCCN1CC(=O)N2CCOCC2
CC2(C)SC[C@@H](C(=O)Nc1nncs1)N2C=O	ZINC000000077915	O=C(Nc1nncs1)C2CSCN2
CCN2CCN(CC(=O)NCCN1CCNC(=O)C1)C(=O)C2=O	ZINC000272828175	O=C2CN(CCNC(=O)CN1CCNC(=O)C1=O)CCN2
CC3=C(C(N)=O)[C@@H](c1ccccn1)n2[nH]nnc2=N3	ZINC000000071541	C3=CC(c1ccccn1)n2[nH]nnc2=N3
CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)COC	ZINC000231855784	nonring
Nc2ccn([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c(=O)c2	ZINC000003870930	O=c1ccccn1C2CCCO2
N[C@H](CC(N)=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1	ZINC000038083656	O=S1(=O)CCCC1
NCC(=O)NCC(=O)NC[C@@H]1CCS(=O)(=O)C1	ZINC000038083654	O=S1(=O)CCCC1
COc1cc(N)ccc1S(=O)(=O)N2CCOCC2	ZINC000000419308	O=S(=O)(N1CCOCC1)c2ccccc2
CC(C)[C@H]2CN(C(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)CCN2	ZINC000643592385	O=C(NCCCN1CCOCC1)C(=O)N2CCNCC2
OC(=O)c1ccccc1C(=O)Nc2cccnc2	ZINC000000053775	O=C(Nc1cccnc1)c2ccccc2
Cn2c(=O)oc3cc(S(=O)(=O)N1CCOCC1)ccc23	ZINC000000053777	O=c3[nH]c2ccc(S(=O)(=O)N1CCOCC1)cc2o3
COc2cccc(N1CC(=O)N(N)CC1=O)c2	ZINC000000160248	O=C2CN(c1ccccc1)C(=O)CN2
N[C@@H]2CCCCN(CC(=O)NCCCN1C(=O)CNC1=O)C2=O	ZINC000643688422	O=C(CN1CCCCCC1=O)NCCCN2C(=O)CNC2=O
COC(=O)[C@@H]1SCC(=O)[C@H]1C(=O)OC	ZINC000000160031	O=C1CCSC1
OC[C@H](O)[C@H]2O[C@@H]1NC(=O)O[C@@H]1[C@@H]2O	ZINC000001036772	O=C2NC1OCCC1O2
CC(C)NC(=O)CSc1nnc(CNC(=O)OC(C)(C)C)n1C	ZINC000000171478	c1nnc[nH]1
COC(=O)N2CC(NC(=O)C(=O)NC1CNC1)C2	ZINC000497122093	O=C(NC1CNC1)C(=O)NC2CNC2
NC(=O)[C@@H]3C[C@@]1(NC(=O)NC1=O)c2cc(F)ccc2O3	ZINC000000002486	O=C3NC(=O)C2(CCOc1ccccc12)N3
CS(=O)(=O)N(CC(=O)N1CCOCC1)c2ccccc2	ZINC000000281484	O=C(CNc1ccccc1)N2CCOCC2
CC(=O)OCC(=O)Nc1cc(C#N)cc(NC(=O)COC(C)=O)c1Cl	ZINC000000597057	c1ccccc1
N[C@@H](Cn1cc(Cl)c(=O)[nH]c1=O)C(N)=O	ZINC000127850437	O=c1cc[nH]c(=O)[nH]1
CCn1cc(C(O)=O)c(=O)c2cc(N(=O)=O)ccc12	ZINC000000033296	O=c1cc[nH]c2ccccc12
OCCN(CCO)C(=O)c2ccc1n(=O)onc1c2	ZINC000001584258	O=n1onc2ccccc12
CO[C@@]3(C(=O)N[C@H]2CN(CCN1CCOCC1)C(=O)C2)CCOC3	ZINC000530508784	O=C2CC(NC(=O)C1CCOC1)CN2CCN3CCOCC3
O=C(Cn1cn[nH]c1=O)N3CCN(C[C@@H]2CCOC2)CC3	ZINC000188146556	O=C(Cn1cn[nH]c1=O)N3CCN(CC2CCOC2)CC3
O[C@@H](CN1C[C@H]3C[C@@H](C1)c2cccc(=O)n2C3)C[S@@](=O)CC=C	ZINC000000519317	O=c3cccc2C1CNCC(C1)Cn23
CNS(=O)(=O)N2CCN(C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)CC2	ZINC000651997186	O=C(C1CCCN1)N2CCNCC2
CN2C(=O)C[C@@]1(CNC(=O)C1)C2=O	ZINC000000068814	O=C1CC2(CN1)CC(=O)NC2=O
C[C@@H]2[C@@H]1[C@H](C)N(CO)C(=O)N(C)[C@@H]1N(CO)C(=O)N2C	ZINC000000506653	O=C2NCC1CNC(=O)NC1N2
CN(C)S(=O)(=O)N2CC(NS(=O)(=O)C1COC1)C2	ZINC000625625050	O=S(=O)(NC1CNC1)C2COC2
CCC13CN2CC(C)(CN(C1)C2[C@H](O)[C@H](O)[C@H](O)CO)C3=O	ZINC000019325672	O=C1C2CN3CC1CN(C2)C3
CNS(=O)(=O)NCC(=O)NCC(=O)NCc1ccco1	ZINC000568139064	c1ccoc1
CN(C)S(=O)(=O)N2CC(NS(=O)(=O)c1cnnn1C)C2	ZINC000625625586	O=S(=O)(NC1CNC1)c2cnn[nH]2
CCC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1	ZINC000000358858	c1ccccc1
COC(=O)N1CCN(C(=O)[C@@H](N)CC(N)=O)CC1	ZINC000038101776	C1CNCCN1
COC[C@](C)(CNC(=O)[C@@H]1CC(=O)N1)NC(=O)[C@@H]2CC(=O)N2	ZINC000668760216	O=C2CC(C(=O)NCCNC(=O)C1CC(=O)N1)N2
O=C(COC1CNC1)NC2=NCC(=O)N2	ZINC000582664972	O=C(COC1CNC1)NC2=NCC(=O)N2
CCCCS(=O)(=O)NCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NC	ZINC000644172520	O=S1(=O)CCNCC1
CC(=O)Nc1[nH]c(=O)[nH]c(=O)c1N(C(C)=O)C(C)=O	ZINC000001629757	O=c1cc[nH]c(=O)[nH]1
NC(=O)COc2ccc(\C=N\NS(=O)(=O)c1ccccc1)cc2	ZINC000000443760	O=S(=O)(NN=Cc1ccccc1)c2ccccc2
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]3CN(C2CC2)C(=O)C3	ZINC000600123958	O=C(CNC(=O)C2CN(C1CC1)C(=O)C2)N3CCCC3
COc2ccc(OCc1nnc(SCC(N)=O)n1N)cc2	ZINC000000573296	C(Oc1ccccc1)c2nnc[nH]2
C[C@@H](N)CNC(=O)Cn1c(=O)n(CC=C)c(=O)c1=O	ZINC000648129304	O=c1[nH]c(=O)c(=O)[nH]1
CCS(=O)(=O)N(C)CC(=O)NCC#CCO	ZINC000332493364	nonring
NC(=O)COc1cc(OCC(N)=O)c3c(c1)oc(=O)c2ccccc23	ZINC000000134008	O=c2oc1ccccc1c3ccccc23
C[C@@H](C(=O)N(C)CC(C)(CO)CO)S(C)(=O)=O	ZINC000332486055	nonring
NCC(=O)NCC(=O)Nc2nccc(Nc1ccc(S(N)(=O)=O)cc1)n2	ZINC000013800665	N(c1ccccc1)c2ccncn2
CN(CC(=O)N(C)CC(C)(CO)CO)C(C)=O	ZINC000332486581	nonring
C[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)[C@@H]3CCCO3	ZINC000642781985	O=C(NCC1CCCO1)C(=O)N3CC(S(=O)(=O)N2CCNCC2)C3
COC(=O)c2cc[n+](Cc1ccc(N(=O)=O)cc1)cc2	ZINC000000157933	C(c1ccccc1)[n+]2ccccc2
C[C@@]3(C1CC1)NC(=O)N(CC(=O)NCCC(=O)N2CCOCC2)C3=O	ZINC000045067012	O=C(CN2C(=O)NC(C1CC1)C2=O)NCCC(=O)N3CCOCC3
NC(=O)c2nc1ncccn1n2	ZINC000000370711	c2cnc1ncnn1c2
Cc2ccc(N[C@H]1C[C@@H](O)[C@@H](CO)O1)cc2N(=O)=O	ZINC000000059323	C2COC(Nc1ccccc1)C2
C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)C(N)=O	ZINC000252439723	O=S1(=O)CCCC1
CC(C)(CNS(=O)(=O)[C@@H]1CCOC1)NS(C)(=O)=O	ZINC000605319397	C1CCOC1
COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O	ZINC000445187930	C1CCNCC1
NC(=O)CN3CCN(c2ccc1ccccc1n2)CC3	ZINC000000117036	C3CN(c2ccc1ccccc1n2)CCN3
OCCN(CCO)C(=O)c1cc(=O)[nH]c(=O)[nH]1	ZINC000001681570	O=c1cc[nH]c(=O)[nH]1
Nc2nc(N)c(CCCOc1ccc(C(O)=O)cc1)c(N)n2	ZINC000001748582	C(COc1ccccc1)Cc2cncnc2
OC(=O)CN1CCNCCNCCNCC1	ZINC000034743444	C1CNCCNCCNCCN1
COC(=O)c2ccc(NC(=O)Cc1ccc(OC)cc1)cc2	ZINC000000029645	O=C(Cc1ccccc1)Nc2ccccc2
CN2CCO[C@H](CNC(=O)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1)C2	ZINC000560907424	O=C(NCC1CNCCO1)C(=O)N2CCOCC2
CS(=O)(=O)c1nncn1c2ccccn2	ZINC000000266014	c2ccc(n1cnnc1)nc2
NCCN(C[C@@H](O)CO)Cc1ccc(C(N)=O)cc1	ZINC000662288238	c1ccccc1
Cc2ccc(OCC(=O)Nc1sc(C)c(C)c1C(N)=O)cc2	ZINC000000038409	O=C(COc1ccccc1)Nc2cccs2
Cn1c(=O)[nH]c(=O)/c(=C\NNC(N)=S)c1=O	ZINC000408534285	C=c1c(=O)[nH]c(=O)[nH]c1=O
CS(=O)(=O)N2CCN(CCNC(=O)C(=O)NCCn1ccnc1)CC2	ZINC000670639837	O=C(NCCN1CCNCC1)C(=O)NCCn2ccnc2
CS(=O)(=O)n2nc(C(=O)N1CCOCC1)nc2N	ZINC000002489305	O=C(N1CCOCC1)c2nc[nH]n2
CS(=O)(=O)NC2CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2	ZINC000628794002	O=C(C1CCS(=O)(=O)N1)N2CCC2
CC(=O)N2CC(NC(=O)CNS(=O)(=O)c1cnn(C)c1)C2	ZINC000530582385	O=C(CNS(=O)(=O)c1cn[nH]c1)NC2CNC2
OC[C@@H]2O[C@@H](N1CCCNC1=O)[C@@H](O)[C@@H]2O	ZINC000005121080	O=C1NCCCN1C2CCCO2
CO[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1NC(=O)c2ccccc2	ZINC000005743412	O=C(NC1CCOC1)c2ccccc2
CNC(=O)C(=NNc1cccc(C(N)=O)c1)C#N	ZINC000000352403	c1ccccc1
C[C@@H]1C[N@@](CCO)[C@H](C)CN1C(=O)[C@@H]2CCN=c3c2n[nH]n3C	ZINC000616341419	O=C(C1CCN=c2[nH][nH]nc12)N3CCNCC3
CNC(=O)NC2CN(S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2	ZINC000337985993	O=c2[nH]cc(S(=O)(=O)N1CCC1)c(=O)[nH]2
C[C@@H]2CN(C(=O)CNS(=O)(=O)c1cnn(C)c1)CCN2	ZINC000188404495	O=C(CNS(=O)(=O)c1cn[nH]c1)N2CCNCC2
NC(=O)C2CCN(S(=O)(=O)c1ccccc1)CC2	ZINC000000207953	O=S(=O)(N1CCCCC1)c2ccccc2
CCCNS(=O)(=O)N[C@@H](C)C(=O)NC	ZINC000332438097	nonring
O[C@@H]2CC(C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)=C[C@@H](O)[C@H]2O	ZINC000668591749	O=C(NCCS(=O)(=O)NCC1CCCCO1)C2=CCCCC2
CNC(=O)Cn2cc(NC(=O)N1CCN(CCN(C)C)C(=O)C1)cn2	ZINC000650110211	O=C2CN(C(=O)Nc1cn[nH]c1)CCN2
CS(=O)(=O)N1CCC[C@@H]1C(=O)N2CCO[C@@H](CN)C2	ZINC000646973334	O=C(C1CCCN1)N2CCOCC2
CC(C)OC[C@@H](O)Cn1c(N)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000368006	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
O=C3CC[C@@]4(C(=O)N2CCN(S(=O)(=O)c1nc[nH]n1)CC2)SCCN34	ZINC000530456602	O=C3CCC4(C(=O)N2CCN(S(=O)(=O)c1nc[nH]n1)CC2)SCCN34
CN(CCCN)S(=O)(=O)N1CCNC(=O)CC1	ZINC000062098986	O=C1CCNCCN1
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCS(N)(=O)=O	ZINC000332482599	nonring
COc2cccc([C@@H]1NC[C@@H](C(O)=O)S1)c2O	ZINC000000097611	C2CSC(c1ccccc1)N2
CS(=O)(=O)Nc2ccc(C(=O)N1CCN(CC(N)=O)C(=O)C1)cc2	ZINC000622690843	O=C2CN(C(=O)c1ccccc1)CCN2
Nc3nc(N)c2nc(c1ccccc1)c(N)nc2n3	ZINC000000120286	c3ccc(c2cnc1ncncc1n2)cc3
COC(=O)[C@@H](CO)NC(=O)[C@H](NC(C)=O)C(C)C	ZINC000035162576	nonring
NC(=O)CN2CCN(C(=O)c1cn[nH]c1)CC2=O	ZINC000622690665	O=C2CN(C(=O)c1cn[nH]c1)CCN2
CCN1CCN(CC(=O)NC[C@@H](O)CC(=O)OC)C(=O)C1=O	ZINC000600465969	O=C1NCCNC1=O
CCn1nnc(C)c1C(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622691249	O=C2CN(C(=O)c1cnn[nH]1)CCN2
COC[C@@]3(C(=O)N2CCN(C(=O)C(=O)N1CCOCC1)CC2)CCCN3	ZINC000643623827	O=C(C1CCCN1)N3CCN(C(=O)C(=O)N2CCOCC2)CC3
CN(C)C(=O)CN2CCN1[C@H](CNC(=O)C1=O)C2	ZINC000152712233	O=C2NCC1CNCCN1C2=O
COCC(=O)NC[C@@]1(O)COCC[N@@](CCC(N)=O)C1	ZINC000257281069	C1CNCCOC1
CN(C)S(=O)(=O)NCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c2ccnn2C	ZINC000583941401	O=C2CCC(c1ccn[nH]1)N2
COC(=O)[C@@H]1CNC(=O)CN1C(=O)CN2CC(=O)NC2=O	ZINC000344840176	O=C2CN(C(=O)CN1CC(=O)NC1=O)CCN2
OCC[C@@H]1NC(=O)[C@H](CCO)NC1=O	ZINC000000162126	O=C1CNC(=O)CN1
CN2C[C@@H](NC(=O)Cn1ncn(C)c1=O)C(=O)N2	ZINC000352647795	O=C(Cn1nc[nH]c1=O)NC2CNNC2=O
COC(=O)[C@@H]1CNCCCN1C(=O)CN	ZINC000394555507	C1CNCCNC1
CC1(C)NC(C)(C)[C@](O)(C(N)=O)C1=O	ZINC000000205555	O=C1CCNC1
CNS(=O)(=O)c2ccc1c(O)cc(S(=O)(=O)NC)cc1c2	ZINC000000202270	c2ccc1ccccc1c2
NNC(=O)c2cc1ccccc1oc2=O	ZINC000000028127	O=c2ccc1ccccc1o2
CCOc1ccc(S(=O)(=O)NCC(OC)OC)c2cccnc12	ZINC000000211227	c2ccc1ncccc1c2
Cc3cc(C)n(c2nc1c(=O)n(C)c(=O)n(C)c1[nH]2)n3	ZINC000000049541	O=c3[nH]c(=O)c2nc(n1cccn1)[nH]c2[nH]3
OCC1(CO)COCC(CO)(CO)C1O	ZINC000001702547	C1CCOCC1
CN(C)S(=O)(=O)c2ccc(C(=O)N1CCOCC1)cc2	ZINC000000307418	O=C(N1CCOCC1)c2ccccc2
NC(=O)CN2CCN(C(=O)[C@@]1(O)CCOC1)CC2=O	ZINC000622691576	O=C2CN(C(=O)C1CCOC1)CCN2
CO[C@@](C)(CO)CNC(=O)c2ccc1c(=O)n(C)c(=O)n(C)c1n2	ZINC000655210608	O=c2[nH]c(=O)c1cccnc1[nH]2
O=C(NC1CC1)C(=O)N3CCN(C(=O)[C@@H]2CNCCO2)CC3	ZINC000370801287	O=C(NC1CC1)C(=O)N3CCN(C(=O)C2CNCCO2)CC3
CN2CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]1CCCCN1)CC2	ZINC000642722541	O=C(CCNC(=O)C(=O)NCC1CCCCN1)N2CCNCC2
Cn2c(=O)n(Cc1ccc(Cl)cc1)c(=O)c3n(CCO)cnc23	ZINC000000266385	O=c2[nH]c1nc[nH]c1c(=O)n2Cc3ccccc3
CN3CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]1CCNC1)CC2)CC3	ZINC000333498324	O=C(NC1CCNC1)N3CCN(S(=O)(=O)N2CCNCC2)CC3
CN2CCN(C(=O)Cn1cnc(N(=O)=O)n1)[C@@H](CN)C2	ZINC000577850939	O=C(Cn1cncn1)N2CCNCC2
O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccn2	ZINC000000137020	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccn2
CS(=O)(=O)N3CCC[C@H](C(=O)N2CC([N@]1CC[C@@H](O)C1)C2)C3	ZINC000628005200	O=C(C1CCCNC1)N3CC(N2CCCC2)C3
C[C@H](O)CN([C@@H](C)CO)C(=O)C(=O)N1CCC[C@@](O)(CC(N)=O)C1	ZINC000644916616	C1CCNCC1
COC(=O)c2ccc([C@@H]1NC(=S)NC(C)=C1C(N)=O)cc2	ZINC000000071754	S=C2NC=CC(c1ccccc1)N2
CCN(CC)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000000174587	c1ccccc1
O=C(Cn2cnc1ccccc1c2=O)NCCC(=O)N3CCCCC3	ZINC000000211172	O=C(Cn2cnc1ccccc1c2=O)NCCC(=O)N3CCCCC3
CCOc2ccc(C(=O)Oc1cc(N)n(S(C)(=O)=O)n1)cc2	ZINC000000211176	O=C(Oc1cc[nH]n1)c2ccccc2
Cn3c(=O)n(C)c2nc(N)n(Cc1ccc(F)cc1)c2c3=O	ZINC000000390140	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
Cc3nc(N1CCOCC1)nc(N2CCOCC2)c3C=O	ZINC000000327568	C3CN(c2ccnc(N1CCOCC1)n2)CCO3
NCC(=O)NCC(=O)NCCC(O)=O	ZINC000002390904	nonring
O[C@H]1CNC[C@H]1CNC(=O)[C@@H](Cc2ccccc2)n3cnnn3	ZINC000648132974	O=C(NCC1CCNC1)C(Cc2ccccc2)n3cnnn3
Cn4c(=O)n(C)c3nc2[nH]c1ccccc1c2nc3c4=O	ZINC000000129829	O=c2[nH]c(=O)c1nc4c(nc1[nH]2)[nH]c3ccccc34
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc2ccco2	ZINC000000114895	O=S(=O)(NCc1ccco1)c2ccoc2
Cn3nc2sc1ccccc1n2c(=O)c3=O	ZINC000000160183	O=c3[nH]nc2sc1ccccc1n2c3=O
NC(=O)Cn3nc2sc1ccccc1n2c(=O)c3=O	ZINC000000160180	O=c3[nH]nc2sc1ccccc1n2c3=O
CCOC(=O)c1cnc(N(CC)CC)[nH]c1=O	ZINC000000394082	O=c1ccnc[nH]1
COc2ccc(CCNC(=O)C1CCN(S(C)(=O)=O)CC1)cc2	ZINC000000471142	O=C(NCCc1ccccc1)C2CCNCC2
CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC(O)=O)cc1	ZINC000036967767	c1ccccc1
CN(C)S(=O)(=O)N3CC(Nc1ncnc2[nH]cc(C(N)=O)c12)C3	ZINC000624709349	C1NCC1Nc2ncnc3[nH]ccc23
NS(=O)(=O)c2ccc(CCNC(=O)c1ccc(N(=O)=O)cc1)cc2	ZINC000000182442	O=C(NCCc1ccccc1)c2ccccc2
Cn4c3N[C@]2(O)c1ccccc1C(=O)[C@]2(O)c3c(=O)[nH]c4=O	ZINC000000298311	O=C3C1C(Nc2[nH]c(=O)[nH]c(=O)c12)c4ccccc34
CN1C[C@@](O)([C@@H](O)[C@H](O)[C@H](O)CO)SC1=S	ZINC000005105952	S=C1NCCS1
CNC(=O)CN(C)C(=O)[C@@H](C)N1CCNCC1	ZINC000037269322	C1CNCCN1
CC(=O)N1CCC[C@@H]1C(N)=O	ZINC000000399356	C1CCNC1
CC(=O)NCC(=O)NCC(=O)N1CCn2c(C1)nn(C)c2=O	ZINC000362710249	O=c2[nH]nc1CNCCn12
COC(=O)c2cn(CC(=O)N1CC=CCN1)nn2	ZINC000600136400	O=C(Cn1ccnn1)N2CC=CCN2
CCN2CCN(CC(=O)N1CCO[C@H](C(N)=O)C1)C(=O)C2=O	ZINC000050847180	O=C(CN1CCNC(=O)C1=O)N2CCOCC2
COC(=O)N2CCN(C(=O)N1[C@H](C(O)=O)[C@@H](CCCNC(N)=N)C1=O)CC2	ZINC000013860494	O=C1CCN1C(=O)N2CCNCC2
Nc3cc(N2CCN(C(=O)CN1C(=O)CNC1=O)C[C@@H](O)C2)ncn3	ZINC000097547431	O=C1CNC(=O)N1CC(=O)N3CCCN(c2ccncn2)CC3
Cc2cc(=O)c1c(=O)n(C)c(=O)n(C)c1[nH]2	ZINC000000343990	O=c2[nH]c(=O)c1c(=O)cc[nH]c1[nH]2
Cc2ccc(S(=O)(=O)n1ccc(C(O)=O)c1)cc2	ZINC000000172190	O=S(=O)(c1ccccc1)n2cccc2
CC(C)NS(=O)(=O)NCCNC(=O)[C@@H]1CCS(=O)(=O)N1	ZINC000651890273	O=S1(=O)CCCN1
COC(=O)c1cnc([S@@](=O)CC#N)n1C	ZINC000000150048	c1c[nH]cn1
CN1CCNC[C@@H]1CNC(=O)CNS(=O)(=O)c2cn(C)cn2	ZINC000647080439	O=C(CNS(=O)(=O)c1c[nH]cn1)NCC2CNCCN2
CC(C)NS(=O)(=O)CCNC(=O)N1CCN(CCS(N)(=O)=O)CC1	ZINC000443430560	C1CNCCN1
CCN(CC(N)=O)C(=O)CNS(=O)(=O)c1cnn(C)c1	ZINC000356931764	c1cn[nH]c1
CC(=O)N(Cn2c(=O)c1ccccc1c2=O)c3ccc(C(O)=O)cc3	ZINC000000055179	O=c2n(CNc1ccccc1)c(=O)c3ccccc23
NC(=O)c2nc([C@@H]1C[C@@H](O)[C@H](CO)O1)n[nH]2	ZINC000005575173	C2COC(c1nc[nH]n1)C2
COC(=O)[C@@]2(CC(=O)c1cccc(N(=O)=O)c1)NC(=S)NC(O)=C2C#N	ZINC000001588187	O=C(CC1NC(=S)NC=C1)c2ccccc2
Cc2cnn(CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c2	ZINC000605225016	O=C(NCCN1CCNCC1)NCCn2cccn2
C[C@@H]1NC(=O)[C@@H](CO)N(C)C1=O	ZINC000000392817	O=C1CNC(=O)CN1
CCNC(=O)C[C@H]2N(NC(=O)c1ccccc1)C(=S)N(CC)C2=O	ZINC000000207383	O=C2CN(NC(=O)c1ccccc1)C(=S)N2
CNC[C@@H]1C[C@H](F)CN1C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2	ZINC000648132289	O=C(CNS(=O)(=O)c1cc[nH]c1)N2CCCC2
CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)C(=O)C2	ZINC000000039110	O=C1CC2CCC1C2
NC(=O)[C@H]3C[C@H](NC(=O)N2CCN(C(=O)C(=O)N1CCOCC1)CC2)C3	ZINC000624631015	O=C(NC1CCC1)N3CCN(C(=O)C(=O)N2CCOCC2)CC3
C[C@@H](O)C(=O)NCC2(N1CCOCC1)CCOCC2	ZINC000622690432	C2CC(N1CCOCC1)CCO2
NOC(=O)[C@@H]2C1CCC(CC1)[C@@H]2C(N)=O	ZINC000000401631	C1CC2CCC1CC2
NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(O)=O	ZINC000037405984	c1ccccc1
CCNS(=O)(=O)N2CCN1[C@H](CNC(=O)C1=O)C2	ZINC000332724230	O=C2NCC1CNCCN1C2=O
OC[C@@H]2C[C@@H](O)[C@H](n1ccc(=O)[nH]c1=O)O2	ZINC000006091554	O=c2ccn(C1CCCO1)c(=O)[nH]2
CC(=O)n2c(=O)c1ccc(N(=O)=O)cc1c2=O	ZINC000000099400	O=c1[nH]c(=O)c2ccccc12
NS(=O)(=O)CCN2CCN(C(=O)NCC(=O)N1CCOCC1)CC2	ZINC000409741496	O=C(CNC(=O)N1CCNCC1)N2CCOCC2
COC(=O)c2cccc(NC(=O)C1=NNC(=O)CC1)c2	ZINC000000157341	O=C2CCC(C(=O)Nc1ccccc1)=NN2
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C=O	ZINC000085531734	O=C1CCCN1
OC[C@@H]2O[C@@H](n1ccc(=O)[nH]c1=O)[C@H]3O[C@@H]23	ZINC000004901365	O=c3ccn(C2OCC1OC12)c(=O)[nH]3
CCOC(=O)CN(CC(N)=O)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	ZINC000596947263	C1CCC=CC1
C[C@@H]([C@@H](C)S(C)(=O)=O)[N@@](C)CCC(=O)NC(N)=O	ZINC000332490219	nonring
OC[C@H](O)CN[C@@H]1CCS(=O)(=O)C1	ZINC000004785979	O=S1(=O)CCCC1
OC3(C(=O)N2CCN(CC(=O)N1CCOCC1)CC2)CNC3	ZINC000662664467	O=C(CN2CCN(C(=O)C1CNC1)CC2)N3CCOCC3
Cn2cc(S(=O)(=O)NC1CCC1)c(=O)n(C)c2=O	ZINC000332496680	O=c2[nH]cc(S(=O)(=O)NC1CCC1)c(=O)[nH]2
CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OS(C)(=O)=O	ZINC000004963410	C1CCOC1
N[C@@H]([C@H]2O[C@@H](n1ccc(=O)[nH]c1=O)[C@H](O)[C@@H]2O)C(O)=O	ZINC000006524829	O=c2ccn(C1CCCO1)c(=O)[nH]2
COCCCNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC	ZINC000668333414	O=S1(=O)CCCC1
COC[C@H](O)CN(C)C(=O)C(=O)NCC(N)=S	ZINC000042526260	nonring
CO[C@@H]1NC(=S)N[C@H]1OC	ZINC000000496349	S=C1NCCN1
CNC(=O)NC(=O)[C@@H](C)NCCN1CCOCC1	ZINC000020303150	C1COCCN1
NCCOCC(=O)NC[C@@H]1CN2CCCN1CC2	ZINC000394382465	C1CN2CCN(C1)CC2
C[N+](C)(C)C[C@@H](O)CC(O)=O	ZINC000000154729	nonring
COC(=O)CNC(=O)[C@@H]2COc1ccccc1O2	ZINC000000103638	C2COc1ccccc1O2
CC(=O)COc1ccccc1OCC(O)=O	ZINC000000188996	c1ccccc1
CS(=O)(=O)N1CCN[C@@H](S(N)(=O)=O)C1	ZINC000616650780	C1CNCCN1
NC(=O)CN2CCN(C(=O)c1ccnn1CC(F)F)CC2=O	ZINC000622691744	O=C2CN(C(=O)c1ccn[nH]1)CCN2
CC[N@]2CCC[C@@H](NC(=O)Cn1cn[nH]c1=O)C2	ZINC000186673650	O=C(Cn1cn[nH]c1=O)NC2CCCNC2
OC(=O)CCC(=O)NC[C@@H]1OCCc2ccccc12	ZINC000000111860	C2Cc1ccccc1CO2
CNc1nc(SC)nc(N(CC(=O)OC)C#N)n1	ZINC000000181412	c1ncncn1
C[C@@H]1CN(S(=O)(=O)N(C)C)CCN1S(=O)(=O)N(C)C	ZINC000004820873	C1CNCCN1
COC(=O)CNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1	ZINC000557827137	c1ccccc1
CC(CO)(CO)NC(=O)C=C1CC(=O)NC(=O)N1	ZINC000002712788	C=C1CC(=O)NC(=O)N1
CN(C)C(=O)CN1CCN(C(=O)CNC(CO)CO)CC1	ZINC000565165750	C1CNCCN1
C[C@@H](NS(=O)(=O)N1CCOCC1)C(N)=O	ZINC000355787453	C1COCCN1
Cn2ncc3c(N1CCOCC1)ncnc23	ZINC000000116866	C3CN(c1ncnc2[nH]ncc12)CCO3
CO[C@@](C)(CO)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1	ZINC000655218148	c1ccccc1
CCS(=O)(=O)NCCNC(=O)[C@@H]1CNCCOC1	ZINC000643638524	C1CNCCOC1
COC(=O)c1cc(OC)nc2n(C)c(=O)n(C)c(=O)c12	ZINC000000339560	O=c2[nH]c(=O)c1cccnc1[nH]2
COC2C=C1[C@@H](NC(=O)NC1=O)C=C2OC	ZINC000000339565	O=C2NC1C=CCC=C1C(=O)N2
CCOC(=O)COn1c(=O)cn(=O)c2ccccc12	ZINC000000445802	O=c2cn(=O)c1ccccc1[nH]2
Cn3[nH]nc2[C@@H](C(=O)NCC1(CC(N)=O)CC1)CCN=c23	ZINC000616366202	O=C(NCC1CC1)C2CCN=c3[nH][nH]nc23
COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CCOCCO	ZINC000600115440	C1CC1
COC(=O)CNC(=O)c1ccncc1Br	ZINC000000128476	c1ccncc1
COc3ccc([C@H]2C[C@@]1(O)C[C@](C#N)(C(=O)N1)C2(C#N)C#N)cc3	ZINC000000128475	O=C1NC3CC1CC(c2ccccc2)C3
O=C(CSc1ncnc2[nH]cnc12)NC[C@@H]3CCCO3	ZINC000000033507	O=C(CSc1ncnc2[nH]cnc12)NCC3CCCO3
O=c2[nH]c1CCCCc1c3c(=O)[nH]c(=O)c23	ZINC000000033503	O=c2[nH]c1CCCCc1c3c(=O)[nH]c(=O)c23
CCS(=O)(=O)C(=C1NCCO1)S(=O)(=O)CC	ZINC000000285237	C=C1NCCO1
Cn2cnn(CCC(=O)N1CCN(C(=O)CO)CC1)c2=O	ZINC000560339716	O=C(CCn1nc[nH]c1=O)N2CCNCC2
CCNC(=O)CN2CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)CC2	ZINC000342452464	O=C(Cn1cncn1)N2CCNCC2
CS(=O)(=O)CC[C@@H]1NC(=O)NC1=O	ZINC000004218922	O=C1CNC(=O)N1
Cc2nc(Cl)c1OCC(=O)N(CC(N)=O)c1n2	ZINC000000478596	O=C2COc1cncnc1N2
CN1C[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)CC1=O	ZINC000624689478	O=C1CCCN1
CNS(=O)(=O)NCC(=O)N1CCN(CC(N)=O)CC1	ZINC000339235741	C1CNCCN1
CNS(=O)(=O)Cc1ccc(N(=O)=O)cc1	ZINC000000086328	c1ccccc1
NCC(=O)NCC(=O)N1CSC[C@@H]1C(O)=O	ZINC000040469392	C1CSCN1
CO[C@H]2C[C@H](C(=O)N1CCO[C@@H](C(N)=O)C1)N(S(C)(=O)=O)C2	ZINC000363754917	O=C(C1CCCN1)N2CCOCC2
CCOC(=O)C1NC(=O)[C@@H](C)NC1=O	ZINC000001590253	O=C1CNC(=O)CN1
CN2CCN(C)[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)C2	ZINC000558215896	O=C(NCC1CNCCN1)C(=O)N2CCNCC2
COc1nn(C)cc1NC(=O)C(=O)NC2CN(S(=O)(=O)N(C)C)C2	ZINC000628032299	O=C(NC1CNC1)C(=O)Nc2cn[nH]c2
COc1nc(N(C)C)nc(N(C#N)[C@@H](C)C(=O)N(C)C)n1	ZINC000000068522	c1ncncn1
NC(=O)[C@@H]3CN(CCN2C(=O)NC1(CCCC1)C2=O)CCO3	ZINC000607728118	O=C2NC1(CCCC1)C(=O)N2CCN3CCOCC3
COC(=O)c3ccc(OCC(=O)Nc2nc1CCCCc1s2)cc3	ZINC000000051105	O=C(COc1ccccc1)Nc3nc2CCCCc2s3
CNS(=O)(=O)NC[C@@H]1CN(S(=O)(=O)NC)CCN1C	ZINC000651756823	C1CNCCN1
CN2CC[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)S2(=O)=O	ZINC000648927713	O=C2CN(C(=O)C1CCNS1(=O)=O)CCN2
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2	ZINC000002926011	O=c2[nH]cc(S(=O)(=O)NCCc1ccccc1)c(=O)[nH]2
CC(C=NNC1=NCCN1)=NN=C2NCCN2	ZINC000008622312	C2CNC(=NN=CC=NNC1=NCCN1)N2
CN(C)S(=O)(=O)NCC(=O)NCC1(CS(C)(=O)=O)CCC1	ZINC000616315397	C1CCC1
NC(=O)CN(CC(N)=O)C(=O)c2cn(CC(=O)N1CCCC1)nn2	ZINC000371682768	O=C(Cn1ccnn1)N2CCCC2
CCOC(=O)Cc1nnc(NC(C)=O)s1	ZINC000000208522	c1nncs1
O=C(N1CCNCC1)N2CCOCC2	ZINC000000079633	O=C(N1CCNCC1)N2CCOCC2
CCCS(=O)(=O)N2CCC(C(=O)NC[C@H]1CCCO1)CC2	ZINC000000263260	O=C(NCC1CCCO1)C2CCNCC2
Cn3c(=O)n(C)c2[nH]c(c1ccccn1)nc2c3=O	ZINC000000382968	O=c3[nH]c(=O)c2nc(c1ccccn1)[nH]c2[nH]3
Nc2nnc3[nH]c(=O)c(CC(=O)c1ccccc1)nn23	ZINC000000390600	O=C(Cc2nn1cnnc1[nH]c2=O)c3ccccc3
CCOC(=O)C2CCN(S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)CC2	ZINC000000223823	O=c2[nH]cc(S(=O)(=O)N1CCCCC1)c(=O)[nH]2
Cc2noc(CCNC(=O)N[C@H](C1CC1)C(O)=O)n2	ZINC000231909568	O=C(NCCc1ncno1)NCC2CC2
O=C([C@H]1CCN1)N3CC(S(=O)(=O)N2CCNCC2)C3	ZINC000571402692	O=C(C1CCN1)N3CC(S(=O)(=O)N2CCNCC2)C3
CCOC(=O)c2cnc1ccccc1c2NCCN3CCOCC3	ZINC000000037971	C(CN1CCOCC1)Nc2ccnc3ccccc23
CNC(=O)CN1CCN(C(=O)CN)CC1	ZINC000019687556	C1CNCCN1
OC[C@H](CNC(=O)CN1CCOCC1=O)NC(=O)CN2CCOCC2=O	ZINC000684164763	O=C(CN1CCOCC1=O)NCCNC(=O)CN2CCOCC2=O
CCn2nc(c1ccccn1)nc3c(=O)n(C)c(=O)nc23	ZINC000000488511	O=c3nc2[nH]nc(c1ccccn1)nc2c(=O)[nH]3
NC(=O)[C@@H]2CCCN(C(=O)CNC(=O)[C@@H]1CCCN1)C2	ZINC000648148969	O=C(CNC(=O)C1CCCN1)N2CCCCC2
CS(=O)(=O)N2CCN(CCNC1CCOCC1)CC2	ZINC000062767920	C2CN(CCNC1CCOCC1)CCN2
CCn2c(=O)n(CC)c1n(C)cnc1c2=O	ZINC000000399848	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CCn1c(=O)n(C)c(=O)c2[nH]c(=O)[nH]c12	ZINC000000399841	O=c2[nH]c(=O)c1[nH]c(=O)[nH]c1[nH]2
Cn1c(Cl)nc2c(=O)n(C)c(=O)n(C)c12	ZINC000000399840	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CN2CCO[C@@H]1CC[N@@](CCNS(C)(=O)=O)C[C@@H]12	ZINC000332685548	C2COC1CCNCC1N2
C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)CO1	ZINC000646899340	C1CCOC1
CN3CCN(S(=O)(=O)N2CCN(C(=O)C1(O)CNC1)CC2)CC3	ZINC000662500957	O=C(C1CNC1)N3CCN(S(=O)(=O)N2CCNCC2)CC3
COC[C@@H](CCO)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000354325141	C1CNCCN1
NC(=O)c2ncn(CC(=O)NCC[N@]1CCC=CC1)n2	ZINC000651952994	O=C(Cn1cncn1)NCCN2CCC=CC2
COC(=O)[C@@H]1O[C@@H](SCCN)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000005648685	C1CCOCC1
CCCNC(=O)Cn1cc(S(=O)(=O)NC)c(S(=O)(=O)NC)c1	ZINC000009224923	c1cc[nH]c1
CCC1(CCNC(=O)CN)C(=O)NC(=O)NC1=O	ZINC000001752370	O=C1CC(=O)NC(=O)N1
CNS(=O)(=O)CCNC(=O)[C@@H](CO)C(C)C	ZINC000332426518	nonring
COC(=O)C[C@H]2N(C(=O)[C@@H](C)n1cnc(C#N)n1)CCNC2=O	ZINC000342537014	O=C2CN(C(=O)Cn1cncn1)CCN2
CCc2ccc(N1C[C@@H](C(O)=O)CC1=O)cc2	ZINC000000061922	O=C1CCCN1c2ccccc2
Cn1cnc2c(=O)n(C)c(=O)[nH]c12	ZINC000000388635	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
Cn1cnc2c(=O)[nH]c(=O)n(C)c12	ZINC000000388636	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
C[C@H]1C[N@]([C@@H](C)CNC(=O)[C@@H](CO)NC(N)=O)C[C@@H](C)O1	ZINC000655242652	C1COCCN1
CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2O	ZINC000000173747	C1NCC2CNCC1C2
NC(=O)CN2CCN(C(=O)CN1CCCC[C@@H](O)C1=O)CC2=O	ZINC000644498090	O=C2CN(C(=O)CN1CCCCCC1=O)CCN2
CNC(=S)NN=c3nc(N1CCOCC1)nc(Nc2ccccc2)[nH]3	ZINC000000842742	N=c3nc(N1CCOCC1)nc(Nc2ccccc2)[nH]3
CCOC(=O)[C@H]2[C@H](c1ccc(O)cc1)NC(=O)N[C@]2(O)C(F)(F)F	ZINC000000067182	O=C2NCCC(c1ccccc1)N2
CCOC(=O)C(=NNc1ccc(S(N)(=O)=O)cc1)C#N	ZINC000000368069	c1ccccc1
C[C@H]1CC(=O)NCCN1C(=O)CCC(=O)NCCNC(C)=O	ZINC000371045391	O=C1CCNCCN1
C[C@H](N2CCN(C(=O)CN1CCCNC1=O)CC2)C(=O)N3CCOCC3	ZINC000600265717	O=C(CN2CCN(C(=O)CN1CCCNC1=O)CC2)N3CCOCC3
Cn3c(=O)n(C)c2ncn(C[C@@H](O)C/N=C/N1CCCCC1)c2c3=O	ZINC000000090919	O=c3[nH]c(=O)c2n(CCCN=CN1CCCCC1)cnc2[nH]3
CC2(C)OC(=O)N(n1cnnc1)[C@@]2(C)O	ZINC000000225500	O=C1OCCN1n2cnnc2
CNC(=O)[C@H]3O[C@@H](n1cnc2c(N)ncnc12)[C@H](O)[C@@H]3O	ZINC000001683110	C3COC(n1cnc2cncnc12)C3
COC(CNC1=CC(=O)OC12CCCCC2)OC	ZINC000000080543	O=C2OC1(CCCCC1)C=C2
CCn1c(=O)n(CC(=O)OC)c(=O)c2ccccc12	ZINC000000109709	O=c2[nH]c(=O)c1ccccc1[nH]2
COc1ccccc1Oc3ccc(S(=O)(=O)N2CCOCC2)cc3	ZINC000000074619	O=S(=O)(N1CCOCC1)c3ccc(Oc2ccccc2)cc3
NC3=NC(=O)C2(COC(c1cccnc1)OC2)S3	ZINC000000248961	O=C1N=CSC13COC(c2cccnc2)OC3
CNS(=O)(=O)NCC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO	ZINC000577959902	c1ccccc1
C[C@@H](NC=O)c1c[nH]c(=O)[nH]c1=O	ZINC000001755813	O=c1cc[nH]c(=O)[nH]1
NC(=S)c1ncn2ccc(=S)[nH]c12	ZINC000000023660	S=c2ccn1cncc1[nH]2
CC(=O)Nc2ccc(S(=O)(=O)n1cncn1)cc2	ZINC000000306186	O=S(=O)(c1ccccc1)n2cncn2
O=c1[nH]c(=S)[nH]/c1=C/c2ccc(C#N)cc2	ZINC000000100640	O=c1[nH]c(=S)[nH]c1=Cc2ccccc2
NCCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1	ZINC000037820418	C1CCNCC1
Fc1cn(CC=C)c(=O)n(CC=C)c1=O	ZINC000000076964	O=c1cc[nH]c(=O)[nH]1
COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCC(=O)NC(N)=O	ZINC000530483873	C1CCCC1
O=C([C@H]1CCN1)N3CCN(C(=O)C(=O)N2CCOCC2)CC3	ZINC000444158442	O=C(C1CCN1)N3CCN(C(=O)C(=O)N2CCOCC2)CC3
C[C@@H]2CN(C(=O)Cn1ncn(C)c1=O)CC[N@]2CCO	ZINC000187253597	O=C(Cn1nc[nH]c1=O)N2CCNCC2
COC(=O)CCC(=O)Nc2ccc(S(=O)(=O)Nc1cc(C)on1)cc2	ZINC000000677972	O=S(=O)(Nc1ccon1)c2ccccc2
CCCn1cnc2n(C)c(=O)[nH]c(=O)c12	ZINC000000224909	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CCN(CC(=O)NC(C)C)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)OC	ZINC000029698370	O=C1CNCCN1
CN2C(=O)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C2=O	ZINC000570941528	O=C2CC(NC(=O)CN1CCS(=O)(=O)CC1)C(=O)N2
O=C(N1CCOCC1)C(=O)N3CCN(CC2OCCO2)CC3	ZINC000071921539	O=C(N1CCOCC1)C(=O)N3CCN(CC2OCCO2)CC3
O=c3[nH]c2cc1[nH]c(=O)c(=O)c1cc2c3=O	ZINC000000291431	O=c3[nH]c2cc1[nH]c(=O)c(=O)c1cc2c3=O
COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc3ccc(S(=O)(=O)N2CCOCC2)cc3	ZINC000001032445	O=S(=O)(Nc2ccc(S(=O)(=O)N1CCOCC1)cc2)c3ccoc3
CCOC(=O)N3CCN(S(=O)(=O)c1cccc2nonc12)CC3	ZINC000000212855	O=S(=O)(N1CCNCC1)c2cccc3nonc23
Cn2nc(C(=O)N1CCN(CC(N)=O)C(=O)C1)cc2OC(F)F	ZINC000622691550	O=C2CN(C(=O)c1cc[nH]n1)CCN2
CN(C)S(=O)(=O)NCCNC(=O)NCCS(=O)(=O)NC(C)(C)C	ZINC000665015896	nonring
O=C1NCCCC[C@H]1NS(=O)(=O)c3ccc2OCCCOc2c3	ZINC000000131022	O=C1NCCCCC1NS(=O)(=O)c3ccc2OCCCOc2c3
CNC(=O)NC(=O)[C@H](C)N1CCNC(=O)C1	ZINC000016389003	O=C1CNCCN1
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)Nc2ccccc2	ZINC000000041502	O=C(Nc1ccccc1)N2CCSC2
CNS(=O)(=O)NCC(=O)N1C[C@H](O)C[C@H](C(=O)OC)C1	ZINC000592929121	C1CCNCC1
CNS(=O)(=O)NCC(=O)N2CCN(C(=O)CN1C(=O)CCC1=O)CC2	ZINC000568143787	O=C1CCC(=O)N1CC(=O)N2CCNCC2
CN(C)N2C(=O)C[C@H](N1CCCCC1)C2=O	ZINC000000243925	O=C2CC(N1CCCCC1)C(=O)N2
Cc2ccc(N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)cc2N(=O)=O	ZINC000000243920	C2CCC(Nc1ccccc1)OC2
CN2CCN(C(=O)CCNC(=O)C(=O)N1CCNC(=O)C1)CC2	ZINC000284732203	O=C2CN(C(=O)C(=O)NCCC(=O)N1CCNCC1)CCN2
CN3CCC(NC(=O)C(=O)N2CCN(CC(=O)N1CCCC1)CC2)CC3	ZINC000670545830	O=C(CN2CCN(C(=O)C(=O)NC1CCNCC1)CC2)N3CCCC3
CN(CC(=O)NC1CC1)C(=O)CN2CCNC(=O)C2	ZINC000012982421	O=C(CNC(=O)CN1CCNC(=O)C1)NC2CC2
CCOC(=O)C(=O)NCc1c(N)nnn1C	ZINC000001576563	c1c[nH]nn1
COc2cc(C(=O)/C=C/N1CC=CC1)cc(OC)c2OC	ZINC000000002035	O=C(C=CN1CC=CC1)c2ccccc2
COC[C@@]1(C(N)=O)CCCN1C(=O)[C@@H]2CC(=O)NC(=O)N2	ZINC000616432077	O=C2CC(C(=O)N1CCCC1)NC(=O)N2
Cn1[nH]cnc1=NC(=O)N2CC(S(C)(=O)=O)C2	ZINC000650096669	O=C(N=c1nc[nH][nH]1)N2CCC2
CN(C)n1c(N)cc(=O)[nH]c1=O	ZINC000000330414	O=c1cc[nH]c(=O)[nH]1
CCOc1ccccc1[C@@H]2NC(=O)NC(C)=C2C(N)=O	ZINC000000071730	O=C2NC=CC(c1ccccc1)N2
CN2CC[C@@H](C(=O)NCCN1CCNCC1)S2(=O)=O	ZINC000647679947	O=C(NCCN1CCNCC1)C2CCNS2(=O)=O
CN3CCN(C(=O)CCN2CC(N1CCNC1=O)C2)CC3	ZINC000660684022	O=C(CCN2CC(N1CCNC1=O)C2)N3CCNCC3
COC(=O)CNC(=O)CNC(=O)CN1C(=O)NC(C)(C)C1=O	ZINC000557831289	O=C1CNC(=O)N1
CCC[C@@H](O)[C@@H](CO)NC(=O)CNS(=O)(=O)N(C)C	ZINC000616311558	nonring
COCCN2CCN(C(=O)C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1)CC2	ZINC000625376768	O=C(N1CCNCC1)C(=O)N2CCOCC2
CC(C)(CNC(=O)C(=O)N[C@@H]1CCOC1)N2CCOCC2	ZINC000670537294	O=C(NCCN1CCOCC1)C(=O)NC2CCOC2
NC(NCCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NO)=NN(=O)=O	ZINC000045301052	c1ccccc1
CN(C)C(=O)C[N@@](C)CCC(=O)NC(N)=O	ZINC000332507380	nonring
N[C@H](CC(N)=O)C(=O)N[C@@H]1CN2CCC1CC2	ZINC000037623156	C1CN2CCC1CC2
NCC(=O)NCC(=O)N[C@@H]1CN2CCC1CC2	ZINC000037623154	C1CN2CCC1CC2
CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1	ZINC000367881563	C1CCNCC1
CCOCCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)NC)CC1	ZINC000570760812	C1CNCCN1
NC(=O)[C@H]4CS[C@@H]3C[C@@H](N2CC(=O)N1CCC[C@H]1C2=O)C(=O)N34	ZINC000013606452	O=C4CN(C2CC1SCCN1C2=O)C(=O)C3CCCN34
CS(=O)(=O)N1CCCN(S(C)(=O)=O)COC1	ZINC000001611172	C1CNCOCNC1
Nc2ccc(S(=O)(=O)c1ccc(NCC(O)=O)cc1)cc2	ZINC000000000862	O=S(=O)(c1ccccc1)c2ccccc2
NC3=C(C#N)[C@@H](c1ccncc1)c2oc(CO)cc(=O)c2O3	ZINC000000112771	O=c3ccoc2C(c1ccncc1)C=COc23
O=C1NCCCC[C@@H]1NC(=O)c2ccc(=O)oc2	ZINC000000485588	O=C1NCCCCC1NC(=O)c2ccc(=O)oc2
COCCNC(=O)CN2CCN(C(=O)C(=O)N1CCN(C)C(=O)C1)CC2	ZINC000564337040	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
CN(CCNC(C)=O)C(=O)C(=O)N2CCN(C(=O)Cn1cnnn1)CC2	ZINC000578770667	O=C(Cn1cnnn1)N2CCNCC2
CN(C)C2(CNC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)CC2	ZINC000616342205	O=C(NCC1CC1)C(=O)c2ccc[nH]2
CNc1c(N)n(C)c(=O)n(C)c1=O	ZINC000000402063	O=c1cc[nH]c(=O)[nH]1
Cn1c(=O)[nH]c(=O)c2[nH]c(=O)cnc12	ZINC000000402066	O=c2cnc1[nH]c(=O)[nH]c(=O)c1[nH]2
N[C@H](CC(N)=O)C(=O)Nc2ccc1ccccc1c2	ZINC000000057189	c2ccc1ccccc1c2
O[C@@H]1C[C@@H]3N(C1)C(=O)[C@H]2CNCCN2C3=O	ZINC000014533583	O=C3C1CCCN1C(=O)C2CNCCN23
CCn1cc(C(=O)NC)c(C(=O)NC)n1	ZINC000000001400	c1cn[nH]c1
CN[C@@H](C)CNC(=O)[C@@H]1CCN(C)S1(=O)=O	ZINC000648131786	O=S1(=O)CCCN1
C[C@@H]1CN(C(=O)CNC(=O)CN)CCO1	ZINC000037481658	C1COCCN1
CN[C@@H](C)CNC(=O)[C@@H](C)N1CCN(C)CC1	ZINC000648131934	C1CNCCN1
Nc3nc(OCc1ccccc1)c2[nH]c(=O)[nH]c2n3	ZINC000000021195	O=c3[nH]c2ncnc(OCc1ccccc1)c2[nH]3
Nc3nc(OCc1ccccc1)c2[nH]c(N)nc2n3	ZINC000000021194	C(Oc1ncnc2nc[nH]c12)c3ccccc3
CNS(=O)(=O)NCC(=O)N(C)CCSC	ZINC000332509962	nonring
CN(C)C(=O)NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC000646951296	O=C1CCNC(=O)N1
C[C@H](NC(=O)[C@@H](N)CNC(=O)/C=C/C(N)=O)C(O)=O	ZINC000015219685	nonring
Cn1ccnc1CNC(=O)[C@H]2O[C@@H](CN)[C@H](O)[C@@H](O)[C@H]2O	ZINC000585283760	O=C(NCc1ncc[nH]1)C2CCCCO2
CN(C)[C@H]2CN(CC(=O)N1CCNC(=O)C1)C[C@@H]2O	ZINC000571413859	O=C2CN(C(=O)CN1CCCC1)CCN2
O=C(CCCCN1CCOCC1)NC2=NCC(=O)N2	ZINC000530474725	O=C(CCCCN1CCOCC1)NC2=NCC(=O)N2
NC(=O)NC(=O)C[n+]1ccc(C(N)=O)cc1	ZINC000001920134	c1ccncc1
C[C@]12O[C@](CO)(C=C1)[C@@H]3[C@H]2C(=O)NC3=O	ZINC000000445648	O=C3NC(=O)C2C1OC(C=C1)C23
CN2CCN(C(=O)CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)CC2	ZINC000358410302	O=C(CCNC(=O)C1CCCO1)N2CCNCC2
C[C@]2(NC(=O)C(=O)N[C@]1(C)CCS(=O)(=O)C1)CCS(=O)(=O)C2	ZINC000012600666	O=C(NC1CCS(=O)(=O)C1)C(=O)NC2CCS(=O)(=O)C2
COCCNC(=O)CN2CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)CC2	ZINC000651031797	O=C(C1CCS(=O)(=O)N1)N2CCNCC2
Cc1ccsc1C=Nc2cccc3c(=O)[nH][nH]c(=O)c23	ZINC000000062625	O=c2[nH][nH]c(=O)c3c(N=Cc1cccs1)cccc23
CN([C@@H]1COC[C@H]1O)C(=O)[C@H]3CN(c2cn[nH]c2)C(=O)C3	ZINC000367825692	O=C2CC(C(=O)NC1CCOC1)CN2c3cn[nH]c3
COC(=O)CNC(=O)c1cccc(OC)c1	ZINC000000030031	c1ccccc1
CN(CC(=O)N1CCNCC1)C(=O)Cn2cnnn2	ZINC000036285718	O=C(Cn1cnnn1)NCC(=O)N2CCNCC2
NNc1ccc(S(N)(=O)=O)cc1	ZINC000000152965	c1ccccc1
C[C@@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)NCCF	ZINC000517748503	C1CCNC1
OC[C@@H](O)[C@@H]2O[C@@H](Oc1ccccc1)[C@@H](O)[C@H](O)[C@@H]2O	ZINC000004403681	C2CCC(Oc1ccccc1)OC2
NC(=O)c1cccnc1N3CCN(C(=O)CNC(=O)[C@@H]2CCCN2)CC3	ZINC000583992226	O=C(CNC(=O)C1CCCN1)N3CCN(c2ccccn2)CC3
CNC(=O)C[C@@]1(O)CCCN(C(=O)CNS(=O)(=O)CCOC(C)C)C1	ZINC000644040207	C1CCNCC1
Fc2ccc(S(=O)(=O)Nc1ccccc1)cc2	ZINC000000029197	O=S(=O)(Nc1ccccc1)c2ccccc2
CC[C@H]2C(=O)NC(SCC(=O)Nc1ncccn1)=NC2=O	ZINC000000286744	O=C(CSC1=NC(=O)CC(=O)N1)Nc2ncccn2
NC(=O)CN([C@@H]1CCNC1)C(=O)[C@@H]2COCCO2	ZINC000055297813	O=C(NC1CCNC1)C2COCCO2
CCCS(=O)(=O)N2CCN(C(=O)c1cccc(N(=O)=O)c1)CC2	ZINC000000120128	O=C(N1CCNCC1)c2ccccc2
COc2nncc(c1cnnc(SC)n1)n2	ZINC000000061027	c2nncc(c1cnncn1)n2
CCn2c(=O)n(CC)c3cc(S(=O)(=O)N1CCOCC1)ccc23	ZINC000000111301	O=c3[nH]c2ccc(S(=O)(=O)N1CCOCC1)cc2[nH]3
CCNS(=O)(=O)[C@@H]1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C1	ZINC000367509081	C1CCNC1
NC(=O)CN1CCCCC1=O	ZINC000000517177	O=C1CCCCN1
CN(CCN(C)C(=S)NN)C(=S)NN	ZINC000006437463	nonring
CN2C(=O)C[C@H](N1CCC(C(N)=O)CC1)C2=O	ZINC000000181384	O=C2CC(N1CCCCC1)C(=O)N2
Cc2n[nH]c(SCC(=O)Nc1sccc1C(N)=O)nc2=O	ZINC000003304441	O=C(CSc1nc(=O)cn[nH]1)Nc2cccs2
O=C(NN1CCOCC1)NC(=O)c2csc(N(=O)=O)c2	ZINC000000143345	O=C(NN1CCOCC1)NC(=O)c2ccsc2
O[C@H]2C[C@@H](O)CN(C(=O)CCC(=O)N1CCOCC1)C2	ZINC000674806464	O=C(CCC(=O)N1CCOCC1)N2CCCCC2
CN2CCN(C(=O)C(=O)NCC(=O)N1CCCCC1)[C@@H](CN)C2	ZINC000642733822	O=C(CNC(=O)C(=O)N1CCNCC1)N2CCCCC2
C[N@@](CCO)C[C@@H]2CN(C(=O)c1sccc1S(N)(=O)=O)C[C@@H]2CO	ZINC000091460910	O=C(N1CCCC1)c2cccs2
CCN(CC)S(=O)(=O)c2ccc([C@@H]1CNC(=O)C1)cc2	ZINC000000116847	O=C2CC(c1ccccc1)CN2
Nc1nonc1NC(=O)CO[C@@H]2CN3CCC2CC3	ZINC000000053410	O=C(COC1CN2CCC1CC2)Nc3cnon3
COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000000267485	c1ccccc1
CNS(=O)(=O)NCC(=O)N1CCCN(S(C)(=O)=O)CC1	ZINC000407994865	C1CNCCNC1
CC2(C)CC(=O)C(=CNNc1n[nH]c(=O)[nH]c1=O)C(=O)C2	ZINC000000078285	O=C1CCCC(=O)C1=CNNc2n[nH]c(=O)[nH]c2=O
COC(=O)C(NC=O)C(=O)OC	ZINC000000393500	nonring
COC(=O)C1=CNN[C@@H]1C(=O)NC2CCCCC2	ZINC000000040822	O=C(NC1CCCCC1)C2NNC=C2
CNS(=O)(=O)NCC(=O)N1CCC[C@H]1Cn2ccnn2	ZINC000332604447	C2CNC(Cn1ccnn1)C2
CS(=O)(=O)N2CCC(CS(=O)(=O)NCCNC(=O)C1CC1)CC2	ZINC000530482126	O=C(NCCNS(=O)(=O)CC1CCNCC1)C2CC2
CN2C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)CC2=O	ZINC000625048651	O=C2CC(NC(=O)CN1CC(=O)NC1=O)CN2
CN2C(=O)C1(OCC(CO)(N(=O)=O)CO1)c3ccccc23	ZINC000000088182	O=C2Nc1ccccc1C23OCCCO3
CN3CCN(c1ncnc2nc[nH]c12)CC3	ZINC000000213869	C3CN(c1ncnc2nc[nH]c12)CCN3
Cc2ccc(NS(=O)(=O)c1ccc(Cl)c(C(O)=O)c1)cc2	ZINC000000049975	O=S(=O)(Nc1ccccc1)c2ccccc2
CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/C(O)=O)CC1	ZINC000000066628	C1CNCCN1
C[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)N2CCC[C@H]2C(O)=O	ZINC000013541084	O=C(CNC(=O)c1ccccc1)NCC(=O)N2CCCC2
CC2(C)OC[C@H](Cn1ccc(=O)[nH]c1=O)O2	ZINC000000105358	O=c2ccn(CC1COCO1)c(=O)[nH]2
CN(C)S(=O)(=O)NCC(=O)N2CCN(Cc1nnc[nH]1)CC2	ZINC000616551940	C2CN(Cc1nnc[nH]1)CCN2
Nc3nc2N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CC=c2c(=O)n3	ZINC000095863287	O=c3ncnc2N(C1CCCO1)CC=c23
O=C(NC(=O)c2nnc(c1ccccc1)o2)N3CCOCC3	ZINC000000107607	O=C(NC(=O)c2nnc(c1ccccc1)o2)N3CCOCC3
Cn4c(=O)n(C)c3nc2N(c1ccc(F)cc1)C(=O)Cn2c3c4=O	ZINC000000053086	O=C3Cn1c(nc2[nH]c(=O)[nH]c(=O)c12)N3c4ccccc4
O=S2(=O)CC(c1ccccc1)CS(=O)(=O)C2	ZINC000000086696	O=S2(=O)CC(c1ccccc1)CS(=O)(=O)C2
CS(=O)(=O)N2CCN(CCNC(=O)[C@]1(O)CCCNC1)CC2	ZINC000662688327	O=C(NCCN1CCNCC1)C2CCCNC2
CCc2nn(C)c1c(=O)c(=O)c1n(C)[nH]2	ZINC000000071506	O=c1c(=O)c2[nH][nH]cn[nH]c12
CCN1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1=O	ZINC000653030908	O=C1CCCN1
Cc2nn(C)c1c(=O)c(=O)c1n(C)[nH]2	ZINC000000071502	O=c1c(=O)c2[nH][nH]cn[nH]c12
Cc2nn(Cc1nn[nH]n1)c(C)c2Br	ZINC000000125980	C(c1nn[nH]n1)n2cccn2
CC2=C[C@@]1(O)OCCN(CCO)C1=CC2=O	ZINC000000079737	O=C2C=CC1OCCNC1=C2
Cn4c(=O)n(C)c3n(C)c(=O)c2cc1ccccc1nc2c3c4=O	ZINC000000161542	O=c1[nH]c(=O)c4c([nH]1)[nH]c(=O)c3cc2ccccc2nc34
CC[C@@](C)(NC(=O)CN3c1cccc2cccc(c12)S3(=O)=O)C#C	ZINC000000033788	O=S1(=O)Nc2cccc3cccc1c23
NS(=O)(=O)c2ccc(CCNC(=S)NNCCN1CCNCC1)cc2	ZINC000028121971	S=C(NCCc1ccccc1)NNCCN2CCNCC2
CCS(=O)(=O)NCCNC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000676290248	C1CNCCN1
Cn2c(NC(=O)\C=C\c1ccco1)cc(=O)n(C)c2=O	ZINC000000475895	O=C(Nc1cc(=O)[nH]c(=O)[nH]1)C=Cc2ccco2
COc2nc(N)nc3n([C@H]1C[C@H](O)[C@@H](CO)O1)cnc23	ZINC000000057411	C3COC(n1cnc2cncnc12)C3
CCCc1c(C(=O)OCC)nnn1c2nonc2N	ZINC000000062838	c2cn(c1cnon1)nn2
C[C@@H]1C[C@@H](NC(=O)N(C)C)N(C)C(=O)N1	ZINC000000053445	O=C1NCCCN1
CC[C@@]1(C)OC(=O)N(CCO)[C@@]1(C)O	ZINC000000051154	O=C1NCCO1
CCS(=O)(=O)N(C)CCCNC(=O)NCCNS(=O)(=O)N(C)C	ZINC000665017004	nonring
Cn2c(=O)ccn(CC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)c2=O	ZINC000139066838	O=C(Cn1ccc(=O)[nH]c1=O)NC2CCCNC2
COC(=O)c2sc(N1CCOCC1)c(C#N)c2N	ZINC000000125185	C2CN(c1cccs1)CCO2
COC(=O)C3=C2C(=O)N(c1ccccc1)C(=O)[C@]2(C)NN3	ZINC000000049350	O=C2C1NNC=C1C(=O)N2c3ccccc3
O=C(N1CCOCC1)c3ccc(C(=O)N2CCOCC2)nc3	ZINC000000474414	O=C(N1CCOCC1)c3ccc(C(=O)N2CCOCC2)nc3
NC(=N)NC(=N)Nc1ccc(S(N)(=O)=O)cc1	ZINC000006021177	c1ccccc1
CCOC(=O)CNC(=O)CC(=O)NC	ZINC000332474287	nonring
NC[C@@H]3CN(C(=O)C(=O)N1CCCC[C@@H]1CN2CCOCC2)CCO3	ZINC000583928582	O=C(N1CCOCC1)C(=O)N2CCCCC2CN3CCOCC3
NS(=O)(=O)N2CCN(C(=O)C[C@@H]1COCCN1)CC2	ZINC000129057479	O=C(CC1COCCN1)N2CCNCC2
FC(F)(F)c1n[nH]c(=S)n1Cc2cccnc2	ZINC000000039784	S=c1[nH]ncn1Cc2cccnc2
OCN3C2C1N(COCN1C(=O)N2CO)C3=O	ZINC000005382684	O=C1NC2NC(=O)N3COCN1C23
O=C(Nc1c[nH]c(=O)[nH]c1=O)c2ccco2	ZINC000000039786	O=C(Nc1c[nH]c(=O)[nH]c1=O)c2ccco2
CO[C@@](C)(CO)CNC(=O)Cn1cncn1	ZINC000655211143	c1nc[nH]n1
O=C(N[C@@H](C(=O)c1ccccc1)n2ccc(=O)[nH]c2=O)c3ccccc3	ZINC000000081632	O=C(NC(C(=O)c1ccccc1)n2ccc(=O)[nH]c2=O)c3ccccc3
CC(C)NS(=O)(=O)NCCNS(=O)(=O)N(C)C	ZINC000332452847	nonring
NC(=O)CN(CC(N)=O)S(=O)(=O)CCc1c(F)cccc1F	ZINC000624969353	c1ccccc1
O=C2C[C@@H](N1C(=O)CCC1=O)[C@H]3CO[C@@H]2O3	ZINC000000333144	O=C2CC(N1C(=O)CCC1=O)C3COC2O3
CCNC(=O)[C@@H](C)NS(=O)(=O)[C@@H](C)C(=O)N(C)C	ZINC000332436915	nonring
CN(C)c2nc(N(C)C)nc(N1CC(=O)N(N)C1=N)n2	ZINC000000082466	N=C1NC(=O)CN1c2ncncn2
CN(C)C(=S)N(C#N)c1nc(N(C)C)nc(N(C)C)n1	ZINC000000082465	c1ncncn1
N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000000057505	c2ccc1[nH]ccc1c2
COc2ccc(C(=O)OCC[N+]1(C)CCOCC1)cc2	ZINC000000215710	O=C(OCCN1CCOCC1)c2ccccc2
CCOC2C(=C)C(=O)c1cc(=O)n(C)cc1C2=O	ZINC000000008262	C=C2CC(=O)c1c[nH]c(=O)cc1C2=O
CCN(CC)c2nc1N(CC)CCn1c(=O)n2	ZINC000000270507	O=c2ncnc1NCCn12
CN(CC(C)(C)CN)C(=O)C(=O)N2CCN1CCOC[C@@H]1C2	ZINC000332689086	C2CN1CCOCC1CN2
NCCNC(=O)CN1CCNC(=O)CC1	ZINC000062099954	O=C1CCNCCN1
CCOC(=O)[C@@H]3CCC[N@@](CCC(=O)Nc2ccc1OCOc1c2)C3	ZINC000000176221	O=C(CCN1CCCCC1)Nc3ccc2OCOc2c3
COC(=O)C2[C@@H](c1ccc(OCC(N)=O)cc1)NC(=O)N=C2C	ZINC000000073810	O=C2NC(c1ccccc1)CC=N2
CN1CCC[C@@H](NC(=O)CCNS(C)(=O)=O)C1=O	ZINC000530645924	O=C1CCCCN1
CO[C@@H]2[C@H](C)[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C2(C)C	ZINC000583921886	O=C(NC1CCC1)C(=O)N2CCNCC2
N=C(NCCN1CCNC(=O)C1)N2CCOCC2	ZINC000262152748	N=C(NCCN1CCNC(=O)C1)N2CCOCC2
CCCNC(=O)CNC(=O)C(=O)NCC(=O)N(C)C	ZINC000340465954	nonring
Cn2cc(S(=O)(=O)NCCN1CCNCC1)cn2	ZINC000036296402	O=S(=O)(NCCN1CCNCC1)c2cn[nH]c2
NN(CCO)C(=S)NCc1ccc(Cl)cc1	ZINC000000104981	c1ccccc1
O=C2C[C@@H](C(=O)NCC(=O)N1CCNCC1)CN2	ZINC000123061614	O=C2CC(C(=O)NCC(=O)N1CCNCC1)CN2
CCS(=O)(=O)NCC(=O)N2CC[C@@H](N1CCNCC1)C2	ZINC000584230323	C2CC(N1CCNCC1)CN2
CNS(=O)(=O)c2cn(CC(=O)N1CCCC1)cc2S(=O)(=O)NC	ZINC000009224905	O=C(Cn1cccc1)N2CCCC2
Cn3c(N2CCN(CCc1ccccc1)CC2)cc(=O)n(C)c3=O	ZINC000000015120	O=c3cc(N2CCN(CCc1ccccc1)CC2)[nH]c(=O)[nH]3
NN(CCN(N)C(N)=NN(=O)=O)C(N)=NN(=O)=O	ZINC000038807895	nonring
NC(=O)c2noc(C(=O)c1ccccc1)c2N	ZINC000000140934	O=C(c1ccccc1)c2ccno2
Cn1cc(I)c(=O)n(C)c1=O	ZINC000000154993	O=c1cc[nH]c(=O)[nH]1
Cn2cc(S(=O)(=O)NC1CC(N)C1)c(=O)n(C)c2=O	ZINC000036265945	O=c2[nH]cc(S(=O)(=O)NC1CCC1)c(=O)[nH]2
COc2ccc(NC(=O)Cn1cc(N(=O)=O)cn1)cc2	ZINC000000037044	O=C(Cn1cccn1)Nc2ccccc2
CCCc2cnc1n(C)c(=O)n(C)c(=O)c1n2	ZINC000000332369	O=c2[nH]c(=O)c1nccnc1[nH]2
COC[C@H](NS(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC)C(=O)OC	ZINC000530485541	C1CCCC1
O=C(COCC(=O)N1CCOCC1)NCC(=O)N2CCOCC2	ZINC000005224524	O=C(COCC(=O)N1CCOCC1)NCC(=O)N2CCOCC2
O[C@@]2(C(=O)N[C@H]1CCCNC1=O)CCCNC2	ZINC000662541865	O=C(NC1CCCNC1=O)C2CCCNC2
Cn2cc(Br)c(n1c(=O)ccc1=O)n2	ZINC000000081968	O=c1ccc(=O)n1c2cc[nH]n2
O=C(Nc1ccccc1)OC2CNC(=NN(=O)=O)NC2	ZINC000000198987	N=C2NCC(OC(=O)Nc1ccccc1)CN2
O[C@H]1CS(=O)(=O)C[C@H]1NNc2c(=O)nc3ccc(N(=O)=O)cc23	ZINC000100543357	O=c2nc1ccccc1c2NNC3CCS(=O)(=O)C3
CN(NO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)c2ccccc2	ZINC000004127869	C2CCC(ONNc1ccccc1)OC2
CN(CCS(C)(=O)=O)CC(=O)N1CCNCC1	ZINC000038031392	C1CNCCN1
CNS(=O)(=O)CCNC(=O)CS(=O)(=O)C(C)(C)C	ZINC000332461900	nonring
Cc1cc(C)n(C[C@@H](N)C(N)=O)c(=O)n1	ZINC000127801292	O=c1nccc[nH]1
COC(=O)c1nccn2CCS(=O)(=O)N=c12	ZINC000000102755	O=S2(=O)CCn1ccncc1=N2
CC(C)NC(=O)CN(C)C(=O)C(=O)NCCN	ZINC000042600819	nonring
CCCOC(=O)c2ccc(NC(=O)CSc1n[nH]c(=O)[nH]c1=O)cc2	ZINC000002606995	O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc2ccccc2
CNS(=O)(=O)NC1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1	ZINC000665009362	C1CCNCC1
C[S@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC000017046537	O=c1cc[nH]c(=O)[nH]1
CN2[C@@H]1[C@@H](N(C)C(=O)N1COC(C)=O)N(COC(C)=O)C2=O	ZINC000000356430	O=C2NC1NC(=O)NC1N2
COC(=O)c1sccc1N(C)S(C)(=O)=O	ZINC000000125438	c1ccsc1
CCc2nc1c(=O)[nH]c(=O)c1c3cc(OC)c(OC)cc23	ZINC000000187946	O=c2[nH]c(=O)c3c1ccccc1cnc23
Cn1cccc1CNC(=O)Cn3c(=O)c2ccccc2c3=O	ZINC000000131003	O=C(Cn2c(=O)c1ccccc1c2=O)NCc3ccc[nH]3
Cc2ccc(NN=C1NC(CO)(CO)COC1=O)cc2	ZINC000000440425	O=C1OCCNC1=NNc2ccccc2
CCOC(=O)Cc2nnc(c1nnc(CC(=O)OCC)o1)o2	ZINC000000121191	c2nnc(c1nnco1)o2
CC(C)OC[C@H](N)C(=O)N1CCN(CCS(N)(=O)=O)CC1	ZINC000662482567	C1CNCCN1
OCCN(Cc1ccccc1)S(=O)(=O)c2ccccc2	ZINC000000029386	O=S(=O)(NCc1ccccc1)c2ccccc2
NC(=O)C[C@@H]2CN(C(=O)C(=O)NC[C@@H]1CCCN1)CCO2	ZINC000627406014	O=C(NCC1CCCN1)C(=O)N2CCOCC2
CNc2nc(N1CCOCC1)nc(C(N)=O)n2	ZINC000000530533	C2CN(c1ncncn1)CCO2
C[C@H]2N(C(=O)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1)CN(C)C2=O	ZINC000647572497	O=C2CN(C(=O)C(=O)N1CCOCC1)CN2
CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CNCCO1	ZINC000662660918	C1COCCN1
CCCNCCNC(=O)Cn1ncn(C)c1=O	ZINC000646882750	O=c1[nH]cn[nH]1
CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H](O)[C@@H]1CCCO1	ZINC000625384807	C1CCOC1
Cc2ccc(S(=O)(=O)NCCC(=O)N1CCCCC1)cc2	ZINC000000042124	O=C(CCNS(=O)(=O)c1ccccc1)N2CCCCC2
NC(=O)CN2C(=O)[C@@](O)(CC(=O)C=Cc1ccco1)c3ccccc23	ZINC000000565371	O=C(CC1C(=O)Nc2ccccc12)C=Cc3ccco3
CC(=O)Nc1ccc(S(=O)(=O)N(CC#N)CC#N)cc1	ZINC000000255578	c1ccccc1
Nc1ncnc2n(COC(CO)CO)cc(Br)c12	ZINC000000003901	c2ncc1cc[nH]c1n2
CO[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C[C@@H]23	ZINC000658569623	O=C(N1CCCC1)C(=O)N3CC2CCS(=O)(=O)C2C3
C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(O)=O	ZINC000000156034	c1ccccc1
Cn2c(=O)n(CC(N)=O)c1ccccc1c2=O	ZINC000000533847	O=c2[nH]c(=O)c1ccccc1[nH]2
NC(=O)c1cnn2c(N)c(C#N)cnc12	ZINC000000124441	c2cnc1ccnn1c2
Cn2cc(NC(=O)CNc1ccc(C(O)=O)cc1)c(=O)n(C)c2=O	ZINC000001627330	O=C(CNc1ccccc1)Nc2c[nH]c(=O)[nH]c2=O
O=C(CCn2[nH]c(=O)c1ccccc1c2=O)N3CCOCC3	ZINC000000319455	O=C(CCn2[nH]c(=O)c1ccccc1c2=O)N3CCOCC3
OCC(O)(CO)CNC[C@H](O)CS(O)(=O)=O	ZINC000216646146	nonring
CCOC(=O)Cn2cnc1sc(C(N)=O)c(C)c1c2=O	ZINC000000149881	O=c1[nH]cnc2sccc12
Nc2cc(Nc1ccc(S(N)(=O)=O)cc1)ncn2	ZINC000000394592	N(c1ccccc1)c2ccncn2
CN2C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N2	ZINC000577637008	O=C(CNS(=O)(=O)c1ccccc1)NC2CNNC2=O
C[N@]2CC[C@@](O)(CNS(=O)(=O)C1COC1)C2	ZINC000581979442	O=S(=O)(NCC1CCNC1)C2COC2
CC(=O)O[C@@H]1NC(=O)[C@H](OC(C)=O)NC1=O	ZINC000001584128	O=C1CNC(=O)CN1
O=C3CN(CCNC(=O)N2CCN(C(=O)Cn1cnnn1)CC2)CCN3	ZINC000273029500	O=C3CN(CCNC(=O)N2CCN(C(=O)Cn1cnnn1)CC2)CCN3
O=C1CNCCN1[C@@H]3CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C3	ZINC000653130906	O=C1CNCCN1C3CCCN(C(=O)C2CCS(=O)(=O)N2)C3
O=C2CN(C(=O)[C@@H]1CSCN1)CCN2	ZINC000019510882	O=C2CN(C(=O)C1CSCN1)CCN2
CCO[C@@H]2CCCN(C(=O)C(=O)N1CCN(C)C[C@@H]1CN)C2	ZINC000643577400	O=C(N1CCCCC1)C(=O)N2CCNCC2
CN(C)S(=O)(=O)N3CC(Nc2nc(=O)c1c[nH][nH]c1n2)C3	ZINC000624709305	O=c2nc(NC1CNC1)nc3[nH][nH]cc23
Cn1nnnc1SCC(=O)Nc2cccc(N(=O)=O)c2	ZINC000000058446	O=C(CSc1nnn[nH]1)Nc2ccccc2
NCc1[nH]cc(CCC(O)=O)c1CC(O)=O	ZINC000000056609	c1cc[nH]c1
Cc2nc1ccccc1c(=O)n2NC(=O)c3ccccc3N(=O)=O	ZINC000000182484	O=C(Nn2cnc1ccccc1c2=O)c3ccccc3
CC(C)NCCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1	ZINC000583922040	C1CNCCN1
Cn2c(NC(=O)COc1ccccc1)cc(=O)n(C)c2=O	ZINC000000267223	O=C(COc1ccccc1)Nc2cc(=O)[nH]c(=O)[nH]2
Cc3cc(C)n(CC(=O)NCc1n[nH]c(=O)c2ccccc12)n3	ZINC000000053279	O=C(Cn1cccn1)NCc2n[nH]c(=O)c3ccccc23
CCOC(=O)C(Cc1c[nH]c(=O)[nH]c1=O)(NC(C)=O)C(=O)OCC	ZINC000001708263	O=c1cc[nH]c(=O)[nH]1
Nc3nc2NC(=O)C[C@H](c1ccccc1)n2n3	ZINC000000085618	O=C3CC(c1ccccc1)n2ncnc2N3
CC(C)(C)Nc2nc(SCC(N)=O)nc(N1CCOCC1)n2	ZINC000000621400	C2CN(c1ncncn1)CCO2
COc1coc([C@@H](O)CN(=O)=O)cc1=O	ZINC000000480733	O=c1ccocc1
CN2C(=O)C[C@@H](NC(=O)CN1CC(=O)NC1=O)C2=O	ZINC000564757264	O=C2CC(NC(=O)CN1CC(=O)NC1=O)C(=O)N2
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1SC[C@@H](O)CN	ZINC000004027791	C1CCOCC1
N[C@@H]2CCN([C@@H]1O[C@H](CO)[C@H](O)[C@H]1F)C(=O)N2	ZINC000504704948	O=C1NCCCN1C2CCCO2
NCC(=O)NCC(=O)N1CCN(CC#C)CC1	ZINC000037822835	C1CNCCN1
O=C(CNC(=O)N2CCN(C(=O)N1CCNCC1)CC2)NCC#N	ZINC000599925175	O=C(N1CCNCC1)N2CCNCC2
CCOC(=O)C(Sc1nc(N(C)C)nc(N(C)C)n1)=C(C)O	ZINC000000616322	c1ncncn1
CN(C)CCN1CNC(NS(C)(=O)=O)=NC1	ZINC000040387230	C1NCN=CN1
CN(CCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1)S(=O)(=O)c2ccc(F)cc2	ZINC000625357587	O=S(=O)(CCNS(=O)(=O)c1ccccc1)N2CCCC2
CN(C)/N=C/c2ccc1non(=O)c1c2	ZINC000000162764	O=n1onc2ccccc12
CN(C)C(=O)CNC(=O)C(=O)N1CCN(CCO)CC1	ZINC000445929200	C1CNCCN1
COc3ccc(N2C(=O)C[C@@H](Nc1ccc(CCO)cc1)C2=O)cc3	ZINC000000077382	O=C2CC(Nc1ccccc1)C(=O)N2c3ccccc3
CC[C@@H](O)CN2CCN(C(=O)C(=O)N1C[C@H](C)NC(=O)C1)CC2	ZINC000410535404	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
C[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)S(C)(=O)=O	ZINC000557722890	C1CNCCN1
COC(=O)CCN(C)S(=O)(=O)N1CCN(S(N)(=O)=O)CC1	ZINC000088770081	C1CNCCN1
O=C2C[C@@H](C(=O)NC1CNC1)CN2CCN3CCOCC3	ZINC000152453469	O=C2CC(C(=O)NC1CNC1)CN2CCN3CCOCC3
CC(=O)C1=C(O)C(=O)N(CC(N)=O)[C@@H]1c2ccc(N(=O)=O)cc2	ZINC000000443991	O=C2NC(c1ccccc1)C=C2
C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2	ZINC000625613346	O=C(N1CCOCC1)C(=O)N2CCOCC2
C=CCn3c(=S)[nH]c2cc(C(=O)N1CCOCC1)ccc2c3=O	ZINC000000211069	O=C(N1CCOCC1)c3ccc2c(=O)[nH]c(=S)[nH]c2c3
O=C(NC1CNC1)C(=O)N3CCN(C(=O)C(=O)N2CCCC2)CC3	ZINC000517342728	O=C(NC1CNC1)C(=O)N3CCN(C(=O)C(=O)N2CCCC2)CC3
Cc2c(NC(=O)[C@@H]1CCCC[C@@H]1C(O)=O)cccc2N(=O)=O	ZINC000000038646	O=C(Nc1ccccc1)C2CCCCC2
CNS(=O)(=O)CC[C@@H](N)C(=O)OC	ZINC000238310258	nonring
O[C@@]13NC(=N)N[C@]1(O)c2ccccc2C3=O	ZINC000000052389	N=C1NC3C(N1)c2ccccc2C3=O
CC[C@@H](Sc1nnc(C)c(=O)[nH]1)C(=O)Nc2ccc(Cl)cn2	ZINC000000052380	O=C(CSc1nncc(=O)[nH]1)Nc2ccccn2
OCC[C@@H](CO)Nc2ccc1OCOc1c2	ZINC000000040460	C2Oc1ccccc1O2
CS(=O)(=O)N2CCN(S(=O)(=O)N1C[C@@H](O)C[C@@H](O)C1)CC2	ZINC000676863722	O=S(=O)(N1CCCCC1)N2CCNCC2
CCOC(=O)[C@@H]1OS(=O)O[C@H]1C(=O)OCC	ZINC000000319934	O=S1OCCO1
O=c2[nH]c1ccccc1n2CCCN4CCN(c3cnccn3)CC4	ZINC000000020732	O=c2[nH]c1ccccc1n2CCCN4CCN(c3cnccn3)CC4
CO[C@H]2C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C2	ZINC000628056660	O=C(NC1CCC1)C(=O)Nc2cn[nH]c2
O=c3cc(CNCn2c(=O)c1ccccc1c2=O)[nH]c(=O)[nH]3	ZINC000020031250	O=c3cc(CNCn2c(=O)c1ccccc1c2=O)[nH]c(=O)[nH]3
OC[C@H]3O[C@@H](OC(=O)CC2=c1ccccc1=NC2)[C@H](O)[C@@H](O)[C@@H]3O	ZINC000306120955	O=C(CC2=c1ccccc1=NC2)OC3CCCCO3
NC(=O)CCN[C@@H]1CCS(=O)(=O)C1	ZINC000036923062	O=S1(=O)CCCC1
CC(=O)CC(=O)ON1C(=O)CCC1=O	ZINC000000154503	O=C1CCC(=O)N1
Nc2ncnc3[nH]c(SCC(=O)NCc1ccco1)nc23	ZINC000000029013	O=C(CSc2nc1cncnc1[nH]2)NCc3ccco3
OCCS(=O)(=O)c3ccc(NC=c2c(=O)[nH]c(=O)n(c1ccccc1)c2=O)cc3	ZINC000006196339	O=c2[nH]c(=O)c(=CNc1ccccc1)c(=O)n2c3ccccc3
CN(CC(=O)N1CCNCC1)C(=O)CCn2cncn2	ZINC000036285732	O=C(CCn1cncn1)NCC(=O)N2CCNCC2
NC(=O)Cn2cc(C(=O)NCC1(C(N)=O)CCOCC1)nn2	ZINC000363338079	O=C(NCC1CCOCC1)c2c[nH]nn2
OCc3cc(=O)c(O)c([C@@H](Nc1ncccn1)c2ccc(F)cc2)o3	ZINC000000038255	O=c3ccoc(C(Nc1ncccn1)c2ccccc2)c3
NC(=O)CN3CCN(C(=O)c1cnn2CCCc12)CC3=O	ZINC000622691701	O=C3CN(C(=O)c1cnn2CCCc12)CCN3
CC(=O)NCCNC(=O)CCC(=O)N2CCN(CCN1CCCC1)CC2	ZINC000605293763	C2CCN(CCN1CCNCC1)C2
COC(=O)c1cc(Br)c(=O)n(N)c1	ZINC000000504096	O=c1cccc[nH]1
COc1ccc(N(=O)=O)cc1Cn2cc(F)c(=O)[nH]c2=O	ZINC000000186955	O=c2ccn(Cc1ccccc1)c(=O)[nH]2
COc2ccc(C(O)=C(C(C)=O)C1=NCCN1)cc2	ZINC000000096792	C2CN=C(C=Cc1ccccc1)N2
NS(=O)(=O)c2ccc(n1nnc(CO)c1CO)cc2	ZINC000001724145	c2ccc(n1ccnn1)cc2
OC2(C(=O)NCCN1CCNCC1)CNC2	ZINC000662400660	O=C(NCCN1CCNCC1)C2CNC2
NC(=O)CN2CCN(C(=O)COC[C@@H]1CCCO1)CC2=O	ZINC000622691655	O=C2CN(C(=O)COCC1CCCO1)CCN2
C[C@@H]2CN(C(=O)N1CCOCC1)C[C@@H](C)O2	ZINC000000030270	O=C(N1CCOCC1)N2CCOCC2
COc1ccc(C)cc1NS(=O)(=O)Cc2ccccc2	ZINC000000030276	O=S(=O)(Cc1ccccc1)Nc2ccccc2
CCN(CC)c2ccc(Nc1[nH]c(=O)nnc1C)cc2	ZINC000000114347	O=c2nncc(Nc1ccccc1)[nH]2
CN(C)C(=O)CN2CCN(C(=O)CN(C)[C@H]1CNC[C@@H]1O)CC2	ZINC000563214856	O=C(CNC1CCNC1)N2CCNCC2
COc1ccccc1C(=O)C[C@H](N)C(O)=O	ZINC000000006274	c1ccccc1
C[C@@H]2CN(C(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)C[C@@H](C(N)=O)O2	ZINC000625650690	O=C(N1CCOCC1)C(=O)N2CCOCC2
CC(=O)O[C@@H]1[C@@H](OC(C)=O)N(C(C)=O)C(=O)N1C(C)=O	ZINC000000190133	O=C1NCCN1
CN[C@H]2CCCN(C(=O)C(=O)N(C)C1CC(O)C1)C2	ZINC000332498857	O=C(NC1CCC1)C(=O)N2CCCCC2
CNC(=O)CN(C)C(=O)[C@@H]1C[C@@H](O)CN1	ZINC000037271526	C1CCNC1
NC(=O)c1ccccc1OCC(=O)N2CCOCC2	ZINC000000205693	O=C(COc1ccccc1)N2CCOCC2
NC(=O)CNC(=O)C(=O)N1CCNCC1	ZINC000036904439	C1CNCCN1
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CO)C(=O)NC)C1	ZINC000530483501	C1CCNCC1
CNS(=O)(=O)CCNC(=O)N(C)CCN(C)C	ZINC000332453160	nonring
COC(=O)CCN(C)S(=O)(=O)N[C@@H]1COC[C@H]1O	ZINC000322946325	C1CCOC1
Fc2cccc(CC(=O)NCC(=O)NNC(=O)C(=O)NC1CC1)c2	ZINC000044947300	O=C(CNC(=O)Cc1ccccc1)NNC(=O)C(=O)NC2CC2
O=c2n1CCS(=O)(=O)c1nc3ccccc23	ZINC000000069162	O=c2n1CCS(=O)(=O)c1nc3ccccc23
O=c2[nH]cc(S(=O)(=O)N1CCNCC1)c(=O)[nH]2	ZINC000019929684	O=c2[nH]cc(S(=O)(=O)N1CCNCC1)c(=O)[nH]2
COC(=O)c1cc(=O)nc2ccc(Cl)nn12	ZINC000000153237	O=c2ccn1ncccc1n2
COC(=O)CN(C#N)c1nc(NC(C)C)nc(OC)n1	ZINC000000282953	c1ncncn1
CCOC(=O)COc2ccc(S(=O)(=O)N1CCOCC1)cc2	ZINC000000470778	O=S(=O)(N1CCOCC1)c2ccccc2
COC(=O)[C@@H](O)CNC(=O)[C@@](C)(O)C(C)C	ZINC000332435481	nonring
CC(=O)OCc1c(C)n(C)c(=O)n(C)c1=O	ZINC000000385714	O=c1cc[nH]c(=O)[nH]1
CN(C)CCN2CCN(C(=O)N=c1nc[nH]n1C)CC2=O	ZINC000650096786	O=C2CN(C(=O)N=c1nc[nH][nH]1)CCN2
CC(C)N1CNS(=O)(=O)c2cnccc12	ZINC000000019119	O=S2(=O)NCNc1ccncc12
OC[C@@H]4O[C@H](n2cnc3c(NCc1ccco1)ncnc23)[C@H](O)[C@@H]4O	ZINC000000057381	C4COC(n2cnc3c(NCc1ccco1)ncnc23)C4
OC(=O)CNC(=O)Cc1c[nH]c2ccccc12	ZINC000000057380	c2ccc1[nH]ccc1c2
Cn3cc(S(=O)(=O)NC2CCN(S(=O)(=O)N1CCOCC1)CC2)cn3	ZINC000605319791	O=S(=O)(NC2CCN(S(=O)(=O)N1CCOCC1)CC2)c3cn[nH]c3
Fc3ccc2c(=O)n(N1CCOCC1)c(=O)c2c3	ZINC000000079860	O=c2n(N1CCOCC1)c(=O)c3ccccc23
CNC(=O)NCCNC(=O)[C@@H]2O[C@H](n1ccc(=O)[nH]c1=O)[C@@H](O)[C@H]2O	ZINC000255966842	O=c2ccn(C1CCCO1)c(=O)[nH]2
COC[C@@H](CNC(=O)C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)OC	ZINC000419631900	O=S(=O)(C1CNC1)N2CCNCC2
CS(=O)(=O)N2CCN(CCNC(=O)C(=O)N[C@@H]1CCNC1)CC2	ZINC000627294069	O=C(NCCN1CCNCC1)C(=O)NC2CCNC2
CCOC(=O)CCS(=O)(=O)NCCN1CCC(O)CC1	ZINC000321394240	C1CCNCC1
COC(=O)C2CCN(C(=O)N1CCOCC1)CC2	ZINC000000192146	O=C(N1CCCCC1)N2CCOCC2
CC[N@@](CCO)CCNC(=O)C(=O)NCC(=O)N(C)C	ZINC000340466400	nonring
C[C@@H](C(N)=O)n2c(=O)c1ccccc1c2=O	ZINC000000307319	O=c1[nH]c(=O)c2ccccc12
COC(=O)c2cnn(CC(=O)N1C[C@H](O)[C@@H](O)C1)c2	ZINC000600218932	O=C(Cn1cccn1)N2CCCC2
CNS(=O)(=O)NCC(=O)NCCC[N@@]1CCC[C@@H]1C(=O)N(C)C	ZINC000517952879	C1CCNC1
CN2N=C(C(=O)N1CCN(CCO)CC1)CCC2=O	ZINC000035187930	O=C2CCC(C(=O)N1CCNCC1)=NN2
S=C2NCN(CCN1CNC(=S)NC1)CN2	ZINC000020160796	S=C2NCN(CCN1CNC(=S)NC1)CN2
O=S(=O)(C[C@@H]1CCCO1)NC3CCN(S(=O)(=O)N2CCOCC2)CC3	ZINC000605319865	O=S(=O)(CC1CCCO1)NC3CCN(S(=O)(=O)N2CCOCC2)CC3
CCNC(=O)NC(=O)[C@@H](C)N1CC(=O)NC[C@H]1C(=O)OC	ZINC000447903917	O=C1CNCCN1
N[C@@H](Cc1ccc(N(=O)=O)cc1)C(O)=O	ZINC000000043864	c1ccccc1
CN(C)S(=O)(=O)N2CC(N=c1nc[nH]n1C)C2	ZINC000624708798	C1NCC1N=c2nc[nH][nH]2
NS(=O)(=O)N2CCC[C@@H](C(=O)NCCCN1C(=O)CNC1=O)C2	ZINC000668451526	O=C1CNC(=O)N1CCCNC(=O)C2CCCNC2
CN(CCN(C)C(=O)CO)C(=O)CO	ZINC000332446693	nonring
CN(C)S(=O)(=O)c2ccc(N)c(C(=O)N1CCN(C)CC1)c2	ZINC000000001255	O=C(N1CCNCC1)c2ccccc2
COCCOCCNC(=O)N2CCN(S(=O)(=O)N1CCOCC1)CC2	ZINC000047049992	O=S(=O)(N1CCNCC1)N2CCOCC2
CS(=O)(=O)N2CCC[C@@H](C(=O)NCc1ccccn1)C2	ZINC000000219409	O=C(NCc1ccccn1)C2CCCNC2
OC[C@H]3O[C@@H](n1c(=O)[nH]c2c(=O)[nH]cnc12)[C@H](O)[C@@H]3O	ZINC000080851226	O=c2[nH]c1c(=O)[nH]cnc1n2C3CCCO3
COC(=O)[C@@H]2[C@@H](O)C=Cc3oc1cc(CO)cc(O)c1c(=O)c23	ZINC000000009082	O=c2c1CCC=Cc1oc3ccccc23
CCOc1ccccc1[C@@H]2C(C(N)=O)=C(C)N=c3nc[nH]n23	ZINC000000071389	C3=CC(c1ccccc1)n2[nH]cnc2=N3
NC(=O)N1CCC[C@H]1C(=O)N3CC(S(=O)(=O)N2CCNCC2)C3	ZINC000648178275	O=C(C1CCCN1)N3CC(S(=O)(=O)N2CCNCC2)C3
OC(=O)CCS(=O)(=O)c1cccc2nonc12	ZINC000000264921	c2ccc1nonc1c2
C[C@H](N(c1ccccc1)S(C)(=O)=O)C(=O)N2CCOCC2	ZINC000000080444	O=C(CNc1ccccc1)N2CCOCC2
Fc3ccc(n2nc1NCCCn1c2=O)cc3	ZINC000000093512	O=c2n1CCCNc1nn2c3ccccc3
CN3C[C@@]2(C)c1ccccc1N(C)[C@@]2(O)C3=O	ZINC000000041036	O=C1NCC2C1Nc3ccccc23
COC(=O)c1coc(C(=O)NC[C@@](C)(O)C(O)=O)c1	ZINC000517741950	c1ccoc1
Cn1nccc1NC(=O)c2ccccc2C(O)=O	ZINC000000116223	O=C(Nc1ccn[nH]1)c2ccccc2
Cc2cc(=O)n(CNC(=O)c1ccco1)cn2	ZINC000000040360	O=C(NCn1cnccc1=O)c2ccco2
CNC(=O)C(=O)N1CC(NS(C)(=O)=O)C1	ZINC000629445664	C1CNC1
C[C@@H](NC(=O)Cn1ncn(C)c1=O)C(=O)NCCN(C)C	ZINC000560564162	O=c1[nH]cn[nH]1
O=C(CN1CCNCC1=O)NCc2cc[nH]n2	ZINC000583932030	O=C(CN1CCNCC1=O)NCc2cc[nH]n2
CC(=O)Nc1nonc1NC(=O)CSc2ccccn2	ZINC000000112695	O=C(CSc1ccccn1)Nc2cnon2
NC(=O)CSc2nnc(c1ccco1)n2N	ZINC000000529938	c2coc(c1nnc[nH]1)c2
COC[C@@]1(C(N)=O)CCCN1CC(O)CN2CCC[C@@]2(COC)C(N)=O	ZINC000643823324	C2CCN(CCCN1CCCC1)C2
Cn1c(C=O)nc2c(=O)n(C)c(=O)n(C)c12	ZINC000000039855	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
S=C(NCCc1ccccc1)Nn2cnnc2	ZINC000000117058	S=C(NCCc1ccccc1)Nn2cnnc2
Cc1ccc(S(=O)(=O)N(CCO)CCO)cc1	ZINC000000056417	c1ccccc1
CCOC(=O)N2CCN(C(=S)NC(=O)c1ccnn1C)CC2	ZINC000000271168	O=C(NC(=S)N1CCNCC1)c2ccn[nH]2
O=C(CN2C(=O)c1ccccc1S2(=O)=O)N3CCOCC3	ZINC000000156547	O=C(CN2C(=O)c1ccccc1S2(=O)=O)N3CCOCC3
CN(C)N3C(=O)C[C@H](N2CCN([C@H]1CC(=O)N(N(C)C)C1=O)CC2)C3=O	ZINC000022924003	O=C3CC(N2CCN(C1CC(=O)NC1=O)CC2)C(=O)N3
Nc1cc(=O)[nH]c(=O)n1c2ccccc2	ZINC000000085286	O=c2ccn(c1ccccc1)c(=O)[nH]2
CCOc3ccc(N2C(=O)C[C@@H](Sc1ccccn1)C2=O)cc3	ZINC000000085285	O=C2CC(Sc1ccccn1)C(=O)N2c3ccccc3
NC(=O)CN2CCN(C(=O)c1ccncc1F)CC2=O	ZINC000622691711	O=C2CN(C(=O)c1ccncc1)CCN2
CCCN2C[C@@H](CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2=O	ZINC000616365131	O=C2CC(CNC(=O)C1=CCCCC1)CN2
CCNC(=O)NC(=O)CN1CCO[C@@H](CN(C)CC(N)=O)C1	ZINC000370230810	C1COCCN1
Cc3nc1c(CCc2c1non2=O)n3O	ZINC000000291856	O=n1onc3c1CCc2[nH]cnc23
CN2CCN(C(=O)C(=O)N1CCO[C@@H](CN)C1)CC2=O	ZINC000580575312	O=C2CN(C(=O)C(=O)N1CCOCC1)CCN2
CN(CC(=O)NC(N)=O)CC1(CO)CC1	ZINC000186782384	C1CC1
CNc2ncnc3ncn([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c23	ZINC000004963028	C3COC(n1cnc2ncncc12)C3
N#CNc3nc(N1CCOCC1)nc(N2CCOCC2)n3	ZINC000000110873	C3CN(c2ncnc(N1CCOCC1)n2)CCO3
NS(=O)(=O)[C@@H]1COCCN1S(N)(=O)=O	ZINC000616642458	C1COCCN1
CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c2cccc(N(=O)=O)c2	ZINC000000042788	O=C2NC=CC(c1ccccc1)N2
CCOc3ccc(N2C(=O)C[C@H](N[C@@H]1CCCCNC1=O)C2=O)cc3	ZINC000000084425	O=C2CC(NC1CCCCNC1=O)C(=O)N2c3ccccc3
O=n1onc3c1c2non(=O)c2c4non(=O)c34	ZINC000004343163	O=n1onc3c1c2non(=O)c2c4non(=O)c34
CC2(C)O[C@H]1[C@H](O)[C@H](O)CO[C@@]1(COS(N)(=O)=O)O2	ZINC000022056143	C2COC1OCOC1C2
COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000557826164	c1ccccc1
CN2CC[C@@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C2=O	ZINC000646959660	O=C(NC1CCNC1=O)C2CCCNC2
CN2C(=O)c1c(C)cccc1[C@@]23CC(=O)NC3=O	ZINC000000012730	O=C3CC2(NC(=O)c1ccccc12)C(=O)N3
C[C@@H](NC(=O)C1=C[C@@H](NC(=O)CCN)[C@@H](O)[C@H](O)C1)C(N)=O	ZINC000003838825	C1CCC=CC1
CN(CCN)C(=O)Cn2c(=O)n(C)c1ncn(C)c1c2=O	ZINC000647088724	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
COC(=O)[C@@H]1OS(=O)(=O)O[C@H]1C(=O)OC	ZINC000001649500	O=S1(=O)OCCO1
CN1CCOCCOCCN(C)C1=O	ZINC000000275665	O=C1NCCOCCOCCN1
COc2ccc(OCCN1C(=O)CNC1=S)cc2	ZINC000000077033	O=C1CNC(=S)N1CCOc2ccccc2
Cn1c(SCC(N)=O)nnc1c2cnccn2	ZINC000000523813	c2cnc(c1nnc[nH]1)cn2
CNC(=O)[C@@H](C)NS(=O)(=O)CCN1CCCC1	ZINC000530483191	C1CCNC1
COc2cccc(\C=c1/c(=O)[nH]c(=O)n(C)c1=O)c2	ZINC000000100683	O=c2[nH]c(=O)c(=Cc1ccccc1)c(=O)[nH]2
NS(=O)(=O)c2ccc(NC(=O)C1CC1)cc2	ZINC000000142557	O=C(Nc1ccccc1)C2CC2
NC(=O)C[C@@H](NC(=O)c1cccs1)C(O)=O	ZINC000000414551	c1ccsc1
Cc1cccnc1NC(=O)N2CCNC2=O	ZINC000000043527	O=C1NCCN1C(=O)Nc2ccccn2
C[C@@H](Oc3cc(O)c2c(=O)cc(c1ccccc1)oc2c3)C(O)=O	ZINC000000044209	O=c2cc(c1ccccc1)oc3ccccc23
CNS(=O)(=O)[C@@H]2CCCN(C[C@@H]1CNCCO1)C2	ZINC000662254893	C2CCN(CC1CNCCO1)CC2
CC[C@H]2N(C(=O)CN1CCNCC1=O)CCNC2=O	ZINC000237068232	O=C2CN(C(=O)CN1CCNCC1=O)CCN2
O=C(N1CCOCC1)c3ccc(C(=O)N2CCOCC2)s3	ZINC000000128829	O=C(N1CCOCC1)c3ccc(C(=O)N2CCOCC2)s3
NC(=O)[C@@H]2OCO[C@H]1[C@@H](CO)OCO[C@H]12	ZINC000001747207	C2OCC1OCOCC1O2
Cn2c(=O)c(C#N)cn(C[C@@H]1CC(C(=O)NN)=NO1)c2=O	ZINC000001388965	O=c2ccn(CC1CC=NO1)c(=O)[nH]2
CO[C@@](C)(CO)CNC(=O)CCn1cc(S(N)(=O)=O)cn1	ZINC000655210402	c1cn[nH]c1
CC(C)(C)NC(=O)c1c(N)non1=O	ZINC000000052650	O=n1ccno1
COc1ccccc1CN2C[C@@H](C(O)=O)CC2=O	ZINC000000266677	O=C1CCCN1Cc2ccccc2
COc2ccc([C@H]1CN(CC(N)=O)C(=O)C1)cc2	ZINC000000297865	O=C2CC(c1ccccc1)CN2
CCN([C@@H](C)CS(C)(=O)=O)C(=O)CNS(=O)(=O)NC	ZINC000332513486	nonring
CCO[C@H]1CN(C)C[C@@H]1NC(=O)c2cc(=O)n(C)c(=O)n2C	ZINC000584903377	O=C(NC1CCNC1)c2cc(=O)[nH]c(=O)[nH]2
COc1nc(NC(C)C)nc(N(C)N)n1	ZINC000000206668	c1ncncn1
O=Cc3c(N1CCOCC1)nc2ccccn2c3=O	ZINC000000083855	O=c2cc(N1CCOCC1)nc3ccccn23
Cc2nccc(CCC(=O)N1CCN(CC(N)=O)C(=O)C1)n2	ZINC000622691510	O=C2CN(C(=O)CCc1ccncn1)CCN2
Cn2c(=O)[nH]c3ccc(C(=O)N1CCN(CC(N)=O)C(=O)C1)cc23	ZINC000622691517	O=C3CN(C(=O)c2ccc1[nH]c(=O)[nH]c1c2)CCN3
OC(=O)CCC(=O)N2CCN(c1ncccn1)CC2	ZINC000000157234	C2CN(c1ncccn1)CCN2
O=C(CNC(=O)c1ccccc1)N2CCOCC2	ZINC000000146076	O=C(CNC(=O)c1ccccc1)N2CCOCC2
C[C@@H](CN1(=O)CC(=O)NC(=O)C1)N2(=O)CC(=O)NC(=O)C2	ZINC000504418922	O=C2CN(=O)(CCN1(=O)CC(=O)NC(=O)C1)CC(=O)N2
C[C@@H](Cn1cncn1)NC(=O)C(=O)N3CCN([C@@H]2CCC[N@@](C)C2)CC3	ZINC000671934998	O=C(NCCn1cncn1)C(=O)N3CCN(C2CCCNC2)CC3
COC(=O)[C@@H]2[C@@H]4O[C@@]3(CN(C[C@@H]1CCCO1)C(=O)[C@H]23)C=C4	ZINC000000490897	O=C2C1CC4OC1(CN2CC3CCCO3)C=C4
CNS(=O)(=O)N2CCN(C(=O)[C@@H]1CC(=O)N1)CC2	ZINC000614502586	O=C2CC(C(=O)N1CCNCC1)N2
NC(=O)CCS(=O)(=O)CCN1CCCC1	ZINC000000188933	C1CCNC1
Cc3cc1COC(=O)c1c(SCC(=O)NCCc2ccccc2)n3	ZINC000000111514	O=C(CSc2nccc1COC(=O)c12)NCCc3ccccc3
CCN(CC)CC(=O)N2CCN(C(=O)C[C@@H]1CC(=O)N1)CC2	ZINC000668233554	O=C2CC(CC(=O)N1CCNCC1)N2
O[C@@]3(CN1CCOCC1)CCN(C(=O)CN2C(=O)CNC2=O)C3	ZINC000257222669	O=C1CNC(=O)N1CC(=O)N3CCC(CN2CCOCC2)C3
Nc1ccccc1C(=O)NCCN2CCNC2=O	ZINC000000152469	O=C1NCCN1CCNC(=O)c2ccccc2
CN(C)c2nc1n(C)c(=O)[nH]c(=O)c1n2C[C@H](O)COc3ccccc3C	ZINC000000633057	O=c3[nH]c(=O)c2n(CCCOc1ccccc1)cnc2[nH]3
COC(=O)\C=c1/sc(NC(C)=O)nc1=O	ZINC000000067781	C=c1scnc1=O
CNC(=O)CN2CCN(C(=O)[C@@H]1COCCN1)CC2	ZINC000088370428	O=C(C1COCCN1)N2CCNCC2
O=C(COc1ccccc1)N2CCNC2=O	ZINC000000138059	O=C(COc1ccccc1)N2CCNC2=O
CCn1c(=O)cc(N)n(CC=C)c1=O	ZINC000000000921	O=c1cc[nH]c(=O)[nH]1
CC(=C)Cn1c(N)cc(=O)n(C)c1=O	ZINC000000000925	O=c1cc[nH]c(=O)[nH]1
CS(=O)(=O)N2CN(S(C)(=O)=O)[C@@H]1NC(=O)N[C@H]12	ZINC000229931365	O=C2NC1NCNC1N2
C[C@@]1(CO)C[C@@H](O)C[N@]1CC(=O)N2CCNC(=O)C2	ZINC000639854111	O=C2CN(C(=O)CN1CCCC1)CCN2
Fc1ccccc1S(=O)(=O)N2CCOCC2	ZINC000000074377	O=S(=O)(N1CCOCC1)c2ccccc2
O[C@@H](COc1ccc(F)cc1)CS(=O)(=O)Cc2ccccc2	ZINC000000074375	O=S(=O)(CCCOc1ccccc1)Cc2ccccc2
COC[C@@]2(C)CN(C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)CCO2	ZINC000625452681	O=C(N1CCOCC1)C(=O)N2CCOCC2
CC(C)(C)C1(C)O[C@@H](C(N)=O)[C@H](C(N)=O)O1	ZINC000000053295	C1COCO1
COc2ccc(CCNC(=O)[C@@H]1CCCNC1=O)cc2OC	ZINC000000192357	O=C1NCCCC1C(=O)NCCc2ccccc2
CNC[C@@H]1C[C@H](F)CN1C(=O)Cn2ccc(=O)[nH]c2=O	ZINC000648132269	O=C(Cn1ccc(=O)[nH]c1=O)N2CCCC2
NC(=S)N/N=C/[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	ZINC000006292544	nonring
COc1cc(S(N)(=O)=O)c(OC)cc1N	ZINC000000394316	c1ccccc1
CC(=O)COC(=O)Cn2c(=O)c1cccc(N(=O)=O)c1c2=O	ZINC000000572068	O=c1[nH]c(=O)c2ccccc12
CN(C)CCCNC(=O)CS(=O)(=O)N(C)C	ZINC000332508785	nonring
CCOC(=O)CSc2nc1n(C)c(=O)n(C)c(=O)c1n2CC=C	ZINC000000287492	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
O=C(OC1Cn2n(C1)c(=O)ccc2=O)c3ccccc3	ZINC000000303174	O=C(OC1Cn2n(C1)c(=O)ccc2=O)c3ccccc3
Cn3ccnc(N2CCN(C[C@@H]1CNCCO1)CC2)c3=O	ZINC000662263041	O=c1[nH]ccnc1N3CCN(CC2CNCCO2)CC3
Clc1ccccc1OCC(=O)Nc2c[nH]c(=O)[nH]c2=O	ZINC000000176925	O=C(COc1ccccc1)Nc2c[nH]c(=O)[nH]c2=O
CCc2nnc(NC(=O)[C@@H]1CCCC[C@@H]1C(O)=O)s2	ZINC000000204852	O=C(Nc1nncs1)C2CCCCC2
CCOC(=O)C1(F)CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1	ZINC000370593835	C1CNC1
CN(C)S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]1CCOC1)CC2	ZINC000605318221	O=S(=O)(C1CCOC1)N2CCNCC2
NC(=O)c2ccc[n+](Cc1c[nH]c(=O)[nH]c1=O)c2	ZINC000001692430	O=c2[nH]cc(C[n+]1ccccc1)c(=O)[nH]2
CC(C)(C)NC[C@@H](O)c1ccc(N(=O)=O)cc1	ZINC000000162401	c1ccccc1
CC(C)S(=O)(=O)c2cnc(c1cnccn1)nc2N	ZINC000000149156	c2cnc(c1cnccn1)nc2
CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)CCN1CCCS1(=O)=O	ZINC000647061520	O=S1(=O)CCCN1
Oc3ccc(NC(=O)CN2C(=O)c1ccccc1S2(=O)=O)cc3	ZINC000000007697	O=C(CN2C(=O)c1ccccc1S2(=O)=O)Nc3ccccc3
CC(C)[C@H](N(C)C)C(=O)NCCNS(C)(=O)=O	ZINC000332507567	nonring
CCOC(=O)C3=NO[C@H](COn2c(=O)c1ccccc1c2=O)C3	ZINC000000166241	O=c2n(OCC1CC=NO1)c(=O)c3ccccc23
C[C@@H]2O[C@H](n1cc(F)c(=O)[nH]c1=O)[C@@H](O)[C@H]2O	ZINC000000001332	O=c2ccn(C1CCCO1)c(=O)[nH]2
C[C@H]2N(C(=O)C(=O)NCCC(=O)N1CCN(C)CC1)CN(C)C2=O	ZINC000646981750	O=C2CN(C(=O)C(=O)NCCC(=O)N1CCNCC1)CN2
C[C@@H](CC(O)=O)CC(=O)Nc1nncs1	ZINC000000099756	c1nncs1
C[C@@H]2CN(C[C@H](O)C[N@]1CC[C@@](O)(C(N)=O)C1)C[C@@H](C)O2	ZINC000348205639	C2CCN(CCCN1CCOCC1)C2
Cn3c(=O)n(C)c2nc(c1ccccc1)ncc2c3=O	ZINC000000103224	O=c3[nH]c(=O)c2cnc(c1ccccc1)nc2[nH]3
COC(=O)Cn1c(Cl)nc2n(C)c(=O)n(C)c(=O)c12	ZINC000000176697	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CNC(=O)[C@H](CO)NS(=O)(=O)CCC=C	ZINC000332511246	nonring
CCOC(=O)c4cc(O)c3c(=O)c(C[C@@H]1CO1)cc(C[C@@H]2CO2)c3o4	ZINC000000157832	O=c3c(CC1CO1)cc(CC2CO2)c4occcc34
NCC(=O)NC1CCN(CC(N)=O)CC1	ZINC000037042267	C1CCNCC1
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC(=O)N1CCCCC1	ZINC000607720966	C1CCNCC1
CCN(CC(C)(C)O)C(=O)CNS(=O)(=O)NC	ZINC000332467033	nonring
CC(C)[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O	ZINC000002516284	nonring
Cc1n[nH]c(C)c1S(=O)(=O)N2CCOCC2	ZINC000000428635	O=S(=O)(N1CCOCC1)c2cn[nH]c2
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N3CCN2[C@H](C[C@H](N)C2=O)C3	ZINC000583946234	O=C3CCC2CN(C(=O)NC1CCCCC1)CCN23
Nc2ccn(CCN1[C@@H](CO)SCC1=O)c(=O)n2	ZINC000000022751	O=C1CSCN1CCn2cccnc2=O
NC(=O)NC(=O)CNC[C@@H]1COCCO1	ZINC000037999958	C1COCCO1
CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000400220161	C1CCNC1
OC[C@H]2[C@H](F)[C@@H](n1cc(C=CI)c(=O)[nH]c1=O)[C@@H]2CO	ZINC000000600062	O=c2ccn(C1CCC1)c(=O)[nH]2
Cn2cc(S(=O)(=O)NCCN1CCNC(=O)C1)c(=O)n(C)c2=O	ZINC000272628389	O=C2CN(CCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)CCN2
Cn2cc(C(C)(C)C(=O)N1CCN(CC(N)=O)C(=O)C1)cn2	ZINC000622691722	O=C2CN(C(=O)Cc1cn[nH]c1)CCN2
NS(=O)(=O)c2ccc(NS(=O)(=O)CCc1ccccc1)cc2	ZINC000000434102	O=S(=O)(CCc1ccccc1)Nc2ccccc2
CN(C)CCOCCNC(=O)C(=O)N2CCO[C@H](c1n[nH]c(C)n1)C2	ZINC000583940964	C2COC(c1nc[nH]n1)CN2
OC(=O)c2cc(/N=C/c1cccnc1)ccc2O	ZINC000000039045	C(=Nc1ccccc1)c2cccnc2
COC(=O)[C@@H](CO)NC(=O)Cn1ccc(=O)[nH]c1=O	ZINC000035165430	O=c1cc[nH]c(=O)[nH]1
Cn3c(CN2CCN(C(=O)CN1CCOCC1)CC2)cc(=O)n(C)c3=O	ZINC000010095932	O=C(CN1CCOCC1)N3CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC3
CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1S(N)(=O)=O	ZINC000711244107	O=S1(=O)CCCC1
CN(C)S(=O)(=O)NCCNC(=O)N1CCN(CC(N)=O)C(=O)C1	ZINC000665008770	O=C1CNCCN1
CCN([C@@H]1CC(=O)NC1=O)C(=O)CN2CC(=O)N(C)C2=O	ZINC000624957649	O=C2CC(NC(=O)CN1CC(=O)NC1=O)C(=O)N2
NC(=O)CN(CC(N)=O)C(=O)C1CCNCC1	ZINC000061808738	C1CCNCC1
CNC[C@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1	ZINC000659750151	C1COCCN1
CN(CC(C)(CO)CO)C(=O)C(C)(C)NS(C)(=O)=O	ZINC000332498872	nonring
Nc1nonc1C(=N)NN=Cc2ccccc2	ZINC000000050904	N=C(NN=Cc1ccccc1)c2cnon2
CS(=O)(=O)N[C@@H]1CCN(C(=O)NCC#C)C1	ZINC000116933453	C1CCNC1
COc3ccc(N2CCN([C@@H]1CC(=O)NC1=O)CC2)cc3	ZINC000000547588	O=C3CC(N2CCN(c1ccccc1)CC2)C(=O)N3
CCOC(=O)[C@@H](C)Sc2nc1n(C)c(=O)[nH]c(=O)c1n2C	ZINC000000180695	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
NCC(=O)NCC(=O)Nc1ccnn1C2CNC2	ZINC000725257992	C1NCC1n2cccn2
COCCN([C@H]1CCS(=O)(=O)C1)C(=O)CN(C)C2CNC2	ZINC000357094268	O=C(CNC1CNC1)NC2CCS(=O)(=O)C2
NS(=O)(=O)CCCNS(=O)(=O)C1CCS(=O)(=O)CC1	ZINC000050351795	O=S1(=O)CCCCC1
CCn2c(O)c(C=c1c(=O)n(CC)c(=S)n(CC)c1=O)c(=O)n(CC)c2=S	ZINC000000984612	O=c1[nH]c(=S)[nH]cc1C=c2c(=O)[nH]c(=S)[nH]c2=O
CO[C@@H](C)C(=O)N1CCN(CC(N)=O)C(=O)C1	ZINC000622691182	O=C1CNCCN1
COC(=O)C2=C(c1ccccc1)S(=O)(=O)CCN2C(C)=O	ZINC000000077195	O=S1(=O)CCNC=C1c2ccccc2
CN(C[C@@H]1C[N@@](C)CCO1)CC(=O)NC(N)=O	ZINC000609261326	C1COCCN1
CO[C@H]1CC(C(=O)CO)C[C@H](OC)C1C(=O)OC	ZINC000000401253	C1CCCCC1
Cc2ccc(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)cc2	ZINC000000487720	C2CCC(Oc1ccccc1)OC2
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CNC(=O)C1	ZINC000444187810	O=C1CCCN1
C[C@H]2N(C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)CN(C)C2=O	ZINC000647063389	O=C2CN(C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)CN2
OC[C@@H]2O[C@@H](N1C(=O)CSC1=S)[C@@H](O)[C@@H]2O	ZINC000005566546	O=C1CSC(=S)N1C2CCCO2
NCCS(=O)(=O)N1CCNCC1	ZINC000012363383	C1CNCCN1
C[N@]2CCO[C@@H](C(=O)N[C@H]1CCCNC1=O)C2	ZINC000332922635	O=C1NCCCC1NC(=O)C2CNCCO2
CO[C@@](C)(CO)CNC(=O)c1cn(C)c(=O)[nH]c1=O	ZINC000655210215	O=c1cc[nH]c(=O)[nH]1
CN(C)S(=O)(=O)N1CC(NCCC(=O)NC(N)=O)C1	ZINC000600759295	C1CNC1
COc3ccc2cc1c(=O)n(C)c(=O)n(C)c1nc2c3	ZINC000000088274	O=c3[nH]c(=O)c2cc1ccccc1nc2[nH]3
N[C@H]([C@@H](O)c1ccc(N(=O)=O)cc1)C(O)=O	ZINC000000518959	c1ccccc1
OCC(CO)NC(=O)NCCN1CCNC(=O)C1	ZINC000358574190	O=C1CNCCN1
N[C@@H]3C[C@@H]2CN(CCC(=O)N1CCNCC1)CCN2C3=O	ZINC000570643894	O=C(CCN2CCN1C(CCC1=O)C2)N3CCNCC3
CCOC(=O)Cn1cnc(N(=O)=O)c1	ZINC000000049644	c1c[nH]cn1
Cn2c(N)c(C(=O)CN1CCNC(=O)CC1)c(=O)n(C)c2=O	ZINC000012805451	O=C2CCN(CC(=O)c1c[nH]c(=O)[nH]c1=O)CCN2
OC[C@H]3CN(C(=O)C(=O)N2CCN(c1nccnn1)CC2)CCO3	ZINC000625486263	O=C(N1CCOCC1)C(=O)N3CCN(c2nccnn2)CC3
NC(=O)C[C@@H]1NC(=S)N(CC=C)C1=O	ZINC000000178377	O=C1CNC(=S)N1
Cc2ncc(Cn1c(C)c(CCO)sc1=O)c(N)n2	ZINC000000002152	O=c1sccn1Cc2cncnc2
CN2CC(=O)N(CC(=O)N1CCN(CCO)CC1)C2=O	ZINC000035187910	O=C1CNC(=O)N1CC(=O)N2CCNCC2
Cn1cnc2n(C)c(=O)[nH]c(=O)c12	ZINC000000002151	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
COCC(=O)NC1CN(C(=O)C(=O)NCC(F)(F)CN)C1	ZINC000420146776	C1CNC1
O=C(C[C@@H]1NCCNC1=O)Nc2ccccc2	ZINC000000536609	O=C(CC1NCCNC1=O)Nc2ccccc2
OC[C@@H]3N[C@H](c1c[nH]c2c(=O)[nH]cnc12)[C@H](O)[C@H]3O	ZINC000056834517	O=c2[nH]cnc3c(C1CCCN1)c[nH]c23
C[C@H](N)[C@@H]2CN(C(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)CCO2	ZINC000643546794	O=C(N1CCNCC1)C(=O)N2CCOCC2
OC[C@@H](NC(=O)[C@H]1CCCN1)C(=O)N[C@H](CO)C(=O)N2CCC[C@@H]2C(O)=O	ZINC000255989795	O=C(CNC(=O)C1CCCN1)NCC(=O)N2CCCC2
COc1ccc(NC(C)=O)cc1N(CCO)CCO	ZINC000000404201	c1ccccc1
COC[C@@H](O)CNC(=O)NCCCN(C)S(C)(=O)=O	ZINC000605220163	nonring
CN(CC(N)=O)S(=O)(=O)c1ccccc1	ZINC000000464913	c1ccccc1
CCNc2nc1n(C)c(=O)[nH]c(=O)c1n2CCO	ZINC000000542846	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CCN(C)C(=O)CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	ZINC000671358113	C1CNCCN1
CC(C)CCn1c(N(CCO)CCO)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000067647	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
NC(=O)CNC(=O)c2ccc(C#Cc1ccccc1)o2	ZINC000000128541	C(#Cc1ccco1)c2ccccc2
CCNc2nc1N(CC)CCn1c(=O)n2	ZINC000000245341	O=c2ncnc1NCCn12
C[C@H](CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(O)=O	ZINC000003775143	O=C(NCCc1ccccc1)C2CCCN2
CO[C@@]1(CO)OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004403083	C1CCOCC1
CN3CC[C@@H](C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)S3(=O)=O	ZINC000648178250	O=C(C1CCNS1(=O)=O)N3CC(S(=O)(=O)N2CCNCC2)C3
O=C1CNC(=S)N1Cc2cccnc2	ZINC000000076735	O=C1CNC(=S)N1Cc2cccnc2
CN2C(=O)CN(c1nc(C)cc(C)n1)C2=N	ZINC000000182362	N=C1NC(=O)CN1c2ncccn2
CC(C)(C)c1nnc(NO)n(N)c1=O	ZINC000000390669	O=c1cnnc[nH]1
CC(C)(C)NC(=O)Cn2nnc(c1ccc(S(C)(=O)=O)cc1)n2	ZINC000000111854	c2ccc(c1nn[nH]n1)cc2
OC[C@H](O)Cn1cnc2c(=NO)nc[nH]c12	ZINC000001591018	N=c1nc[nH]c2[nH]cnc12
NC(=S)NNC1[C@H](O)[C@H](O)C(O)C(=O)[C@H]1O	ZINC000004353254	O=C1CCCCC1
NC(=O)C[C@@]2(O)CCCN(C(=O)C(=O)N1CCOCC1)C2	ZINC000644908919	O=C(N1CCCCC1)C(=O)N2CCOCC2
CC(=O)N1CN(C(C)=O)CN(C(C)=O)C1	ZINC000000050340	C1NCNCN1
NC(=O)C[C@@H]2NC(=S)N(Cc1ccccc1)C2=O	ZINC000000270543	O=C1CNC(=S)N1Cc2ccccc2
NS(=O)(=O)N2CCN(C(=O)[C@@H]1CNC(=O)C1)CC2	ZINC000096475186	O=C2CC(C(=O)N1CCNCC1)CN2
COCC(=O)N2CCC[C@@H](N1CCNCC1=O)C2	ZINC000186652119	O=C1CNCCN1C2CCCNC2
Cn3c(\N=C(/C#N)c2nc1ccccc1[nH]2)c(N)c(=O)n(C)c3=O	ZINC000000510150	O=c3cc(N=Cc2nc1ccccc1[nH]2)[nH]c(=O)[nH]3
COC(=O)CN(n1cnnc1)S(=O)(=O)c2ccccc2	ZINC000000315387	O=S(=O)(Nn1cnnc1)c2ccccc2
CCOCCN(C)C(=O)CNS(=O)(=O)NC	ZINC000332503899	nonring
CC(=O)N1CCN(CC(N)=O)C[C@@H](C(N)=O)C1	ZINC000257230001	C1CNCCNC1
CCCN(C)S(=O)(=O)NC[C@H](O)C(=O)OC	ZINC000332503894	nonring
Cn2c(=N)c1nccnc1n(C)c2=O	ZINC000000337841	N=c1[nH]c(=O)[nH]c2nccnc12
Cc1nnc(=O)[nH]c1NCc2ccccn2	ZINC000000150584	O=c2nncc(NCc1ccccn1)[nH]2
O[C@@]13NC(=O)N(CC=C)[C@]1(O)c2ccccc2C3=O	ZINC000000052881	O=C1NC3C(N1)c2ccccc2C3=O
Cc2cc(N1CCOCC1)ccc2\C=N\n3cnnc3	ZINC000000037666	C3CN(c2ccc(C=Nn1cnnc1)cc2)CCO3
NC(=O)OC[C@@H](O)COc1ccc(Cl)cc1	ZINC000000000136	c1ccccc1
CC(C)(C)NC[C@@H](O)COc2cccc1NC(=O)CCc12	ZINC000000000128	O=C2CCc1ccccc1N2
NC(=O)Cn3cnc2sc1CCCc1c2c3=O	ZINC000000144658	O=c2[nH]cnc3sc1CCCc1c23
CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C	ZINC000000050731	c1ccccc1
COC(=O)C(N=Nc1ccccc1)C(=O)OC	ZINC000000050737	c1ccccc1
COc2cc(NS(=O)(=O)N1CCCC1)cc(OC)c2OC	ZINC000000106896	O=S(=O)(Nc1ccccc1)N2CCCC2
CNC(=O)NC2CN(C(=O)COCC(=O)N1CC(NC(=O)NC)C1)C2	ZINC000282533044	O=C(COCC(=O)N1CCC1)N2CCC2
CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCCCOCC=C)CC1	ZINC000668614777	C1CNCCN1
COC(=O)C[C@H]1N(C(C)=O)CCNC1=O	ZINC000000545532	O=C1CNCCN1
Cc2cc(C(=O)Nc1ccc(S(N)(=O)=O)cc1)no2	ZINC000000155310	O=C(Nc1ccccc1)c2ccon2
Nc3nc(CSCc1ccccc1)nc(N2CCOCC2)n3	ZINC000000034291	C3CN(c2ncnc(CSCc1ccccc1)n2)CCO3
C[C@@H]2CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@H](C)CN2CCO	ZINC000616340726	O=C(N1CCNCC1)C2=CCCCC2
COC(=O)C2=C(C)N(c1ccc(S(N)(=O)=O)cc1)C(=O)C2	ZINC000000313173	O=C1CC=CN1c2ccccc2
CN2CCN(C(=O)CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2	ZINC000668676248	O=C(CCNC(=O)C1=CCCCC1)N2CCNCC2
CN3C(=O)CC[C@@H](NC(=O)N2CCN1CCOC[C@@H]1C2)C3=O	ZINC000583931098	O=C3CCC(NC(=O)N2CCN1CCOCC1C2)C(=O)N3
C[C@@]2(O)C[C@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C2	ZINC000616339756	O=C(NC1CCC1)c2cn[nH]c2
COC(=O)c1sccc1n2c(=O)ccc2=O	ZINC000000081922	O=c1ccc(=O)n1c2ccsc2
CN2CCN(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)CC2	ZINC000000467584	S=C(NN1CCNCC1)Nc2ccccc2
CC(=O)N2[C@@H]1NC(=O)N(C(C)=O)[C@@H]1NC2=O	ZINC000000105120	O=C2NC1NC(=O)NC1N2
O=N(=O)N=C3N[C@@H](OCc1ccccc1)[C@H](OCc2ccccc2)N3	ZINC000000201178	N=C3NC(OCc1ccccc1)C(OCc2ccccc2)N3
CN3CCN(c2ccc(N1CCN(C)CC1)nn2)CC3	ZINC000000190765	C3CN(c2ccc(N1CCNCC1)nn2)CCN3
CNS(=O)(=O)CC(=O)N1CCO[C@@H]([C@@H](C)O)C1	ZINC000622717093	C1COCCN1
CN2C(=O)CN(C(=O)[C@@H](O)Cc1cnn(C)c1)CC2=O	ZINC000584003994	O=C2CN(C(=O)CCc1cn[nH]c1)CC(=O)N2
C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@@](C)(O)CN(C)C	ZINC000332504458	nonring
C[C@@H](N)CNC(=O)CCN2CCN(C(=O)[C@@H]1CCCO1)CC2	ZINC000648128950	O=C(C1CCCO1)N2CCNCC2
CCN(CC)CC(=O)Nc2nn(c1ccccc1)nc2C(N)=O	ZINC000000112882	c2ccc(n1nccn1)cc2
OC2(C(=O)NC[C@@H]1C[C@H](F)CN1)CNC2	ZINC000662780053	O=C(NCC1CCCN1)C2CNC2
C[C@@H](O)CN2CCN(C(=O)[C@@H]1CCNC1=O)CC2	ZINC000668360159	O=C1NCCC1C(=O)N2CCNCC2
CN2C[C@@H](C(=O)NCC#CCNC(=O)[C@@H]1CN(C)C(=O)N1)NC2=O	ZINC000613394551	O=C2NCC(C(=O)NCC#CCNC(=O)C1CNC(=O)N1)N2
NC(=O)CSc1ncc(C#N)c(N)n1	ZINC000000421731	c1cncnc1
CCN=C1NN=C(C(=NOC)C(O)=O)CS1	ZINC000000197671	N=C1NN=CCS1
O=C([C@H]1CCNC1)N3CCC[C@@H](S(=O)(=O)N2CCOCC2)C3	ZINC000517739431	O=C(C1CCNC1)N3CCCC(S(=O)(=O)N2CCOCC2)C3
Cn2c(S(=O)(=O)Cc1ccccc1)nc3n(C)c(=O)n(C)c(=O)c23	ZINC000000536187	O=c3[nH]c(=O)c2[nH]c(S(=O)(=O)Cc1ccccc1)nc2[nH]3
COc3nc(C)nc(NC(=O)c2cnc1ccccc1c2O)n3	ZINC000000043509	O=C(Nc1ncncn1)c3cnc2ccccc2c3
OS(=O)(=O)c2ccc(NN=c1c(=O)[nH]c(=S)n(CC=C)c1=O)cc2	ZINC000002334250	O=c1[nH]c(=S)[nH]c(=O)c1=NNc2ccccc2
C2CNC(N=NC=CN=NC1=NCCCN1)NC2	ZINC000008665440	C2CNC(N=NC=CN=NC1=NCCCN1)NC2
C[C@@H](N(c1ccccc1)S(C)(=O)=O)C(=O)Nc2ccccc2C	ZINC000000080387	O=C(CNc1ccccc1)Nc2ccccc2
Cn1nc(C(N)=O)c2c(N)ncnc12	ZINC000001711733	c2ncc1cn[nH]c1n2
CN(CC(=O)N1CCN(CC(N)=O)C(=O)C1)c2ncnc3[nH]cnc23	ZINC000622690917	O=C3CN(C(=O)CNc1ncnc2[nH]cnc12)CCN3
NCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]2CCS(=O)(=O)N2	ZINC000653135516	O=C(C1CCS(=O)(=O)N1)N2CCCCC2
NC(=O)CN2CCN(C(=O)C1CCC1)CC2=O	ZINC000622690911	O=C2CN(C(=O)C1CCC1)CCN2
CCN1C2C(NC1=O)NC(=O)N2CC	ZINC000000289613	O=C2NC1NC(=O)NC1N2
COC(=O)c1nonc1NCn2nnc3ccccc23	ZINC000000266653	C(Nc1cnon1)n2nnc3ccccc23
C[C@H]2N(C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)CN(C)C2=O	ZINC000646999797	O=C2CN(C(=O)C(=O)NCCN1CCNCC1)CN2
Cc2cn([C@@H]1C[C@@H](O)[C@H](COC(N)=O)O1)c(=O)[nH]c2=O	ZINC000001592320	O=c2ccn(C1CCCO1)c(=O)[nH]2
Cn2ncc3c(NNS(=O)(=O)c1ccccc1)ncnc23	ZINC000000116949	O=S(=O)(NNc1ncnc2[nH]ncc12)c3ccccc3
O[C@]4(CC(=O)c2ccc(n1cnnn1)cc2)C(=O)Nc3ccccc34	ZINC000000116948	O=C(CC1C(=O)Nc2ccccc12)c4ccc(n3cnnn3)cc4
C[C@@H]2CN(C(=O)NC[C@@H]1COCCN1C)C[C@@H](C(N)=O)O2	ZINC000624729750	O=C(NCC1COCCN1)N2CCOCC2
COc2c(OC[C@@H](O)C(C)(C)O)ccc3c(OC)c1ccoc1nc23	ZINC000000035526	c3ccc2nc1occc1cc2c3
O=C(CCNS(=O)(=O)c1cccc2nonc12)NC3CCCC3	ZINC000000212839	O=C(CCNS(=O)(=O)c1cccc2nonc12)NC3CCCC3
COc2c1C[C@H]([C@@](C)(O)CO)Oc1nc3ccccc23	ZINC000000035529	C3Cc2cc1ccccc1nc2O3
NC(=O)CN2CCN(C(=O)CN1CCCS1(=O)=O)CC2=O	ZINC000622691067	O=C2CN(C(=O)CN1CCCS1(=O)=O)CCN2
Cc1cc(CN=NC(N)=S)ncc1O	ZINC000000017094	c1ccncc1
Cc1ccnc(CN=NC(N)=S)c1N	ZINC000000017096	c1ccncc1
CCn2ccc(NS(=O)(=O)c1ccc(N)cc1)nc2=O	ZINC000000002092	O=c2nc(NS(=O)(=O)c1ccccc1)cc[nH]2
NC(N1CCOCC1)=C(N=Nc2ccccc2)C#N	ZINC000000067816	C2CN(C=CN=Nc1ccccc1)CCO2
C[N@]2CC[C@@](O)(CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N)C2	ZINC000582073996	O=S(=O)(NCC1CCNC1)c2ccccc2
O=N(=O)c2ccc(S(=O)(=O)NCCc1ccncc1)cc2	ZINC000000109367	O=S(=O)(NCCc1ccncc1)c2ccccc2
N[C@@H](CCC(=O)NC2(C(O)=O)C1CC3CC(C1)CC2C3)C(O)=O	ZINC000002020578	C1C2CC3CC1CC(C2)C3
Cn2c(=O)n(C)c1n(CC(=O)NC(C)(C)C)c(=O)n(C)c1c2=O	ZINC000000316831	O=c2[nH]c(=O)c1[nH]c(=O)[nH]c1[nH]2
OC(=O)Cn1nnnc1SCC(=O)Nc2ccccc2	ZINC000000316839	O=C(CSc1nnn[nH]1)Nc2ccccc2
CCCNC(=O)CNC(=O)[C@H]2CN(CCN1CCOCC1)C(=O)C2	ZINC000363666662	O=C1CCCN1CCN2CCOCC2
Cn2nc(c1ccccc1)nc3c(=O)n(C)c(=O)nc23	ZINC000000267655	O=c3nc2[nH]nc(c1ccccc1)nc2c(=O)[nH]3
COC(=O)[C@@H](NC(=O)c1ccccn1)[C@@H](C)O	ZINC000000517939	c1ccncc1
O=C2C[C@@H](C(=O)NCCNS(=O)(=O)c1cccnc1)CN2	ZINC000533464179	O=C2CC(C(=O)NCCNS(=O)(=O)c1cccnc1)CN2
NC(=O)CC(=O)N2CC(S(=O)(=O)N1CCNCC1)C2	ZINC000580894851	O=S(=O)(C1CNC1)N2CCNCC2
OCCN(CCO)C(=O)CSc1nnc3c(n1)[nH]c2ccccc23	ZINC000000050131	c1ccc2c(c1)[nH]c3ncnnc23
CS(=O)(=O)N3CCN(CC(=O)N1CCN2[C@@H](C1)C(=O)NC2=O)CC3	ZINC000540907529	O=C(CN1CCNCC1)N2CCN3C(C2)C(=O)NC3=O
CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)N2CCNCC2	ZINC000644098502	O=C(CNC(=O)C1CCCN1)N2CCNCC2
Cc2nc1nc(S(N)(=O)=O)nn1c(C)c2C	ZINC000000033373	c2cnc1ncnn1c2
CS(=O)(=O)c2nc(S(C)(=O)=O)c1[nH]c(=O)[nH]c1n2	ZINC000001621847	O=c2[nH]c1cncnc1[nH]2
Nc2nc(N)nc(NCCS(=O)(=O)NC1CC1)n2	ZINC000623847215	O=S(=O)(CCNc1ncncn1)NC2CC2
Cc1onc2n(C)c(=O)n(C)c(=O)c12	ZINC000000086446	O=c2[nH]c(=O)c1conc1[nH]2
Cc1ccc(N(=O)=O)cc1N(CC(N)=O)S(C)(=O)=O	ZINC000000555117	c1ccccc1
COC(=O)CCC(=O)Nc1ccc(C(N)=O)cc1	ZINC000000125201	c1ccccc1
CNc2nc1c(C)cccn1c(=O)c2C=O	ZINC000000081634	O=c1ccnc2ccccn12
NC(=O)CSCC(=O)N2CCN(S(=O)(=O)C1CC1)CC2	ZINC000600229093	O=S(=O)(C1CC1)N2CCNCC2
O=C2N[C@H](CC(=O)N1CCOCC1)C(=O)N2	ZINC000001298530	O=C2NC(CC(=O)N1CCOCC1)C(=O)N2
Nc2ncnc3n([C@@H]1C[C@@H](O)[C@H](CO)O1)c(Br)nc23	ZINC000000158249	C3COC(n1cnc2cncnc12)C3
Nc1ccccc1C(=O)NN2CCOCC2	ZINC000000037279	O=C(NN1CCOCC1)c2ccccc2
Cc2cc(S(=O)(=O)NC1CC1)ccc2n3cnnn3	ZINC000000112243	O=S(=O)(NC1CC1)c3ccc(n2cnnn2)cc3
CS(=O)(=O)N2CCN(C(=O)c1cccnc1)CC2	ZINC000000115568	O=C(N1CCNCC1)c2cccnc2
NS(=O)(=O)Cc1noc2ccccc12	ZINC000000004321	c2ccc1oncc1c2
C[C@@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)NCCN(C)C	ZINC000556905987	nonring
O=C(CCn2c(=O)c1ccccc1c2=O)N3CCOCC3	ZINC000000133776	O=C(CCn2c(=O)c1ccccc1c2=O)N3CCOCC3
COC[C@H](C)S(=O)(=O)N1C[C@H](O)[C@H](CO)C1	ZINC000399704578	C1CCNC1
CC(=O)Oc2c1c(C)[nH]nc1nc3n(C)c(=O)n(C)c(=O)c23	ZINC000000108505	O=c3[nH]c(=O)c2cc1c[nH]nc1nc2[nH]3
CCn1c(SCC(C)=O)nc2n(C)c(=O)n(C)c(=O)c12	ZINC000000351120	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Nc1nnnn1Cc2cccc(N(=O)=O)c2	ZINC000000267885	C(c1ccccc1)n2cnnn2
Oc2ccc(\C=N\n1cnnc1)cc2O	ZINC000000032460	C(=Nn1cnnc1)c2ccccc2
CCN2CCN(C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)CC2=O	ZINC000625520015	O=C2CN(C(=O)C(=O)N1CCOCC1)CCN2
OC(=O)CCn3c(=O)c2ccc(NC(=O)COc1ccccc1)cc2c3=O	ZINC000001109763	O=C(COc1ccccc1)Nc3ccc2c(=O)[nH]c(=O)c2c3
CN(C)Cc2cc(S(=O)(=O)c1ccc(S(N)(=O)=O)s1)ccc2O	ZINC000001542489	O=S(=O)(c1ccccc1)c2cccs2
Cc3ccc(Cn1nnc2c(=O)n(CC(N)=O)cnc12)cc3	ZINC000000252708	O=c2[nH]cnc3n(Cc1ccccc1)nnc23
NC(=O)CN1CCN(C(=O)CO)CC1=O	ZINC000622691724	O=C1CNCCN1
CC(CO)(CO)NC(=O)[C@@H]1CNC(=O)C1	ZINC000134923356	O=C1CCCN1
Cc1cccn(=O)c1S(N)(=O)=O	ZINC000000334961	O=n1ccccc1
CC[N@@](C)C[C@@H](O)CN2CCN1[C@H](CNC(=O)C1=O)C2	ZINC000647966686	O=C2NCC1CNCCN1C2=O
CCOC(=O)c2sc1nc(C)n(N)c(=O)c1c2C	ZINC000000040424	O=c1[nH]cnc2sccc12
CNS(=O)(=O)CCNS(=O)(=O)c2sc1CNCCc1c2C(O)=O	ZINC000067742861	C2Cc1ccsc1CN2
CCOC(=O)[C@@](C)(O)CNS(C)(=O)=O	ZINC000332467015	nonring
COC(OC)[C@H]2O[C@H](CO)[C@@H](n1cc(C)c(=O)[nH]c1=O)[C@@H]2O	ZINC000001654720	O=c2ccn(C1CCOC1)c(=O)[nH]2
CC3(O)CC(C(=O)N2CCN(S(=O)(=O)N1CCOCC1)CC2)C3	ZINC000648126219	O=C(C1CCC1)N3CCN(S(=O)(=O)N2CCOCC2)CC3
C[C@@]2(O)C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C2	ZINC000616339926	O=C(NC1CCC1)C2CCCNC2
CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]([C@@H](C)O)C(O)=O)cc1	ZINC000008754738	c1ccccc1
CCn3c(=O)[nH]c2cc(C(=O)N1CCOCC1)ccc2c3=O	ZINC000000533582	O=C(N1CCOCC1)c3ccc2c(=O)[nH]c(=O)[nH]c2c3
COC(=O)CN(C)C(=O)C=C1CC(=O)NC(=O)N1	ZINC000035219538	C=C1CC(=O)NC(=O)N1
CN(C[C@@H]2CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CCO2)CC(N)=O	ZINC000646962139	O=C2CC(C(=O)N1CCOCC1)NC(=O)N2
CN(CCO)C(=O)C(=O)N2CCN(c1nccnn1)CC2	ZINC000625351318	C2CN(c1nccnn1)CCN2
CN2CCO[C@@H](CNC(=O)C(=O)N(C)CCN1CCCS1(=O)=O)C2	ZINC000647023563	O=C(NCCN1CCCS1(=O)=O)C(=O)NCC2CNCCO2
CO[C@H]1O[C@H](C=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000001717390	C1CCOCC1
O=c1ccc(=O)n1c2ccccc2n3c(=O)ccc3=O	ZINC000000096913	O=c1ccc(=O)n1c2ccccc2n3c(=O)ccc3=O
CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H]1CO	ZINC000310192803	C1CCNC1
CC(C)C(=O)N[C@H]3N[C@@H]1[C@@H](NCN1[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N3	ZINC000575626424	O=C1NCNC2C1NCN2C3CCCO3
CC(C)C[C@@H](NC(=O)NCCN1CCOCC1)C(O)=O	ZINC000015989381	C1COCCN1
Cc1nnnn1CC(=O)N2CCCCC2	ZINC000000339070	O=C(Cn1cnnn1)N2CCCCC2
C[C@@H]2CN(C(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)C[C@@H](C(N)=O)O2	ZINC000625564646	O=C(N1CCCC1)C(=O)N2CCOCC2
CN(CC(=O)N1CCNCC1)S(=O)(=O)C[C@@H]2CNCCO2	ZINC000631901582	O=C(CNS(=O)(=O)CC1CNCCO1)N2CCNCC2
OC(=O)[C@H](CC(=O)NCc1ccccc1)[C@@H]2CCCO2	ZINC000000031894	O=C(CCC1CCCO1)NCc2ccccc2
CS(=O)(=O)N1CCC[C@@H]1C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2	ZINC000600243230	O=C(C1CCCN1)N2CCCCC2
CCN(CC)c2ccc(\C=N\n1nnnc1N)c(O)c2	ZINC000000084368	C(=Nn1cnnn1)c2ccccc2
CS(=O)(=O)NCCN(C1CC1)C(=O)CN2CC(=O)NC2=O	ZINC000556807955	O=C(CN1CC(=O)NC1=O)NC2CC2
OC[C@H]2O[C@@H](NC(=O)NC(=O)c1ccccc1)[C@H](O)[C@@H](O)[C@@H]2O	ZINC000006578607	O=C(NC1CCCCO1)NC(=O)c2ccccc2
O[C@@H]2CO[C@@H](n1ccc(=O)[nH]c1=O)[C@@H](O)[C@@H]2O	ZINC000004127126	O=c2ccn(C1CCCCO1)c(=O)[nH]2
N[C@@H](CC(O)=O)c1cccn1c2ccc(N(=O)=O)cc2	ZINC000000032764	c2ccc(n1cccc1)cc2
O=c2ccn(CN1CCCCC1)c(=O)n2CN3CCCCC3	ZINC000000097086	O=c2ccn(CN1CCCCC1)c(=O)n2CN3CCCCC3
OCCS(=O)(=O)c1nccnc1C#N	ZINC000000168044	c1cnccn1
CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC000668288709	O=C1CCNC(=O)N1
O=C(Cn1cnc(N(=O)=O)n1)NCc2ccco2	ZINC000000181496	O=C(Cn1cncn1)NCc2ccco2
NS(=O)(=O)N2CCC[C@@H](C(=O)NCCS(=O)(=O)NCC1CCC1)C2	ZINC000668523211	O=C(NCCS(=O)(=O)NCC1CCC1)C2CCCNC2
O=S(=O)(CCNS(=O)(=O)N1CCOCC1)NCC2CCC2	ZINC000068938759	O=S(=O)(CCNS(=O)(=O)N1CCOCC1)NCC2CCC2
CN(C)CCN1C[C@H](C(=O)NCCOCC(N)=O)CC1=O	ZINC000443798875	O=C1CCCN1
O[C@@H]1CNCC[C@H]1NC(=O)CN3CCN(c2ncccn2)CC3	ZINC000077356416	O=C(CN2CCN(c1ncccn1)CC2)NC3CCNCC3
CC(=O)N[C@H]2[C@@H](c1ccccc1)NNC2=O	ZINC000000306067	O=C2CC(c1ccccc1)NN2
CN(C)c2ccc(\C=N/[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)cc2	ZINC000005611186	C2COCC(N=Cc1ccccc1)C2
CN(C)S(=O)(=O)NCC(=O)N2CCN(C(=O)C1CC1)C2	ZINC000616382641	O=C(C1CC1)N2CCNC2
NC(=N)NC(=N)NCCS(O)(=O)=O	ZINC000031792617	nonring
Cn1c(=O)ccn(CC(=O)NCC(C)(C)C(O)=O)c1=O	ZINC000126993897	O=c1cc[nH]c(=O)[nH]1
CCOC(=O)NC(=S)N1CCOCC1	ZINC000000172717	C1COCCN1
NS(=O)(=O)N2CCN(CCC(=O)N1CCOCC1)CC2	ZINC000407991498	O=C(CCN1CCNCC1)N2CCOCC2
C[C@@H](NC(=O)C2=C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1)[C@@H](O)[C@H](O)C2)C(N)=O	ZINC000003838832	O=C(NC1CCCC=C1)C2CCCN2
CCCc1nn(C)c(C(N)=O)c1N(=O)=O	ZINC000000168939	c1cn[nH]c1
COc2cc(OC)nc(Oc1ccc(NC(C)=O)cc1)n2	ZINC000000041464	O(c1ccccc1)c2ncccn2
NC(=O)CN2CCN(C/C=C/CN1CCN(CC(N)=O)C(=O)C1)CC2=O	ZINC000660776499	O=C2CN(CC=CCN1CCNC(=O)C1)CCN2
O=C(COc1ccc(C#N)cc1)N/N=C/c3ccc2OCOc2c3	ZINC000000118039	O=C(COc1ccccc1)NN=Cc3ccc2OCOc2c3
CCOC(=O)c3ccc(Nc2nc1nonc1nc2NC)cc3	ZINC000000033499	N(c1ccccc1)c3cnc2nonc2n3
Cn1cccc1\C=c2\c(=O)[nH]c(=O)n(C)c2=O	ZINC000000033498	O=c2[nH]c(=O)c(=Cc1ccc[nH]1)c(=O)[nH]2
CN(C)c2noc(CCC(=O)N1CCN(CC(N)=O)C(=O)C1)n2	ZINC000622691300	O=C2CN(C(=O)CCc1ncno1)CCN2
CC(C)NC(=O)N[C@@H]1CCCCNC1=O	ZINC000000141615	O=C1CCCCCN1
Cc2nn(c1ccccc1)n(=O)c2C(N)=O	ZINC000000111496	O=n1ccnn1c2ccccc2
CC(C)CN(C#N)c3nc(N1CCOCC1)nc(N2CCOCC2)n3	ZINC000000111498	C3CN(c2ncnc(N1CCOCC1)n2)CCO3
COC(=O)C(NC(C)=O)C(=O)OC	ZINC000000410222	nonring
CN(C)[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000104251178	C1CCOCC1
CNS(=O)(=O)CCNC(=O)N2CCN(C1CC1)C(=O)C2	ZINC000407953318	O=C1CNCCN1C2CC2
CC(=O)ON1C(C)(C)C=C(C(N)=O)C1(C)C	ZINC000000093550	C1NCC=C1
CS(=O)(=O)N1CCNC[C@@H]1S(N)(=O)=O	ZINC000616638096	C1CNCCN1
CCOC(=O)Cc2csc(NS(=O)(=O)c1ccccc1)n2	ZINC000000116157	O=S(=O)(Nc1nccs1)c2ccccc2
NC(=O)[C@H]2C[C@@H](NC(=O)NCC(=O)N1CCNCC1)C2	ZINC000652201410	O=C(NCC(=O)N1CCNCC1)NC2CCC2
CC(=O)N1CC(=O)NC1=S	ZINC000000051183	O=C1CNC(=S)N1
C[C@@H](CO)NC(=O)c1ccccc1C(=O)N[C@@H](C)CO	ZINC000000284365	c1ccccc1
CCOC(=O)C1=C(N)C(=O)N(C)C1	ZINC000000039728	O=C1NCC=C1
CCOC(=O)C1=C(C)NC(=O)C1CC(=O)Nc2ccccc2	ZINC000000067660	O=C(CC1C=CNC1=O)Nc2ccccc2
COC(=O)CS(=O)(=O)CC(=O)OC	ZINC000001560532	nonring
CN(C)CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000000219447	C1CCNCC1
CN(C)c2nc1c(=O)[nH]c(=O)n(C)c1[nH]2	ZINC000000039724	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CN(C)S(=O)(=O)N(C)CC(=O)NCCNC(=O)c1ccn[nH]1	ZINC000557670699	c1cn[nH]c1
CN(CC(=O)N1CCNCC1)S(=O)(=O)c2cncc(C#N)c2	ZINC000319845500	O=C(CNS(=O)(=O)c1cccnc1)N2CCNCC2
Cn2n(C)c(=O)n(c1ccc(N(=O)=O)cc1)c2=O	ZINC000000111876	O=c1[nH][nH]c(=O)n1c2ccccc2
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCCCN)C[C@@H]12	ZINC000659711050	O=S2(=O)CCC1CNCC12
O=C2C[C@H](NCc1ccco1)C(=O)N2CCc3ccccc3	ZINC000000132832	O=C2CC(NCc1ccco1)C(=O)N2CCc3ccccc3
CC(=O)N3CCN(CCNC(=O)[C@]12CNC[C@H]1COC2)CC3	ZINC000653109492	O=C(NCCN1CCNCC1)C23CNCC2COC3
O=N(=O)c1ccccc1\C=N\NS(=O)(=O)c2ccccc2	ZINC000000058698	O=S(=O)(NN=Cc1ccccc1)c2ccccc2
CNC(=O)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000332481523	nonring
COC(=O)[C@@H]1CCCN1C(=O)C=C2CC(=O)NC(=O)N2	ZINC000035178898	O=C2CC(=CC(=O)N1CCCC1)NC(=O)N2
O=C(Cn1nnc(N(=O)=O)n1)c2ccccc2	ZINC000000098368	O=C(Cn1ncnn1)c2ccccc2
CS(=O)(=O)NCCNS(=O)(=O)c1c[nH]nc1N	ZINC000037559337	c1cn[nH]c1
CN(C)S(=O)(=O)N2CCN(C(=O)N1CCOCC1)CC2	ZINC000002709741	O=C(N1CCNCC1)N2CCOCC2
N[C@@H](Cc1cnc[nH]1)C(=O)NCC(O)=O	ZINC000002384936	c1c[nH]cn1
C[C@H]2CN(S(=O)(=O)N1CCOCC1)CCN2S(=O)(=O)N3CCOCC3	ZINC000002886452	O=S(=O)(N1CCOCC1)N3CCN(S(=O)(=O)N2CCOCC2)CC3
Cc1cccnc1NC[C@@H](O)COc2ccccc2	ZINC000000141824	C(CNc1ccccn1)COc2ccccc2
CCS(=O)(=O)NCCS(=O)(=O)N1CC(=O)NC[C@@H]1C(=O)OC	ZINC000447940771	O=C1CNCCN1
O=S1(=O)CCCS(=O)(=O)C1CC2S(=O)(=O)CCCS2(=O)=O	ZINC000004963792	O=S1(=O)CCCS(=O)(=O)C1CC2S(=O)(=O)CCCS2(=O)=O
O=C(Nc2ccc(c1nn[nH]n1)cc2)c4ccc(c3nn[nH]n3)cc4	ZINC000000004680	O=C(Nc2ccc(c1nn[nH]n1)cc2)c4ccc(c3nn[nH]n3)cc4
CC(=O)Nc1ccc(C(=O)N(CC#N)CC#N)cc1	ZINC000000060671	c1ccccc1
COC(=O)C[C@H](N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	ZINC000592050982	C1CNCCN1
OC[C@H]2O[C@@H](n1c(I)c(F)c(=O)[nH]c1=O)[C@H](O)[C@@H]2O	ZINC000035322604	O=c2ccn(C1CCCO1)c(=O)[nH]2
CCOC(=O)n1cc(F)c(=O)[nH]c1=O	ZINC000000007889	O=c1cc[nH]c(=O)[nH]1
CN(C)C(=O)Cn3nc2CN(C(=O)N[C@H]1C[C@H](C(N)=O)C1)CCn2c3=O	ZINC000624624658	O=C(NC1CCC1)N2CCn3c(C2)n[nH]c3=O
COc2cc(S(N)(=O)=O)cc(C(=O)NC[C@H]1CCCN1CC=C)c2OC	ZINC000000601278	O=C(NCC1CCCN1)c2ccccc2
O=c1[nH]c(=S)[nH]c(=O)c1=Cc3ccc(N2CCOCC2)cc3	ZINC000000275620	O=c1[nH]c(=S)[nH]c(=O)c1=Cc3ccc(N2CCOCC2)cc3
NC(=O)[C@H]3C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N1CCOCC1)O2)C3	ZINC000627994150	O=C(NC1CCC1)C3CCC(C(=O)N2CCOCC2)O3
OC3(C(=O)N[C@H]2CN(C1CC1)C(=O)C2)CNC3	ZINC000662609585	O=C2CC(NC(=O)C1CNC1)CN2C3CC3
CN1C(N)=NC(=O)C1(CO)CO	ZINC000000230361	O=C1CNC=N1
O=C(Cn2c(=O)c1ccccc1c2=O)N3CCCC3	ZINC000000110381	O=C(Cn2c(=O)c1ccccc1c2=O)N3CCCC3
CCS(=O)(=O)NCCN[C@@H]1CS(=O)(=O)C[C@@H]1N2CCOCC2	ZINC000533517452	O=S2(=O)CCC(N1CCOCC1)C2
COC(=O)[C@@H](O)CNC(=O)[C@@H]1C(C)[C@H]1C(=O)NC[C@H](O)C(=O)OC	ZINC000597455436	C1CC1
Cc3cccc(NC[C@@H](O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12)c3	ZINC000000618591	O=c3[nH]c(=O)c2n(CCCNc1ccccc1)cnc2[nH]3
COC(=O)\C=c2\sc(N1CCOCC1)nc2=O	ZINC000000098945	C=c2sc(N1CCOCC1)nc2=O
CN2CCO[C@@H](CS(=O)(=O)NC[C@H](O)CN1CCOCC1)C2	ZINC000632122286	O=S(=O)(CC1CNCCO1)NCCCN2CCOCC2
C[C@@H](O)CN[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000037487480	O=S1(=O)CCCC1
OC[C@@H]1O[C@@H](C(=O)NCC(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000026832419	C1CCOCC1
O[C@@H]3C[C@H]2CN(C(=O)CN1CCOCC1=O)CC[N@]2C3	ZINC000655295351	O=C1COCCN1CC(=O)N3CCN2CCCC2C3
COc2ccc(CCn1c(=O)ccc1=O)cc2OC	ZINC000000096637	O=c1ccc(=O)n1CCc2ccccc2
Ic1cn(CC=C)c(=O)[nH]c1=O	ZINC000000195074	O=c1cc[nH]c(=O)[nH]1
CC(=O)NN=Cc2ccc(OCC(=O)N1CCOCC1)cc2	ZINC000000313736	O=C(COc1ccccc1)N2CCOCC2
Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2	ZINC000616368023	O=C(N1CCOCC1)C(=O)c2ccc[nH]2
COc1ccccc1CNS(=O)(=O)N(C)C	ZINC000000030557	c1ccccc1
CCOC(=O)c2nn(c1ccc(OC)cc1)cc2O	ZINC000000142841	c2ccc(n1cccn1)cc2
COCC[N@]2CC[C@@H](NC(=O)C(=O)N1CCNC(=O)C1)C2	ZINC000343885740	O=C2CN(C(=O)C(=O)NC1CCNC1)CCN2
CC(=O)O[C@@H]1[C@@H](OC(C)=O)N(C=O)CN1C=O	ZINC000000242261	C1CNCN1
CN(CC(=O)N1CCNC[C@@](C)(F)C1)[C@@H]2CCS(=O)(=O)C2	ZINC000583934174	O=C(CNC1CCS(=O)(=O)C1)N2CCCNCC2
CO[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)OC1(OC)OC	ZINC000003851431	C1CCOCC1
C[C@H](N2CCN(C(=O)CN1CCOCC1)CC2)C(=O)NC(N)=O	ZINC000025319406	O=C(CN1CCOCC1)N2CCNCC2
CCOC(=O)c3cnn(c1ncnc2n(C)ncc12)c3N	ZINC000000116962	c3cnn(c1ncnc2[nH]ncc12)c3
Cn2ncc3c(=NN1C(=O)CCC1=O)[nH]cnc23	ZINC000000116964	O=C1CCC(=O)N1N=c2[nH]cnc3[nH]ncc23
CC(C)[C@@H](N)CNC(=O)N(CCO)CCN1CCOCC1	ZINC000418394352	C1COCCN1
Cc3cc(NC(=O)CSc1nnnn1c2ccccc2)no3	ZINC000000083815	O=C(CSc1nnnn1c2ccccc2)Nc3ccon3
CNS(=O)(=O)c2ccc1[nH]c(=O)[nH]c1c2	ZINC000000111268	O=c2[nH]c1ccccc1[nH]2
CCS(=O)(=O)N2CCN(C(=O)c1cccc(F)c1)CC2	ZINC000000120085	O=C(N1CCNCC1)c2ccccc2
CCS(=O)(=O)N1CCN(C(=O)CC(C)C)CC1	ZINC000000120080	C1CNCCN1
OC2(O)[C@H](c1ccccc1)OC(=O)C2(O)O	ZINC000004114169	O=C2CCC(c1ccccc1)O2
N[C@H](CC[C@H](N)C(O)=O)C[C@H]2O[C@@H](N1CCC(=O)NC1=O)[C@H](O)[C@@H]2O	ZINC000049018012	O=C2CCN(C1CCCO1)C(=O)N2
OC3(C(=O)N2CCN(C1CC1)C(=O)C2)CNC3	ZINC000662603544	O=C2CN(C(=O)C1CNC1)CCN2C3CC3
CO[C@@H](CN)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O	ZINC000227365514	C1CCNCC1
CC(=O)N[C@@H](CCC(N)=O)C(N)=O	ZINC000002560827	nonring
CCOC(=O)c1cnn(C(=O)OCC)c1N	ZINC000000127735	c1cn[nH]c1
O=C(CNC[C@@H]1CCCO1)N3CC(S(=O)(=O)N2CCNCC2)C3	ZINC000647092363	O=C(CNCC1CCCO1)N3CC(S(=O)(=O)N2CCNCC2)C3
CNC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	ZINC000011616540	nonring
CSc2nc1n(C)c(=O)n(C)c(=O)c1n2C	ZINC000000080109	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Nc2ncc(Br)c(N1CCOCC1)n2	ZINC000000015508	C2CN(c1ccncn1)CCO2
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN2CCN(C)C(=O)C2	ZINC000617887432	O=C2CN(CC(=O)NC1CCS(=O)(=O)C1)CCN2
O=C(CSc2nc1ccccc1[nH]2)Nc3ncccn3	ZINC000000049877	O=C(CSc2nc1ccccc1[nH]2)Nc3ncccn3
OC(=O)COCC(=O)Nc2ccc1OCOc1c2	ZINC000000069534	C2Oc1ccccc1O2
CN(C)S(=O)(=O)N2CC(NC(=O)C(=O)Nc1cccnc1)C2	ZINC000628031484	O=C(NC1CNC1)C(=O)Nc2cccnc2
Cn3c(=O)n(C)c2nc1N(C(C)(C)CO)CCCn1c2c3=O	ZINC000000135654	O=c3[nH]c(=O)c2n1CCCNc1nc2[nH]3
COc1cccc(OC)c1C(=O)Nc3cc2OCOc2cc3C(C)=O	ZINC000000086281	O=C(Nc2ccc1OCOc1c2)c3ccccc3
O=C(CN1CCCS1(=O)=O)N2CCNCC2	ZINC000036809295	O=C(CN1CCCS1(=O)=O)N2CCNCC2
CC(=O)O/N=c2/ccc1n(=O)onc1c2=O	ZINC000000493838	N=c2ccc1n(=O)onc1c2=O
CC(=O)c1ccccc1NC(=O)CSCC(O)=O	ZINC000000102007	c1ccccc1
COC(=O)Cn3cnc2c(C#N)c1CCCCn1c2c3=O	ZINC000000179125	O=c2[nH]cnc3cc1CCCCn1c23
Cn1c(=O)[nH]c(=O)c2n(CC(N)=O)c(Cl)nc12	ZINC000000974762	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
OC[C@@H]2O[C@@H](N1CC(=O)C(=O)NC1=O)[C@@H](O)[C@@H]2O	ZINC000104395201	O=C2CN(C1CCCO1)C(=O)NC2=O
OCCNC(=O)Cn1ccc(=O)[nH]c1=O	ZINC000002586687	O=c1cc[nH]c(=O)[nH]1
COc3ccc(C(=O)CSc1n[nH]c(=O)n1c2ccccc2)cc3	ZINC000000156506	O=C(CSc1n[nH]c(=O)n1c2ccccc2)c3ccccc3
CCn2c(=O)c(=CN1CCOCC1)c(=O)n(CC)c2=S	ZINC000000555688	O=c1[nH]c(=S)[nH]c(=O)c1=CN2CCOCC2
C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)N(C)C(=O)[C@@H](C)NS(C)(=O)=O	ZINC000468932445	nonring
COc2ccc(CC(=O)Nc1nc[nH]n1)cc2	ZINC000000085413	O=C(Cc1ccccc1)Nc2nc[nH]n2
COC(=O)[C@@H](NC(=O)CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C	ZINC000558458465	O=S1(=O)CCCC1
CC(=O)NC[C@@H]3CN(C[C@@H]2CCC1(CNC1)O2)CCO3	ZINC000662254083	C3CN(CC2CCC1(CNC1)O2)CCO3
CN3CCN(c2nc1n(C)c(=O)[nH]c(=O)c1n2CC=C(C)C)CC3	ZINC000000189485	O=c3[nH]c(=O)c2[nH]c(N1CCNCC1)nc2[nH]3
NS(=O)(=O)CCN3CCN(C(=O)N[C@@H]2CCN(C1CCC1)C2=O)CC3	ZINC000625025332	O=C(NC2CCN(C1CCC1)C2=O)N3CCNCC3
CC2(C)Nc1c(ncn1CCO)C(C(N)=O)=N2	ZINC000001855290	C2Nc1[nH]cnc1C=N2
CS(=O)(=O)c1nnnn1c2ccccc2	ZINC000000105992	c2ccc(n1cnnn1)cc2
Cn3c(=O)n(C)c2n(C)c(=O)cc(NCc1ccccc1)c2c3=O	ZINC000000162784	O=c3cc(NCc1ccccc1)c2c(=O)[nH]c(=O)[nH]c2[nH]3
Cc1[nH]c(=O)c(C#N)c(C)c1CSc2ncccn2	ZINC000000129592	O=c2ccc(CSc1ncccn1)c[nH]2
C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O	ZINC000002556600	nonring
O=C(NN1CCOCC1)[C@@H]3COc2ccccc2O3	ZINC000000213532	O=C(NN1CCOCC1)C3COc2ccccc2O3
CC(C)N(CC(=O)Nc1cc(C)on1)S(C)(=O)=O	ZINC000000326503	c1cnoc1
CN3C[C@@H](C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)NC3=O	ZINC000662817270	O=C3NCC(C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)N3
CCOc2ccc([C@@H]1CNC(=O)[C@@H]1C(=O)OC)cc2OCC	ZINC000000140343	O=C2CC(c1ccccc1)CN2
COCCN(C)S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1	ZINC000625624114	C1CNC1
Cn3cc(N2C[C@@H](C(=O)N1CCN(CC(N)=O)CC1)CC2=O)cn3	ZINC000624680480	O=C2CC(C(=O)N1CCNCC1)CN2c3cn[nH]c3
C[C@](N)([C@@H](O)c1ccc(N(=O)=O)cc1)C(O)=O	ZINC000000322434	c1ccccc1
COc2cc(N1CCNCC1)cc(OC)c2OC	ZINC000000155446	C2CN(c1ccccc1)CCN2
O=C(N1CCOCC1)c3ccc(n2cnnn2)cc3	ZINC000000508286	O=C(N1CCOCC1)c3ccc(n2cnnn2)cc3
NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	ZINC000000399517	c1ccccc1
CCO[C@]3(C1=NCCN1)COc2ccccc2O3	ZINC000000005879	C3CN=C(C2COc1ccccc1O2)N3
CO[C@@H](CN)CC(=O)N1CCN(C)C(=O)C1	ZINC000232121298	O=C1CNCCN1
CC(C)=Nn2cnc1C(C(N)=O)=NC(C)(C)Nc12	ZINC000005601655	C2Nc1[nH]cnc1C=N2
NC(=O)c1c(NC=O)ncn1[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O	ZINC000005539073	C2CCC(n1ccnc1)OC2
CC[C@H]2NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1N2	ZINC000000000686	O=C1NCNc2ccccc12
O=C1N(CC#C)S(=O)(=O)c2ccccc12	ZINC000000039977	O=C1NS(=O)(=O)c2ccccc12
CCOC(=O)c1c(C)n(CCO)c2ccc(OC(C)=O)cc12	ZINC000000036700	c2ccc1[nH]ccc1c2
Nc3nc(COc1ccc(F)cc1)nc(N2CCOCC2)n3	ZINC000000140521	C3CN(c2ncnc(COc1ccccc1)n2)CCO3
C[C@@H]1C[N@@](CC(C)(C)O)CCN1C(=O)Cn2cn[nH]c2=O	ZINC000186913318	O=C(Cn1cn[nH]c1=O)N2CCNCC2
Cn1nccc1C(=O)n2cc(N(=O)=O)cn2	ZINC000000315082	O=C(c1ccn[nH]1)n2cccn2
OCC(CO)NCc1cc(=O)[nH]c(=O)[nH]1	ZINC000238692218	O=c1cc[nH]c(=O)[nH]1
COc2ccc(NC(=O)CSc1nnc(C)c(=O)n1N)cc2	ZINC000000392210	O=C(CSc1nncc(=O)[nH]1)Nc2ccccc2
OCNC(=O)N(CO)[C@H]1N(CO)C(=O)N(CO)C1=O	ZINC000001850156	O=C1CNC(=O)N1
Cc2nnc(SCC(=O)NCc1ccccc1)n(N)c2=O	ZINC000000392212	O=C(CSc1nncc(=O)[nH]1)NCc2ccccc2
CC3(C)S[C@@H]2[C@@H](NC(=O)[C@@H](N)c1ccc(O)cc1)C(=O)N2[C@H]3C(O)=O	ZINC000001821981	O=C(Cc1ccccc1)NC3C2SCCN2C3=O
COC(=O)CSc2nnc(CNC(=O)c1ccco1)n2C	ZINC000000426939	O=C(NCc1nnc[nH]1)c2ccco2
O=C(NC(=S)N1CCOCC1)c2cccc(N(=O)=O)c2	ZINC000000067593	O=C(NC(=S)N1CCOCC1)c2ccccc2
CS(=O)(=O)Nc2ccc(C(=O)NCCN1CCCC1=O)cn2	ZINC000627999433	O=C1CCCN1CCNC(=O)c2cccnc2
OC[C@H]1[C@H](CO)[C@@H](CO)C(=O)[C@H]1CO	ZINC000004416206	O=C1CCCC1
COC(=O)[C@@]12CCC(=O)[C@@](C(=O)OC)(CCC1=O)C2	ZINC000000136281	O=C1CCC2CC1CCC2=O
CN(C)S(=O)(=O)NCc1ccccc1	ZINC000000030705	c1ccccc1
COC(=O)c2cc(NC(=O)Cc1ccccc1)cc(C(=O)OC)c2	ZINC000000029274	O=C(Cc1ccccc1)Nc2ccccc2
COc3ccc(COC[C@@H](O)CNC2Cc1ccccc1C2)cc3	ZINC000000119013	C(CNC2Cc1ccccc1C2)COCc3ccccc3
COc2cc1cc(C(O)=O)c(=O)oc1cc2OC	ZINC000000103696	O=c2ccc1ccccc1o2
CN1CC[N@@](C)C[C@H]1CNC(=O)C(=O)N2CCN(C)C(=O)C2	ZINC000568160631	O=C2CN(C(=O)C(=O)NCC1CNCCN1)CCN2
Cn3c(=O)n(C)c2ncn(CCN1CCNC(=O)C1)c2c3=O	ZINC000026848425	O=C3CN(CCn1cnc2[nH]c(=O)[nH]c(=O)c12)CCN3
O=C(CCn2nc1ccccn1c2=O)N4CCC[C@@H](N3CCNCC3=O)C4	ZINC000186691599	O=C(CCn2nc1ccccn1c2=O)N4CCCC(N3CCNCC3=O)C4
CO[C@H]1COC[C@H]1S(=O)(=O)N2C[C@H](O)[C@@H](O)C2	ZINC000625355349	O=S(=O)(C1CCOC1)N2CCCC2
O=C2CN(S(=O)(=O)c1ccccc1N(=O)=O)CC(=O)N2	ZINC000000296887	O=C2CN(S(=O)(=O)c1ccccc1)CC(=O)N2
COC(=O)Cc1c(C(=O)OC)nnn1c2ccc(OC)cc2	ZINC000000167556	c2ccc(n1ccnn1)cc2
C[C@H]3O[C@@H](n1cnc2c(N)ncnc12)C[C@@H]3O	ZINC000000040150	C3COC(n1cnc2cncnc12)C3
COc1ccccc1OC[C@H](O)CO	ZINC000000000353	c1ccccc1
Nc1ccc(C(=O)OC[C@H](O)CO)cc1	ZINC000000000425	c1ccccc1
Cc1ccncc1NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2	ZINC000605242767	O=C(NCCN1CCNCC1)C(=O)Nc2cccnc2
OC2CN(C(=O)COCC(=O)N1CC(O)C1)C2	ZINC000675831801	O=C(COCC(=O)N1CCC1)N2CCC2
O[C@@H]2C[C@@H](O)[N@]1C[C@@H](O)[C@@H](O)[C@@H]1[C@@H]2O	ZINC000014616443	C2CCN1CCCC1C2
CCOc2nc(N(C)C)nc(n1nnc(C(C)=O)c1C)n2	ZINC000000056329	c2cn(c1ncncn1)nn2
CCC[C@@H]2CN[C@H](C(=O)N[C@@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@H](O)[C@H]1O)C2	ZINC000071789770	O=C(NCC1CCCCO1)C2CCCN2
CNC(=O)NC[C@@H]3CN(C(=O)C(=O)N2CCN1CCOC[C@@H]1C2)CCO3	ZINC000625508751	O=C(N1CCOCC1)C(=O)N3CCN2CCOCC2C3
CCS(=O)(=O)Nc2c(C)n(C)n(c1ccccc1)c2=O	ZINC000000064582	O=c1cc[nH]n1c2ccccc2
Nc2nn([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c3ncccc23	ZINC000003852652	C3COC(n1ncc2cccnc12)C3
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C)C(=O)C1	ZINC000530820989	O=C1CNCCN1
COc2ccc(Cn1ccc(=O)[nH]c1=O)cc2N(=O)=O	ZINC000000205982	O=c2ccn(Cc1ccccc1)c(=O)[nH]2
Cc1cc(C)n(C)c(=O)c1C(=O)NC[C@@H]2CCCO2	ZINC000000034624	O=C(NCC1CCCO1)c2ccc[nH]c2=O
OCCNCN1CCN(CO)C1=S	ZINC000005494878	S=C1NCCN1
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CN(=O)=O	ZINC000002545125	nonring
OCc2nnn(c1ccc(N(=O)=O)cc1)c2CO	ZINC000000104473	c2ccc(n1ccnn1)cc2
OCc2nnn(c1ccccc1)c2CO	ZINC000000104475	c2ccc(n1ccnn1)cc2
COCCNC=c2c(=O)[nH]c(=O)n(c1ccc(Cl)cc1)c2=O	ZINC000001886014	C=c2c(=O)[nH]c(=O)n(c1ccccc1)c2=O
Cc1nn(CC(N)=O)c(=O)c2ccccc12	ZINC000000209987	O=c1[nH]ncc2ccccc12
Cn1nccc1[C@@H]2COCCN2C(=O)C(=O)NCC(=O)N3CCNCC3	ZINC000652695337	O=C(CNC(=O)C(=O)N1CCOCC1c2ccn[nH]2)N3CCNCC3
Cn2nnc3n([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c(=O)ccc23	ZINC000003852659	O=c2ccc1[nH]nnc1n2C3CCCO3
CCOC(=O)NC(=O)c1cn(CCNCCO)c(=O)[nH]c1=O	ZINC000001617938	O=c1cc[nH]c(=O)[nH]1
Cn2c(N)c(C#N)c1ccc(N(=O)=O)cc1c2=O	ZINC000000134454	O=c1[nH]ccc2ccccc12
CN3[C@H]2N=CN([C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]2C(=O)N(C)C3=O	ZINC000239025570	O=C3NC2N=CN(C1CCCO1)C2C(=O)N3
CN(C)C(=N)NCC[C@H](N)C(O)=O	ZINC000013647942	nonring
O=C(CNS(=O)(=O)c2ccc1[nH]c(=O)[nH]c1c2)N3CCNCC3	ZINC000320208261	O=C(CNS(=O)(=O)c2ccc1[nH]c(=O)[nH]c1c2)N3CCNCC3
C[C@H]2N(C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)CCNC2=O	ZINC000625451757	O=C2CN(C(=O)C(=O)N1CCOCC1)CCN2
OC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1	ZINC000004899450	C1CCNC1
NS(=O)(=O)CCOCCNC(=O)c2cc(N1CCNC(=O)C1)ccn2	ZINC000569959167	O=C2CN(c1ccncc1)CCN2
COC(=O)CNC(=O)C(C)(C)NS(C)(=O)=O	ZINC000332492257	nonring
C[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)NCCNS(C)(=O)=O	ZINC000460690349	c1cn[nH]c1
CC(C)(C)NC(=O)COc2ccc(CNn1nnnc1N)cc2	ZINC000000359914	C(Nn1cnnn1)c2ccccc2
O=C(Cn1cnc(C#N)n1)N3CCN(C(=O)C(=O)N2CCOCC2)CC3	ZINC000578250711	O=C(Cn1cncn1)N3CCN(C(=O)C(=O)N2CCOCC2)CC3
CC(C)[C@@](O)([C@H](C)O)C(=O)OCC2=CCN1CC[C@@H](O)[C@H]12	ZINC000000525679	C2CC1C=CCN1C2
OC(=O)[C@@H](CC(=O)NCc1cccnc1)NCc2cccnc2	ZINC000000352271	O=C(CCNCc1cccnc1)NCc2cccnc2
O=c3n(C[C@@H]1CO1)n(C[C@@H]2CO2)c(=O)n3C[C@@H]4CO4	ZINC000001481726	O=c3n(CC1CO1)n(CC2CO2)c(=O)n3CC4CO4
COc3ccc(NC(=O)CSc2nnc1CCCCCn12)cc3	ZINC000000093163	O=C(CSc2nnc1CCCCCn12)Nc3ccccc3
COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000000261970	c1ccccc1
CCN2[C@@H]1NC(=O)N[C@H]1N(CC)C2=O	ZINC000000075874	O=C2NC1NC(=O)NC1N2
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCC(=O)N(C)C)C1	ZINC000592321329	C1CCNCC1
COC[C@@H](C)NC(=O)N1CCOCC1	ZINC000000285380	C1COCCN1
CCC1(O)CN(C(=O)CNS(=O)(=O)N(C)C)C1	ZINC000310312839	C1CNC1
O[C@H](CN2CCN(C(=O)C(=O)N1CCOCC1)CC2)CC3(O)CCC3	ZINC000625044920	O=C(N1CCOCC1)C(=O)N3CCN(CCCC2CCC2)CC3
CS(=O)(=O)NCCCNC(=O)Cn1cc(N(=O)=O)cn1	ZINC000044706854	c1cn[nH]c1
OC[C@H]2C[C@@H](n1ccc(=O)[nH]c1=O)[C@@H](F)[C@@H]2O	ZINC000003800637	O=c2ccn(C1CCCC1)c(=O)[nH]2
Cc2cc(C(=O)N1CCN(CC(N)=O)C(=O)C1)[nH]c(=O)c2	ZINC000622691321	O=C2CN(C(=O)c1cccc(=O)[nH]1)CCN2
COc2ccc(CC(=O)N1CCN(CC(N)=O)C(=O)C1)nc2	ZINC000622691324	O=C2CN(C(=O)Cc1ccccn1)CCN2
COC(=O)N1CC(NCCC(=O)NC(N)=O)C1	ZINC000497122058	C1CNC1
CCS(=O)(=O)C(C)(C)S(=O)(=O)CC	ZINC000000002116	nonring
CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC	ZINC000000002115	nonring
CC(=O)NCc2ccc(S(=O)(=O)NCC(=O)NC[C@@H]1C[C@H](F)CN1)s2	ZINC000648140649	O=C(CNS(=O)(=O)c1cccs1)NCC2CCCN2
NS(=O)(=O)c2ccc(N1CCCCS1(=O)=O)cc2	ZINC000000002119	O=S1(=O)CCCCN1c2ccccc2
CCc2nc1c(=O)n(C)c(=O)n(C)c1[nH]2	ZINC000000284168	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
NC3=NC(=O)[C@@H]2NC(=O)N([C@H]1C[C@H](O)[C@@H](CO)O1)C2=N3	ZINC000072481949	O=C2NC1C(=O)N=CN=C1N2C3CCCO3
Cn2c(=O)[nH]c(=O)c3n1CCNNc1nc23	ZINC000000039709	O=c3[nH]c(=O)c2n1CCNNc1nc2[nH]3
CCOC(=O)C(=NNc1[nH]cnc1C(=O)NC)C#N	ZINC000001414505	c1c[nH]cn1
COc3ccc(N2C(=O)C[C@H](N1CCN(C=O)CC1)C2=O)cc3	ZINC000000208270	O=C2CC(N1CCNCC1)C(=O)N2c3ccccc3
CC1(C)N(CO)C(=O)NC1=O	ZINC000000156245	O=C1CNC(=O)N1
COC(=O)C2(C(=O)OC)[C@@H](c1ccccc1)[C@@]2(C#N)C(=O)OC	ZINC000000033614	C1CC1c2ccccc2
C[C@@H]2C[N@@](C)C[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)O2	ZINC000636017885	O=C2CN(C(=O)C1CNCCO1)CCN2
Cc3nc(N)c2n([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)cnc2n3	ZINC000004823957	C3COC(n1cnc2ncncc12)C3
COc2cc(CNC(=O)c1cccs1)cc(OC)c2OC	ZINC000000031375	O=C(NCc1ccccc1)c2cccs2
COc1ccc(N(=O)=O)cc1NN=C(C#N)C(N)=O	ZINC000000054674	c1ccccc1
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCNS(=O)(=O)N(C)C	ZINC000596613351	nonring
NC(=O)CN2CCN(C(=O)[C@@H]1CC(=O)N1)CC2	ZINC000667315006	O=C2CC(C(=O)N1CCNCC1)N2
CCCn2c(=O)n(CC)c1ncn(CCC[C@H](O)[C@@H](C)O)c1c2=O	ZINC000000010589	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CCS(=O)(=O)N(C)CC(=O)NCCNC(C)=O	ZINC000332483882	nonring
NC(=O)c1ccccc1NC(=O)CCn3c(=O)c2ccccc2c3=O	ZINC000000116286	O=C(CCn2c(=O)c1ccccc1c2=O)Nc3ccccc3
COc2ccc(/C=C/C(=O)Nc1nonc1NC(C)=O)cc2	ZINC000000116280	O=C(Nc1cnon1)C=Cc2ccccc2
COC(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000000029687	c1ccccc1
CN(C)CCNC(=O)C[C@@H]2O[C@H](CNC(=O)c1cccc(F)c1)[C@@H](O)[C@@H]2O	ZINC000012603662	O=C(NCC1CCCO1)c2ccccc2
Cn2cnc(S(=O)(=O)NCCN1CCNC1=O)c2	ZINC000001030670	O=C1NCCN1CCNS(=O)(=O)c2c[nH]cn2
CNC(=O)CNC(=O)[C@@H](C)N1CCNCC1=O	ZINC000637887983	O=C1CNCCN1
OC[C@@H]1O[C@@H](OCC=C)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000002566533	C1CCOCC1
CCOC(=O)c1c(N)occ1O	ZINC000000337084	c1ccoc1
O=S(=O)(Nc1ncccn1)c3ccc(n2cnnn2)cc3	ZINC000000411407	O=S(=O)(Nc1ncccn1)c3ccc(n2cnnn2)cc3
CC(=O)c1cc(C(N)=O)c(=O)[nH]c1C	ZINC000000170381	O=c1cccc[nH]1
O=C2C[C@@H](C(=O)NCCN1CCNC(=O)C1)NC(=O)N2	ZINC000613379296	O=C2CC(C(=O)NCCN1CCNC(=O)C1)NC(=O)N2
NC(=O)[C@H](CO)NC(=O)c1cccnc1	ZINC000001611011	c1ccncc1
CS(=O)(=O)N1CCN(S(=O)(=O)NCCN)CC1	ZINC000563638157	C1CNCCN1
FC(F)(F)c2nnc3ccc(N1CCOCC1)nn23	ZINC000000064000	C3CN(c2ccc1nncn1n2)CCO3
CC(=O)NCCNS(=O)(=O)N1CCOCC1	ZINC000074753100	C1COCCN1
CN1CNc2c(C1)c(=O)n(C)c(=O)n2C	ZINC000000104907	O=c2[nH]c1NCNCc1c(=O)[nH]2
O=c2n(N1CCOCC1)nnc3ccccc23	ZINC000000001746	O=c2n(N1CCOCC1)nnc3ccccc23
OC12CC3(O)CC(O)(C1)CC(O)(C2)C3	ZINC000000336282	C1C2CC3CC1CC(C2)C3
CCc2c(O)nc(SCC(=O)N1CCOCC1)n(CC=C)c2=O	ZINC000000271982	O=C(CSc1nccc(=O)[nH]1)N2CCOCC2
Oc1ccccc1C=c2c(=O)[nH]c(=S)[nH]c2=O	ZINC000000040239	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccc2
CCOC(=O)c2cnc(SCC(=O)NCc1ccco1)nc2N	ZINC000000420965	O=C(CSc1ncccn1)NCc2ccco2
OC(=O)CSc2nnc(NC(=O)c1ccc(F)cc1)s2	ZINC000000040231	O=C(Nc1nncs1)c2ccccc2
C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(C)(=O)=O)C(=O)NCC(N)=O	ZINC000029342659	c1ccccc1
CCOC(=O)c2cnc1c(C(=O)OCC)cnn1c2C	ZINC000000050774	c2cnc1ccnn1c2
O=C1OCC[C@@H]1n3c(=O)c2ccccc2c3=O	ZINC000000112108	O=C1OCCC1n3c(=O)c2ccccc2c3=O
CC[C@@H](O)Cn1c(Br)nc2n(C)c(=O)n(C)c(=O)c12	ZINC000000158213	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
O[C@@H]1NCCN1S(=O)(=O)[C@@H]2CCS(=O)(=O)C2	ZINC000217370667	O=S2(=O)CCC(S(=O)(=O)N1CCNC1)C2
CCC(CC)(NC(=O)C2CN(C(=O)CN1CCCS1(=O)=O)C2)C(N)=O	ZINC000557735384	O=C(CN1CCCS1(=O)=O)N2CCC2
OC[C@@H](O)[C@H](O)[C@H](O)c2nc1ccccc1[nH]c2=O	ZINC000035193505	O=c2cnc1ccccc1[nH]2
OC[C@H](O)COC(=O)c1ccccc1O	ZINC000000517693	c1ccccc1
Cn2c(=O)n(C)c1[nH]c(C=NNC(N)=S)nc1c2=O	ZINC000002077959	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
O=C1CCC(=O)N1Cc3cccc(CN2C(=O)CCC2=O)c3	ZINC000000138824	O=C1CCC(=O)N1Cc3cccc(CN2C(=O)CCC2=O)c3
OCCN2C(=O)c1ccccc1[C@@]2(O)c3ncc[nH]3	ZINC000000434622	O=C2NC(c1ncc[nH]1)c3ccccc23
CCNC(=O)CNC(=O)CCS(=O)(=O)N(C)C	ZINC000332448535	nonring
COC(=O)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](O)C1	ZINC000600217175	C1CCNC1
O=C(Nc1nn[nH]n1)C=Cc2ccc[nH]2	ZINC000000012756	O=C(Nc1nn[nH]n1)C=Cc2ccc[nH]2
NC(=O)[C@@H]1CCCN1CC(=O)N2CCNC(=O)C2	ZINC000078668252	O=C2CN(C(=O)CN1CCCC1)CCN2
CC(C)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000000030397	c1ccccc1
CN(C)C(=O)CN2CCN(C(=O)[C@@]1(O)CCCNC1)CC2	ZINC000662666551	O=C(C1CCCNC1)N2CCNCC2
Cn2c(NCc1ccccn1)nc3n(C)c(=O)n(C)c(=O)c23	ZINC000000159290	O=c3[nH]c(=O)c2[nH]c(NCc1ccccn1)nc2[nH]3
OCn2c(=O)c1ccc(N(=O)=O)cc1c2=O	ZINC000000099039	O=c1[nH]c(=O)c2ccccc12
CC(C)Cn2c(N1CCOCC1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000000334536	O=c3[nH]c(=O)c2[nH]c(N1CCOCC1)nc2[nH]3
Cc1c(CCO)c(=O)[nH]n1C(=O)c2ccc(N(=O)=O)cc2	ZINC000001402195	O=C(c1ccccc1)n2ccc(=O)[nH]2
C[C@@H](N)C(=O)N[C@@H](CO)C(O)=O	ZINC000001575550	nonring
Oc2cccc(C(=O)NN1C(=O)CCC1=O)c2	ZINC000000439079	O=C1CCC(=O)N1NC(=O)c2ccccc2
NC(=N)NCCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(O)=O	ZINC000027637521	c1ccccc1
COc2ccc([C@@H]1[C@@H](C(N)=O)C1(C#N)C#N)cc2	ZINC000000042495	C1CC1c2ccccc2
O=C3C[C@@H](C(=O)N2CCN(C(=O)Cn1cnnn1)CC2)N3	ZINC000668019027	O=C3CC(C(=O)N2CCN(C(=O)Cn1cnnn1)CC2)N3
Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCOCCS(N)(=O)=O	ZINC000625214243	c1cn[nH]c1
CS(=O)(=O)O[C@@H]1COC[C@H]1OS(C)(=O)=O	ZINC000002025052	C1CCOC1
CN2CCN(CC(=O)N1CCNC(=O)C1)CC2=O	ZINC000119378526	O=C2CN(CC(=O)N1CCNC(=O)C1)CCN2
NC(=O)c1cccc(N(=O)=O)c1C(N)=O	ZINC000000255728	c1ccccc1
CCOC(=O)[C@@]2(c1csc(N)n1)COC(=O)C2	ZINC000000027950	O=C2CC(c1cscn1)CO2
CN3CCN(C(=O)c2ccc1OCCOc1c2)CC3	ZINC000000108109	O=C(N1CCNCC1)c3ccc2OCCOc2c3
COC(=O)CC[N@]1CC[C@@H](NS(C)(=O)=O)C1	ZINC000116888422	C1CCNC1
CN(C)S(=O)(=O)NCC(=O)N2CC[N@]1CCC[C@@H]1C2	ZINC000668359180	C2CC1CNCCN1C2
CC(C)[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)C(N)=O	ZINC000625352980	O=C1CNC(=O)N1
CNC(=O)CN3CCN(C(=O)[C@@H]2[C@H]1CNC[C@H]12)CC3	ZINC000648150456	O=C(C2C1CNCC12)N3CCNCC3
CC[C@@H](N(=O)=O)[C@@]2(O)C(=O)Nc1ccccc12	ZINC000000107810	O=C2Cc1ccccc1N2
CC#Cc2cn([C@@H]1C[C@@H](O)[C@H](CO)O1)c(=O)nc2N	ZINC000000024553	O=c1ncccn1C2CCCO2
CNc2nc1[nH]c(=O)c(C)nc1c(=O)[nH]2	ZINC000000339488	O=c2cnc1c(=O)[nH]cnc1[nH]2
C[N@@](CCNC(=O)C1(S(N)(=O)=O)CC1)C2CC2	ZINC000568014433	O=C(NCCNC1CC1)C2CC2
Cc1ccccc1n3c(=O)[nH]c(=O)c(=Cc2cccn2C)c3=O	ZINC000000053578	O=c2[nH]c(=O)c(=Cc1ccc[nH]1)c(=O)n2c3ccccc3
Nc2ccn([C@@H]1S[C@H](CO)C=C1)c(=O)n2	ZINC000000006004	O=c1ncccn1C2SCC=C2
CC(C)(C)OC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000006692963	C1CCOCC1
Cc1ccc(NC[C@@H](O)[C@H](O)[C@H](O)CO)cc1C	ZINC000000057631	c1ccccc1
Cn3c(=O)n(C)c2n(Cc1ccccc1)c(=O)n(C)c2c3=O	ZINC000000128337	O=c3[nH]c(=O)c2[nH]c(=O)n(Cc1ccccc1)c2[nH]3
CCOC(=O)c3cnc2c(C#N)c1OCCc1cn2c3=O	ZINC000000128330	O=c2ccnc3cc1OCCc1cn23
CN2C(=O)N(C)C(=O)C(O)(C1(O)C(=O)N(C)C(=O)N(C)C1=O)C2=O	ZINC000001709821	O=C2NC(=O)C(C1C(=O)NC(=O)NC1=O)C(=O)N2
NS(=O)(=O)c2cccc(NC(=S)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c2	ZINC000028826327	S=C(NC1CCCOC1)Nc2ccccc2
COC(=O)c1ccccc1NC(=O)Cc2ccccc2N(=O)=O	ZINC000000042636	O=C(Cc1ccccc1)Nc2ccccc2
CN(C)S(=O)(=O)N2CC(Nc1cc(=O)n(C)c(=O)n1C)C2	ZINC000624708874	O=c2cc(NC1CNC1)[nH]c(=O)[nH]2
OC(=O)[C@@H]2C[C@@H](c1nn[nH]n1)CN2	ZINC000003784134	C2CC(c1nn[nH]n1)CN2
CN(C)C(=O)NCCN(C)C(=O)CS(=O)(=O)N(C)C	ZINC000332457308	nonring
CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)C(=O)N2CCOCC2	ZINC000067676440	O=C(N1CCCC1)C(=O)N2CCOCC2
CN(CCN1CCOCC1)CC(=O)N2CCNCC2	ZINC000038031524	O=C(CNCCN1CCOCC1)N2CCNCC2
Cc3nc(NCC[N@]1CC[C@@H](O)C1)nc(NCCN2CC[C@@H](O)C2)c3F	ZINC000624681267	C3CCN(CCNc2ccnc(NCCN1CCCC1)n2)C3
CCc2c(O)c1c(=O)n(C)c(=O)n(C)c1n(C)c2=O	ZINC000000086260	O=c2ccc1c(=O)[nH]c(=O)[nH]c1[nH]2
CNC(=O)CN3C(=O)[C@H]2[C@H]1C[C@H](C=C1)[C@H]2C3=O	ZINC000000083343	O=C3NC(=O)C2C1CC(C=C1)C23
OCCNS(=O)(=O)N1CCNCC1	ZINC000040860505	C1CNCCN1
CNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)CCCOC)CC1	ZINC000370756723	C1CNCCNC1
N[C@H](\C=N\O)[C@@H](O)[C@@H](O)[C@@H](O)CO	ZINC000004802118	nonring
C[C@@H]1COCCN1CCNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2	ZINC000668253445	O=C(NCCN1CCOCC1)C2CCCNC2
CNS(=O)(=O)CC(=O)N[C@@H](CN(C)C(=O)CS(=O)(=O)NC)C(C)C	ZINC000490361975	nonring
O=S(=O)(Nc1cccc2[nH]cnc12)c3ccc(C#N)cc3	ZINC000000110194	O=S(=O)(Nc1cccc2[nH]cnc12)c3ccccc3
CN(C)S(=O)(=O)N(CC(N)=O)[C@@H]1CCCNC1	ZINC000037541881	C1CCNCC1
CC(C)[C@H](N1CCCS1(=O)=O)C(=O)NCCN2C(=O)CNC2=O	ZINC000533406779	O=C(CN1CCCS1(=O)=O)NCCN2C(=O)CNC2=O
Nc2c(C(=O)NC[C@@H]1CCCO1)sc(=S)n2CC=C	ZINC000000075301	O=C(NCC1CCCO1)c2c[nH]c(=S)s2
CC2=C3[C@@H]([C@H]1OC(=O)C(=C)[C@@H]1[C@H](O)C2)C(CO)=CC3=O	ZINC000000519270	C=C3C2CCC=C1C(C=CC1=O)C2OC3=O
COc1ccc(CCN(C)C(=S)NN)cc1OC	ZINC000000028367	c1ccccc1
CCOC(=O)c3ccc(N2C(=O)C[C@H](N1CCC(O)CC1)C2=O)cc3	ZINC000000083163	O=C2CC(N1CCCCC1)C(=O)N2c3ccccc3
Cn3c(=O)n(C)c2nc(SCC(N)=O)n(Cc1ccccc1Cl)c2c3=O	ZINC000000625453	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
OC[C@@H]2O[C@H](SCCc1ccccc1)[C@H](O)[C@H](O)[C@@H]2O	ZINC000000391854	C2CCC(SCCc1ccccc1)OC2
NS(=O)(=O)c2ccc(NC(=O)N1CCOCC1)cc2	ZINC000000340333	O=C(Nc1ccccc1)N2CCOCC2
CNS(=O)(=O)NCC(=O)N(C)CC(=O)N(C)C	ZINC000332465046	nonring
Cn2c(=O)n(C)c3nc(NC(=O)CCC(=O)NC1CC1)ccc23	ZINC000000538360	O=C(CCC(=O)Nc2ccc1[nH]c(=O)[nH]c1n2)NC3CC3
CN(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)Cn1c(=O)c(=O)c2ccccc12	ZINC000004974917	O=c2[nH]c1ccccc1c2=O
Cc2cc(NC(=O)CSc1nncn1C)no2	ZINC000000128199	O=C(CSc1nnc[nH]1)Nc2ccon2
CON(c1nc(OC)nc(N(C)C)n1)S(=O)(=O)c2ccccc2	ZINC000000305834	O=S(=O)(Nc1ncncn1)c2ccccc2
CCn2c(NCc1ccccc1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000000042034	O=c3[nH]c(=O)c2[nH]c(NCc1ccccc1)nc2[nH]3
OC[C@@H]2NC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000000402783	O=C2CNC(=O)C(Cc1ccccc1)N2
CNS(=O)(=O)c2ccc(NC1CN(S(=O)(=O)N(C)C)C1)nc2	ZINC000624708380	C1NCC1Nc2ccccn2
O[C@@H](COCc1ccc(Cl)cc1)C[S@@](=O)c2nc[nH]n2	ZINC000000271868	O=S(CCCOCc1ccccc1)c2nc[nH]n2
NC(=O)[C@@H](Cc1ccc(O)cc1)N(CCO)CCO	ZINC000001701264	c1ccccc1
O=C1CCC(=O)N1CNc2cccnc2	ZINC000000138612	O=C1CCC(=O)N1CNc2cccnc2
CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1	ZINC000556626455	C1COCCN1
Cc2ccc(OCC(=O)N1CCN(S(C)(=O)=O)CC1)cc2	ZINC000000355415	O=C(COc1ccccc1)N2CCNCC2
CS(=O)(=O)NCCNC(=O)C1CNC1	ZINC000084408983	C1CNC1
O=c1ccc(=O)n1c3ccc(N2CCOCC2)cc3	ZINC000000077657	O=c1ccc(=O)n1c3ccc(N2CCOCC2)cc3
OC(=O)CNC(=O)CCNC(=O)OCc1ccccc1	ZINC000001640092	c1ccccc1
OCCN(CCO)c1ncnc2[nH]cnc12	ZINC000000393982	c2ncc1nc[nH]c1n2
C[C@@H](Cn1cncn1)NC(=O)C(=O)N3CCN(C)[C@@H](c2ncc[nH]2)C3	ZINC000671934688	O=C(NCCn1cncn1)C(=O)N3CCNC(c2ncc[nH]2)C3
O=C3C[C@@H](C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)CN3	ZINC000648178374	O=C3CC(C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)CN3
CNS(=O)(=O)NC1CCN(C(=O)CNS(=O)(=O)CCCOC)CC1	ZINC000552015986	C1CCNCC1
N=NC1NCCN1Cc2ccccc2	ZINC000000159766	C2CN(Cc1ccccc1)CN2
OCCNC(=O)c1cc(C(=O)NCCO)cc(C(=O)NCCO)c1	ZINC000002468869	c1ccccc1
CCN1[C@@H](NNC(N)=S)[C@@H](NNC(N)=S)N(CC)C1=O	ZINC000012411918	O=C1NCCN1
NC(=O)CC2(CNC(=O)[C@@H]1CC(=O)N1)CC2	ZINC000616367577	O=C2CC(C(=O)NCC1CC1)N2
NC(=O)NC(=O)CCN[C@@H](CO)CN1CCOCC1	ZINC000566230709	C1COCCN1
CNS(=O)(=O)CCNC(=O)NCCC(=O)N(C)C	ZINC000332455219	nonring
C[C@@H]1COCCN1C(=O)CNC(=O)CN	ZINC000037482162	C1COCCN1
Cn1ccnc1S(=O)(=O)c2ccc(N(=O)=O)cc2	ZINC000000054336	O=S(=O)(c1ccccc1)c2ncc[nH]2
CNS(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O	ZINC000427151297	c1ccccc1
CO[C@@H]1O[C@@H](OC)[C@H](O)[C@@H]1O	ZINC000000394407	C1CCOC1
CC[C@@H](C)NC(=O)CN1CCN(C(=O)CNC(=O)CN)CC1	ZINC000558149039	C1CNCCN1
CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NCC(=O)N(C)C	ZINC000277132938	nonring
Cc2ncc(S(=O)(=O)NCC(=O)N1CCNCC1)cc2C#N	ZINC000320060075	O=C(CNS(=O)(=O)c1cccnc1)N2CCNCC2
CCOC(=O)[C@@H]3CCCN(C(=O)Cn2c(=O)c1ccccc1c2=O)C3	ZINC000000116346	O=C(Cn2c(=O)c1ccccc1c2=O)N3CCCCC3
O=C(Cn2c(=O)c1ccccc1c2=O)NC[C@@H]3CCCO3	ZINC000000029094	O=C(Cn2c(=O)c1ccccc1c2=O)NCC3CCCO3
CN2C[C@@H](NC(=O)CN1CN=NC1=O)C(=O)N2	ZINC000444291495	O=C(CN1CN=NC1=O)NC2CNNC2=O
CN[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O	ZINC000648131778	C1CCNC1
CO[C@@H](CNS(=O)(=O)c1cc(Cl)cnc1N)CC(O)=O	ZINC000530435942	c1ccncc1
C[C@@H]3CN(C(=O)C(=O)N1CCO[C@@H](CN)C1)C[C@@H](C2CC2)O3	ZINC000643541379	O=C(N1CCOCC1)C(=O)N3CCOC(C2CC2)C3
CCOc3ccc(N2C(=O)C[C@H](N1CCC(C(N)=O)CC1)C2=O)cc3	ZINC000000062533	O=C2CC(N1CCCCC1)C(=O)N2c3ccccc3
Cn3c2OC(N)=C(C#N)[C@@H](c1ccccc1)c2c(=O)n(C)c3=O	ZINC000000062534	O=c3[nH]c2OC=CC(c1ccccc1)c2c(=O)[nH]3
NCCNC(=O)C(=O)NC1CCOCC1	ZINC000036308360	C1CCOCC1
Cc2cn([C@@H]1C[C@@H](F)[C@H](CO)O1)c(=O)[nH]c2=O	ZINC000000056790	O=c2ccn(C1CCCO1)c(=O)[nH]2
Cn3c(N)c(C(=O)CN2CCO[C@@H]1CCOC[C@@H]12)c(=O)n(C)c3=O	ZINC000367826047	O=C(CN2CCOC1CCOCC12)c3c[nH]c(=O)[nH]c3=O
OC[C@@H]3O[C@@H](n1c(=O)ccc2n[nH]nc12)[C@@H](O)[C@@H]3O	ZINC000003852535	O=c2ccc1n[nH]nc1n2C3CCCO3
CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(O)=O)O[C@H]1[C@H](O)[C@H](O)CN	ZINC000033977700	C1CCOCC1
OCN2C(=O)C[C@@](CO)(c1ccccc1)C2=O	ZINC000000524466	O=C2CC(c1ccccc1)C(=O)N2
CN2CCN(C(=O)CN(C)C(=O)CN1CCN(C)C(=O)C1)CC2	ZINC000636316987	O=C2CN(CC(=O)NCC(=O)N1CCNCC1)CCN2
CCNC(=O)[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O	ZINC000332511809	nonring
CN1CCn3c1nc(N2CCCCC2)nc3=O	ZINC000000529162	O=c3nc(N1CCCCC1)nc2NCCn23
CS(=O)(=O)N2CCN(S(=O)(=O)N1CCO[C@@H](C(N)=O)C1)CC2	ZINC000481868021	O=S(=O)(N1CCNCC1)N2CCOCC2
NC(=S)N/N=C/c1ccc(O)cc1O	ZINC000000130919	c1ccccc1
COc1ccc(OC[C@@H](O)CO)cc1	ZINC000000040170	c1ccccc1
O=C(NCCN1CCNCC1)C(=O)N3CC[C@@H]2OCC[C@@H]2C3	ZINC000583935147	O=C(NCCN1CCNCC1)C(=O)N3CCC2OCCC2C3
NCCC(=O)NCCS(N)(=O)=O	ZINC000037408937	nonring
NNS(=O)(=O)c2ccc(c1ccccn1)s2	ZINC000000126122	c2ccc(c1cccs1)nc2
O=c1ccc(=O)n1c3ccc2OCOc2c3	ZINC000000110973	O=c1ccc(=O)n1c3ccc2OCOc2c3
CCN(CCCNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)S(C)(=O)=O	ZINC000556651275	C1CCNC1
CC(=O)c2cc(Nc1cc(C)n(C)c(=N)n1)cc(C(C)=O)c2	ZINC000000006768	N=c2nc(Nc1ccccc1)cc[nH]2
CC(=O)c2sc1nc(=O)c(C)nn1c2C	ZINC000000053966	O=c2cnn1ccsc1n2
CCN(CCO)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000000260432	O=c1cc[nH]c(=O)[nH]1
CC2(C(=O)N1CCCS(=O)(=O)CC1)CNC2	ZINC000399508964	O=C(C1CNC1)N2CCCS(=O)(=O)CC2
Cn2c(=O)sn(c1ccccc1)c2=O	ZINC000000102676	O=c2[nH]c(=O)n(c1ccccc1)s2
CS(=O)(=O)OCC(=O)COS(C)(=O)=O	ZINC000001689393	nonring
CS(=O)(=O)N2CCN(S(=O)(=O)c1ccccc1)CC2	ZINC000000300715	O=S(=O)(N1CCNCC1)c2ccccc2
Cn1cc(Br)c(=O)[nH]c1=O	ZINC000000343307	O=c1cc[nH]c(=O)[nH]1
NS(=O)(=O)c2ccc(N1CCCC1=O)cc2	ZINC000000282269	O=C1CCCN1c2ccccc2
COc2cccc([C@H]1[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]1C(C)=O)c2	ZINC000000028220	O=C2CCCC(c1ccccc1)C2
COC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC000000503382	O=c1cc[nH]c(=O)[nH]1
NC(=S)N\N=C(C[C@H](O)[C@H](O)[C@H](O)CO)\C=N\C(N)=S	ZINC000035225112	nonring
CNC(=O)C(=O)N[C@@H](CCO)CSC	ZINC000332466092	nonring
O=C(NCc1ccccc1)c3cc(C(=O)NCc2ccccc2)ncn3	ZINC000000014574	O=C(NCc1ccccc1)c3cc(C(=O)NCc2ccccc2)ncn3
CCOC(=O)c1snc(C(N)=O)c1N	ZINC000000420305	c1cnsc1
CCNC(=O)c1nc[nH]c1C(=O)NCC	ZINC000000195130	c1c[nH]cn1
COCCNC(=O)CN2CCN(C(=O)C(=O)N1CCNC(=O)[C@@H]1C)CC2	ZINC000298740457	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
Cn3c(=O)n(C)c2ncn(CC(=O)N1CCCCC1)c2c3=O	ZINC000000183851	O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c12)N3CCCCC3
O[C@H]2CO[C@@H](Nc1ccc(O)cc1)[C@@H](O)[C@@H]2O	ZINC000000526389	C2CCC(Nc1ccccc1)OC2
NC(=O)CC[C@@H]1NC[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)OC1=O	ZINC000090586079	O=C1CNCCO1
CNC(=O)CCN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1	ZINC000561457158	C1CSCCN1
COc2cc(Cn1cnnn1)ccc2O	ZINC000000060396	C(c1ccccc1)n2cnnn2
N[C@@H](CO)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000263584303	C1CCOCC1
CC(=O)Nc2ccc(S(=O)(=O)Nc1nccnc1C(N)=O)cc2	ZINC000001706322	O=S(=O)(Nc1cnccn1)c2ccccc2
Oc3c(CC(=O)c2ccc1OCCOc1c2)c(=O)oc4ccccc34	ZINC000000070300	O=C(Cc2cc1ccccc1oc2=O)c4ccc3OCCOc3c4
COc3ccc(c2nc(c1ccncc1)nc(=O)[nH]2)cc3	ZINC000000172758	O=c3nc(c1ccncc1)nc(c2ccccc2)[nH]3
COCC(=O)Nc1nnc(COC)s1	ZINC000000149496	c1nncs1
COC(=O)c2ccc(NC(=O)Cn1ccnc1)cc2	ZINC000000051297	O=C(Cn1ccnc1)Nc2ccccc2
CN(C)C(=O)CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1	ZINC000682078993	C1CNCCN1
CCOC(=O)c3cn(CC)c2cc(N1CCOCC1)c(F)cc2c3=O	ZINC000000052150	O=c2cc[nH]c3cc(N1CCOCC1)ccc23
CS(=O)(=O)N2CCC(C(=O)NCc1ccco1)CC2	ZINC000000261913	O=C(NCc1ccco1)C2CCNCC2
Cn2c(=O)n(C)c1ncn(CC#N)c1c2=O	ZINC000000033452	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CC(C)(C)n2cnc(C(=O)N1CCN(CC(N)=O)C(=O)C1)n2	ZINC000622691349	O=C2CN(C(=O)c1nc[nH]n1)CCN2
Cn3cc(S(=O)(=O)NCCN2CC(N1CCNC1=O)C2)cn3	ZINC000660687940	O=C1NCCN1C3CN(CCNS(=O)(=O)c2cn[nH]c2)C3
CCS(=O)(=O)NCCN1CCO[C@H](CO)C1	ZINC000407949419	C1COCCN1
CSc1nc(N)c(NC=O)c(=O)n1C	ZINC000000330512	O=c1ccnc[nH]1
CC[C@@H]1Cn2c(O1)nc3n(C)c(=O)n(C)c(=O)c23	ZINC000000385799	O=c3[nH]c(=O)c2n1CCOc1nc2[nH]3
CC(NC1CCCCC1)=C(C#N)C(=O)NCCN2CCOCC2	ZINC000000507013	O=C(NCCN1CCOCC1)C=CNC2CCCCC2
C[C@@H](CO)NS(=O)(=O)[C@H]1CCS(=O)(=O)C1	ZINC000035610985	O=S1(=O)CCCC1
O[C@@H]3C[C@H]2CN(C(=O)C(=O)NC1CNC1)CC[N@]2C3	ZINC000656023253	O=C(NC1CNC1)C(=O)N3CCN2CCCC2C3
NCC(=O)NCC(=O)N2CCN(S(=O)(=O)c1ccccc1)CC2	ZINC000261710811	O=S(=O)(N1CCNCC1)c2ccccc2
CNS(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c1cc[nH]n1)CC2	ZINC000521262193	O=S(=O)(N1CCNCC1)c2cc[nH]n2
Cn4c(=O)n(C)c2c(cn3c1ccccc1nnc23)c4=O	ZINC000000033679	O=c4[nH]c(=O)c3cn2c1ccccc1nnc2c3[nH]4
Cc1ccc([S@@](=O)N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	ZINC000008627859	c1ccccc1
COC(Cn2c(=O)c1ccc(F)cc1c2=O)OC	ZINC000000079682	O=c1[nH]c(=O)c2ccccc12
CN(C)CCN2CCN(C(=O)C(=O)N=c1ncn(C)[nH]1)CC2=O	ZINC000651957760	O=C2CN(C(=O)C(=O)N=c1nc[nH][nH]1)CCN2
NC(=O)CCCCNS(=O)(=O)c1ccc(C#N)o1	ZINC000557842084	c1ccoc1
COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000000078374	c1ccccc1
CS(=O)(=O)N2CCN(CCNC(=O)NCCN1C(=O)CNC1=O)CC2	ZINC000603534696	O=C1CNC(=O)N1CCNC(=O)NCCN2CCNCC2
CNC(=O)CC(=O)N(C)CC(=O)OC	ZINC000332474157	nonring
C[C@H]1N(C(=O)C(=O)NCC(=O)N(C)C)CN(C)C1=O	ZINC000646911172	O=C1CNCN1
CO[C@@](C)(CO)CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O	ZINC000654866247	nonring
COC(=O)c2cn(CC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1)nn2	ZINC000600236161	O=C(Cn1ccnn1)N2CCOCC2
C[C@@]2(C(N)=O)CCN(C(=O)CN1CCNCC1=O)C2	ZINC000662902065	O=C1CNCCN1CC(=O)N2CCCC2
CNS(=O)(=O)NCC(=O)NCCC[N@]1CCC[C@@H](C(N)=O)C1	ZINC000569703560	C1CCNCC1
COc3ccc(CNC(=O)Cn2c(=O)c1ccccc1c2=O)cc3	ZINC000000102075	O=C(Cn2c(=O)c1ccccc1c2=O)NCc3ccccc3
OCCCNC(=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O	ZINC000012408017	O=c1cc[nH]c(=O)[nH]1
CC(=O)NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1	ZINC000005063313	c1ccccc1
COC[C@@H](C)S(=O)(=O)N[C@@H]1COC[C@H]1O	ZINC000399705359	C1CCOC1
Cn3c(NCCc1ccccc1)nc(c2ccncc2)cc3=O	ZINC000000009114	O=c3cc(c1ccncc1)nc(NCCc2ccccc2)[nH]3
O=C1CNCCN1CC(=O)N3CCN(C(=O)C(=O)NC2CC2)CC3	ZINC000429691759	O=C1CNCCN1CC(=O)N3CCN(C(=O)C(=O)NC2CC2)CC3
C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2	ZINC000558042252	O=C(CNC(=O)C1CC1)NC2CCCNC2
Nc1cc(=O)[nH]c(=O)n1c2ccc(OC(F)(F)F)cc2	ZINC000000094731	O=c2ccn(c1ccccc1)c(=O)[nH]2
CC(C)Cn2c(=O)n(CC(C)C)c1[nH]c(C)nc1c2=O	ZINC000000004539	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CCC12CN(C(C)=O)CC(CC)(CN(C(C)=O)C1)C2=O	ZINC000000094739	O=C1C2CNCC1CNC2
O=c2[nH][nH]c1[C@@H]3C[C@H](Cc12)c4c(C3)[nH][nH]c4=O	ZINC000000136180	O=c2[nH][nH]c1C3CC(Cc12)c4c(C3)[nH][nH]c4=O
OCCN(CCO)S(=O)(=O)c1cccc2cccnc12	ZINC000000616732	c2ccc1ncccc1c2
N#CC(C#N)=c1ccc(=C(C#N)C#N)cc1	ZINC000000074105	C=c1ccc(=C)cc1
C[C@@H]2CC[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CN2	ZINC000624404290	O=S(=O)(NC1CCCNC1)N2CCNCC2
Cn2c(=O)[nH]c(=O)c3n(CC=C)c(N1CCC(C(N)=O)CC1)nc23	ZINC000000079428	O=c3[nH]c(=O)c2[nH]c(N1CCCCC1)nc2[nH]3
C[C@@H](O)CCN(C)C(=O)NCCNS(C)(=O)=O	ZINC000332464252	nonring
OC(=O)C[C@]3(O)N(Cc1ccccc1)C(=O)c2ccccc23	ZINC000000127899	O=C2N(Cc1ccccc1)Cc3ccccc23
CC(=O)NCC(=O)NCC(=O)N2CC(S(=O)(=O)N1CCNCC1)C2	ZINC000647092269	O=S(=O)(C1CNC1)N2CCNCC2
CNC[C@@H]1C[C@H](F)CN1C(=O)CN2C(=O)CN(C)C2=O	ZINC000648132161	O=C1CNC(=O)N1CC(=O)N2CCCC2
COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(C)C	ZINC000000305021	c1ccccc1
Nc2cn([C@@H]1C[C@@H](O)[C@H](CO)O1)c(=O)[nH]c2=O	ZINC000002516144	O=c2ccn(C1CCCO1)c(=O)[nH]2
CNS(=O)(=O)CC(=O)NCCN(C)C	ZINC000332468023	nonring
COCCN2CCC[C@@](O)(CN1CCN(S(N)(=O)=O)CC1)C2=O	ZINC000067805380	O=C1NCCCC1CN2CCNCC2
CN(CC(=O)NC1CC1)CC(=O)N2CCNC(=O)C2	ZINC000011436845	O=C2CN(C(=O)CNCC(=O)NC1CC1)CCN2
CNC(=O)CNC(=O)C(=O)N1CCNCC1	ZINC000037225127	C1CNCCN1
OCC(CO)(CO)NC=c1c(=O)[nH]c(=O)[nH]c1=O	ZINC000005454319	C=c1c(=O)[nH]c(=O)[nH]c1=O
COC(=O)CSCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1	ZINC000609240937	C1CNCCN1
OC[C@@H](O)[C@@H]2O[C@@H](c1ccco1)O[C@H](CO)[C@@H]2O	ZINC000004743018	C2COC(c1ccco1)OC2
O=C2CC[C@@H](N(=O)=O)[C@@H](c1cccnc1)N2	ZINC000000098905	O=C2CCCC(c1cccnc1)N2
C[C@@H]1CN(S(=O)(=O)N[C@H](C)C(N)=O)C[C@@H](C)O1	ZINC000355785590	C1COCCN1
N[C@H](CC(N)=O)C(=O)N1CCNC(=O)CC1	ZINC000062100211	O=C1CCNCCN1
Nc1nonc1C(=O)NCc2ccco2	ZINC000000062250	O=C(NCc1ccco1)c2cnon2
CN(CCO)S(=O)(=O)N1CCNCC1	ZINC000037899650	C1CNCCN1
C[C@@H](N2CCN1[C@H](CNC(=O)C1=O)C2)C(=O)NCC#C	ZINC000152922614	O=C2NCC1CNCCN1C2=O
CCc3ccc(OC[C@@H](O)Cn1c(Br)nc2n(C)c(=O)[nH]c(=O)c12)cc3	ZINC000000655273	O=c3[nH]c(=O)c2n(CCCOc1ccccc1)cnc2[nH]3
COC(=O)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000035164486	O=c1cc[nH]c(=O)[nH]1
CCN2CCN(C[C@@H](C)CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)CC2	ZINC000560034363	O=C(NCCCN1CCNCC1)C(=O)N2CCOCC2
COCC(=O)Nc2ccc(S(=O)(=O)N1CCOCC1)cc2	ZINC000000355192	O=S(=O)(N1CCOCC1)c2ccccc2
NC[C@@H](NC(=O)OCc1ccccc1)C(O)=O	ZINC000000392025	c1ccccc1
Cc2ncc(S(=O)(=O)NCCN1C(=O)CNC1=O)n2C	ZINC000624971697	O=C1CNC(=O)N1CCNS(=O)(=O)c2cnc[nH]2
COc2nc(NCc1cccnc1)nc(OC)n2	ZINC000000034188	C(Nc1ncncn1)c2cccnc2
O=C(COC(=O)c2ccc1OCOc1c2)c3cccc(N(=O)=O)c3	ZINC000000031356	O=C(COC(=O)c2ccc1OCOc1c2)c3ccccc3
C[N@@](C[C@@H](O)CN1CC(NS(C)(=O)=O)C1)C2CC2	ZINC000634650727	C(CNC1CC1)CN2CCC2
NNS(=O)(=O)c1ccc(F)cc1	ZINC000000067361	c1ccccc1
OC2(C(=O)NCCNC(=O)c1cccnc1)CNC2	ZINC000662680367	O=C(NCCNC(=O)c1cccnc1)C2CNC2
OC14CC3C[C@@H](C1)C(N=Nc2nn[nH]n2)[C@H](C3)C4	ZINC000000246690	C1C2CC3CC1CC(C2)C3N=Nc4nn[nH]n4
COC(=O)CCn1c(=O)[nH]c(=O)c2ccccc12	ZINC000000406022	O=c2[nH]c(=O)c1ccccc1[nH]2
COC(=O)[C@H]2[C@@H]4O[C@@]3(CN(Cc1ccco1)C(=O)[C@H]23)C=C4	ZINC000000203700	O=C2C1CC4OC1(CN2Cc3ccco3)C=C4
CC(=O)Nc2cc(=O)c1nonc1c2=O	ZINC000000225091	O=c1ccc(=O)c2nonc12
CCOC(=O)c1ccccc1NCn3c(=O)c2ccccc2c3=O	ZINC000000044284	O=c2n(CNc1ccccc1)c(=O)c3ccccc23
Nc1nncn1C(=O)COc2ccc(Cl)cc2	ZINC000000091085	O=C(COc1ccccc1)n2cnnc2
CN2C(=O)N(C)[C@@]3(O)c1ccccc1C(=O)[C@@]23O	ZINC000000190529	O=C1NC3C(N1)c2ccccc2C3=O
CNC(=O)[C@H]2CN(C(=O)NCCN1CCNC(=O)C1)CCO2	ZINC000332840683	O=C2CN(CCNC(=O)N1CCOCC1)CCN2
NC(=O)CN2CCN(C(=O)c1ccc(CO)c(F)c1)CC2=O	ZINC000622691596	O=C2CN(C(=O)c1ccccc1)CCN2
CS(=O)(=O)N2CCN(S(=O)(=O)c1ccccc1N(=O)=O)CC2	ZINC000000120046	O=S(=O)(N1CCNCC1)c2ccccc2
NC(=O)CN3CCN(C(=O)[C@@H]1CC12CCOCC2)CC3=O	ZINC000622691594	O=C3CN(C(=O)C1CC12CCOCC2)CCN3
C[N@]2CCO[C@@H](C(=O)N1CCN(S(N)(=O)=O)CC1)C2	ZINC000408275205	O=C(C1CNCCO1)N2CCNCC2
CNCCS(=O)(=O)N1CCNC(=O)C1	ZINC000049629862	O=C1CNCCN1
CCOC(=O)CC(=O)Nc1ccn(C)n1	ZINC000000080497	c1cn[nH]c1
CN(C)S(=O)(=O)N(CC(N)=O)c1ccccc1	ZINC000000366627	c1ccccc1
NC(NC(=O)c1ccccc1)=C2C(=O)CCC2=O	ZINC000000323496	O=C1CCC(=O)C1=CNC(=O)c2ccccc2
COc2ccc(CCNC(=O)c1nonc1N)cc2OC	ZINC000000053518	O=C(NCCc1ccccc1)c2cnon2
CCOc2ccc(n1cnnn1)cc2S(=O)(=O)NC3CC3	ZINC000000116928	O=S(=O)(NC1CC1)c3cccc(n2cnnn2)c3
CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000000220609	C1CCNCC1
CO[C@@H]1COC[C@@H]1NC(=O)N2CCO[C@@H](CC(N)=O)C2	ZINC000624197894	O=C(NC1CCOC1)N2CCOCC2
NN(CCc1ccccn1)C2=NS(=O)(=O)c3ccccc23	ZINC000000034315	O=S3(=O)N=C(NCCc1ccccn1)c2ccccc23
CC2(C)CN(C(=O)C(=O)N1CCCC[C@@H]1CN)CCN2CCO	ZINC000643571192	O=C(N1CCCCC1)C(=O)N2CCNCC2
C[C@@]2(COc1ccccc1)NC(=O)NC2=O	ZINC000000114072	O=C2NC(COc1ccccc1)C(=O)N2
CCOC(=O)CC12CN(C)CC(CC(=O)OCC)(CN(C)C1)C2=O	ZINC000000359984	O=C1C2CNCC1CNC2
CS(=O)(=O)NCCC(=O)NCCS(=O)(=O)N1CCSCC1	ZINC000519932679	C1CSCCN1
NC(=S)NN=Cc1cc(=O)[nH]c(=O)[nH]1	ZINC000001868218	O=c1cc[nH]c(=O)[nH]1
COc1ccc(CC(=O)N(CC#N)CC#N)cc1	ZINC000000029287	c1ccccc1
O=C(CNC(=O)N2CCN(C(=O)C(=O)N1CCOCC1)CC2)NCC#N	ZINC000511910704	O=C(N1CCNCC1)C(=O)N2CCOCC2
CC(=O)Nc2ccc(NC(=O)c1ccccc1C(O)=O)cn2	ZINC000000153551	O=C(Nc1cccnc1)c2ccccc2
Cn2nnc([C@H](O)CN1CCCCC1)n2	ZINC000000248343	C2CCN(CCc1nn[nH]n1)CC2
NCC(F)(F)CNC(=O)[C@@H]1CCS(=O)(=O)N1	ZINC000653131074	O=S1(=O)CCCN1
NC(=O)[C@@H]1CCCN1CCCNC(=O)CSCC(=O)N2CCOCC2	ZINC000600231631	O=C(CSCC(=O)N1CCOCC1)NCCCN2CCCC2
COC[C@@H](C)NC(=O)NC(=O)CN2CCO[C@@H](CN1CCN(C)CC1)C2	ZINC000609276592	C2COC(CN1CCNCC1)CN2
OCCNC(=O)C=C1CC(=O)NC(=O)N1	ZINC000002712777	C=C1CC(=O)NC(=O)N1
NCC[C@@H]1NC(=O)[C@@H](CC(O)=O)NC1=O	ZINC000039097624	O=C1CNC(=O)CN1
NC(=O)c4ccc(N3C(=O)[C@@H]2[C@H]1C[C@H](C=C1)[C@@H]2C3=O)cc4	ZINC000000083362	O=C3C2C1CC(C=C1)C2C(=O)N3c4ccccc4
OC(=O)\C=C\C(=O)N3CCN(Cc2ccc1OCOc1c2)CC3	ZINC000000032116	C3CN(Cc2ccc1OCOc1c2)CCN3
CN(C)c2nc(N(C)C)nc(N1CC(=O)N(C)C1=O)n2	ZINC000000492674	O=C2CN(c1ncncn1)C(=O)N2
CCOc2ccc(S(=O)(=O)NCc1ccncc1)cc2	ZINC000000038956	O=S(=O)(NCc1ccncc1)c2ccccc2
CCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000039112183	C1CCCC1
Cc1ccccc1n2c(N)cc(=O)[nH]c2=O	ZINC000000171088	O=c2ccn(c1ccccc1)c(=O)[nH]2
CC(C)NS(=O)(=O)c2ccc([C@@H]1CNC(=O)C1)cc2	ZINC000000109381	O=C2CC(c1ccccc1)CN2
OC3(C(=O)N2CCC[C@@H](N1CCNCC1=O)C2)CNC3	ZINC000662767576	O=C1CNCCN1C3CCCN(C(=O)C2CNC2)C3
CC(=O)O[C@@H]1CO[C@@H](C#N)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000000033863	C1CCOCC1
CN(C)c1nc(SCC(N)=O)nc(N(C)C)n1	ZINC000000376904	c1ncncn1
C4Cc3nc1ncnn1c(Sc2nc[nH]n2)c3C4	ZINC000000156092	C4Cc3nc1ncnn1c(Sc2nc[nH]n2)c3C4
CN(C)c2ccc([C@@H]1NS(=O)(=O)N=C1N)cc2	ZINC000000236052	O=S2(=O)NC(c1ccccc1)C=N2
Cn1cc(Br)c(=O)n(C)c1=O	ZINC000000161371	O=c1cc[nH]c(=O)[nH]1
Clc3ccc(OCC(=O)Nc2cc(=O)n(c1ccccc1)[nH]2)cc3	ZINC000000083147	O=C(COc1ccccc1)Nc3cc(=O)n(c2ccccc2)[nH]3
NC2=NC[C@H](CN1CCOCC1)O2	ZINC000001857934	C2CN(CC1CN=CO1)CCO2
CN[C@@H](C(C)C)C(=O)N[C@H]1C[C@@](O)(C(=O)N[C@H](CC(C)C)C(N)=O)C[C@@H](O)[C@@H]1O	ZINC000003840175	C1CCCCC1
CCOC(=O)CNC(=O)c1ccccc1C(=O)NCC(O)=O	ZINC000001594569	c1ccccc1
NC(=O)C2CCN(CC(=O)Nc1ccccc1C#N)CC2	ZINC000000305857	O=C(CN1CCCCC1)Nc2ccccc2
CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c2ccccc2	ZINC000000068624	O=S(=O)(Nc1ncccn1)c2ccccc2
Cn1nc(C(F)(F)F)c2cc(C(O)=O)sc12	ZINC000000082896	c2cc1cn[nH]c1s2
CCNC(=O)CN1CCN(S(N)(=O)=O)CC1	ZINC000071834340	C1CNCCN1
COc3ccc(CC(=O)Nc2ccc1OCCOc1c2)cc3OC	ZINC000000044441	O=C(Cc1ccccc1)Nc3ccc2OCCOc2c3
Cn2c(=O)n(C)c1n(CC(N)=O)cnc1c2=O	ZINC000000299248	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CC(=O)Nc2c(O)nc(SCc1ccccc1)[nH]c2=O	ZINC000000452934	O=c2ccnc(SCc1ccccc1)[nH]2
O=C(N1CCCC1)C(=O)N3CCN(C[C@@H]2CNCCO2)CC3	ZINC000662251532	O=C(N1CCCC1)C(=O)N3CCN(CC2CNCCO2)CC3
OC(=O)C[C@H](NCc1ccccc1)C(O)=O	ZINC000000009349	c1ccccc1
CCOC(=O)NC(=O)c1cn(N)c(=O)[nH]c1=O	ZINC000001397125	O=c1cc[nH]c(=O)[nH]1
NCC2CCC(C(=O)Oc1ccc(CCC(O)=O)cc1)CC2	ZINC000000001112	O=C(Oc1ccccc1)C2CCCCC2
CC[C@H](C)Nc2nc1n(C)c(=O)n(C)c(=O)c1n2CC=C	ZINC000000079560	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CS(=O)(=O)NCC(=O)N1[C@H](CN)CC[C@@H]1CC(N)=O	ZINC000257220841	C1CCNC1
CNC(=O)NC(=O)[C@@H](C)NCC(N)=O	ZINC000020361883	nonring
O=C2C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)CN2C3CNC3	ZINC000725273102	O=C2CC(NS(=O)(=O)C1CCOC1)CN2C3CNC3
Nc3ncnc4n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1Oc2nc34	ZINC000004338327	C4CC3Oc2nc1cncnc1n2C3O4
CCCn1c(C)nc2c(=O)n(C)c(=O)[nH]c12	ZINC000000342267	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CC(=O)c2c(O)n(c1cccc(Cl)c1)c(=O)[nH]c2=O	ZINC000000342266	O=c2ccn(c1ccccc1)c(=O)[nH]2
Cn2c(=O)n(C)c1cc[nH]c1c2=O	ZINC000000342261	O=c2[nH]c(=O)c1[nH]ccc1[nH]2
CS(=O)(=O)N2CCN(c1ccc(F)cc1)CC2	ZINC000000029520	C2CN(c1ccccc1)CCN2
COc1ccccc1N2CCN(S(C)(=O)=O)CC2	ZINC000000029521	C2CN(c1ccccc1)CCN2
CC(C)NS(=O)(=O)CCNC(=O)CN1CC(=O)N(C)C1=O	ZINC000624885424	O=C1CNC(=O)N1
CN(C)CCN1CCN(C(=O)C(N)=O)CC1=O	ZINC000636120157	O=C1CNCCN1
CC(=O)Nn2c(=O)[nH]c1ccccc1c2=O	ZINC000000468193	O=c2[nH]c(=O)c1ccccc1[nH]2
CCS(=O)(=O)NCCNC(=O)NCC(C)(C)NS(C)(=O)=O	ZINC000069111161	nonring
COc2ccc(\C=C1\NC(=O)CN(C(C)=O)C1=O)cc2	ZINC000000048146	O=C2CNC(=O)C(=Cc1ccccc1)N2
O=C3NC[C@@H]2CN(S(=O)(=O)N1CCOCC1)CCN2C3=O	ZINC000330334506	O=C3NCC2CN(S(=O)(=O)N1CCOCC1)CCN2C3=O
O=C(COC1CNC1)NCC(=O)N2CCNCC2	ZINC000577220009	O=C(COC1CNC1)NCC(=O)N2CCNCC2
OCCN(CCO)c2ncnc3n(c1ccccc1)ncc23	ZINC000000426462	c3ccc(n1ncc2cncnc12)cc3
C(Nc1nonc1c2ccccc2)n3cnnn3	ZINC000000128716	C(Nc1nonc1c2ccccc2)n3cnnn3
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]2CNCCOC2	ZINC000643679703	O=C(CNC(=O)C1CNCCOC1)N2CCCC2
O=C(CNC(=O)c1cccc(N(=O)=O)c1)NNC(=O)C(=O)NC2CC2	ZINC000010214373	O=C(CNC(=O)c1ccccc1)NNC(=O)C(=O)NC2CC2
O=C(Nc1cccnc1)OCCN2CCOC2=O	ZINC000000067700	O=C(Nc1cccnc1)OCCN2CCOC2=O
CS(=O)(=O)Nc1ccccc1NS(C)(=O)=O	ZINC000000128929	c1ccccc1
CC(C)(C)OC(=O)N1CCC(N)(C(O)=O)CC1	ZINC000000066143	C1CCNCC1
C[C@@H](N)CNC(=O)c2nc1NCCCn1n2	ZINC000648129680	C2CNc1ncnn1C2
CN(C)S(=O)(=O)CCNC(=O)N(CCO)CCN1CCOCC1	ZINC000462731493	C1COCCN1
NC(=O)c2c(Br)n([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c3ncnc(N)c23	ZINC000004824373	C3COC(n1ccc2cncnc12)C3
NC(=S)CS(=O)(=O)c1ccccn1	ZINC000000120818	c1ccncc1
COc3ccc(OC)c(Cc2cnc1nc(N)nc(N)c1c2C)c3	ZINC000000000640	C(c1ccccc1)c3cnc2ncncc2c3
Nn2c(Cn1ccnc1)nnc2Cn3ccnc3	ZINC000000141306	C(c2nnc(Cn1ccnc1)[nH]2)n3ccnc3
N[C@@H](CC(=O)c1cc(Cl)ccc1N)C(O)=O	ZINC000000007614	c1ccccc1
NC(=O)CC3(CNC(=O)C2(n1cnnn1)CC2)CC3	ZINC000616366683	O=C(NCC1CC1)C3(n2cnnn2)CC3
C[C@@H](NC(=O)CN1CCN(S(N)(=O)=O)CC1)C(=O)N(C)C	ZINC000407990354	C1CNCCN1
C[C@@H](N)[C@H]1CN(C(=O)C(=O)N(C)CCNC(C)=O)CCO1	ZINC000647510534	C1COCCN1
C[C@H](NC(=O)C(=O)N2CCN1[C@H](C[C@@H](N)C1=O)C2)[C@@H]3CN(C)CCO3	ZINC000595279559	O=C3CCC2CN(C(=O)C(=O)NCC1CNCCO1)CCN23
NS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)NCC#C)cc1	ZINC000298764372	c1ccccc1
CS(=O)(=O)CC(=O)NC1CCCCC1	ZINC000000142651	C1CCCCC1
CCS(=O)(=O)C(=C1NCCN1)S(=O)(=O)CC	ZINC000000257880	C=C1NCCN1
CC(C)NC[C@@H](O)COc2c1occc1c(O)c3c(=O)cc(C)oc23	ZINC000000000397	O=c2ccoc3cc1occc1cc23
NCCCCCO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000222043895	C1CCOCC1
CN(CCS(=O)(=O)N(C)C)CC(=O)N1CCNCC1	ZINC000388025108	C1CNCCN1
CNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c2ccccc2	ZINC000004337021	O=S(=O)(N1CCOC1)c2ccccc2
CC(C)(C)OC(=O)Cn1ncn(N)c1=O	ZINC000000335053	O=c1[nH]cn[nH]1
CC2CCN(Cc1c(O)[nH]c(=O)[nH]c1=O)CC2	ZINC000000229373	O=c2[nH]cc(CN1CCCCC1)c(=O)[nH]2
COC(=O)c1ccccc1S(=O)(=O)CC#N	ZINC000000094961	c1ccccc1
Cn2c(=O)n(C)c1nc(N)cnc1c2=O	ZINC000000339589	O=c2[nH]c(=O)c1nccnc1[nH]2
N[C@H]1[C@H](O)[C@@H](O)CN2CC[C@H](O)[C@H]12	ZINC000039039006	C2CCN1CCCC1C2
Cc2cc(C)c(C=c1c(=O)[nH]c(=S)[nH]c1=O)[nH]2	ZINC000000111413	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccc[nH]2
NC(=O)CNC(=O)COc1ccccc1	ZINC000000162598	c1ccccc1
CCN2C[C@H](S(=O)(=O)NC[C@@H](O)CN1CCOCC1)CC2=O	ZINC000632122301	O=C2CC(S(=O)(=O)NCCCN1CCOCC1)CN2
Nc2cc(N)nc(SCC(=O)NC[C@@H]1CCCO1)n2	ZINC000000420141	O=C(CSc1ncccn1)NCC2CCCO2
NC(=O)CN(CC(N)=O)C(=O)Cn2nnc1ccccc1c2=O	ZINC000068340192	O=c1[nH]nnc2ccccc12
O=C(CSc1nc[nH]n1)Nc2ncccn2	ZINC000000050983	O=C(CSc1nc[nH]n1)Nc2ncccn2
COc2ccc1[nH]c(C(O)=O)c(CCNC(C)=O)c1c2	ZINC000000112920	c2ccc1[nH]ccc1c2
CCCS(=O)(=O)NC1CCN(C(=O)CNS(=O)(=O)NC)CC1	ZINC000559271997	C1CCNCC1
CC(CO)(CO)NS(=O)(=O)c1ccccc1	ZINC000000122716	c1ccccc1
CN(C)c1nc(N(C)C)nc(C(N)=O)n1	ZINC000000492887	c1ncncn1
CNS(=O)(=O)NCC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1	ZINC000569497721	C1CNCCN1
O=C(N2CCN(S(=O)(=O)c1ccccc1)CC2)c3ccc(=O)[nH]n3	ZINC000000543557	O=C(N2CCN(S(=O)(=O)c1ccccc1)CC2)c3ccc(=O)[nH]n3
CC(=O)c2ccc(OC[C@@H](O)CN1CCC(C(N)=O)CC1)cc2	ZINC000000119043	C2CCN(CCCOc1ccccc1)CC2
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H]2Nc1ccccc1S2	ZINC000000161584	C2Nc1ccccc1S2
COC(=O)C1(C(=O)OC)C(C)(C)C1(C(=O)OC)C(=O)OC	ZINC000000294595	C1CC1
CCOC(=O)[C@@H]1CNC(=O)C[C@@H]1C(=O)OCC	ZINC000000024927	O=C1CCCCN1
CC(C)CS(=O)(=O)CC(=O)N1CCN(CC(N)=O)C(=O)C1	ZINC000622691107	O=C1CNCCN1
C[C@@H]1C[N@@](CCO)[C@H](C)CN1C(=O)Cc2cnnn2C	ZINC000616341730	O=C(Cc1cnn[nH]1)N2CCNCC2
CCS(=O)(=O)N(CC(=O)N1CCCC1)c2ccc(OC)cc2	ZINC000000039333	O=C(CNc1ccccc1)N2CCCC2
C[C@@H]2O[C@@H](Nc1ccc(S(N)(=O)=O)cc1)[C@H](O)[C@H](O)[C@H]2O	ZINC000003949849	C2CCC(Nc1ccccc1)OC2
COc2ccc(COC(=O)c1nonc1N)cc2N(=O)=O	ZINC000000261936	O=C(OCc1ccccc1)c2cnon2
NC(=O)C3CCN(C1=NS(=O)(=O)c2ccccc12)CC3	ZINC000000240369	O=S3(=O)N=C(N1CCCCC1)c2ccccc23
COCCN1CC[C@@H](S(N)(=O)=O)C1	ZINC000407947492	C1CCNC1
OCC(CO)(CO)NC(=O)Nc1cccc(Cl)c1	ZINC000000140788	c1ccccc1
CN(CC(N)=O)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000047629407	O=c1cc[nH]c(=O)[nH]1
O=C1CCCN1CCNC(=O)C(=O)N3CCC[C@H](CN2CCOCC2)C3	ZINC000583329853	O=C1CCCN1CCNC(=O)C(=O)N3CCCC(CN2CCOCC2)C3
COC(=O)c1sccc1n2cc(C#N)c(=O)n(C)c2=O	ZINC000000169805	O=c2ccn(c1ccsc1)c(=O)[nH]2
COC(=O)COC(=O)c1ccccc1N(=O)=O	ZINC000000086653	c1ccccc1
CC[C@H]2C(=O)NC(SCC(=O)NC1CCCCC1)=NC2=O	ZINC000000064452	O=C(CSC1=NC(=O)CC(=O)N1)NC2CCCCC2
NC(=O)CSc2nnc(c1ccncc1)o2	ZINC000000181250	c2cc(c1nnco1)ccn2
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)\C=N/N3C(=O)[C@@H]2[C@H]1O[C@H](C=C1)[C@H]2C3=O	ZINC000004742787	O=C3NC(=O)C2C1OC(C=C1)C23
Cn3cc(N)c(C(=O)Nc2ccc1c(=O)[nH]c(=O)c1c2)n3	ZINC000000179067	O=C(Nc2ccc1c(=O)[nH]c(=O)c1c2)c3cc[nH]n3
CSc1nnc(C(C)(C)C)c(=O)n1N	ZINC000000039744	O=c1cnnc[nH]1
NC(=O)c3ccc(NC(=O)Cn2c(=O)c1ccccc1c2=O)cc3	ZINC000000116138	O=C(Cn2c(=O)c1ccccc1c2=O)Nc3ccccc3
NC(=O)C(NC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O	ZINC000042788878	O=c1cc[nH]c(=O)[nH]1
O=c1cnn4c(n1)sc3c(=O)n(c2ccccc2)c(=O)c34	ZINC000000113452	O=c1cnn4c(n1)sc3c(=O)n(c2ccccc2)c(=O)c34
CO[C@@H]1OC[C@@H](NC(C)=O)[C@@H](O)[C@H]1O	ZINC000004896640	C1CCOCC1
CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1	ZINC000000182507	C1CCNCC1
O=c3[nH]c(=O)c2nnc(N1CCCCC1)nc2[nH]3	ZINC000000320416	O=c3[nH]c(=O)c2nnc(N1CCCCC1)nc2[nH]3
O=C(c2ccc1c(=O)[nH]c(=O)c1c2)c4ccc3c(=O)[nH]c(=O)c3c4	ZINC000000056857	O=C(c2ccc1c(=O)[nH]c(=O)c1c2)c4ccc3c(=O)[nH]c(=O)c3c4
CN(C)c2ccc(C=NNC1=NCCN1)cc2	ZINC000000144978	C2CN=C(NN=Cc1ccccc1)N2
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]2COCCN2	ZINC000627470375	O=C(NCC1COCCN1)C(=O)N2CCCC2
CC(CNS(C)(=O)=O)CNS(C)(=O)=O	ZINC000332477587	nonring
CCOC(=O)CC(=O)Nc1ccc(Br)cc1C(O)=O	ZINC000000045279	c1ccccc1
Nc2[n@](c1ccccc1)[nH]c3cc(=O)[nH]c(=O)c23	ZINC000000064044	O=c3cc2[nH]n(c1ccccc1)cc2c(=O)[nH]3
CNS(=O)(=O)NCC(=O)N[C@@H]2CCCCN(Cc1nc(C)no1)C2=O	ZINC000643958837	O=C1CCCCCN1Cc2ncno2
Cn2cc(S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1)c(=O)n(C)c2=O	ZINC000024345326	O=c2[nH]cc(S(=O)(=O)NC1CCS(=O)(=O)C1)c(=O)[nH]2
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)NC23CC1CC(CC(C1)C2)C3	ZINC000005411527	C1C2CC3CC1CC(C2)C3
Cc2nn(CC(=O)NC[C@@H]1CCCO1)c(=O)c3ccccc23	ZINC000000098808	O=C(Cn2ncc1ccccc1c2=O)NCC3CCCO3
COC(=O)[C@@]12COC(=O)[C@@H]1COC2=O	ZINC000001723461	O=C1OCC2C1COC2=O
COC(=O)CSc1nnc(SCC(=O)OC)n1C	ZINC000000131818	c1nnc[nH]1
O=C(NCCNC(=O)c1cnccn1)C(=O)N3CCN2CCOC[C@@H]2C3	ZINC000557278243	O=C(NCCNC(=O)c1cnccn1)C(=O)N3CCN2CCOCC2C3
CCOC(=O)[C@@]12CNC(=O)[C@@](C(=O)OCC)(CNC1=O)C2	ZINC000000188120	O=C1NCC2CC1CNC2=O
COC(=O)[C@@H]1CNC(=O)CN1C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2	ZINC000584027879	O=C2CN(C(=O)c1ccc[nH]1)CCN2
CCCN(CC(=O)NC)C(=O)C(=O)NCCN	ZINC000042405102	nonring
COC(=O)NC(=O)c1cn(CC=C)c(=O)[nH]c1=O	ZINC000000481106	O=c1cc[nH]c(=O)[nH]1
Nc3nc(N)c2ncn([C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F)c2n3	ZINC000003783114	C3COC(n1cnc2cncnc12)C3
COc1cccc(NN=C(C#N)C(N)=O)c1	ZINC000000130491	c1ccccc1
COc2ccc(Cc1nnc(SC)n(N)c1=O)cc2	ZINC000000344275	O=c1[nH]cnnc1Cc2ccccc2
CNS(=O)(=O)NCC(=O)NCC1(CC(N)=O)CC1	ZINC000518204969	C1CC1
C[C@H]2N(C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1)CN(C)C2=O	ZINC000647571957	O=C2CN(C(=O)C(=O)N1CNC(=O)C1)CCN2
CCC(=O)N1CCCN(C(=O)[C@@H](N)CC(N)=O)CC1	ZINC000038101557	C1CNCCNC1
COC(=O)CN(C)S(=O)(=O)N1CCNCC1	ZINC000020247245	C1CNCCN1
Cn3c(=O)[nH]c(=O)c4n(Cc1ccccc1)c2nncn2c34	ZINC000000402611	O=c4[nH]c(=O)c3n(Cc1ccccc1)c2nncn2c3[nH]4
COc1ccc(NC(=S)N(N)CCO)cc1	ZINC000000104949	c1ccccc1
CCOC(=O)c1c(C)n(C)c2cc(Br)c(O)cc12	ZINC000000036687	c2ccc1[nH]ccc1c2
N[C@H]1[C@@H](O)O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000001280388	C1CCOCC1
COC(=O)COCC(=O)N2C[C@@H](O)[C@H](Oc1cnn(C)c1)C2	ZINC000600158742	C2CC(Oc1cn[nH]c1)CN2
Nc2c(C#N)c(c1ccccc1)c(C#N)c(=O)n2N	ZINC000000164292	O=c2cc(c1ccccc1)cc[nH]2
Cc1cc(N(=O)=O)nn1CC(=O)N2CCOCC2	ZINC000000037370	O=C(Cn1cccn1)N2CCOCC2
N[C@@H]1[C@H](O)[C@@H](CC[P@](O)(O)=O)O[C@H]1n2ccc(=O)[nH]c2=O	ZINC000073278357	O=c2ccn(C1CCCO1)c(=O)[nH]2
C[C@@H]2CN(S(=O)(=O)c1c(C)noc1C)C[C@@H](C)O2	ZINC000000112140	O=S(=O)(N1CCOCC1)c2cnoc2
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N2CCC(C(=O)NCC(O)=O)CC2	ZINC000004301930	O=C(CNS(=O)(=O)c1ccccc1)N2CCCCC2
COC(=O)[C@@H](NS(=O)(=O)N(C)C)[C@@H](C)O	ZINC000332512914	nonring
OC(=O)[C@@H]2CCN(S(=O)(=O)CCNS(=O)(=O)c1ccccc1)C2	ZINC000261627059	O=S(=O)(CCNS(=O)(=O)c1ccccc1)N2CCCC2
CS(=O)(=O)Nc2ccc(S(=O)(=O)N1CCOCC1)cc2	ZINC000000036971	O=S(=O)(N1CCOCC1)c2ccccc2
COC(=O)c2cn(CC(=O)NC[C@@H](O)[C@@H]1CCCO1)nn2	ZINC000600238273	O=C(Cn1ccnn1)NCCC2CCCO2
O=C(CNC(=O)[C@@H]1CNCCOC1)N2CCNCC2	ZINC000647689883	O=C(CNC(=O)C1CNCCOC1)N2CCNCC2
CC(C)[C@@H](NC(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N2CCOCC2)C(C)=O	ZINC000533519213	O=S2(=O)CCC(N1CCOCC1)C2
CN(CCNC(C)=O)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c12	ZINC000583936593	O=c2[nH]c(=O)c1cc[nH]c1[nH]2
CNC(=O)CNC(=O)CN1CCNCC1	ZINC000037225107	C1CNCCN1
Cc2ccc(S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1)cc2	ZINC000001621282	O=C(COS(=O)(=O)c1ccccc1)Nc2ccccc2
Cn3c(=O)n(C)c2ncn(C/C=C/c1ccccc1)c2c3=O	ZINC000000093639	O=c3[nH]c(=O)c2n(CC=Cc1ccccc1)cnc2[nH]3
CNC(=O)[C@@H]2CN(C[C@H](O)[C@@H](N)Cc1ccccc1)CCO2	ZINC000583934995	C(CCc1ccccc1)CN2CCOCC2
OC(=O)c1cnccc1C(=O)NCCc2ccccc2	ZINC000000095153	O=C(NCCc1ccccc1)c2ccncc2
CC(=O)N1[C@@H](O)[C@H](O)N(C(C)=O)C1=O	ZINC000000052916	O=C1NCCN1
Cc1[nH]c(=O)[nH]c(=O)c1C(N)=O	ZINC000000392345	O=c1cc[nH]c(=O)[nH]1
O[C@]13OCCO[C@]1(O)C(=O)c2ccccc2C3=O	ZINC000000047126	O=C2C1OCCOC1C(=O)c3ccccc23
OC(=O)[C@@H](Cc1ccc(O)cc1)n3c(=O)c2ccccc2c3=O	ZINC000000378451	O=c2n(CCc1ccccc1)c(=O)c3ccccc23
CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)C2COC2	ZINC000625628965	O=S(=O)(C1COC1)N2CCOCC2
Cc2cc1OCCn1c(=O)c2C(N)=O	ZINC000000035376	O=c2cccc1OCCn12
CCOC(=O)[C@@H]2[C@@H](c1ccco1)[C@H](C(=O)OCC)[C@](C)(O)CC2=O	ZINC000000044117	O=C2CCCC(c1ccco1)C2
Cc1cc(=O)[nH]c(=O)n1CCO	ZINC000000334794	O=c1cc[nH]c(=O)[nH]1
C[N@@](C[C@@H](O)C1CC1)CC(=O)N2CCNC(=O)C2	ZINC000079770455	O=C2CN(C(=O)CNCCC1CC1)CCN2
Cn2ncc(NC(=O)c1ccccc1)c2C(N)=O	ZINC000000040636	O=C(Nc1cn[nH]c1)c2ccccc2
CC(=O)N[C@@H](O)[C@H](O)NC(C)=O	ZINC000003668823	nonring
COCCNC(=O)Cn2cc(NS(=O)(=O)N1CCCOCC1)cn2	ZINC000650183106	O=S(=O)(Nc1cn[nH]c1)N2CCCOCC2
Cc1nc(N(=O)=O)c(S(=O)(=O)CC(N)=O)n1Cc2ccccc2	ZINC000000497192	C(c1ccccc1)n2ccnc2
CC(=O)NCCN[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000037487572	O=S1(=O)CCCC1
Cn3c(=O)/c(=c2\sc1=NCCCn1c2=O)c4ccccc34	ZINC000000269277	O=c2[nH]c1ccccc1c2=c4sc3=NCCCn3c4=O
COc2cc(n1c(=O)ccc1=O)cc(OC)c2OC	ZINC000000097526	O=c1ccc(=O)n1c2ccccc2
O=C(Cc1c[nH]c(=O)[nH]c1=O)n2ccnc2	ZINC000000408143	O=C(Cc1c[nH]c(=O)[nH]c1=O)n2ccnc2
CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)Cn2ccc(=O)[nH]c2=O	ZINC000583344467	O=C(Cn1ccc(=O)[nH]c1=O)NCC2CCCCN2
COC(=O)CCn3cc(C=c1c(=O)[nH]c(=O)[nH]c1=O)c(c2ccccc2)n3	ZINC000003214520	O=c3[nH]c(=O)c(=Cc1c[nH]nc1c2ccccc2)c(=O)[nH]3
CC2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O2	ZINC000000120392	C2CC1OCOC1O2
COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c2cccnc2N(=O)=O	ZINC000577583882	O=C2CN(S(=O)(=O)c1cccnc1)CCN2
O=C3CN(CC(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)C(=O)N3	ZINC000575058610	O=C3CN(CC(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)C(=O)N3
COc2ccc(N1C[C@@H](C(N)=O)CC1=O)cc2	ZINC000000088687	O=C1CCCN1c2ccccc2
NC(=O)CN2CCN(C(=O)CCCNC(=O)C1CC1)CC2=O	ZINC000622690918	O=C2CN(C(=O)CCCNC(=O)C1CC1)CCN2
C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)C(=O)N(C)C	ZINC000342707191	O=c1cc[nH]c(=O)[nH]1
Cc1cc(C)c(C#N)c(SCC(=O)NCC(O)=O)n1	ZINC000000084515	c1ccncc1
COC(=O)[C@H]2SCC(NNS(=O)(=O)c1ccc(C)cc1)=C2C(=O)OC	ZINC000000644700	O=S(=O)(NNC1=CCSC1)c2ccccc2
CNS(=O)(=O)NCC(=O)N1CCO[C@@H](CF)C1	ZINC000583941335	C1COCCN1
CCN(CCO)C(=O)C=C1CC(=O)NC(=O)N1	ZINC000002712758	C=C1CC(=O)NC(=O)N1
CN(C)[C@@H]3CCN(C(=O)C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)C3	ZINC000643569950	O=C(N1CCCC1)C(=O)N3CC(S(=O)(=O)N2CCNCC2)C3
CS(=O)(=O)NCCc1ccc(C(=O)NC(C(N)=O)C(N)=O)cc1	ZINC000022877593	c1ccccc1
COC(=O)[C@@H](Cc1ccccc1)NC(C)=O	ZINC000000087573	c1ccccc1
O=C(COc2cccc(n1cnnn1)c2)N3CCOCC3	ZINC000000420467	O=C(COc2cccc(n1cnnn1)c2)N3CCOCC3
NS(=O)(=O)c2ccc(CCNC(=S)NCc1ccco1)cc2	ZINC000000612862	S=C(NCCc1ccccc1)NCc2ccco2
COC(=O)c1ccccc1NC(=O)COC(=O)c2ccn(C)n2	ZINC000000171067	O=C(COC(=O)c1cc[nH]n1)Nc2ccccc2
CN3CCN2CCN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C[C@H]2C3=O	ZINC000065432432	O=C(Cc1c[nH]c(=O)[nH]c1=O)N3CCN2CCNC(=O)C2C3
NC(=O)CN3CCN(C(=O)C(=O)N2CC[N@]1CCC[C@@H]1C2)CC3=O	ZINC000410527075	O=C3CN(C(=O)C(=O)N2CCN1CCCC1C2)CCN3
O=N(=O)c3cccc(c2noc(CN1CCCC1)n2)c3	ZINC000000139011	C3CCN(Cc2nc(c1ccccc1)no2)C3
COCC[N@]2CC[C@@H](NC(=O)N[C@@H]1CCNC1=O)C2	ZINC000660705877	O=C(NC1CCNC1)NC2CCNC2=O
Cc1cc(CC(=O)NCCO)n(CCO)c(=O)c1	ZINC000001623077	O=c1cccc[nH]1
CCN(CCO)C(=O)Cn2c(=O)c1ccccc1c2=O	ZINC000000519944	O=c1[nH]c(=O)c2ccccc12
CNC(=O)[C@@H](C)NC(=O)[C@]12CNC[C@H]1COC2	ZINC000653074892	C1NCC2COCC12
Cn2ccc(C(=O)N1CCN(CCO)CC1)cc2=O	ZINC000035199884	O=C(N1CCNCC1)c2cc[nH]c(=O)c2
CCOC(=O)C1=C(C)NC(=O)[C@@H](C(N)=O)[C@@H]1c2ccccc2	ZINC000000185550	O=C2CC(c1ccccc1)C=CN2
CC(=O)Nc2ccc(NC(=O)c1ccc(N(=O)=O)o1)cc2	ZINC000000049987	O=C(Nc1ccccc1)c2ccco2
O=C2CN(C(=O)OCc1ccccc1)CCN2	ZINC000000161392	O=C2CN(C(=O)OCc1ccccc1)CCN2
CNS(=O)(=O)[C@@H]2CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C2	ZINC000533545599	O=C(CN1CCCC1)N2CCNCC2
CC(=O)N[C@@H]1CN[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000022046682	C1CCNCC1
CNS(=O)(=O)NCCC[N@]1CCC[C@H]1C(N)=O	ZINC000625378585	C1CCNC1
COC(=O)[C@@H](O)CNC(=O)CN1CCN(S(C)(=O)=O)CC1	ZINC000352527238	C1CNCCN1
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]2CN(C)C(=O)N2	ZINC000617869573	O=C2NCC(C(=O)NC1CCS(=O)(=O)C1)N2
CS(=O)(=O)N2CCN(CC(=O)N1CCO[C@@H](CO)C1)CC2	ZINC000427996745	O=C(CN1CCNCC1)N2CCOCC2
O=S(=O)(N[C@H]1CCN(C#N)C1)c2ccccc2	ZINC000000008873	O=S(=O)(NC1CCNC1)c2ccccc2
OCC(CO)NCC(=O)N2CCN(S(=O)(=O)c1cccc(F)c1)CC2	ZINC000518212134	O=S(=O)(N1CCNCC1)c2ccccc2
CN2C[C@@H](C(=O)NCC1(CS(C)(=O)=O)CCC1)NC2=O	ZINC000616315722	O=C2NCC(C(=O)NCC1CCC1)N2
CNC(=O)NC(=O)CN(CC(=O)NC(=O)NC)S(C)(=O)=O	ZINC000040512813	nonring
Cc3cc(=O)n([C@@H](NC(=O)c1ccccc1)C(=O)c2ccccc2)cn3	ZINC000000044936	O=C(NC(C(=O)c1ccccc1)n2cnccc2=O)c3ccccc3
CS(=O)(=O)NCCCNC(=O)CN1CCCC1=O	ZINC000044706592	O=C1CCCN1
Nc2c(C#N)c1nc(C#N)c(C#N)nc1n2CC=C	ZINC000000138300	c2cnc1[nH]ccc1n2
Cc3ccc(c2nnn(CC(=O)N1CCC(C(N)=O)CC1)n2)cc3	ZINC000000410988	O=C(Cn2nnc(c1ccccc1)n2)N3CCCCC3
COC(=O)C3=C[C@@]2(CC(=O)N(c1ccccc1)C2=O)NN3	ZINC000000535135	O=C2CC1(NNC=C1)C(=O)N2c3ccccc3
NC(=O)Cn3cnc2nc1CCCn1c2c3=O	ZINC000000478637	O=c2[nH]cnc3nc1CCCn1c23
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@]1(COC)C(=O)NC	ZINC000643703935	C1CCNC1
NC(=N)NCCNC(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000002904403	O=c1[nH]ncc2ccccc12
Nc2ncnc3n([C@@H]1C[C@@H](O)[C@@H](O)[C@H]1O)cnc23	ZINC000003600042	C3CCC(n1cnc2cncnc12)C3
C[C@H]3N(C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c12)CCCNC3=O	ZINC000530468515	O=C3CN(C(=O)Cn1ccc2c(=O)[nH]c(=O)[nH]c12)CCCN3
Cc1[nH]c(C)c(C(=O)NN)c(=O)c1Br	ZINC000000390767	O=c1cc[nH]cc1
CNS(=O)(=O)CC(=O)N1CCN(C(=O)CS(=O)(=O)NC)[C@@H](C)C1	ZINC000435364277	C1CNCCN1
CNS(=O)(=O)[C@@H]2CCN(C(=O)NCC(=O)N1CCCC1)C2	ZINC000533392104	O=C(CNC(=O)N1CCCC1)N2CCCC2
COc1ccc(C(N)=O)cc1n2c(=O)ccc2=O	ZINC000000426196	O=c1ccc(=O)n1c2ccccc2
CO[C@H]3C[C@H](C(=O)N2CC[N@]1C[C@H](O)C[C@H]1C2)N(S(C)(=O)=O)C3	ZINC000655294899	O=C(C1CCCN1)N3CCN2CCCC2C3
OC[C@H]2O[C@H](n1ccc(O)c(Cl)c1=O)[C@@H](O)[C@@H]2O	ZINC000001608282	O=c1ccccn1C2CCCO2
COCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000560938820	C1CCNCC1
CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CN(C)C(=O)C1	ZINC000261584199	O=C1CCCN1
O[C@H]1CN[C@H](C(=O)NCC(O)=O)C1	ZINC000004899451	C1CCNC1
CCN2CCN(CC(=O)NC[C@@]1(O)CCOC1)C(=O)C2=O	ZINC000533716732	O=C(CN1CCNC(=O)C1=O)NCC2CCOC2
O=C(Cc1cccs1)Nn2nnnc2Nc3ccccc3	ZINC000000055390	O=C(Cc1cccs1)Nn2nnnc2Nc3ccccc3
CS(=O)(=O)N2CCN(S(=O)(=O)NC[C@@H](O)CN1CCOCC1)CC2	ZINC000677314628	O=S(=O)(NCCCN1CCOCC1)N2CCNCC2
Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)cc1S(N)(=O)=O	ZINC000003953917	c1ccccc1
CCC[C@]1(CC(O)=O)OCCc2c1[nH]c3ccccc23	ZINC000000000662	C1Cc2c(CO1)[nH]c3ccccc23
O=CNc2ccc(C1=NNC(=O)CC1)cc2	ZINC000000040350	O=C2CCC(c1ccccc1)=NN2
OC[C@H]2CO[C@H](n1cc(C=CC(O)=O)c(=O)[nH]c1=O)[C@H]2O	ZINC000000158458	O=c2ccn(C1CCCO1)c(=O)[nH]2
CN(C)S(=O)(=O)N3CC(Nc2nc1cc(S(N)(=O)=O)ccc1[nH]2)C3	ZINC000624709562	C1NCC1Nc3nc2ccccc2[nH]3
O=C(NCC#N)C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000037243043	O=S1(=O)CCCC1
COCC(C)(C)N2CCN(C(=O)Cn1cnc(C(N)=O)n1)CC2	ZINC000650110534	O=C(Cn1cncn1)N2CCNCC2
COC(=O)Cn1ccc(N(C)C)c(C#N)c1=O	ZINC000000539920	O=c1cccc[nH]1
COc1ccc(S(=O)(=O)NN)cc1	ZINC000000256150	c1ccccc1
CC2(C(=O)NCC(=O)N1CCNCC1)CNC2	ZINC000564835866	O=C(CNC(=O)C1CNC1)N2CCNCC2
COc1ccccc1N(CC(N)=O)S(=O)(=O)c2ccccc2	ZINC000000055020	O=S(=O)(Nc1ccccc1)c2ccccc2
CN(C)S(=O)(=O)NCC(=O)N2CCN(c1ccc(C(N)=O)cn1)CC2	ZINC000616485690	C2CN(c1ccccn1)CCN2
Cn3c(=O)n(C)c2nc(Cl)n(Cc1ccncc1)c2c3=O	ZINC000000098060	O=c3[nH]c(=O)c2n(Cc1ccncc1)cnc2[nH]3
Fc3ccc(S(=O)(=O)CCSc1n[nH]c(=O)n1C2CC2)cc3	ZINC000000155236	O=c2[nH]nc(SCCS(=O)(=O)c1ccccc1)n2C3CC3
C[C@@H]2COC1(CCCC1)CN2C(=O)C(=O)N3CCN(CC(N)=O)C(=O)C3	ZINC000658878201	O=C3CN(C(=O)C(=O)N2CCOC1(CCCC1)C2)CCN3
OC[C@]12O[C@H](C=C1)[C@@H]4[C@H]2C(=O)N(c3ccccc3)C4=O	ZINC000000275043	O=C3C2C1OC(C=C1)C2C(=O)N3c4ccccc4
COc2ccc([C@@H]1NC(=O)O[C@@H]1CO)cc2	ZINC000000007490	O=C2NC(c1ccccc1)CO2
CS(=O)(=O)N2CC[C@@H](NC(=O)NC[C@@H](N)C1CC1)C2	ZINC000583939548	O=C(NCCC1CC1)NC2CCNC2
C[N+]2(C[C@@H](O)CN1CCCC1=O)CCCCCC2	ZINC000000028364	O=C1CCCN1CCCN2CCCCCC2
CC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O	ZINC000002015202	c1ccccc1
COc2ccc([C@@]1(CO)O[C@@H](CO)[C@@H](O)[C@@H]1O)cc2	ZINC000001686602	C2COC(c1ccccc1)C2
COc1cc(CO)ccc1OCC(=O)N2CCOCC2	ZINC000000571381	O=C(COc1ccccc1)N2CCOCC2
C[C@@H](O)C[N@]2CCN(C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1)C[C@H]2C	ZINC000410520297	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
CN3C[C@@H](NC(=O)[C@@H]1CNC[C@H]1c2cnn(C)c2)CC3=O	ZINC000653081446	O=C3CC(NC(=O)C1CNCC1c2cn[nH]c2)CN3
O[C@H]2CN(C(=O)CN1CCCC1)C[C@@H]2N3CCOCC3	ZINC000584903473	O=C(CN1CCCC1)N3CCC(N2CCOCC2)C3
CNS(=O)(=O)CC(=O)NC[C@@](C)(O)C(F)(F)F	ZINC000332495224	nonring
NCCNC(=O)[C@@H]2CCCN(S(=O)(=O)C1COC1)C2	ZINC000624353823	O=S(=O)(C1COC1)N2CCCCC2
CNS(=O)(=O)NCCN(CCO)S(=O)(=O)NC	ZINC000656989277	nonring
COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)C(=O)NCCN(C)C	ZINC000556903507	c1ccccc1
O[C@@H]2COCCN(S(=O)(=O)C1COC1)C2	ZINC000583333128	O=S(=O)(C1COC1)N2CCCOCC2
CCn1ccnc1CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2	ZINC000650128253	O=S(=O)(NCc1ncc[nH]1)N2CCNCC2
CNC(=O)[C@@H]2CN(C(=O)C(=O)N1CCN[C@@H](C(C)C)C1)CCO2	ZINC000643544293	O=C(N1CCNCC1)C(=O)N2CCOCC2
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N2CCCC2	ZINC000000496037	O=c2[nH]cc(S(=O)(=O)N1CCCC1)c(=O)[nH]2
CNS(=O)(=O)CCNC(=O)[C@@H]1C[N@]2CCCN1CC2	ZINC000364145529	C1CN2CCN(C1)CC2
Nc2ccc(OCC(=O)N1CCOCC1)cc2	ZINC000000052111	O=C(COc1ccccc1)N2CCOCC2
OC[C@H]1OCO[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000004521673	C1CCOCOC1
OC[C@H]1C[C@]1(CO)Cn2cc(C=CBr)c(=O)[nH]c2=O	ZINC000000006344	O=c2ccn(CC1CC1)c(=O)[nH]2
C[N+]13CN2CN(C1)S(=O)(=O)N(C2)C3	ZINC000019319479	O=S2(=O)N1CN3CN(C1)CN2C3
OC[C@@H]3O[C@@H](c1[nH]nc2c(=O)[nH]cnc12)[C@H](O)[C@@H]3O	ZINC000004771881	O=c2[nH]cnc3c(C1CCCO1)[nH]nc23
OC(=O)COc2ccc(S(=O)(=O)N1CCNC(=O)C1)cc2	ZINC000036969621	O=C2CN(S(=O)(=O)c1ccccc1)CCN2
CCOC(=O)c1ncn(CC(=O)OC)c1N	ZINC000000517489	c1c[nH]cn1
NCC(F)(F)CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1	ZINC000427324718	c1cc[nH]c1
C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](O)[C@@H](O)C1	ZINC000625355854	C1CCNC1
CN(C)CCN2CCN(C(=O)Cn1c(=O)n(C)c(=O)c1=O)CC2=O	ZINC000650305457	O=C2CN(C(=O)Cn1c(=O)[nH]c(=O)c1=O)CCN2
CO[C@H]1O[C@H](CO)[C@@H](N(C)C(C)=O)[C@@H]1O	ZINC000001703628	C1CCOC1
CCNS(=O)(=O)[C@H]1CCN(C(=O)CNS(=O)(=O)CCCOC)C1	ZINC000371400788	C1CCNC1
O=c3[nH]c(=O)c(=C/c2ccc(N1CCOCC1)o2)\[nH]3	ZINC000000088982	O=c3[nH]c(=O)c(=Cc2ccc(N1CCOCC1)o2)[nH]3
O=C3C[C@@H](C(=O)N2CCN(C(=O)C1CC1)C2)NC(=O)N3	ZINC000616382399	O=C3CC(C(=O)N2CCN(C(=O)C1CC1)C2)NC(=O)N3
COc3ccc(Nc2cc(C)nc(N1CCOCC1)n2)cc3	ZINC000000123026	C3CN(c2nccc(Nc1ccccc1)n2)CCO3
OC[C@@H]2O[C@H](O)[C@H](NC(=O)c1ccccc1)[C@@H](O)[C@@H]2O	ZINC000004886994	O=C(NC1CCCOC1)c2ccccc2
Cc2nnc1c(=O)n(C)c(=O)n(C)c1n2	ZINC000000032893	O=c2[nH]c(=O)c1nncnc1[nH]2
COCCOc2cncc(C(=O)N1CCN(CC(N)=O)C(=O)C1)c2	ZINC000622691387	O=C2CN(C(=O)c1cccnc1)CCN2
OCCN1CCOCCOCCOCC1	ZINC000000254786	C1COCCOCCOCCN1
CCCc2cnc(N1CCN(S(C)(=O)=O)CC1)nc2	ZINC000000152585	C2CN(c1ncccn1)CCN2
O=C1CNC(=O)C1=CNNc2ccccc2	ZINC000000179040	O=C1CNC(=O)C1=CNNc2ccccc2
CO[C@@H]1CS(=O)(=O)C[C@@H]1NCC(O)=O	ZINC000003123997	O=S1(=O)CCCC1
Cn1c(=O)[nH]c(=O)c2ncn(CC(=O)C(C)(C)C)c12	ZINC000000126768	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
NCC(=O)NCC(=O)N2CCN(Cc1ccncc1)CC2	ZINC000037800392	C2CN(Cc1ccncc1)CCN2
N[C@H](CSc2c(N)c(=O)c1ccccc1c2=O)C(O)=O	ZINC000000408353	O=c1ccc(=O)c2ccccc12
COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N2CCNC(=O)C2	ZINC000447902821	O=C2CN(CC(=O)N1CCNC(=O)C1)CCN2
O=C2CN(CCNC(=O)NC[C@@H]1COCCN1)CCN2	ZINC000627011938	O=C2CN(CCNC(=O)NCC1COCCN1)CCN2
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc3ccco3	ZINC000000329110	O=C(CCc1c[nH]c2ccccc12)NCc3ccco3
CNCCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000036298026	O=c1cc[nH]c(=O)[nH]1
COC(=O)CN(CCN1CCN(C)CC1)C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2	ZINC000597613284	O=C(NCCN1CCNCC1)C2=CCCCC2
Cn3c(=O)n(C)c2nc(c1ccccc1)cn(=O)c2c3=O	ZINC000000390573	O=c3[nH]c(=O)c2n(=O)cc(c1ccccc1)nc2[nH]3
Cc2c(C(=O)N(CCO)CCO)n(=O)c1ccccc1n2=O	ZINC000001624235	O=n1ccn(=O)c2ccccc12
CCn2ccc(C(=O)N1CCN(S(N)(=O)=O)CC1)n2	ZINC000583936827	O=C(N1CCNCC1)c2cc[nH]n2
CCN1[C@@H](OC(C)=O)[C@H](OC(C)=O)N(CC)C1=O	ZINC000000226885	O=C1NCCN1
C[C@H](O)[C@H](O)[C@H](O)C(\C=N\NC(N)=S)=N\NC(N)=S	ZINC000104113923	nonring
CC[C@@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1	ZINC000038101535	C1CNCCN1
COCC(=O)N1CCN(C(=O)CN)CC1	ZINC000037814531	C1CNCCN1
CCOc2ccc(CC(=O)NCc1cn(C)nc1C)cc2OCC	ZINC000000045660	O=C(Cc1ccccc1)NCc2cn[nH]c2
Cc2cc(C)c(S(=O)(=O)Nc1nc(C)cc(C)n1)c(C)c2	ZINC000000045663	O=S(=O)(Nc1ncccn1)c2ccccc2
O=C(N2CCN(C(=O)c1ccccn1)CC2)c3ccccn3	ZINC000000022418	O=C(N2CCN(C(=O)c1ccccn1)CC2)c3ccccn3
CCN2OCN(c1nc(N(C)C)nc(N(C)C)n1)C2=N	ZINC000000182385	N=C1NOCN1c2ncncn2
NC(=O)CN2CCN(C(=O)c1ccsn1)CC2=O	ZINC000622691316	O=C2CN(C(=O)c1ccsn1)CCN2
NC(=O)CN2Cc1ccccc1OC2=O	ZINC000000001095	O=C2NCc1ccccc1O2
COc2cc(NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1)ncn2	ZINC000628032380	O=C(NC1CNC1)C(=O)Nc2ccncn2
O=C(CN1CCS(=O)(=O)CC1)NNC(=O)[C@@H]3COc2ccccc2O3	ZINC000044875479	O=C(CN1CCS(=O)(=O)CC1)NNC(=O)C3COc2ccccc2O3
CCOC(=O)[C@@H]2CS[C@@H](CC(=O)Nc1ccccc1)C(=O)N2	ZINC000000079631	O=C(CC1SCCNC1=O)Nc2ccccc2
O=C(N2CCN([C@@H]1CCNC1)CC2)c4ccc3nnnn3c4	ZINC000517744861	O=C(N2CCN(C1CCNC1)CC2)c4ccc3nnnn3c4
Cn3c2NC(N1CCNCC1)Nc2c(=O)n(C)c3=O	ZINC000017043853	O=c3[nH]c2NC(N1CCNCC1)Nc2c(=O)[nH]3
CN2CCN(c1[nH]c(=O)nnc1C)CC2	ZINC000000138513	O=c2nncc(N1CCNCC1)[nH]2
Cn2nc(c1nn(C)c(=O)n(C)[nH]1)[nH]n(C)c2=O	ZINC000001580064	O=c2[nH]nc(c1n[nH]c(=O)[nH][nH]1)[nH][nH]2
OC(=O)CC[C@]2(c1ccccc1)NC(=O)NC2=O	ZINC000001670877	O=C2NC(c1ccccc1)C(=O)N2
CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000000001272	c1ccccc1
CN(C)[C@H]2CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C[C@@H]2O	ZINC000615081171	O=C2CC(C(=O)N1CCCC1)NC(=O)N2
NCC(=O)N[C@H]1CCC(=O)N(CC(O)=O)C1=O	ZINC000049089442	O=C1CCCC(=O)N1
COC(=O)c1ccc(NC(=S)NN)cc1	ZINC000000134359	c1ccccc1
CNS(=O)(=O)NCC(=O)N1CCCN(CC(=O)NCC#C)CC1	ZINC000491118699	C1CNCCNC1
Cc1ccccc1n3c(=O)cc(N2CCC(C(N)=O)CC2)[nH]c3=O	ZINC000000252646	O=c2cc(N1CCCCC1)[nH]c(=O)n2c3ccccc3
O[C@H](Cn1c(=O)ccc1=O)[C@H](O)Cn2c(=O)ccc2=O	ZINC000025722727	O=c1ccc(=O)n1CCCCn2c(=O)ccc2=O
CN(CCO)C(=O)C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2	ZINC000331981833	O=S(=O)(C1CNC1)N2CCNCC2
C[C@H](N)C[C@@H](C)NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC1CC1)CC2	ZINC000583934467	O=C(CN1CCNCC1)NC2CC2
CC[N@]1CCC[C@@H]1CNc2nn(C)c(=O)n(C)c2=O	ZINC000035179367	O=c2[nH]nc(NCC1CCCN1)c(=O)[nH]2
C[N@]1[C@H]3CC[C@@H]1CC(OC(=O)[C@H](CO)c2ccccc2)C3	ZINC000000000056	O=C(Cc1ccccc1)OC2CC3CCC(C2)N3
COC(=O)C2(C(=O)N1C[C@H](O)[C@@H](O)C1)CC2	ZINC000600216717	O=C(C1CC1)N2CCCC2
COc2cc(OC)nc(c1ccc(C(O)=O)cc1)n2	ZINC000000154359	c2ccc(c1ncccn1)cc2
NC(=O)c1ccccc1NS(=O)(=O)Cc2ccccc2	ZINC000000030331	O=S(=O)(Cc1ccccc1)Nc2ccccc2
CCOC(=O)c2nnn3c1ccccc1c(=O)n(C)c23	ZINC000000159234	O=c2[nH]c1cnnn1c3ccccc23
COc2cc(OC)nc([C@@H]1CCCC[C@@H]1C(O)=O)n2	ZINC000000154357	C2CCC(c1ncccn1)CC2
CC(=O)Oc3ccc(C(=O)NCc2ccc1OCOc1c2)cc3	ZINC000000038537	O=C(NCc2ccc1OCOc1c2)c3ccccc3
COCC(=O)N(C)CC(=O)N[C@@H](C)C(=O)N(C)C	ZINC000332509133	nonring
Cc1[nH]c(=O)[nH]c(=O)c1C=NNC2=NCCN2	ZINC000004964723	O=c2[nH]cc(C=NNC1=NCCN1)c(=O)[nH]2
CCCN(C)S(=O)(=O)N[C@@H](CO)C(=O)NC	ZINC000332467846	nonring
OC[C@H]3O[C@@H](n2cnc1C(=O)N[C@@H](O)C=Cc12)[C@H](O)[C@@H]3O	ZINC000049020063	O=C1NCC=Cc2c1ncn2C3CCCO3
CC(C)[C@H]2CN(C(=O)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1)CCN2	ZINC000643545023	O=C(N1CCNCC1)C(=O)N2CCOCC2
COc2ccc(S(=O)(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)cc2OC	ZINC000000665578	O=S(=O)(Nc1ccccc1)c2ccccc2
CN([C@@H]1CCNC1)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O	ZINC000071310487	O=c2[nH]cc(S(=O)(=O)NC1CCNC1)c(=O)[nH]2
CN2C(N)=CCN([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2=O	ZINC000112985451	O=C1NC=CCN1C2CCCO2
CN2CCN(C(=O)C(=O)N1CCN(C)CC1)CC2	ZINC000002312436	O=C(N1CCNCC1)C(=O)N2CCNCC2
O=C(NC[C@@H]1COCCO1)C(=O)N2CCNCC2	ZINC000038063253	O=C(NCC1COCCO1)C(=O)N2CCNCC2
CNS(=O)(=O)CCN2CCN(C(=O)C1CC1)C2	ZINC000621302674	O=C(C1CC1)N2CCNC2
CCN(CC)C(=O)[C@@H]2CCC[N@@](Cc1cccnc1)C2	ZINC000000199348	C2CCN(Cc1cccnc1)CC2
COC(=O)c2cnc1cc(C)nn1c2N	ZINC000000167702	c2cnc1ccnn1c2
NS(=O)(=O)c2ccc(OC(=O)CNC(=O)OCc1ccccc1)cc2	ZINC000000712565	O=C(CNC(=O)OCc1ccccc1)Oc2ccccc2
Cn2c(NN)nc3n(C)c(=O)n(Cc1ccc(F)cc1)c(=O)c23	ZINC000000530868	O=c2[nH]c1nc[nH]c1c(=O)n2Cc3ccccc3
CCOC(=O)N1CC(O)=C(C(=O)OCC)C1	ZINC000000401372	C1NCC=C1
CN(c2c(C)n(C)n(c1ccccc1)c2=O)S(C)(=O)=O	ZINC000000050864	O=c1cc[nH]n1c2ccccc2
Cn2c1NC(=O)[C@](O)(C(F)(F)F)c1c(=O)n(C)c2=O	ZINC000002415209	O=C1Cc2c(N1)[nH]c(=O)[nH]c2=O
OC[C@H]2O[C@H](O)[C@@H](N[C@@H]1CCS(=O)(=O)C1)[C@@H](O)[C@@H]2O	ZINC000040177491	O=S2(=O)CCC(NC1CCCOC1)C2
CO[C@@](C)(CO)CNC(=O)Cn1cccnc1=O	ZINC000655207846	O=c1nccc[nH]1
CNC(=O)CCCN(C)C(=O)CS(=O)(=O)N(C)C	ZINC000332494326	nonring
Cc2oc(C(C)(C)C)c(CN1CCOCC1)c2C(O)=O	ZINC000000033624	C2CN(Cc1ccoc1)CCO2
COc2cc(CNc1nn[nH]n1)ccc2OCC(N)=O	ZINC000000571177	C(Nc1nn[nH]n1)c2ccccc2
CCOC(=O)C[C@@]1(C)NC(=O)NC1=O	ZINC000000409572	O=C1CNC(=O)N1
COC(=O)C[C@H]1N(C(=O)CNS(=O)(=O)N(C)C)CCNC1=O	ZINC000596780768	O=C1CNCCN1
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N2CCCNCC2	ZINC000036870273	O=S2(=O)CCC(NS(=O)(=O)N1CCCNCC1)C2
NNC(=S)Nc2ccc1OCOc1c2	ZINC000000097147	C2Oc1ccccc1O2
C[C@@H]2CN(C(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)CC(=O)N2	ZINC000410520882	O=C2CN(C(=O)C(=O)N1CCOCC1)CCN2
NC(=O)Cn2cnc1n(CCO)ncc1c2=O	ZINC000004940485	O=c1[nH]cnc2[nH]ncc12
CCOc1ccccc1\C=c3\sc2nc(=O)c(C)nn2c3=O	ZINC000000199691	O=c3cnn2c(=O)c(=Cc1ccccc1)sc2n3
OCCN4CCN(Cc2c(O)ccc3c(=O)c(=C/c1cccc(N(=O)=O)c1)/oc23)CC4	ZINC000002237686	O=c3c(=Cc1ccccc1)oc4c(CN2CCNCC2)cccc34
CCn3c(COc2ccc1OCOc1c2)nnc3SCC(N)=O	ZINC000000107874	C3Oc2ccc(OCc1nnc[nH]1)cc2O3
CC[C@H](C)N2[C@@H]1NC(=O)N[C@@H]1N(C)C2=O	ZINC000000107870	O=C2NC1NC(=O)NC1N2
NC(=O)C1(C(N)=O)O[C@@H]1c2ccccc2	ZINC000000492321	C1OC1c2ccccc2
C[C@@H]2CN(C(=O)[C@@H]1CC(=O)N1)[C@H](C)CN2CCO	ZINC000616340656	O=C2CC(C(=O)N1CCNCC1)N2
CCn2c(=S)[nH]c(=O)\c(=C/c1ccc(OC)c(O)c1)c2=O	ZINC000000440998	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccc2
O=C(CNS(=O)(=O)c1cccs1)NCc2ccccc2	ZINC000000213678	O=C(CNS(=O)(=O)c1cccs1)NCc2ccccc2
OC[C@@H]2O[C@@H](n1cnccc1=O)[C@@H](O)[C@@H]2O	ZINC000005030590	O=c1ccncn1C2CCCO2
CCn2c(=O)[nH]c1cc(C(=O)OC)ccc1c2=O	ZINC000000109619	O=c2[nH]c(=O)c1ccccc1[nH]2
COCCN1CCC[C@@H]1CNC(=O)C(=O)NC2CNC2	ZINC000642758443	O=C(NCC1CCCN1)C(=O)NC2CNC2
CC(=O)NC(=O)N[C@@H]1CSC[C@@H]1OC(C)=O	ZINC000000286861	C1CCSC1
C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)C[C@@H]1N2CCOCC2	ZINC000370218409	C2CC(N1CCOCC1)CN2
NC(=O)[C@H]1COCCN1CC#CCN2CCOC[C@H]2C(N)=O	ZINC000351407169	C2CN(CC#CCN1CCOCC1)CCO2
O=C(N[C@H]1CCNC1)C(=O)N3CCN(S(=O)(=O)N2CCOCC2)CC3	ZINC000580215607	O=C(NC1CCNC1)C(=O)N3CCN(S(=O)(=O)N2CCOCC2)CC3
Nc1nc(N)nc(N(=O)(CC=C)CC=C)n1	ZINC000000001876	c1ncncn1
CCOc2cc(\C=N\n1nnnc1N)ccc2O	ZINC000000028011	C(=Nn1cnnn1)c2ccccc2
CC(=O)Oc1ccccc1C(=O)Nc2ccc(C(N)=O)cc2	ZINC000000030338	O=C(Nc1ccccc1)c2ccccc2
O=C1NCCN1C(=O)c2cccc(N(=O)=O)c2	ZINC000000104196	O=C1NCCN1C(=O)c2ccccc2
Cn2c(=O)n(C)c1[nH]c(SC(C(N)=O)C(N)=O)nc1c2=O	ZINC000016363700	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
OC(=O)Cn1nnnc1c2ccnc3ccccc23	ZINC000000016619	c3ccc2c(c1nnn[nH]1)ccnc2c3
CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1	ZINC000646893639	C1CCNC1
CCCCn2c(N)c(N(C)CC(=O)N1CCNC(=O)C1)c(=O)[nH]c2=O	ZINC000011237183	O=C2CN(C(=O)CNc1c[nH]c(=O)[nH]c1=O)CCN2
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N3CCN([C@@H]2CCNC2)CC3	ZINC000648138180	O=C(C1CCCN1)N3CCN(C2CCNC2)CC3
NC(=O)[C@@H]1ON=C(C(N)=O)[C@@H]1[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O	ZINC000005495944	C2COC(C1CON=C1)C2
CS(=O)(=O)N3CCC(C(=O)NCc2ccc1OCOc1c2)CC3	ZINC000000261879	O=C(NCc2ccc1OCOc1c2)C3CCNCC3
CO[C@@](C)(CO)CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O	ZINC000655220219	C1CCNC1
CCCn2c(=O)c(C(N)=O)cn(C1CC1)c2=O	ZINC000000171223	O=c2ccn(C1CC1)c(=O)[nH]2
NC(=O)c1cncn1[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O	ZINC000005545217	C2CCC(n1ccnc1)OC2
Oc2cccc(Nc1c(Cl)c(=O)[nH]c1=O)c2	ZINC000000113795	O=c2cc(Nc1ccccc1)c(=O)[nH]2
CCOC(=O)[C@@H]2CN(Cc1ccccc1)C(=O)C2=O	ZINC000000004960	O=C2CCN(Cc1ccccc1)C2=O
OCCS(=O)(=O)c1ccc(C(F)(F)F)cn1	ZINC000000093277	c1ccncc1
CCN1[C@@H]2[C@@H](N(CC)C1=O)N(C(C)=O)C(=O)N2C(C)=O	ZINC000000134165	O=C2NC1NC(=O)NC1N2
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]2CC[N@@](C)[C@@H]2C	ZINC000617868354	O=C(NC1CCS(=O)(=O)C1)C2CCNC2
OC[C@@H]1COCCOCCOCCO1	ZINC000000389872	C1COCCOCCOCCO1
CC2(C)CC1(CC(C)(C)NC(=O)N1)NC(=O)N2	ZINC000000134161	O=C2NCCC1(CCNC(=O)N1)N2
O=C1CCCN1c3ccc(S(=O)(=O)NCCc2ccccc2)cc3	ZINC000000116804	O=C1CCCN1c3ccc(S(=O)(=O)NCCc2ccccc2)cc3
CN1C2C(N(C)C1=O)N(C)C(=O)N2C	ZINC000000134163	O=C2NC1NC(=O)NC1N2
CN(CC(=O)N1CCNCC1)C(=O)[C@@H]2CCCO2	ZINC000036285833	O=C(CNC(=O)C1CCCO1)N2CCNCC2
NC(=O)C([C@H]1CS(=O)(=O)C=C1)([C@@H]2CS(=O)(=O)C=C2)C(N)=O	ZINC000016137483	O=S2(=O)CC(CC1CS(=O)(=O)C=C1)C=C2
CCC[C@@H](O)[C@@H](CO)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C	ZINC000616311113	c1cc[nH]c1
CCOC(=O)C(=NNc1cc(C(N)=O)ccc1OC)C#N	ZINC000000431814	c1ccccc1
S=C(SN1CCOCC1)N2CCOCC2	ZINC000000027634	S=C(SN1CCOCC1)N2CCOCC2
CC(=O)N[C@@H]3CCN(C(=O)[C@@H]1CCN=c2c1n[nH]n2C)C3	ZINC000616373573	O=C(C1CCN=c2[nH][nH]nc12)N3CCCC3
CC1=C(S(N)(=O)=O)CS(=O)(=O)C1	ZINC000001082398	O=S1(=O)CC=CC1
CCN3C(=O)C[C@H](N2CCC(Cc1ccccc1)CC2)C3=O	ZINC000000053073	O=C3CC(N2CCC(Cc1ccccc1)CC2)C(=O)N3
CNS(=O)(=O)CC(=O)NC(C)(C)C(=O)OC	ZINC000332451513	nonring
CNS(=O)(=O)NCC(=O)N(C)[C@@H](CO)CC(C)C	ZINC000332462792	nonring
NC(=N)c2ncn([C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O)n2	ZINC000001537260	C2COC(n1cncn1)C2
CC(=O)N1CCc2cc(S(N)(=O)=O)ccc12	ZINC000000312800	C2Cc1ccccc1N2
CN(C[C@@H]3CN(C(=O)[C@@H]1CCN=c2c1n[nH]n2C)CCO3)CC(N)=O	ZINC000646962227	O=C(C1CCN=c2[nH][nH]nc12)N3CCOCC3
CCNC(=O)CN2CCN(C(=O)C(=O)N1C[C@H](C)NC(=O)C1)CC2	ZINC000459948401	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
CC[C@@H](CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@@H](CC)CO	ZINC000003466558	nonring
Nc2cc(N)cc(C(=O)N1CCOCC1)c2	ZINC000000247965	O=C(N1CCOCC1)c2ccccc2
O=CN2CCN(C(=O)c1cccc(N(=O)=O)c1)CC2	ZINC000000260836	O=C(N1CCNCC1)c2ccccc2
O=C(CS(=O)(=O)CC(=O)N1CCOCCN1)N2CCOCCN2	ZINC000615482380	O=C(CS(=O)(=O)CC(=O)N1CCOCCN1)N2CCOCCN2
O=C(NC(=S)Nc1nc[nH]n1)c2ccccc2	ZINC000000144116	O=C(NC(=S)Nc1nc[nH]n1)c2ccccc2
CS(=O)(=O)N1CCCC[C@@H]1CNc2nc(N)nc(N)n2	ZINC000624216346	C2CCC(CNc1ncncn1)NC2
Cc2nn(c1ccccc1)c3sc(C(=O)NCC(O)=O)cc23	ZINC000000041823	c3ccc(n1ncc2ccsc12)cc3
Cn2c(c1ccccc1)cn4c2nc3n(C)c(=O)[nH]c(=O)c34	ZINC000000041829	O=c4[nH]c(=O)c3c(nc2[nH]c(c1ccccc1)cn23)[nH]4
O=c2[nH]nc(N1CCNCC1)c(=O)[nH]2	ZINC000003276912	O=c2[nH]nc(N1CCNCC1)c(=O)[nH]2
OCCNC(=O)CNC(=O)CCN2CCN(C(=O)[C@@H]1CCCO1)CC2	ZINC000448262524	O=C(C1CCCO1)N2CCNCC2
NCC(=O)Nc1ccc(Cl)cc1C(=O)c2ccc[nH]2	ZINC000000021557	O=C(c1ccccc1)c2ccc[nH]2
COCCN2CC[C@@H](NC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1)C2	ZINC000557756009	O=C(NC1CCNC1)C(=O)N2CCOCC2
CCS(=O)(=O)NCC(=O)NCCC(=O)N(C)C	ZINC000332509830	nonring
CN(C)S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H]1OCCN[C@@H]1C2	ZINC000583934871	C2COC1CCNCC1N2
NC(=O)Cc1ccc(CC(N)=O)[nH]1	ZINC000000408934	c1cc[nH]c1
CCN(CC)c2nc1n(C)c(=O)[nH]c(=O)c1n2C	ZINC000000040482	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CCOC(=O)C1=C(NC(C)C)C(=O)N(C)C1	ZINC000000040487	O=C1NCC=C1
NS(=O)(=O)CCOCCNc1ccnc(C#N)n1	ZINC000577747077	c1cncnc1
CNCCNC(=O)C(=O)N1CCO[C@H](CNC(=O)NC)C1	ZINC000627405263	C1COCCN1
Cn2c(=O)ccn(CC(=O)NCCCN1CCNC(=O)C1)c2=O	ZINC000338131711	O=C2CN(CCCNC(=O)Cn1ccc(=O)[nH]c1=O)CCN2
O=C2CN(C(=O)COCC(=O)N1CCNC(=O)C1)CCN2	ZINC000591797420	O=C2CN(C(=O)COCC(=O)N1CCNC(=O)C1)CCN2
COC(=O)CN2CCC(NC1CN(S(=O)(=O)N(C)C)C1)CC2	ZINC000600216509	C2CC(NC1CNC1)CCN2
Cn2c(SCC(=O)c1ccccc1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000000180659	O=C(CSc2nc1[nH]c(=O)[nH]c(=O)c1[nH]2)c3ccccc3
CCN(C)S(=O)(=O)NCCN(C)S(=O)(=O)N(C)CC	ZINC000332458320	nonring
CCOC(=O)N2CCC(NC(=O)Cn1cnc(N(=O)=O)n1)CC2	ZINC000000425997	O=C(Cn1cncn1)NC2CCNCC2
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N2CCOCC2	ZINC000000614823	O=C(CNS(=O)(=O)c1ccccc1)N2CCOCC2
NC(=N)c2ccc(C(=O)NCCc1ccc(OCC(O)=O)cc1)cc2	ZINC000000012616	O=C(NCCc1ccccc1)c2ccccc2
Cn1cnnc1S(=O)(=O)Cc2ccccc2N(=O)=O	ZINC000000162557	O=S(=O)(Cc1ccccc1)c2nnc[nH]2
COCCNC(=O)c1nonc1N	ZINC000002491620	c1cnon1
NS(=O)(=O)N2CCN(C(=O)C1(CO)COC1)CC2	ZINC000329086697	O=C(C1COC1)N2CCNCC2
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N2CCOCC2)c3cc(=O)[nH]cn3	ZINC000624992540	O=C(NC1CS(=O)(=O)CC1N2CCOCC2)c3cc(=O)[nH]cn3
CC(C)(C)C(=O)NCCNS(N)(=O)=O	ZINC000332458587	nonring
CN1CCC[C@H]1c3ccc[n+]([C@H]2O[C@@H](C(O)=O)[C@@H](O)[C@@H](O)[C@H]2O)c3	ZINC000003869570	C3CCC([n+]2cccc(C1CCCN1)c2)OC3
CNS(=O)(=O)N1CCN(S(=O)(=O)NC)CC1	ZINC000005320006	C1CNCCN1
O=C3CC[C@@H]2NC(=O)[C@@H](Cc1ccccc1)N23	ZINC000000010968	O=C3CCC2NC(=O)C(Cc1ccccc1)N23
NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NC(N)=O	ZINC000003160850	O=S1(=O)CCCC1
O=C(CC(=O)N1CCCC1)N2CCCC2	ZINC000000137639	O=C(CC(=O)N1CCCC1)N2CCCC2
CCOC(=O)N1CCOCCOCCOCC1	ZINC000000242360	C1COCCOCCOCCN1
Cc2ccc(NC(=O)c1c[nH]c(=O)[nH]c1=O)cc2	ZINC000000051812	O=C(Nc1ccccc1)c2c[nH]c(=O)[nH]c2=O
Cc1cc(C)n(N)c(=O)c1C(N)=O	ZINC000000038494	O=c1cccc[nH]1
COc2cc(CSC1=NCCN1)cc(OC)c2OC	ZINC000000137632	C2CN=C(SCc1ccccc1)N2
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)c2ccccc2	ZINC000000052134	O=C(COC(=O)C1CCCN1)c2ccccc2
O=c2c(N1CCOCC1)nsnc2N3CCOCC3	ZINC000000446058	O=c2c(N1CCOCC1)nsnc2N3CCOCC3
CN2C[C@@H](NC(=O)[C@@H]1C[N@@](C)CCO1)C(=O)N2	ZINC000562183206	O=C1NNCC1NC(=O)C2CNCCO2
CCCCNC[C@@H](O)[C@H](O)COS(C)(=O)=O	ZINC000001639729	nonring
O=C(CNC1CC1)N3CCN(C(=O)C(=O)NC2CC2)CC3	ZINC000238157613	O=C(CNC1CC1)N3CCN(C(=O)C(=O)NC2CC2)CC3
CC(=O)c2nnn(c1nonc1C)c2C	ZINC000000035179	c2cn(c1cnon1)nn2
NC(=O)CN(C1CCNCC1)C(=O)c2c[nH]c(=O)[nH]2	ZINC000037542295	O=C(NC1CCNCC1)c2c[nH]c(=O)[nH]2
Cn2c(c1ccccc1)nnc2S(C)(=O)=O	ZINC000000024658	c2ccc(c1nnc[nH]1)cc2
CCn1c(=O)c(C(=O)CC#N)c(N)n(C)c1=O	ZINC000000340945	O=c1cc[nH]c(=O)[nH]1
CN(c1cccc(C)c1)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O	ZINC000000423293	O=c2[nH]cc(S(=O)(=O)Nc1ccccc1)c(=O)[nH]2
CCN(C)c2ccc(\C=N\n1nnnc1N)cc2	ZINC000000259850	C(=Nn1cnnn1)c2ccccc2
O=C(NCNC(=O)n1c(=O)ccc1=O)n2c(=O)ccc2=O	ZINC000001868517	O=C(NCNC(=O)n1c(=O)ccc1=O)n2c(=O)ccc2=O
C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC1=O	ZINC000008076666	O=C1CNC(=O)CN1
COc1ccc(N(=O)=O)c(OC)c1C(N)=O	ZINC000000093032	c1ccccc1
OCCn2c(=O)c1ccccc1c2=O	ZINC000000119454	O=c1[nH]c(=O)c2ccccc12
CC(=O)Nc1c[nH]c(=O)[nH]c1=O	ZINC000000320186	O=c1cc[nH]c(=O)[nH]1
CNC(=O)CNC(=O)NC[C@@H]1COCCN1C	ZINC000624743242	C1COCCN1
COc1cc(C(=O)N[C@H](C)C(O)=O)cc(OC)c1OC	ZINC000000078391	c1ccccc1
COC(=O)C(NC(=O)CN)C(=O)OC	ZINC000095951516	nonring
C3CN(c2nnn(CC1CC1)n2)CCO3	ZINC000000090438	C3CN(c2nnn(CC1CC1)n2)CCO3
Cn2cc(N(=O)=O)c(S(=O)(=O)NCC(=O)N1CCNCC1)n2	ZINC000599098454	O=C(CNS(=O)(=O)c1cc[nH]n1)N2CCNCC2
CCOC(=O)c2cc(C(=O)NCc1ccccc1)c(=O)[nH]c2C	ZINC000000050070	O=C(NCc1ccccc1)c2ccc[nH]c2=O
CN(C)S(=O)(=O)NCC(=O)N[C@H]1CN(C(C)(C)C)C(=O)C1	ZINC000646890913	O=C1CCCN1
C[C@@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc12	ZINC000022047768	O=c1[nH]cnc2[nH]cnc12
CCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)CNC(=O)c2ccccc2	ZINC000000033435	O=C(CNC(=O)c1ccccc1)OCc2c[nH]c(=O)[nH]2
CCOc2ccc(NN1C(N)C(=O)NC1=O)cc2	ZINC000000033922	O=C2CN(Nc1ccccc1)C(=O)N2
Oc2c(Cl)cc(\C=c1\[nH]c(=O)[nH]c1=O)cc2Cl	ZINC000000033927	O=c2[nH]c(=O)c(=Cc1ccccc1)[nH]2
NC(=O)NC(=O)CCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1	ZINC000597362723	C1CCNCC1
OC(=O)c2ccc(NNC(=S)NCCN1CCOCC1)cc2	ZINC000003265230	S=C(NCCN1CCOCC1)NNc2ccccc2
NS(=O)(=O)c2ccc(n1c(=O)ccc1=O)cc2	ZINC000000069764	O=c1ccc(=O)n1c2ccccc2
CNS(=O)(=O)CCCN2CCN1[C@H](CNC(=O)C1=O)C2	ZINC000407950859	O=C2NCC1CNCCN1C2=O
NC(=N)NN=c1c(=O)[nH]c(=O)[nH]c1=O	ZINC000001694246	N=c1c(=O)[nH]c(=O)[nH]c1=O
Nc2nc(=O)c1nsnc1n2CCO	ZINC000003164173	O=c1nc[nH]c2nsnc12
COc3ccc(N2C(=O)C[C@H](NCc1ccco1)C2=O)cc3	ZINC000000050380	O=C2CC(NCc1ccco1)C(=O)N2c3ccccc3
CNS(=O)(=O)CCNC(=O)N(C)CC(C)(C)O	ZINC000332474134	nonring
CCCn2c(CCC(O)=O)nc3cc(S(=O)(=O)N1CCOCC1)ccc23	ZINC000006482074	O=S(=O)(N1CCOCC1)c3ccc2[nH]cnc2c3
NC(=N)NN=Cc1ccnc(C(N)=N)n1	ZINC000013861136	c1cncnc1
CN2C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)NC2=O	ZINC000615215616	O=C2NCC(C(=O)NCCCNC(=O)C1CNC(=O)N1)N2
CC(C)(CO)N2[C@H]1NC(=O)N[C@H]1NC2=O	ZINC000000203991	O=C2NC1NC(=O)NC1N2
O=C(CNC(=O)COc1ccccc1)Nc2nncs2	ZINC000000305937	O=C(CNC(=O)COc1ccccc1)Nc2nncs2
CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CN(C)CCO1	ZINC000126424545	C1COCCN1
CN(CCO)S(=O)(=O)c3ccc2c(Cc1cc(S(=O)(=O)N(C)CCO)ccc12)c3	ZINC000000644063	C2c1ccccc1c3ccccc23
Nc3nc2n([C@H]1S[C@@H](CO)[C@@H](O)[C@@H]1O)cnc2c(=O)[nH]3	ZINC000003842708	O=c2[nH]cnc3n(C1CCCS1)cnc23
C[C@@H]2CN(C(=O)Cn1c(=O)n(CC=C)c(=O)c1=O)C[C@@H](C(N)=O)O2	ZINC000268521001	O=C(Cn1c(=O)[nH]c(=O)c1=O)N2CCOCC2
COC(=O)C(O)(NC(=O)c1ccccc1)C(=O)OC	ZINC000000501136	c1ccccc1
CS(=O)(=O)N2CCN(CCNC(=O)NC1CCN(CC#N)CC1)CC2	ZINC000609335594	O=C(NCCN1CCNCC1)NC2CCNCC2
O=c2c(=C/c1ccccc1)/sc3nncn23	ZINC000000112368	O=c2c(=Cc1ccccc1)sc3nncn23
CC(=O)N[C@@H](CO)[C@@H](O)c1ccc(N(=O)=O)cc1	ZINC000000174040	c1ccccc1
COCCNS(=O)(=O)c2ccc(C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)cc2	ZINC000564738106	O=C(NC1CCS(=O)(=O)C1)c2ccccc2
CCS(=O)(=O)N2CCN(C(=O)c1ccncc1)CC2	ZINC000000454765	O=C(N1CCNCC1)c2ccncc2
CC(C)(N3CCN(C(=O)[C@]12CNC[C@H]1COC2)CC3)C(N)=O	ZINC000653122101	O=C(N1CCNCC1)C23CNCC2COC3
CCN(CC(N)=O)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1	ZINC000646964623	C1CCNCC1
COc1ccccc1[C@@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C	ZINC000000044541	O=C2NC=CC(c1ccccc1)N2
O=C(CCc1ccccc1)Nc2c[nH]c(=O)[nH]c2=O	ZINC000000110476	O=C(CCc1ccccc1)Nc2c[nH]c(=O)[nH]c2=O
C[C@@]2(NC(=O)N[C@@H]1CCS(=O)(=O)C1)CCS(=O)(=O)C2	ZINC000001232722	O=C(NC1CCS(=O)(=O)C1)NC2CCS(=O)(=O)C2
CCOCCN2CCN(C(=O)C(=O)NCC(=O)N1CCNCC1)CC2	ZINC000642899812	O=C(CNC(=O)C(=O)N1CCNCC1)N2CCNCC2
C[C@@H](C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NC(N)=N	ZINC000040836552	C1CCOC1
CO[C@H]1CNC[C@@H]1Nc2n[nH]c(=O)[nH]c2=O	ZINC000036867613	O=c2[nH]nc(NC1CCNC1)c(=O)[nH]2
CON3C(=O)[C@H]2[C@H]1O[C@H](C=C1)[C@@H]2C3=O	ZINC000000404853	O=C3NC(=O)C2C1OC(C=C1)C23
COC(=O)c2sc(NC(=O)COc1ccc(Cl)cc1)nc2C	ZINC000000070933	O=C(COc1ccccc1)Nc2nccs2
CN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c2ccc(F)cc2	ZINC000000686865	O=C(CNS(=O)(=O)c1ccccc1)N2CCCCC2
CN(N)C1=NS(=O)(=O)c2ccccc12	ZINC000000039695	O=S2(=O)N=Cc1ccccc12
Nc1ncnc2n(C[C@@H](O)CO)c(Br)nc12	ZINC000000039699	c2ncc1nc[nH]c1n2
O[C@H]1NCCN1CCNS(=O)(=O)[C@@H]2CCS(=O)(=O)C2	ZINC000217370557	O=S2(=O)CCC(S(=O)(=O)NCCN1CCNC1)C2
O=C(CCn2c(=O)c1ccccc1c2=O)Nc3nc[nH]n3	ZINC000000055723	O=C(CCn2c(=O)c1ccccc1c2=O)Nc3nc[nH]n3
CNS(=O)(=O)CCCN1CCN(S(N)(=O)=O)CC1	ZINC000407949232	C1CNCCN1
OCCN2CCN(C(=O)[C@H]1CNCCO1)CC2	ZINC000043708030	O=C(C1CNCCO1)N2CCNCC2
NC(=O)[C@@H]1COCCN1C(=O)CN2CCCNC2=O	ZINC000556998704	O=C(CN1CCCNC1=O)N2CCOCC2
CSCc3nnc(NC(=O)c2ccc(S(=O)(=O)N1CCCC1)cc2)o3	ZINC000002457008	O=C(Nc1nnco1)c3ccc(S(=O)(=O)N2CCCC2)cc3
CN(C)C[C@H](CO)NC(=O)CNS(=O)(=O)c1cn(C)cn1	ZINC000647710904	c1c[nH]cn1
COc3ccc(CCNc2nc1c(=O)[nH]c(=O)n(C)c1[nH]2)cc3OC	ZINC000000407682	O=c3[nH]c(=O)c2nc(NCCc1ccccc1)[nH]c2[nH]3
OC(=O)\C=C\C(=O)Nn2c(=O)c1ccccc1c2=O	ZINC000000116534	O=c1[nH]c(=O)c2ccccc12
O=C3CN(CC(=O)N2CCN(C(=O)CN1CCNC(=O)C1)CC2)CCN3	ZINC000016585798	O=C3CN(CC(=O)N2CCN(C(=O)CN1CCNC(=O)C1)CC2)CCN3
Nn3c(C(=O)NC[C@@H]1CCCO1)nc2ccccc2c3=O	ZINC000000159214	O=C(NCC1CCCO1)c3nc2ccccc2c(=O)[nH]3
COC(=O)COc1ccc(S(N)(=O)=O)cc1	ZINC000000479284	c1ccccc1
CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CN(C)C(=O)C1	ZINC000340471022	O=C1CCCN1
COc2ccc(CCNC(=S)NN1CCOCC1)cc2OC	ZINC000000610465	S=C(NCCc1ccccc1)NN2CCOCC2
CN(C)S(=O)(=O)N2CC(NC(=O)N1CCS(=O)(=O)CC1)C2	ZINC000625624927	O=C(NC1CNC1)N2CCS(=O)(=O)CC2
C[C@@H](CS(C)(=O)=O)N(C)C[C@@H]1CNCCO1	ZINC000662253624	C1COCCN1
COC(=O)[C@@H]2CN(Cc1ccccc1)CCC2=O	ZINC000000056561	O=C2CCN(Cc1ccccc1)CC2
COc3ccc(CSCC(=O)NC1C[C@@H]2CC[C@H](C1)[N@]2C)cc3	ZINC000000136072	O=C(CSCc1ccccc1)NC2CC3CCC(C2)N3
NC(=O)C3CCN(C(=O)CCn2c(=O)[nH]c1ccccc1c2=O)CC3	ZINC000000424168	O=C(CCn2c(=O)[nH]c1ccccc1c2=O)N3CCCCC3
NC(=O)NC(=O)CCNS(=O)(=O)CCCF	ZINC000332494346	nonring
CNc2c(/N=C/c1ccncc1)c(=O)n(C)c(=O)n2C	ZINC000000339406	O=c2[nH]cc(N=Cc1ccncc1)c(=O)[nH]2
CCOC(=O)Cn1c(Cl)cc(=O)n(C)c1=O	ZINC000000190238	O=c1cc[nH]c(=O)[nH]1
CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCC(F)(F)CN)C1	ZINC000563302583	C1CCNC1
COc2ccc(S(=O)(=O)N[C@@H]1CCSC1=O)cc2	ZINC000000064647	O=C1SCCC1NS(=O)(=O)c2ccccc2
CCOC(=O)Cn1cc(F)c(=O)[nH]c1=O	ZINC000000190235	O=c1cc[nH]c(=O)[nH]1
Cn2c(=O)n(C)c1ncn(C(C(N)=O)C(N)=O)c1c2=O	ZINC000013207543	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
NS(=O)(=O)N2CCN(C(=O)CN1CCS(=O)(=O)CC1)CC2	ZINC000347278960	O=C(CN1CCS(=O)(=O)CC1)N2CCNCC2
O=N(=O)c2ccc(S(=O)(=O)N1CCOCC1)cc2	ZINC000000102571	O=S(=O)(N1CCOCC1)c2ccccc2
CC1(C)C[C@@H](S(=O)(=O)N(CC(N)=O)CC(N)=O)CO1	ZINC000624965898	C1CCOC1
CN2CCN(C(=O)CN1CCO[C@@H](C(N)=O)C1)CC2	ZINC000120893645	O=C(CN1CCOCC1)N2CCNCC2
C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCN	ZINC000049503913	C1COCCN1
Cc2noc(COc1ccccc1OCC(N)=O)n2	ZINC000000031992	C(Oc1ccccc1)c2ncno2
NC(=S)CNC(=O)C(=O)N[C@H]1CCC(=O)NC1	ZINC000104235099	O=C1CCCCN1
O=c3c1ccccc1c4nn2nnnc2nc34	ZINC000000074890	O=c3c1ccccc1c4nn2nnnc2nc34
Cn3c(=O)n(C)c2[nH]c(=O)n(Cc1cccc(Cl)c1)c2c3=O	ZINC000000331426	O=c3[nH]c(=O)c2n(Cc1ccccc1)c(=O)[nH]c2[nH]3
O=C(CNS(=O)(=O)c1cccs1)N2CCCC2	ZINC000000213651	O=C(CNS(=O)(=O)c1cccs1)N2CCCC2
CCOc1ccc(CN(CCO)CCO)cc1C(=O)OC	ZINC000000213657	c1ccccc1
OC[C@@H]4O[C@H](n1ccc2c1ncn3ncnc23)[C@@H](O)[C@@H]4O	ZINC000001568805	C4COC(n1ccc2c1ncn3ncnc23)C4
CN(C)C(=O)C(C)(C)NCC(=O)NCCCN(C)S(C)(=O)=O	ZINC000533386382	nonring
CC(C)N2C(=O)C[C@@H](NC(=O)C1(O)CNC1)C2=O	ZINC000662651134	O=C2CC(NC(=O)C1CNC1)C(=O)N2
Cc1ccc(C(O)=O)cc1c3ccc(\C=c2\[nH]c(=O)[nH]c2=O)o3	ZINC000000072898	O=c3[nH]c(=O)c(=Cc2ccc(c1ccccc1)o2)[nH]3
CCO[C@@H]2CCCN(C(=O)C(=O)N(C)[C@H]1CNC[C@@H]1O)C2	ZINC000643592207	O=C(NC1CCNC1)C(=O)N2CCCCC2
CO/N=C(\C(O)=O)c2csc(NC(=O)\C=C\c1ccccn1)c2	ZINC000000097162	O=C(Nc1cccs1)C=Cc2ccccn2
NC(=O)CN2CCN(C[C@@]1(O)CCCOC1)CC2=O	ZINC000660776847	O=C2CN(CC1CCCOC1)CCN2
Cn3c(=O)n(C)c2n(C)c(=O)cc(N1CCCCC1)c2c3=O	ZINC000000087426	O=c3cc(N1CCCCC1)c2c(=O)[nH]c(=O)[nH]c2[nH]3
COC(=O)C3[C@@H](c1ccccc1)n2nnnc2N=C3C	ZINC000000065660	C2C=Nc1nnnn1C2c3ccccc3
Cc1nnsc1C(=O)N[C@@H]2CCCCNC2=O	ZINC000000153533	O=C1NCCCCC1NC(=O)c2cnns2
Cc1cn(CC(=O)N(CC(N)=O)CC(N)=O)nc1C(F)(F)F	ZINC000625148692	c1cn[nH]c1
NC(=O)COc1cc(=O)oc2ccc(N(=O)=O)cc12	ZINC000000185103	O=c2ccc1ccccc1o2
COc2nc(C#N)nc(N1CCCC1)n2	ZINC000000109493	C2CCN(c1ncncn1)C2
CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1	ZINC000004748292	c1ccccc1
NC(=O)N[C@@H]1CSC[C@@H]1O	ZINC000000236568	C1CCSC1
O[C@@H]1CCC(=O)N1CCc2cnc[nH]2	ZINC000000134538	O=C1CCCN1CCc2cnc[nH]2
CC[C@@H]1C[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)CC(=O)N1	ZINC000583941372	O=C1CCCCN1
Cn2c(=O)[nH]c(=O)c3n(C[C@@H](O)COc1ccccc1)c(NN)nc23	ZINC000000434619	O=c3[nH]c(=O)c2n(CCCOc1ccccc1)cnc2[nH]3
CC(C)n2cc(C(=O)N1CCN(CC(N)=O)C(=O)C1)nn2	ZINC000622691282	O=C2CN(C(=O)c1c[nH]nn1)CCN2
COc1nc(NC(C)=O)cc(=O)n1C	ZINC000000367519	O=c1ccnc[nH]1
CS(=O)(=O)OCC[C@@H](O)COS(C)(=O)=O	ZINC000001631265	nonring
O=C(Cc1cccs1)Nc2c[nH]c(=O)[nH]c2=O	ZINC000000062952	O=C(Cc1cccs1)Nc2c[nH]c(=O)[nH]c2=O
NC(=O)CN(CC(N)=O)C(=O)[C@H]2CN(CCN1CCOCC1)C(=O)C2	ZINC000377653291	O=C1CCCN1CCN2CCOCC2
CCOC(=O)Cc1csc2=NS(=O)(=O)CCn12	ZINC000000125798	O=S2(=O)CCn1ccsc1=N2
COc3ccc(CNC(=O)Cn2nnc(c1ccncc1)n2)cc3	ZINC000000415041	O=C(Cn2nnc(c1ccncc1)n2)NCc3ccccc3
Cn1c(=O)n(C)c(=O)n(C[S@](=O)CC(N)=O)c1=O	ZINC000084724414	O=c1[nH]c(=O)[nH]c(=O)[nH]1
CCOC(=O)Cn1c(=O)c(C#N)cn(C(C)C)c1=O	ZINC000000169673	O=c1cc[nH]c(=O)[nH]1
CS(=O)(=O)CC2(CC(=O)N1CCN(CC(N)=O)C(=O)C1)CC2	ZINC000622691465	O=C2CN(C(=O)CC1CC1)CCN2
CNC[C@@H](O)CN1CCCS1(=O)=O	ZINC000036809236	O=S1(=O)CCCN1
CCS(=O)(=O)NCC(=O)N(C)CCC(=O)NC	ZINC000332472132	nonring
OC[C@@H]3O[C@@H](Oc1c[nH]c2ccc(Br)cc12)[C@@H](O)[C@@H](O)[C@H]3O	ZINC000000642930	C3CCC(Oc1c[nH]c2ccccc12)OC3
Cn3c2NCN(C1CCCC1)Cc2c(=O)n(C)c3=O	ZINC000000544463	O=c3[nH]c2NCN(C1CCCC1)Cc2c(=O)[nH]3
Cn3c(=S)[nH]c(=O)\c(=C/c1cn(CC(O)=O)c2ccccc12)c3=O	ZINC000000200153	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2c[nH]c3ccccc23
CC(=O)N[C@@H](CSc1ccc(N(=O)=O)cc1N(=O)=O)C(O)=O	ZINC000001532310	c1ccccc1
O=C(NC[C@@H]1CCCO1)c2n[nH]c(=O)c3ccccc23	ZINC000000211474	O=C(NCC1CCCO1)c2n[nH]c(=O)c3ccccc23
COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)N(C)CCC#N	ZINC000332476802	nonring
CN(C)C2CCC(NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2	ZINC000616381586	O=C(NC1CCCCC1)C2=CCCCC2
ON1CC[C@]3(O)[C@@H]1CCc2nonc23	ZINC000000497841	C3CC1C(CCc2nonc12)N3
COCCN(CCOC)S(=O)(=O)N1CCC(NS(N)(=O)=O)CC1	ZINC000625586335	C1CCNCC1
O=c2c(=C/c1ccco1)/sc3ncnn23	ZINC000000208316	O=c2c(=Cc1ccco1)sc3ncnn23
CC2(C)O[C@H]1[C@H](CO)OC(=O)[C@H]1O2	ZINC000000389813	O=C2OCC1OCOC12
CN(C)[C@H]2CN(C(=O)CN1CC(=O)NC1=O)C[C@@H]2O	ZINC000556972869	O=C2CN(CC(=O)N1CCCC1)C(=O)N2
OCCN(CCO)c2ncnc3sc1CCCCc1c23	ZINC000000078273	C1CCc2c(C1)sc3ncncc23
COc2cc(C(O)=O)c(n1cnnn1)cc2OC	ZINC000000111607	c2ccc(n1cnnn1)cc2
C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC#C)C(O)=O	ZINC000002560994	nonring
CS(=O)(=O)N2CCC[C@@H](C(=O)N1CCOCC1)C2	ZINC000000219521	O=C(C1CCCNC1)N2CCOCC2
O=C(Cn2ccc1ccccc1c2=O)NCC(=O)N3CCOCC3	ZINC000000200566	O=C(Cn2ccc1ccccc1c2=O)NCC(=O)N3CCOCC3
CC[N@]1CCC[C@@H]1CN(C)C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000410535623	O=C2CN(C(=O)C(=O)NCC1CCCN1)CCN2
COC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000332494502	nonring
CCn2cc(C(=O)NCC(=O)OC)c1cc(OC)c(OC)cc1c2=O	ZINC000000200569	O=c1[nH]ccc2ccccc12
COc2cc([C@H]1N(C[C@@H](C)O)C(=O)C(O)=C1C(C)=O)ccc2O	ZINC000000082254	O=C2NC(c1ccccc1)C=C2
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2	ZINC000617868487	O=C(CNC(=O)c1ccccc1)NC2CCS(=O)(=O)C2
NC(=O)CN2C(=O)[C@@](O)(CC(=O)c1ccccc1)c3ccccc23	ZINC000000089288	O=C(CC1C(=O)Nc2ccccc12)c3ccccc3
O=c3[nH]c2ccc(S(=O)(=O)NC1CCCC1)cc2[nH]c3=O	ZINC000000423430	O=c3[nH]c2ccc(S(=O)(=O)NC1CCCC1)cc2[nH]c3=O
Cn2c(=O)n(C)c1[nH]c(CCCCC(O)=O)nc1c2=O	ZINC000001596679	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CN(CC(=O)N1CCNCC1)C(=O)[C@@H]2COCCN2	ZINC000428210727	O=C(CNC(=O)C1COCCN1)N2CCNCC2
NC(=O)c1ccc(N(=O)=O)cc1C(N)=O	ZINC000000056712	c1ccccc1
OCC3=C[C@H](n1cnc2c(=O)[nH]cnc12)[C@@H](O)[C@H]3O	ZINC000005605597	O=c2[nH]cnc3n(C1CCC=C1)cnc23
CO[C@H]2[C@@H](O)[C@@H](n1ccc(=O)[nH]c1=O)O[C@H]2CO	ZINC000004556987	O=c2ccn(C1CCCO1)c(=O)[nH]2
N[C@@H](CCCNC(N)=NN(=O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O	ZINC000026951411	nonring
NS(=O)(=O)c3ccc(NC(=O)[C@@H]2COc1ccccc1O2)cc3	ZINC000000063335	O=C(Nc1ccccc1)C3COc2ccccc2O3
CC(C)NC(=O)CNC(=O)CS(=O)(=O)N(C)C	ZINC000332449169	nonring
C[C@@H](CCN(C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC000646875406	O=C1CCNC(=O)N1
O=N(=O)c1ccccc1S(=O)(=O)NCc2ccco2	ZINC000000040319	O=S(=O)(NCc1ccco1)c2ccccc2
CCCn2nnc(NC(=S)NC(=O)COc1ccc(C)cc1)n2	ZINC000000559485	O=C(COc1ccccc1)NC(=S)Nc2nn[nH]n2
NC(=O)CSc1nnnn1c2ccc(F)cc2F	ZINC000000034905	c2ccc(n1cnnn1)cc2
CC(C)CNS(=O)(=O)c1ccc(C(=O)NC(C(N)=O)C(N)=O)cc1	ZINC000046333239	c1ccccc1
Cc3ccc(NC(=O)CSc1nnc2n(N)cnn12)cc3	ZINC000000034902	O=C(CSc1nnc2[nH]cnn12)Nc3ccccc3
COc2cccc(C(=O)N1CCN(S(C)(=O)=O)CC1)c2OC	ZINC000000115613	O=C(N1CCNCC1)c2ccccc2
CCOC(=O)[C@@H]1OCO[C@H]1C(=O)OCC	ZINC000000254900	C1COCO1
CS(=O)(=O)N2CCN(C(=O)c1ccccc1F)CC2	ZINC000000115618	O=C(N1CCNCC1)c2ccccc2
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c2cccc(OC)c2OC	ZINC000000036855	N2C=CC(c1ccccc1)C=C2
NS(=O)(=O)c2ccc1c(C=CS1(=O)=O)c2	ZINC000000026296	O=S2(=O)C=Cc1ccccc12
CN2C[C@@H](NC(=O)CN1CCOCC1=O)C(=O)N2	ZINC000344563896	O=C(CN1CCOCC1=O)NC2CNNC2=O
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[P@@](C)(O)=O)C(O)=O	ZINC000001530428	nonring
CNS(=O)(=O)NCC(=O)N1CCOC[C@@H]1CC(N)=O	ZINC000574819814	C1COCCN1
CC(=O)Nc1ccccc1C(=O)OCC(=O)c2ccc(N(=O)=O)cc2	ZINC000000062314	O=C(COC(=O)c1ccccc1)c2ccccc2
Cn3c(=O)n(C)c2ccc(S(=O)(=O)N1CCOCC1)cc2c3=O	ZINC000000428835	O=c3[nH]c(=O)c2cc(S(=O)(=O)N1CCOCC1)ccc2[nH]3
Cn2c(=O)n(C)c1nc(Br)n(CC#N)c1c2=O	ZINC000000081283	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
NS(=O)(=O)c2cc(C(=O)NC[C@@H](N1CCNCC1)C(F)(F)F)ccn2	ZINC000648130936	O=C(NCCN1CCNCC1)c2ccncc2
CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)n3c(=O)c2ccccc2c3=O	ZINC000000133377	O=C(Cn2c(=O)c1ccccc1c2=O)NCC3CCCO3
C[N@]2CC[C@@](O)(CNc1ncncc1C#N)C2	ZINC000577746454	C2CC(CNc1ccncn1)CN2
CCS(=O)(=O)NCCS(=O)(=O)NC[C@@]2(CO)COCC1(CCC1)N2C	ZINC000625377075	C1CC2(C1)COCCN2
CO[C@@](C)(CO)CNC(=O)[C@H]1CCN(C)S1(=O)=O	ZINC000655215818	O=S1(=O)CCCN1
NS(=O)(=O)N2CCN(C(=O)C1=NN(CCO)C(=O)CC1)CC2	ZINC000270807492	O=C2CCC(C(=O)N1CCNCC1)=NN2
Cn2c(NN)nc(c1cccs1)c(C#N)c2=O	ZINC000000163291	O=c2cc(c1cccs1)nc[nH]2
CC[C@@H](C(=O)OC)C(=O)N1C[C@H](O)C[C@H]1C(N)=O	ZINC000600241943	C1CCNC1
CO[C@@](C)(CO)CNC(=O)[C@@H](C)S(C)(=O)=O	ZINC000655208372	nonring
O=C(N(CC#N)CC#N)C(=O)N(CC#N)CC#N	ZINC000004506242	nonring
Nc1nc(C(=O)NCCO)c(N)nc1C(=O)NCCO	ZINC000082149055	c1cnccn1
O[C@H]3[C@H](O)[C@H](n2cc(N1CCOCC1)c(=O)[nH]c2=O)O[C@H]3CF	ZINC000005496723	O=c2[nH]c(=O)n(C1CCCO1)cc2N3CCOCC3
Nc2ncn(S(=O)(=O)c1ccccc1)n2	ZINC000000073350	O=S(=O)(c1ccccc1)n2cncn2
Cn2c(NC(=O)C1CC1)cc(=O)n(C)c2=O	ZINC000000483392	O=C(Nc1cc(=O)[nH]c(=O)[nH]1)C2CC2
CC(=O)n1cc(C)c(=O)[nH]c1=O	ZINC000000011019	O=c1cc[nH]c(=O)[nH]1
CN(C)S(=O)(=O)N2CC(Nc1ncccc1S(N)(=O)=O)C2	ZINC000624708367	C1NCC1Nc2ccccn2
C[S@@](=O)C=C(NN)C(NN)=C[S@](C)=O	ZINC000005567310	nonring
CC(=O)Nc2cc(=O)c1c(=O)n(C)c(=O)n(C)c1[nH]2	ZINC000000340925	O=c2[nH]c(=O)c1c(=O)cc[nH]c1[nH]2
NC(=O)CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000558485345	c1ccccc1
COc2ccc(OC)c(N1C(=O)CS(=O)(=O)CC1=O)c2	ZINC000000101036	O=C1CS(=O)(=O)CC(=O)N1c2ccccc2
CCOC(=O)C(=C/c1ncc(N(=O)=O)n1C)/C(C)=O	ZINC000000001990	c1c[nH]cn1
OCCN(CCO)Cc1c[nH]c(=O)[nH]c1=O	ZINC000001682039	O=c1cc[nH]c(=O)[nH]1
Cn2c(SCC(N)=O)nc1ccccc1c2=O	ZINC000000034755	O=c1[nH]cnc2ccccc12
CN1CCNC[C@@H]1CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O	ZINC000394095301	O=c2[nH]cc(S(=O)(=O)NCC1CNCCN1)c(=O)[nH]2
CC[C@@H](C)n1c(N)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000265499	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CNC(=O)CN(C)S(=O)(=O)[C@@H](C)C(=O)N(C)C	ZINC000332510578	nonring
CCS(=O)(=O)NCCN(C)CC(=O)NC	ZINC000332510579	nonring
Cn2c(=O)n(C)c3cc(\C=N\n1cnnc1)ccc23	ZINC000000204785	O=c3[nH]c2ccc(C=Nn1cnnc1)cc2[nH]3
COc2ccc1n(=O)c(N)c(C(N)=O)n(=O)c1c2	ZINC000001616537	O=n1ccn(=O)c2ccccc12
C[C@H](NC(=O)C(=O)NC[C@@H]1COCCN1)[C@@H]2CN(C)CCO2	ZINC000627355554	O=C(NCC1COCCN1)C(=O)NCC2CNCCO2
CN(C)S(=O)(=O)NCC(=O)NCC(C)(C)C1(O)CCOCC1	ZINC000616343641	C1CCOCC1
NS(=O)(=O)N2CCN(C(=O)Cn1cnnn1)CC2	ZINC000040378948	O=C(Cn1cnnn1)N2CCNCC2
CC[C@@]3(C)NC(=O)N(NC(=O)CN2CCN(CC(=O)NC1CC1)CC2)C3=O	ZINC000022931025	O=C(CN2CCN(CC(=O)NN1C(=O)CNC1=O)CC2)NC3CC3
CC(=O)C1=C(O)C(=O)OC13C(=O)c2ccccc2C3=O	ZINC000000053229	O=C1OC3(C=C1)C(=O)c2ccccc2C3=O
CCN1CCN(C(=O)CNC(=O)CS(=O)(=O)NC(C)(C)C)CC1	ZINC000624645377	C1CNCCN1
CS(=O)(=O)N/N=C/c1ccccc1O	ZINC000000280853	c1ccccc1
Cc1c(CCC(N)=O)c(=O)n(C)c(=O)n1C	ZINC000003844372	O=c1cc[nH]c(=O)[nH]1
CCOC(=O)CNC(=O)CCc1c(C)n(C)c(=O)n(C)c1=O	ZINC000003844376	O=c1cc[nH]c(=O)[nH]1
O=N(=O)c3cnn(c2cnc1cc(=O)[nH]n1c2)c3	ZINC000000054925	O=c3cc2ncc(n1cccn1)cn2[nH]3
CN(C)S(=O)(=O)N2CC(NC(=O)[C@@H]1CC(=O)N1)C2	ZINC000629526592	O=C2CC(C(=O)NC1CNC1)N2
Cn2c1NCN(CCCCN)Cc1c(=O)n(C)c2=O	ZINC000004381352	O=c2[nH]c1NCNCc1c(=O)[nH]2
CCOc2cc([C@@H]1NC(=S)NC(C)=C1C(=O)NC)ccc2O	ZINC000000083282	S=C2NC=CC(c1ccccc1)N2
CN(CCCNC(=O)CN1CCN(S(N)(=O)=O)CC1)S(C)(=O)=O	ZINC000052487836	C1CNCCN1
COC(=O)N[C@@H]1[C@@H](NC(=O)OC)N(C)C(=O)N1C	ZINC000000298451	O=C1NCCN1
CC(C)C(=O)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000000288910	c1ccccc1
C[C@@H](CO)CCNc1ncnc2[nH]cnc12	ZINC000000057292	c2ncc1nc[nH]c1n2
COC(=O)COCC(=O)NC[C@@]2(CO)COCC1(CCC1)N2C	ZINC000600232287	C1CC2(C1)COCCN2
NC(=O)[C@@H]3CC[C@@H](C(=O)N2CCC[C@@H](N1CCNCC1=O)C2)O3	ZINC000646974445	O=C1CNCCN1C3CCCN(C(=O)C2CCCO2)C3
NC(=O)CN2CCN(C(=O)N[C@@H]1CCNC1)CC2=O	ZINC000627252162	O=C2CN(C(=O)NC1CCNC1)CCN2
CC(C)(NS(C)(=O)=O)C(=O)NCC2(N1CCOCC1)CCOCC2	ZINC000622689955	C2CC(N1CCOCC1)CCO2
NC2=NC(=O)N([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CN2	ZINC000017061763	O=C1N=CNCN1C2CCCO2
CNS(=O)(=O)NCC(=O)N[C@@H]2CCc1nc(C(C)C)nn1C2	ZINC000583941494	C2CCn1ncnc1C2
CN2C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)N2	ZINC000349663252	O=C(CNS(=O)(=O)c1c[nH]cn1)NC2CNNC2=O
CCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)C(=O)NC	ZINC000332480621	nonring
O=C(Cn1cnnn1)Nc2cccc(N(=O)=O)c2	ZINC000000307463	O=C(Cn1cnnn1)Nc2ccccc2
CS(=O)(=O)N2CCN(S(=O)(=O)N1CCOC[C@@H]1C(N)=O)CC2	ZINC000368590834	O=S(=O)(N1CCNCC1)N2CCOCC2
COC(=O)[C@@H]1NN=C(C(=O)OC)[C@H]1c2ccccc2	ZINC000000348027	C1NN=CC1c2ccccc2
COC(=O)c2ccn(Cn1cc(Br)cn1)n2	ZINC000000032362	C(n1cccn1)n2cccn2
CN2CCC[C@@H](NC(=O)C1(O)CNC1)C2=O	ZINC000662610760	O=C(NC1CCCNC1=O)C2CNC2
Cc3ccc2oc(=O)n(CC(=O)N1CCOCC1)c2c3	ZINC000000148227	O=C(Cn1c(=O)oc2ccccc12)N3CCOCC3
O=C(N2CCN(C(=O)c1ccco1)CC2)c3ccc(=O)[nH]n3	ZINC000000543910	O=C(N2CCN(C(=O)c1ccco1)CC2)c3ccc(=O)[nH]n3
COCCCS(=O)(=O)N(C)CCN1CCNCC1	ZINC000071237095	C1CNCCN1
O[C@H]3CO[C@@H](n1ccc2ccc(N(=O)=O)cc12)[C@@H](O)[C@H]3O	ZINC000000192506	C3CCC(n1ccc2ccccc12)OC3
CNS(=O)(=O)[C@@H]2CCN(C(=O)[C@@]1(OC)CCOC1)C2	ZINC000530454008	O=C(C1CCOC1)N2CCCC2
CCOC(=O)N3CCN(c2ccc1nnnn1n2)CC3	ZINC000000271969	C3CN(c2ccc1nnnn1n2)CCN3
OCCS(=O)(=O)CC(O)CS(=O)(=O)CCO	ZINC000044069185	nonring
C[C@H]2N(CC(=O)N1CCN(CC(=O)N(C)C)CC1)CCCNC2=O	ZINC000530466216	O=C2CN(CC(=O)N1CCNCC1)CCCN2
NC(=O)c2nnn(c1ccccc1)c2N	ZINC000000114820	c2ccc(n1ccnn1)cc2
NC(=O)NCP(=O)(CNC(N)=O)CNC(N)=O	ZINC000005502102	nonring
OC[C@H]3O[C@@H](N2C=N[C@@H]1NC(=O)NNC(=O)[C@H]12)[C@H](O)[C@@H]3O	ZINC000058511268	O=C1NNC(=O)C2C(N1)N=CN2C3CCCO3
CC(=O)Nc1ncn(C)c(=O)c1NC(C)=O	ZINC000000330482	O=c1ccnc[nH]1
OC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N1CCCC1)cc23	ZINC000000259525	O=c3ccc2cc(S(=O)(=O)N1CCCC1)ccc2[nH]3
CCC(=O)Nc1c(NC)n(C)c(=O)[nH]c1=O	ZINC000000330485	O=c1cc[nH]c(=O)[nH]1
CCOC(=O)CNC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000005411580	nonring
CS(=O)(=O)N2CCN(S(=O)(=O)NCCN1CCNC(=O)C1)CC2	ZINC000512460973	O=C2CN(CCNS(=O)(=O)N1CCNCC1)CCN2
CCCN1C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)CC1=O	ZINC000616365895	O=C1CCCN1
Nc2nc(N1CCOCC1)ncc2C#N	ZINC000000159663	C2CN(c1ncccn1)CCO2
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C2(C(=O)NC)CCC2	ZINC000600123223	O=C(CNC(=O)C1CCC1)N2CCCC2
OC3(C(=O)NCCCN2C(=O)NC1(CCCC1)C2=O)CNC3	ZINC000662448691	O=C(NCCCN2C(=O)NC1(CCCC1)C2=O)C3CNC3
CS(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)NCCN1CCOCC1)C2	ZINC000625482519	O=C(CNC(=O)C1CCCNC1)NCCN2CCOCC2
CC(C)COC(=O)C2[C@H](c1ccc(N(C)C)cc1)NC(=O)N=C2C	ZINC000000044566	O=C2NC(c1ccccc1)CC=N2
NC(=O)CNc1ccc(C(N)=O)cc1	ZINC000000138555	c1ccccc1
CCOC(=O)C2=NO[C@@H](Cn1cc(C(C)=O)c(=O)[nH]c1=O)C2	ZINC000000170239	O=c2ccn(CC1CC=NO1)c(=O)[nH]2
NC(=O)c2cn([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c3nc[nH]c(=O)c23	ZINC000017428735	O=c2[nH]cnc3n(C1CCCO1)ccc23
N[C@@H](CO)CN1C(=O)COCC1=O	ZINC000215072485	O=C1COCC(=O)N1
CNS(=O)(=O)CC(=O)N1CCN(C)C[C@@H]1CN	ZINC000571209236	C1CNCCN1
CC(O)(O)COC(=O)[C@@H]1CCC(=O)N1	ZINC000004671217	O=C1CCCN1
CNC(=O)n1cc(Br)c(\C=N\OC(C)=O)n1	ZINC000000077953	c1cn[nH]c1
CCOC(=O)C2CCN(C(=O)Cc1cccs1)CC2	ZINC000000030664	O=C(Cc1cccs1)N2CCCCC2
COC(=O)CN(C)C(=O)CS(=O)(=O)N(C)C	ZINC000332464129	nonring
C[C@H](N2CCN(C(=O)C(=O)N1CCCNCC1)CC2)C(=O)N3CCCC3	ZINC000643581015	O=C(CN2CCN(C(=O)C(=O)N1CCCNCC1)CC2)N3CCCC3
Cc2nn1c(SC[C@]1(C)O)nc2=O	ZINC000000496246	O=c2cnn1CCSc1n2
CN(C)S(=O)(=O)N2CCN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2	ZINC000025739060	O=C(Cn1ccc(=O)[nH]c1=O)N2CCNCC2
C[C@@H]2CN(CCNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)CCO2	ZINC000530817794	O=C(NCCN1CCOCC1)c2ccco2
CNS(=O)(=O)NCC(=O)N1CCNC(=O)C1	ZINC000584357728	O=C1CNCCN1
CS(=O)(=O)NCCc1ccncc1	ZINC000000151113	c1ccncc1
Nc1ccc(S(=O)(=O)CCOS(O)(=O)=O)cc1	ZINC000001841190	c1ccccc1
CO[C@@](C)(CO)CNC(=O)C1CCN(S(N)(=O)=O)CC1	ZINC000655209765	C1CCNCC1
CN(C)S(=O)(=O)N2CC(NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2	ZINC000629528069	O=C(NC1CNC1)C2=CCCCC2
COCCNC(=O)C(=O)NCCCO	ZINC000002477703	nonring
COC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N2CCOCC2	ZINC000000114486	O=S(=O)(N1CCOCC1)c2cc[nH]c2
CCOC(=O)c1c(C)oc(C)c1S(=O)(=O)N2CCOCC2	ZINC000000114482	O=S(=O)(N1CCOCC1)c2ccoc2
C[C@H]2CN(C(=O)C(=O)N1CCNC(=O)[C@@H]1C)C[C@@H](C)[N@]2CCO	ZINC000410455709	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
CN(C)C=c1c(=O)[nH]c(=O)[nH]c1=O	ZINC000001673695	C=c1c(=O)[nH]c(=O)[nH]c1=O
C[C@@H](N)CNC(=O)Cn1ccc(=O)n(C)c1=O	ZINC000647020083	O=c1cc[nH]c(=O)[nH]1
C[C@@H]1CS(=O)(=O)CCN1/N=C/c2ccc(N(=O)=O)o2	ZINC000000000542	O=S2(=O)CCN(N=Cc1ccco1)CC2
CN2CCN(C(=O)c1ccccc1N)CC2	ZINC000000045771	O=C(N1CCNCC1)c2ccccc2
NC(=O)CNC(=O)CN1CCCC1=O	ZINC000004146798	O=C1CCCN1
C[C@@H]2CN(C(=O)C(=O)N1CCC[C@@H]1CO)C[C@@H](C(N)=O)O2	ZINC000625383554	O=C(N1CCCC1)C(=O)N2CCOCC2
NCCNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000036286475	O=S1(=O)CCCC1
O=C2CN(C(=O)c1cccc(N(=O)=O)c1)CC(=O)N2	ZINC000000296911	O=C2CN(C(=O)c1ccccc1)CC(=O)N2
Cc1ccc(C(=O)N(CC(N)=O)CC(N)=O)cc1	ZINC000000296910	c1ccccc1
Cn1c(=O)[nH]c(=O)c2cc(N(=O)=O)cnc12	ZINC000000339426	O=c2[nH]c(=O)c1cccnc1[nH]2
CCCc1cc(=O)[nH]c(SCC(=O)OC)n1	ZINC000000145056	O=c1ccnc[nH]1
NC(=O)[C@@H]2CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C[C@H]2C(F)(F)F	ZINC000616375580	O=C(N1CCCC1)C2=CCCCC2
CS(=O)(=O)c2ccc(N1CCOCC1)c(S(C)(=O)=O)c2	ZINC000000466162	C2CN(c1ccccc1)CCO2
CSc2ccc(CN1CCC(C(N)=O)CC1)cc2	ZINC000000042929	C2CCN(Cc1ccccc1)CC2
CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)CO	ZINC000332437911	nonring
CO[C@@](C)(CO)CNC(=O)CCNS(C)(=O)=O	ZINC000655207806	nonring
O=c2n1CCCn1c(=O)n2c3ccccc3	ZINC000000110257	O=c2n1CCCn1c(=O)n2c3ccccc3
Nc2ccc(S(=O)(=O)NC(=O)C1CCCCC1)cc2	ZINC000000282360	O=C(NS(=O)(=O)c1ccccc1)C2CCCCC2
CC(C)N2C[C@H](C(=O)Nc1ccc(F)c(N(=O)=O)c1)CC2=O	ZINC000000032769	O=C2CC(C(=O)Nc1ccccc1)CN2
CNC(=O)C2CN(C(=O)CN1CC(=O)NC1=O)C2	ZINC000408268420	O=C2CN(CC(=O)N1CCC1)C(=O)N2
O=C1CNCCN1CC(=O)N3CCC(c2n[nH]c(=O)o2)CC3	ZINC000517739723	O=C1CNCCN1CC(=O)N3CCC(c2n[nH]c(=O)o2)CC3
CCOC(=O)[C@]12CC[C@](C(=O)OCC)(CC1=O)C(=O)C2	ZINC000000162325	O=C1CC2CCC1CC2=O
CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O	ZINC000000080412	c1ccccc1
CC(C)Cn1c(N(=O)=O)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000492363	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Cc2cn([C@@H]1CO[C@H](CO)S1)c(=O)[nH]c2=O	ZINC000000016386	O=c2ccn(C1COCS1)c(=O)[nH]2
O=C3C[C@H](Nc2nc(NCC#C)nc(N[C@@H]1CNC(=O)C1)n2)CN3	ZINC000491096652	O=C3CC(Nc2ncnc(NC1CNC(=O)C1)n2)CN3
Cn2c(NCc1ccc(F)cc1)cc(=O)n(C)c2=O	ZINC000000070248	O=c2cc(NCc1ccccc1)[nH]c(=O)[nH]2
OCCN(/N=C/c1ccco1)C2=NS(=O)(=O)c3ccccc23	ZINC000000084574	O=S3(=O)N=C(NN=Cc1ccco1)c2ccccc23
OC2CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2	ZINC000577549336	O=C(CNS(=O)(=O)c1ccccc1)N2CCC2
COc2cc(C(=O)N1CCN(CC(N)=O)C(=O)C1)on2	ZINC000622691261	O=C2CN(C(=O)c1ccno1)CCN2
C/C=C/N2C(=S)N[C@]3(O)c1ccccc1C(=O)[C@]23O	ZINC000000172072	O=C2C1NC(=S)NC1c3ccccc23
CNC(=O)CN2CCN(C(=O)Cn1c(=O)n(CC=C)c(=O)c1=O)CC2	ZINC000299564434	O=C(Cn1c(=O)[nH]c(=O)c1=O)N2CCNCC2
CC1[C@H](C(=O)NCCNS(C)(=O)=O)[C@H]1C(=O)NCCNS(C)(=O)=O	ZINC000665909314	C1CC1
Nc2cc(N)nc(SCC(=O)N1CCOCC1)n2	ZINC000000418002	O=C(CSc1ncccn1)N2CCOCC2
CC(C)NS(=O)(=O)NCCNC(=O)NCCN1C(=O)CNC1=O	ZINC000277423047	O=C1CNC(=O)N1
OC[C@@H]2O[C@H](n1ccc(=O)[nH]c1=O)[C@@H](N=N#N)[C@@H]2O	ZINC000004521171	O=c2ccn(C1CCCO1)c(=O)[nH]2
CCS(=O)(=O)N2CC(CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)C2	ZINC000409767124	O=C(NCC1CNC1)N2CCNCC2
C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O	ZINC000095558191	C1CCNC1
Cc3cc(C)n(c2nc1n(C)c(=O)[nH]c(=O)c1n2C)n3	ZINC000000208152	O=c3[nH]c(=O)c2[nH]c(n1cccn1)nc2[nH]3
O=C(COCC(=O)N1CCCC1)N2CCCC2	ZINC000000338486	O=C(COCC(=O)N1CCCC1)N2CCCC2
CNS(=O)(=O)NCC(=O)N2CC[C@@H]1C[N@@](C)C[C@@H]12	ZINC000646925681	C2CC1CNCC1N2
C[C@@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)CN2CCOCC2	ZINC000670537377	O=C(NCCCN1CCOCC1)C(=O)NCCN2CCOCC2
COCCN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1=O	ZINC000646951420	O=C1CNCCN1
CCS(=O)(=O)Nc2ccc(S(=O)(=O)Nc1ncccn1)cc2	ZINC000000204339	O=S(=O)(Nc1ncccn1)c2ccccc2
COC(=O)C[C@@H](O)CNC(=O)[C@@H]1C[N@@]2CCCN1CC2	ZINC000600463595	C1CN2CCN(C1)CC2
CNC(=O)NCCC(=O)N1CCN(CC(N)=O)C(=O)C1	ZINC000622691401	O=C1CNCCN1
C[C@H]1[C@H](C)N(C(=O)CNC(=O)CNC(C)=O)CCN1C	ZINC000356905595	C1CNCCN1
Cn3cc(S(=O)(=O)NCC(=O)Nc2nc(N1CCNCC1)n[nH]2)cn3	ZINC000584290131	O=C(CNS(=O)(=O)c1cn[nH]c1)Nc3nc(N2CCNCC2)n[nH]3
CNS(=O)(=O)NCC(=O)N2CCN(C(=O)c1ccccc1OC)CC2	ZINC000648139096	O=C(N1CCNCC1)c2ccccc2
CCOC(=O)c3cn([C@H]1CC(O)(O)[C@@H]2OC[C@H]1O2)nc3N	ZINC000000093236	C2CC(n1cccn1)C3COC2O3
CN2CCN(C(=O)C1(CO)COC1)C[C@@H]2CNC(=O)C3(CO)COC3	ZINC000566802245	O=C(NCC2CN(C(=O)C1COC1)CCN2)C3COC3
COC(=O)[C@@H](NC(=O)N1CCOCC1)C(C)C	ZINC000000536729	C1COCCN1
CCOc2ccc(CCNC(=O)N1CCOCC1)cc2OCC	ZINC000000033719	O=C(NCCc1ccccc1)N2CCOCC2
O=C(NCCNC(=O)[C@H]1COCCO1)C2CC2	ZINC000047954155	O=C(NCCNC(=O)C1COCCO1)C2CC2
CC[C@@](C)(NS(=O)(=O)c1c(C)ccc2nsnc12)C#C	ZINC000000033712	c2ccc1nsnc1c2
CNC(=O)CN(C)C(=O)CCC(=O)N(C)C	ZINC000001652758	nonring
C[C@H]2N(C(=O)C(=O)NCCC(=O)N1CCN(C)CC1)CCNC2=O	ZINC000284609572	O=C2CN(C(=O)C(=O)NCCC(=O)N1CCNCC1)CCN2
COc2cc(C)nc(Oc1ccc(OCC(N)=O)nn1)n2	ZINC000000302551	O(c1cccnn1)c2ncccn2
NCC(=O)NCC(=O)N[C@H](CCC(N)=O)C(O)=O	ZINC000039816781	nonring
CCCNC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)CCCNC(N)=N	ZINC000028890554	C1CCNC1
OC[C@@H]3O[C@@H]1[C@H](OC(=O)c2cc(=O)[nH]c(=O)n12)[C@@H]3O	ZINC000005159201	O=C2OC1CCOC1n3c2cc(=O)[nH]c3=O
C[C@@H](C(=O)N(C)C)S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1	ZINC000625624351	C1CNC1
COCCN(C)S(=O)(=O)[C@@H]2CCCN(C(=O)C(=O)NC1CNC1)C2	ZINC000584163025	O=C(NC1CNC1)C(=O)N2CCCCC2
CCN(CC)CC(=O)N2CCN(C(=O)[C@@H]1CCNC1=O)CC2	ZINC000668233704	O=C1NCCC1C(=O)N2CCNCC2
CS(=O)(=O)C(C#N)S(C)(=O)=O	ZINC000001737165	nonring
O=C2C[C@@H](Nc1c[nH]c(=O)[nH]c1=O)C(=O)N2c3ccccc3	ZINC000000046597	O=C2CC(Nc1c[nH]c(=O)[nH]c1=O)C(=O)N2c3ccccc3
COC(=O)c2ccc(S(=O)(=O)NN1CCOCC1)n2C	ZINC000000147528	O=S(=O)(NN1CCOCC1)c2ccc[nH]2
CCN2CCN(CC(=O)N1C[C@H](O)C[C@H]1C(N)=O)C(=O)C2=O	ZINC000628601873	O=C(CN1CCNC(=O)C1=O)N2CCCC2
CCN(CC)C(=O)c1sc(NC(=O)OC)c(C(N)=O)c1C	ZINC000000046842	c1ccsc1
O=S(=O)(NN1CCOCC1)c2cccc3nonc23	ZINC000000147526	O=S(=O)(NN1CCOCC1)c2cccc3nonc23
COc2nc1c(C)cccn1c(=O)c2\C=N\O	ZINC000000054020	O=c1ccnc2ccccn12
NC(=O)Cc2ccc(S(=O)(=O)N1CC(=O)NC(=O)C1)cc2	ZINC000003033041	O=C2CN(S(=O)(=O)c1ccccc1)CC(=O)N2
CCN2CCN(CC(=O)N1CCC[N@@](CC(=O)N(C)C)CC1)C(=O)C2=O	ZINC000363375344	O=C(CN1CCNC(=O)C1=O)N2CCCNCC2
CCn3c(=O)n(C)c2nc1SCCn1c2c3=O	ZINC000000190860	O=c3[nH]c(=O)c2n1CCSc1nc2[nH]3
COC(=O)c1[nH]c(=O)[nH]c(=O)c1N	ZINC000001718979	O=c1cc[nH]c(=O)[nH]1
C[C@H]2N(C(=O)[C@@H]1CC(=O)NC(=O)N1)CN(CCN(C)C)C2=O	ZINC000616479433	O=C2CN(C(=O)C1CC(=O)NC(=O)N1)CN2
CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O	ZINC000002561137	nonring
COC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC	ZINC000000056779	C1COCO1
O=C(Nc1nccs1)C(=S)N2CCOCC2	ZINC000000115959	O=C(Nc1nccs1)C(=S)N2CCOCC2
COc1nc(OC)nc(N(C)CCO)n1	ZINC000000295038	c1ncncn1
O=N(=O)c2cccc3c(=O)n(c1c[nH]c(=O)[nH]c1=O)c(=O)c23	ZINC000000267316	O=c3[nH]cc(n2c(=O)c1ccccc1c2=O)c(=O)[nH]3
COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000583937872	C1COCCN1
OC(=O)[C@H](Cc1cnc[nH]1)NC(=S)NCc2ccccc2	ZINC000000504179	S=C(NCCc1cnc[nH]1)NCc2ccccc2
NC(=O)CN3CCN(c2cncc(N1CCN(CC(N)=O)CC1)n2)CC3	ZINC000557472665	C3CN(c2cncc(N1CCNCC1)n2)CCN3
CCCc1nnc(NC(=O)CC(=O)NCC)s1	ZINC000000040191	c1nncs1
NC(=O)C3CCN([C@H]2CC(=O)N(c1ccccc1F)C2=O)CC3	ZINC000000077502	O=C2CC(N1CCCCC1)C(=O)N2c3ccccc3
CCN2CCN(CC(=O)NCCc1nc(N)n[nH]1)C(=O)C2=O	ZINC000647750229	O=C(CN1CCNC(=O)C1=O)NCCc2ncn[nH]2
O=C(CN2[C@H]1NC(=O)N[C@H]1NC2=O)NC3CCCCC3	ZINC000000539981	O=C(CN2C1NC(=O)NC1NC2=O)NC3CCCCC3
CSCC[C@H](NC(=O)CN1CCN(C)C(=O)C1)C(N)=O	ZINC000600259669	O=C1CNCCN1
CN(C[C@@H]1CCC[N@]1C)C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C	ZINC000616386320	O=C(NCC1CCCN1)C(=O)c2ccc[nH]2
CCN(CCO)C(=O)CS(=O)(=O)NC	ZINC000332432152	nonring
NC(=O)C3CCN(C(=O)CCn2nnc1ccccc1c2=O)CC3	ZINC000000425482	O=C(CCn2nnc1ccccc1c2=O)N3CCCCC3
COCCN2CCN(C(=O)NC[C@@H]1CNCCN1C)CC2=O	ZINC000584103204	O=C2CN(C(=O)NCC1CNCCN1)CCN2
CC3C[C@@]2(O)c1non(=O)c1CC[C@@]2(N)[N+]3=O	ZINC000019321188	O=[N+]1CCC2C1CCc3c2non3=O
NC(=O)c2ccc(n1c(=O)ccc1=O)cc2	ZINC000000051176	O=c1ccc(=O)n1c2ccccc2
O=C(NC1CC1)C(=O)N3CCN(S(=O)(=O)[C@@H]2CCOC2)CC3	ZINC000605318482	O=C(NC1CC1)C(=O)N3CCN(S(=O)(=O)C2CCOC2)CC3
CS(=O)(=O)CC(O)CS(C)(=O)=O	ZINC000002022332	nonring
CCOC(=O)CN1C(=O)[C@@](O)(CC(C)=O)c2ccccc12	ZINC000000207013	O=C2Cc1ccccc1N2
CC(=O)NCCNC(=O)C(=O)NCC#N	ZINC000036746489	nonring
O=C(CN2CCN(S(=O)(=O)N1CCOCC1)CC2)N3CCNC3=O	ZINC000032770131	O=C(CN2CCN(S(=O)(=O)N1CCOCC1)CC2)N3CCNC3=O
Cn2c(NCc1ccco1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000000544946	O=c3[nH]c(=O)c2[nH]c(NCc1ccco1)nc2[nH]3
NN=c2nc(c1cccnc1)nc(N)[nH]2	ZINC000000163109	N=c2nc(c1cccnc1)nc[nH]2
Nc1nnnn1CC(=O)NC3(C(=O)Nc2ccccc2)CCCCC3	ZINC000000092616	O=C(Cn1cnnn1)NC3(C(=O)Nc2ccccc2)CCCCC3
C[C@@H](CNC(=O)C(=O)N1CC(OCC(=O)N(C)C)C1)S(N)(=O)=O	ZINC000541017512	C1CNC1
COC(=O)C2=C(O)c1cc(OC)c(OC)cc1[C@@H]2c3ccccc3	ZINC000000044698	C2=Cc1ccccc1C2c3ccccc3
Cc1nn(C)c(=O)c1=Cc2c(C)[nH]n(C)c2=O	ZINC000000091497	O=c1[nH][nH]cc1C=c2cn[nH]c2=O
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CS(=O)(=O)NC	ZINC000332485199	nonring
OC(=O)c1ccccc1C(=O)Nc3sc2CCCc2c3C#N	ZINC000000038730	O=C(Nc2cc1CCCc1s2)c3ccccc3
CNC(=O)[C@@H](NC(=O)CS(=O)(=O)NC)C(C)C	ZINC000332500788	nonring
Cn3c(=O)[nH]c(=O)c4n2C[C@@H](COc1ccccc1)Oc2nc34	ZINC000000362829	O=c4[nH]c(=O)c3n2CC(COc1ccccc1)Oc2nc3[nH]4
CCn1c(=O)cc(N)n(C)c1=O	ZINC000000399838	O=c1cc[nH]c(=O)[nH]1
CN2[C@@H](N)C=CN([C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)C2=O	ZINC000106384018	O=C1NCC=CN1C2CCCO2
OCCN(CCO)Cc1c(C(O)=O)[nH]c(=O)[nH]c1=O	ZINC000096838250	O=c1cc[nH]c(=O)[nH]1
COC(=O)CN2[C@@H](CC(=O)Nc1ccccc1)C(=O)N(C)C2=S	ZINC000000459598	O=C(CC1NC(=S)NC1=O)Nc2ccccc2
CN(CC(=O)N1CCNCC1)S(=O)(=O)c2c[nH]cn2	ZINC000070415359	O=C(CNS(=O)(=O)c1c[nH]cn1)N2CCNCC2
C(CN2CCN(c1ncccn1)CC2)Nc4ccc3ccccc3n4	ZINC000000007523	C(CN2CCN(c1ncccn1)CC2)Nc4ccc3ccccc3n4
OCc3cn([C@@H]1CCCC[C@@H]1NCC(=O)N2CCNC(=O)C2)nn3	ZINC000530451936	O=C3CN(C(=O)CNC1CCCCC1n2ccnn2)CCN3
CN(C)S(=O)(=O)N2CC(NC(=O)N[C@@H]1CCNC1=O)C2	ZINC000624319953	O=C(NC1CNC1)NC2CCNC2=O
O=C(CN2C(=O)c1ccccc1S2(=O)=O)NCc3cccnc3	ZINC000000382651	O=C(CN2C(=O)c1ccccc1S2(=O)=O)NCc3cccnc3
COC(=O)C(OC)(OC)[C@@H]1OC(=O)C(OC)(OC)[C@@H]1O	ZINC000000340849	O=C1CCCO1
COc1ccccc1OC(=O)COc2ccc(N(=O)=O)cc2	ZINC000000038459	O=C(COc1ccccc1)Oc2ccccc2
Cn1c(N)c(C=O)c(=O)[nH]c1=O	ZINC000000154438	O=c1cc[nH]c(=O)[nH]1
Fc3ccc2[nH]c(=O)\c(=N/N1CCOCC1)c2c3	ZINC000000111062	O=c2[nH]c1ccccc1c2=NN3CCOCC3
O=C1NCCC[C@@H]1NC(=O)[C@@H]3CN(C(=O)c2cncnc2)CCN3	ZINC000067902445	O=C1NCCCC1NC(=O)C3CN(C(=O)c2cncnc2)CCN3
Nc1ncnc2[nH]c(SC[C@@H](O)CO)nc12	ZINC000000517422	c2ncc1nc[nH]c1n2
O=C1N[C@H]2C=C[C@@H]1[C@H]3NC(=O)[C@@H]2C=C3	ZINC000000339708	O=C1NC2C=CC1C3NC(=O)C2C=C3
COc2ccc(CCNC(=O)[C@@H]1CC=CC[C@@H]1C(O)=O)cc2	ZINC000000168687	O=C(NCCc1ccccc1)C2CCC=CC2
CN([C@H]1CNC[C@@H]1O)C(=O)C(=O)N3CCO[C@@H](C2CC2)C3	ZINC000643591740	O=C(NC1CCNC1)C(=O)N3CCOC(C2CC2)C3
CC1(C)OC[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)O1	ZINC000004521616	C1COCO1
Cn1nnnc1SCC(=O)NCc2ccco2	ZINC000000421107	O=C(CSc1nnn[nH]1)NCc2ccco2
COC(=O)Nn2c(=O)c1ccccc1c2=O	ZINC000000143529	O=c1[nH]c(=O)c2ccccc12
CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCC2CN(S(C)(=O)=O)C2	ZINC000409778912	O=C(NCC1CNC1)NC2CCCC2
CCS(=O)(=O)N(C)CCCNS(N)(=O)=O	ZINC000332480257	nonring
OCC[C@H]2[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n3c2cc(=O)[nH]c3=O	ZINC000005721694	O=c3cc2CC1CCC(O1)n2c(=O)[nH]3
C[N@@](CCO)CC(=O)N1CCC[C@@H](C(N)=O)C1	ZINC000049633967	C1CCNCC1
Nc3nc2n([C@@H]1CC[C@H](CO)O1)cnc2c(=O)[nH]3	ZINC000000024612	O=c2[nH]cnc3n(C1CCCO1)cnc23
OCCN2CCC(CNC(=O)C(=O)N1CCNC(=O)C1)CC2	ZINC000344677055	O=C2CN(C(=O)C(=O)NCC1CCNCC1)CCN2
CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(O)=O	ZINC000000097646	c1ccccc1
COC[C@@]1(C(N)=O)CCCN1C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2	ZINC000616432606	O=C(N1CCCC1)C2=CCCCC2
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2	ZINC000012372056	O=c2[nH]cc(S(=O)(=O)NC1CCS(=O)(=O)C1)c(=O)[nH]2
NC(=O)c2cc(N1C(=O)CCC1=O)ccc2N3CCOCC3	ZINC000000457945	O=C1CCC(=O)N1c3ccc(N2CCOCC2)cc3
CCNS(=O)(=O)N[C@@H](CC)CNS(C)(=O)=O	ZINC000332513921	nonring
NS(=O)(=O)c3ccc2[nH]c(=O)c1n[nH]c(=O)n1c2c3	ZINC000002150471	O=c2[nH]c1ccccc1n3c(=O)[nH]nc23
CS(=O)(=O)NCC(=O)N2CC[C@@](O)(CN1CCOCC1)C2	ZINC000257235238	C2CC(CN1CCOCC1)CN2
CCS(=O)(=O)NCC(=O)NC[C@@H](O)C(F)F	ZINC000332473476	nonring
NC(=O)c2nc(c1ccccc1)cn(=O)c2N	ZINC000000331354	O=n2ccnc(c1ccccc1)c2
CO[C@H]1C[C@H](C(=O)NC[C@](C)(O)C(=O)OC)N(S(C)(=O)=O)C1	ZINC000583974654	C1CCNC1
C[C@@H](NC(=O)C1CCCC1)C(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622691090	O=C2CN(C(=O)CNC(=O)C1CCCC1)CCN2
COc2nc(Nc1ccc(OC(F)(F)Cl)cc1)nc(OC)n2	ZINC000000035069	N(c1ccccc1)c2ncncn2
Cn1c(=O)n(C)c2cc(S(N)(=O)=O)ccc12	ZINC000000202227	O=c2[nH]c1ccccc1[nH]2
CC(=O)O[C@H]2C[C@H](n1cc(F)c(=O)[nH]c1=O)O[C@@H]2C(N)=O	ZINC000005166662	O=c2ccn(C1CCCO1)c(=O)[nH]2
CNS(=O)(=O)CCNC(=O)N2CCN(C(=O)Cn1cnnn1)CC2	ZINC000439847066	O=C(Cn1cnnn1)N2CCNCC2
Cc2nn([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](F)[C@@H]1O)c(=O)[nH]c2=O	ZINC000005503695	O=c2cnn(C1CCCCO1)c(=O)[nH]2
COCCS(=O)(=O)NCC(=O)N1CCNCC1	ZINC000042810315	C1CNCCN1
OCC2(N(=O)=O)COC(c1ccccc1)OC2	ZINC000000122633	C2COC(c1ccccc1)OC2
COC(=O)[C@@H](Cc1ccccc1)NC(=O)N2CCC(C(N)=O)CC2	ZINC000000489214	O=C(NCCc1ccccc1)N2CCCCC2
COC1[C@@H](O)[C@H](O)C(OC)[C@@H](O)[C@@H]1O	ZINC000002029156	C1CCCCC1
C[C@H]2CN(C(=O)C(=O)N1CCC[C@@](O)(CC(N)=O)C1)C[C@@H](C)N2CCO	ZINC000644917513	O=C(N1CCCCC1)C(=O)N2CCNCC2
CN1CCN(C(=O)NCCCS(C)(=O)=O)CC1=O	ZINC000525438228	O=C1CNCCN1
CCOC(=O)C2C=Nc1nnnn1[C@@H]2c3ccc(O)cc3	ZINC000000147193	C2C=Nc1nnnn1C2c3ccccc3
CNS(=O)(=O)[C@@H]1CC[N@@](CCC(=O)N(C)CC(=O)OC)C1	ZINC000533545645	C1CCNC1
C3CN(c2ccc(N1CCOCC1)nn2)CCO3	ZINC000000416432	C3CN(c2ccc(N1CCOCC1)nn2)CCO3
CC(C)C[C@H](NC(=O)CN)C(N)=O	ZINC000001691327	nonring
NC(=N)NN=c1ccc(=NNC(N)=S)cc1	ZINC000001550965	N=c1ccc(=N)cc1
Cc2cc(C(=O)NC[C@@H]1CNC[C@@H]1O)ccc2S(N)(=O)=O	ZINC000648133676	O=C(NCC1CCNC1)c2ccccc2
Cn2c(N1(=O)CCOCC1)n(=O)c3n(C)c(=O)n(C)c(=O)c23	ZINC000001692180	O=c3[nH]c(=O)c2[nH]c(N1(=O)CCOCC1)n(=O)c2[nH]3
CCOC(=O)c1ccc(S(N)(=O)=O)o1	ZINC000000189583	c1ccoc1
Cc1nonc1NC(=O)CN2CCCC2	ZINC000000189580	O=C(CN1CCCC1)Nc2cnon2
CN(C)C(=O)CCN2CC(N1CCNC1=O)C2	ZINC000660684653	O=C1NCCN1C2CNC2
CCN3CCN(C(=O)CNC(=O)c2ccc1C(=O)NCC(=O)Nc1c2)CC3	ZINC000583936843	O=C3CNC(=O)c2ccc(C(=O)NCC(=O)N1CCNCC1)cc2N3
O=C2Nc1ccccc1C23NNC(=S)NN3	ZINC000000163489	O=C2Nc1ccccc1C23NNC(=S)NN3
CCn1nncc1CNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2	ZINC000625666315	O=C2CN(C(=O)C(=O)NCc1cnn[nH]1)CCN2
CCS(=O)(=O)NCCS(=O)(=O)NCCN1CCNCC1	ZINC000262782236	C1CNCCN1
NC(=O)CN([C@@H]1CCNC1)C(=O)Cn2cncn2	ZINC000037540490	O=C(Cn1cncn1)NC2CCNC2
CNS(=O)(=O)NC[C@@H](COC)NS(=O)(=O)NC	ZINC000671683975	nonring
CC(=O)Cn1c(Cl)nc2c(=O)n(C)c(=O)n(C)c12	ZINC000000350427	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
O=C1CCC(=O)N1CCNC(=O)[C@H]2CCCNC2=O	ZINC000000192522	O=C1CCC(=O)N1CCNC(=O)C2CCCNC2=O
O[C@H]1CNC[C@H]1CNC(=O)[C@@H]2CCCN2c3ncccn3	ZINC000648132985	O=C(NCC1CCNC1)C2CCCN2c3ncccn3
COC(=O)C2CCN(C(=O)c1c[nH]c(=O)[nH]c1=O)CC2	ZINC000035154212	O=C(N1CCCCC1)c2c[nH]c(=O)[nH]c2=O
CCOC(=O)C2CCN(S(=O)(=O)c1cn(C)cn1)CC2	ZINC000000154050	O=S(=O)(N1CCCCC1)c2c[nH]cn2
CC[N@]2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)Cn1cncn1)C2	ZINC000671934769	O=C(NCCn1cncn1)C(=O)NCC2CNCCO2
C[C@@H](O)CN2CCN(C(=O)CN1CC(=O)N(C)C1=O)CC2	ZINC000625313633	O=C2CN(CC(=O)N1CCNCC1)C(=O)N2
CS(=O)(=O)[C@@H]2[C@@H]1OCCC[C@@H]1S2(=O)=O	ZINC000000478200	O=S2(=O)CC1OCCCC12
NS(=O)(=O)c1ccc(NC(=O)C(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)cc1	ZINC000104040889	c1ccccc1
COC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1	ZINC000000093399	c1ccncc1
CN2CCN(C(=O)CN1CCNCC1)CC2	ZINC000022933404	O=C(CN1CCNCC1)N2CCNCC2
COC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C	ZINC000651953770	C1CC1
CNS(=O)(=O)CC(=O)N(C)C1CNC1	ZINC000261527999	C1CNC1
O=C(NCc1c[nH]c(=O)[nH]c1=O)[C@H]3CNC[C@@H](C(=O)N2CCOCC2)C3	ZINC000096149298	O=C(NCc1c[nH]c(=O)[nH]c1=O)C3CNCC(C(=O)N2CCOCC2)C3
O=S(=O)(N1CCOCC1)c2cccnc2	ZINC000000399003	O=S(=O)(N1CCOCC1)c2cccnc2
CC(C)(O)[C@H]1Oc3c([C@@H]1O)c(=O)c2ccccc2c3=O	ZINC000000027448	O=c2c1CCOc1c(=O)c3ccccc23
CC(=O)NC[C@H](O)[C@H]2O[C@H]1OC(C)(C)O[C@H]1[C@@H]2NC(C)=O	ZINC000000041101	C2CC1OCOC1O2
Cn2cc(C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)c(=O)[nH]c2=O	ZINC000521363615	O=C(NCCS(=O)(=O)NCC1CCCCO1)c2c[nH]c(=O)[nH]c2=O
COc2cccc(NC(=O)CCN1CCCC1)c2	ZINC000000176484	O=C(CCN1CCCC1)Nc2ccccc2
CCNC(=O)CN(CC(=O)NC(=O)NC)CC(=O)NC(=O)NC	ZINC000356766516	nonring
Nc1nnnn1/N=C/c2ccccc2O	ZINC000000242132	C(=Nn1cnnn1)c2ccccc2
Cc2ccc(n1c(=O)ccc1=O)cc2n3c(=O)ccc3=O	ZINC000000098706	O=c1ccc(=O)n1c3cccc(n2c(=O)ccc2=O)c3
CN(C)C(=O)CNC(=O)C(=O)N2CCN(C(=O)Cn1cnnn1)CC2	ZINC000525838833	O=C(Cn1cnnn1)N2CCNCC2
C/N=C2\SC[C@](O)(c1ccc(Cl)c(S(N)(=O)=O)c1)N2C	ZINC000000000785	N=C2NC(c1ccccc1)CS2
CNC(=O)NCCNC(=O)[C@@H]2O[C@H](n1cc(C)c(=O)[nH]c1=O)C[C@@H]2O	ZINC000005648215	O=c2ccn(C1CCCO1)c(=O)[nH]2
CC(=O)OCCOCn1cc(C)n(=O)nc1=O	ZINC000001608034	O=c1nn(=O)cc[nH]1
Nc2nc1n(OC[C@@H](O)CO)cnc1c(=O)[nH]2	ZINC000001492932	O=c1[nH]cnc2[nH]cnc12
COc1cc(Cl)ccc1NC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000005330004	c1ccccc1
O=C1NCCC[C@@H]1C(=O)N3CCN(C(=O)c2ccco2)CC3	ZINC000000047118	O=C1NCCCC1C(=O)N3CCN(C(=O)c2ccco2)CC3
COC(=O)[C@H]2C[C@H](NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C2	ZINC000600114064	O=C(NC1CCC1)C2CCCO2
Fc1ccccc1c3nnn(CC(=O)NCc2ccccc2)n3	ZINC000000108631	O=C(Cn2nnc(c1ccccc1)n2)NCc3ccccc3
O=C2COc1ccc(N(=O)=O)cc1CN2	ZINC000000104674	O=C2COc1ccccc1CN2
O[C@H](CN(=O)=O)c2cnn(c1ccccc1)n2	ZINC000000132720	c2ccc(n1nccn1)cc2
CNS(=O)(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1	ZINC000561396606	C1CCNC1
CCNc2nc(NCC)nc(N(C)n1cnnc1)n2	ZINC000000246499	N(c1ncncn1)n2cnnc2
COc2cc(C(=O)N1CCOCC1)cc(OC)c2OC	ZINC000000000811	O=C(N1CCOCC1)c2ccccc2
CCNc1nc(NCC)nc(C(N)=O)n1	ZINC000000246495	c1ncncn1
CCOC(=O)Cn1c(OC)cc(=O)[nH]c1=O	ZINC000000549398	O=c1cc[nH]c(=O)[nH]1
CS(=O)(=O)N[C@@H]2CCN(CC(=O)N1CCNC(=O)C1)C2	ZINC000408181059	O=C2CN(C(=O)CN1CCCC1)CCN2
CNS(=O)(=O)NCC(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1	ZINC000570405747	C1CCNCC1
CCC(=O)c2cnc1c(=O)n(C)c(=O)n(C)c1n2	ZINC000000339448	O=c2[nH]c(=O)c1nccnc1[nH]2
Cc2ccc(\C=N\n1nnnc1N)s2	ZINC000000037734	C(=Nn1cnnn1)c2cccs2
CCCC[C@H](NC(N)=O)C(=O)N2CCN1[C@H](C[C@H](N)C1=O)C2	ZINC000516785571	O=C2CCC1CNCCN12
Cc2nc(N)c(N1CCN(CN)CC1)c(=O)[nH]2	ZINC000019327939	O=c1[nH]cncc1N2CCNCC2
CC2(C(=O)N1CCN(S(N)(=O)=O)CC1)CNC2	ZINC000332010363	O=C(C1CNC1)N2CCNCC2
NC(=O)CN3CCN(C(=O)c2ccnc(N1CCCC1)n2)CC3=O	ZINC000622691757	O=C3CN(C(=O)c2ccnc(N1CCCC1)n2)CCN3
Cc3ccc(S(=O)(=O)n1cnc2c(=O)[nH]c(N)nc12)cc3	ZINC000000383843	O=c2[nH]cnc3n(S(=O)(=O)c1ccccc1)cnc23
OCCN(CCO)S(=O)(=O)c1ccc2[nH]c(=O)c3cccc1c23	ZINC000000134868	O=c1[nH]c3cccc2cccc1c23
O=c2c1CCCCc1n(CC#N)c3ncnn23	ZINC000000139895	O=c2c1CCCCc1[nH]c3ncnn23
OCCN2CCN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2	ZINC000666190712	O=C(N1CCNCC1)C2=CCCCC2
CN2CCN(C(=O)C(=O)NCC(=O)N1CCNCC1)CC2=O	ZINC000576951261	O=C2CN(C(=O)C(=O)NCC(=O)N1CCNCC1)CCN2
Oc3ccc(c2cc(=O)c1ccc(O)cc1o2)cc3	ZINC000000057658	O=c2cc(c1ccccc1)oc3ccccc23
O=C3C[C@@H](C(=O)N2CN(CC1CC1)C(=O)C2)NC(=O)N3	ZINC000646966367	O=C3CC(C(=O)N2CN(CC1CC1)C(=O)C2)NC(=O)N3
NC(=O)CCN(CCC(N)=O)C1=NCCS1	ZINC000004644906	C1CN=CS1
Cn1nnnc1SCC(=O)NC(C)(C)C	ZINC000000051971	c1nnn[nH]1
CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@@](O)(CC(N)=O)C1	ZINC000644482578	C1CCNCC1
CC(=O)Oc1nsnc1N2CCOCC2	ZINC000000086863	C2CN(c1cnsn1)CCO2
Cc2nn(CC(=O)N1CCOCC1)c(=O)c3ccccc23	ZINC000000238413	O=C(Cn2ncc1ccccc1c2=O)N3CCOCC3
O[C@H]2C[C@@H](O)CN(C(=O)CCN1CCCS1(=O)=O)C2	ZINC000674806148	O=C(CCN1CCCS1(=O)=O)N2CCCCC2
Nc2nc(N1CCCCC1)c(F)c(N)n2=O	ZINC000000016415	O=n2ccc(N1CCCCC1)nc2
CN(C)S(=O)(=O)N(C)CC(=O)N2CCC[C@@H](c1cc(C(N)=O)[nH]n1)C2	ZINC000583939098	C2CNCC(c1cc[nH]n1)C2
CNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000004110793	O=S1(=O)CCCC1
CC(C)N3C(=O)[C@H]2Cc1nc[nH]c1CN2C3=O	ZINC000000009515	O=C3NC(=O)N2Cc1[nH]cnc1CC23
NS(=O)(=O)N3CCN(C(=O)[C@H]2CN(c1cn[nH]c1)C(=O)C2)CC3	ZINC000363658654	O=C2CC(C(=O)N1CCNCC1)CN2c3cn[nH]c3
Cc1nn(CC(N)=O)c(C)c1N(=O)=O	ZINC000000197056	c1cn[nH]c1
COc3ccc(n1nnc2c(=O)n(CC(N)=O)cnc12)cc3	ZINC000000252818	O=c2[nH]cnc3n(c1ccccc1)nnc23
COc3ccc(C(=O)Cn1cnc2c(=O)[nH]c(=O)n(C)c12)c(F)c3	ZINC000000400999	O=C(Cn1cnc2c(=O)[nH]c(=O)[nH]c12)c3ccccc3
Nn3c(C(=O)NCc1cccnc1)nc2ccccc2c3=O	ZINC000000137808	O=C(NCc1cccnc1)c3nc2ccccc2c(=O)[nH]3
Cc2cc(C)n([C@@H](CC(=O)N1CCCCC1)C(O)=O)n2	ZINC000000172017	O=C(CCn1cccn1)N2CCCCC2
CCc2nnc(SCC(=O)Nc1ccc(C(=O)OC)cc1)n2N	ZINC000000400995	O=C(CSc1nnc[nH]1)Nc2ccccc2
Cn3c(=O)ccn(CC(=O)N2CCN(C(=O)C(=O)NC1CC1)CC2)c3=O	ZINC000046045360	O=C(Cn1ccc(=O)[nH]c1=O)N3CCN(C(=O)C(=O)NC2CC2)CC3
Cn3c(=O)n(C)c2nc(Nc1ccccc1)n(CCO)c2c3=O	ZINC000000032603	O=c3[nH]c(=O)c2[nH]c(Nc1ccccc1)nc2[nH]3
Nc2ccc(S(=O)(=O)N1CCOCC1)cc2	ZINC000000128959	O=S(=O)(N1CCOCC1)c2ccccc2
CN(C)S(=O)(=O)c1ccc(N(=O)=O)cc1	ZINC000000128950	c1ccccc1
CNS(=O)(=O)c1ccc(N(=O)=O)cc1	ZINC000000128953	c1ccccc1
COC(=O)c2sc(N1CCOCC1)nc2N	ZINC000000169580	C2CN(c1nccs1)CCO2
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CO)C(=O)OC	ZINC000036818113	C1CCNC1
NS(=O)(=O)N3CCC(C(=O)NC[C@H]1CN2CCN1CC2)CC3	ZINC000370828040	O=C(NCC1CN2CCN1CC2)C3CCNCC3
CN(C)C(=O)[C@@H](O)[C@H](O)C(=O)N(C)C	ZINC000002024505	nonring
CN(C)NC(=O)C[C@@H]2Nc1ccccc1NC2=O	ZINC000000289708	O=C2CNc1ccccc1N2
CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000563311248	C1CCNC1
CC(C)[C@@H](CNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)N1CCN(C)CC1	ZINC000559611548	C1CNCCN1
CS(=O)(=O)N2CCN(C(=O)c1cccs1)CC2	ZINC000000285285	O=C(N1CCNCC1)c2cccs2
Cn2cc(C(=O)c1ccc(N)cc1)cc2/C=C/C(O)=O	ZINC000000013289	O=C(c1ccccc1)c2cc[nH]c2
CNC(=O)Cn3[nH]c(=NC(=O)N2CCN(Cc1nnc[nH]1)CC2)cc3C	ZINC000650107994	O=C(N=c1cc[nH][nH]1)N3CCN(Cc2nnc[nH]2)CC3
CC(C)CCCNC(=O)C(=O)NCC(=O)N1CCNCC1	ZINC000583921932	C1CNCCN1
Cn2c(=O)[nH]c(=O)/c(=C\C=C\c1ccco1)c2=O	ZINC000000086733	O=c2[nH]c(=O)c(=CC=Cc1ccco1)c(=O)[nH]2
NCC(=O)NCC(=O)N1CCCNCC1	ZINC000037482149	C1CNCCNC1
O=N(=O)c2ccc(\C=c1\[nH]c(=O)[nH]c1=O)cc2	ZINC000000073083	O=c2[nH]c(=O)c(=Cc1ccccc1)[nH]2
Cn1nccc1CC(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622691423	O=C2CN(C(=O)Cc1ccn[nH]1)CCN2
CN3CC(=O)N(CC(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)C3=O	ZINC000572525517	O=C1CNC(=O)N1CC(=O)N3CC(S(=O)(=O)N2CCNCC2)C3
COC2(C(=O)N1CCN(CC(N)=O)C(=O)C1)CCC2	ZINC000622691429	O=C2CN(C(=O)C1CCC1)CCN2
C[C@H](C(=O)Nn1cnnc1)n3c(=O)c2ccccc2c3=O	ZINC000000186410	O=C(Cn2c(=O)c1ccccc1c2=O)Nn3cnnc3
OC(=O)c2ccc(Cn1cc(Br)c(N(=O)=O)n1)o2	ZINC000000039408	C(c1ccco1)n2cccn2
CN(C[C@@H]1CCOC1)S(=O)(=O)c2n[nH]cc2C(O)=O	ZINC000399579856	O=S(=O)(NCC1CCOC1)c2cc[nH]n2
O=S(=O)(NCc1ccco1)c2cccc3nsnc23	ZINC000000036734	O=S(=O)(NCc1ccco1)c2cccc3nsnc23
CN([C@H]1CNC[C@@H]1O)C(=O)C(=O)NCCOCC2CCC2	ZINC000642704225	O=C(NCCOCC1CCC1)C(=O)NC2CCNC2
COCCNC(=O)C3(NC(=O)Cn2nc1CCCCn1c2=O)CC3	ZINC000650093431	O=C(Cn2nc1CCCCn1c2=O)NC3CC3
CN(C)CCN2CCN(C(=O)C(=O)N=c1cco[nH]1)CC2=O	ZINC000651957687	O=C2CN(C(=O)C(=O)N=c1cco[nH]1)CCN2
Cc3nc2n([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)cnc2c(=O)[nH]3	ZINC000016980248	O=c2[nH]cnc3n(C1CCCO1)cnc23
CCC(=O)NC1CCN(C(=O)CNC(=O)CN)CC1	ZINC000037814299	C1CCNCC1
CSc3nc2NC4=C([C@H](c1cccnc1)c2c(=O)[nH]3)C(=O)CCC4	ZINC000000079054	O=C1CCCC3=C1C(c2cccnc2)c4c(N3)nc[nH]c4=O
Cc3nc2n(c1ccccc1)ncc2c(=O)n3N	ZINC000000160271	O=c2[nH]cnc3n(c1ccccc1)ncc23
CNC(=O)OCc1cccc(COC(=O)NC)n1	ZINC000000057462	c1ccncc1
NC(=O)Cn2cc(C(=O)N1CCO[C@@H](C(N)=O)C1)nn2	ZINC000371805671	O=C(N1CCOCC1)c2c[nH]nn2
COC(=O)[C@]1(F)[C@@H](O)NC(=O)NC1=O	ZINC000001608201	O=C1CCNC(=O)N1
Cc3nc2nc(S(=O)(=O)N1CCOCC1)nn2c(C)c3C	ZINC000000033739	O=S(=O)(N1CCOCC1)c3nc2ncccn2n3
Cc2nnc(CNC(=O)[C@@H]1NC(=O)CNC1=O)o2	ZINC000644149421	O=C2CNC(=O)C(C(=O)NCc1nnco1)N2
C[C@H](O)[C@@H](O)[C@@H]2CNc1nc[nH]c(=O)c1N2	ZINC000000896202	O=c2[nH]cnc1NCCNc12
COCC[N@](C)CCNC(=O)C(=O)N(C)CCN1CCCS1(=O)=O	ZINC000647023950	O=S1(=O)CCCN1
COC(=O)[C@@H]1CNC(=O)CN1C(=O)[C@@H]2CCC(=O)N2	ZINC000344845812	O=C2CCC(C(=O)N1CCNC(=O)C1)N2
Cn3c(=O)n(C)c2n(C)c(=O)c(c1ccccc1)c(O)c2c3=O	ZINC000000086198	O=c3[nH]c(=O)c2cc(c1ccccc1)c(=O)[nH]c2[nH]3
COc3ccc2C=C1C(=O)NC(=O)N[C@]1(O)Oc2c3	ZINC000000141521	O=C3NC2Oc1ccccc1C=C2C(=O)N3
COC(=O)[C@@H]1CNC(=O)CN1C(=O)CN2CCN(C)C(=O)C2	ZINC000330952348	O=C2CN(CC(=O)N1CCNC(=O)C1)CCN2
CC(C)NC(=O)CNC(=O)Cn1ccc(=O)[nH]c1=O	ZINC000021710779	O=c1cc[nH]c(=O)[nH]1
CCOC(=O)N2CCN(S(=O)(=O)N1CCC(C(O)=O)CC1)CC2	ZINC000000259752	O=S(=O)(N1CCCCC1)N2CCNCC2
CN(C)CCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc12	ZINC000000218699	O=C2COc1ccccc1N2
C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O	ZINC000004899723	C1CCNC1
CC[C@H]2N(C(=S)NC(=O)c1ccccc1N(=O)=O)CCNC2=O	ZINC000000082295	O=C2CN(C(=S)NC(=O)c1ccccc1)CCN2
CN(CC(=O)N1CCNCC1)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O	ZINC000261849625	O=C(CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)N2CCNCC2
Cc2cn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c(=O)[nH]c2=O	ZINC000002583634	O=c2ccn(C1CCCO1)c(=O)[nH]2
OC(=O)CN(CC(O)=O)Cc1cc(O)ccc1O	ZINC000001231942	c1ccccc1
CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)N(CC)CC)CC1	ZINC000000217875	C1CCNCC1
CN2[C@H]1NC(=O)N(C)[C@@H]1N(C)C2=O	ZINC000000279620	O=C2NC1NC(=O)NC1N2
CCCN(CC(=O)NC)C(=O)CS(=O)(=O)NC	ZINC000332465993	nonring
COc1cc(C[C@@H](N)C(O)=O)ccc1O	ZINC000000085744	c1ccccc1
CNS(=O)(=O)NCC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1	ZINC000407995551	C1CNCCN1
NC(=S)N/N=C/C(=N\NC(N)=S)[C@@H](O)CO	ZINC000016931055	nonring
CC[C@@H](NC(=O)CNC(N)=O)C(=O)OC	ZINC000332446600	nonring
CNS(=O)(=O)NCC(=O)NCC(=O)N1CCCC1	ZINC000582493644	C1CCNC1
CN(C)C(=O)CNS(=O)(=O)CCCS(=O)(=O)N(C)C	ZINC000332509855	nonring
CCOC(=O)c1cnc(CN)c2c(OC)cc(OC)cc12	ZINC000000008765	c2ccc1cnccc1c2
CC(=O)N2CCN(C(=O)CCNC(=O)c1nc[nH]n1)CC2	ZINC000533406980	O=C(CCNC(=O)c1nc[nH]n1)N2CCNCC2
CCOC(=O)N2CCN(C(=S)NC(=O)c1ccco1)CC2	ZINC000000052837	O=C(NC(=S)N1CCNCC1)c2ccco2
COc2ccc(NC(=O)C[C@@H]1SCCNC1=O)cc2	ZINC000000052833	O=C(CC1SCCNC1=O)Nc2ccccc2
CCOc3ccc(N2C(=O)C[C@H](NCc1cccnc1)C2=O)cc3	ZINC000000062422	O=C2CC(NCc1cccnc1)C(=O)N2c3ccccc3
NC(=O)[C@@H]1COCCN1C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2	ZINC000613203788	O=C(C1CCCNC1)N2CCOCC2
OC[C@@H]3O[C@@H]1[C@@H](Oc2nc(=O)cnn12)[C@@H]3O	ZINC000001859286	O=c3cnn2C1OCCC1Oc2n3
NC(=O)C12C3C4C1C5C2C3C45C(N)=O	ZINC000001626470	C12C3C4C1C5C2C3C45
CC(=O)C(N(NC(N)=NN(=O)=O)C(N)=NN(=O)=O)C(C)=O	ZINC000019169381	nonring
Cn1nccc1CNC(=O)c2ccnn2C	ZINC000000375195	O=C(NCc1ccn[nH]1)c2ccn[nH]2
CO[C@H]1CNC[C@@H]1NC(=O)[C@H]2CCS(=O)(=O)C2	ZINC000036236124	O=C(NC1CCNC1)C2CCS(=O)(=O)C2
COC(=O)c2ccc(CN1C(=O)CCC1=O)o2	ZINC000000185860	O=C1CCC(=O)N1Cc2ccco2
COC(=O)[C@@H](C)NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000049498938	O=c1cc[nH]c(=O)[nH]1
O=C(Cn1cnc(N(=O)=O)n1)OCc2ccccc2	ZINC000000113892	O=C(Cn1cncn1)OCc2ccccc2
O=C2CN(C(=O)\C=C\c1ccccc1)CCN2	ZINC000000206213	O=C2CN(C(=O)C=Cc1ccccc1)CCN2
CCOC(=O)COc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1	ZINC000000073319	c1ccccc1
CCOC(=O)c2cc1c(=O)n(C)c(=O)n(C)c1nc2C	ZINC000000525791	O=c2[nH]c(=O)c1cccnc1[nH]2
OC[C@]12O[C@H](C=C1)[C@@H]4[C@H]2C(=O)N(c3ccc(Cl)c(C(O)=O)c3)C4=O	ZINC000000111007	O=C3C2C1OC(C=C1)C2C(=O)N3c4ccccc4
Cn1cc(C#N)c(=O)n(CC(=O)NCC(=O)OC(C)(C)C)c1=O	ZINC000342573549	O=c1cc[nH]c(=O)[nH]1
CO[C@H]1CNC[C@@H]1NC(=O)Cn2cncn2	ZINC000036235348	O=C(Cn1cncn1)NC2CCNC2
CN(CCNC(C)=O)C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1	ZINC000568632524	O=C1CNCCN1
CNC(=O)CN[C@@H](C)C(=O)NC(N)=O	ZINC000037207674	nonring
Cc3c(NS(=O)(=O)c1cn(C)cn1)c(=O)n(c2ccccc2)n3C	ZINC000000152851	O=c2c(NS(=O)(=O)c1c[nH]cn1)c[nH]n2c3ccccc3
CCOC(=O)CCN2C(=O)c1ccccc1S2(=O)=O	ZINC000000061994	O=C1NS(=O)(=O)c2ccccc12
Cc2cc(COCC(=O)N1CCN(CC(N)=O)C(=O)C1)on2	ZINC000622691652	O=C2CN(C(=O)COCc1ccno1)CCN2
CCOC(=O)[C@@H](CC(=O)N1C[C@H](O)[C@@H](O)C1)C(C)=O	ZINC000600217211	C1CCNC1
C[C@@H](CNC(=O)C(=O)N1CCNC(=O)C1)CN2CCN(C)CC2	ZINC000340770033	O=C2CN(C(=O)C(=O)NCCCN1CCNCC1)CCN2
O=S(=O)(NC1CC1)c3ccc(S(=O)(=O)N2CCOCC2)cc3	ZINC000000415506	O=S(=O)(NC1CC1)c3ccc(S(=O)(=O)N2CCOCC2)cc3
CN1[C@H]2[C@H](N(C)C1=O)N(CO)C(=O)N2CO	ZINC000001208869	O=C2NC1NC(=O)NC1N2
O=C1CNC(=S)N1Cc2ccc(N(=O)=O)cc2	ZINC000000076847	O=C1CNC(=S)N1Cc2ccccc2
COc2nc1n(C)c(=O)n(C)c(=O)c1n2Cc3ccccc3F	ZINC000000092097	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
Cn2c(=O)[nH]c(=O)c3n(Cc1ccc(F)cc1)cnc23	ZINC000000119658	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
CCn1c(O)cc(=O)n(CC)c1=S	ZINC000000119654	O=c1cc[nH]c(=S)[nH]1
NC(=O)CNC(=O)OCc1ccccc1	ZINC000000024096	c1ccccc1
CC(C)NC(=O)NC(=O)Cn1c(=O)c(C(N)=O)cn(C)c1=O	ZINC000012997392	O=c1cc[nH]c(=O)[nH]1
OCCSN=Nc2nc1c(=O)[nH]cnc1[nH]2	ZINC000001678768	O=c1[nH]cnc2[nH]cnc12
CCN([C@@H]1CCS(=O)(=O)C1)C(=O)Cn2c(=O)c(C(N)=O)cn(C)c2=O	ZINC000012997394	O=C(Cn1c(=O)cc[nH]c1=O)NC2CCS(=O)(=O)C2
C[N@@](CCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C2CC2	ZINC000343294117	O=C(NCCNC1CC1)C(=O)N2CCOCC2
CN2C(=O)C[C@@H](NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O)C2=O	ZINC000583332215	O=C(CCn1ccccc1=O)NC2CC(=O)NC2=O
O=c2cc(N1CCOCC1)c(=O)cc2N3CCOCC3	ZINC000000312059	O=c2cc(N1CCOCC1)c(=O)cc2N3CCOCC3
OC[C@H]2OC[C@@H](n1ccc(=O)[nH]c1=O)[C@@H]2CO	ZINC000003784788	O=c2ccn(C1CCOC1)c(=O)[nH]2
CC(=O)Nc2ccc(S(=O)(=O)Nc1c(C)[nH]c(=O)[nH]c1=O)cc2	ZINC000000368254	O=c2[nH]cc(NS(=O)(=O)c1ccccc1)c(=O)[nH]2
C=CCn2c(=O)n(CC(=O)NCCNC(=O)c1cccnc1)c(=O)c2=O	ZINC000299499852	O=C(Cn1c(=O)[nH]c(=O)c1=O)NCCNC(=O)c2cccnc2
CN(CCN)C(=O)CNS(=O)(=O)c1cn(C)cn1	ZINC000647088799	c1c[nH]cn1
Oc2ccc(C=c1c(=O)[nH]c(=S)[nH]c1=O)cc2O	ZINC000000136839	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccc2
CCOc2nc1n(C)c(=O)n(C)c(=O)c1n2C	ZINC000000110355	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
COc1ccc(CC(C(N)=O)C(N)=O)cc1	ZINC000000487567	c1ccccc1
COc1ccc(C(=O)NCC(O)=O)cc1OC	ZINC000000409471	c1ccccc1
O=C(NCCCN1CC1)C(=O)NCCCN2CC2	ZINC000001756784	O=C(NCCCN1CC1)C(=O)NCCCN2CC2
COc1ccc(C)cc1S(=O)(=O)N2CCC(C(N)=O)CC2	ZINC000000099847	O=S(=O)(N1CCCCC1)c2ccccc2
Cc6ccc5NC(=O)[C@]1(N[C@@H](CCC(O)=O)[C@@H]4[C@H]1C(=O)N(Cc3ccc2OCOc2c3)C4=O)c5c6	ZINC000002161221	O=C2Nc1ccccc1C23NCC6C3C(=O)N(Cc5ccc4OCOc4c5)C6=O
Cn2c(=O)n(C)c1[nH]c(NCCO)nc1c2=O	ZINC000003118440	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
C[C@@H]1C[N@@](CCO)[C@H](C)CN1C(=O)C[C@@H]2CC(=O)N2	ZINC000616342335	O=C2CC(CC(=O)N1CCNCC1)N2
O=S2(=O)CCN(CN1CCS(=O)(=O)NC1)CN2	ZINC000019322537	O=S2(=O)CCN(CN1CCS(=O)(=O)NC1)CN2
COc2ccc(C(=O)Nc1nnn(C)n1)cc2N(=O)=O	ZINC000000530030	O=C(Nc1nn[nH]n1)c2ccccc2
CCOC(=O)C2=C(N)Oc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c3ccccc3F	ZINC000000405750	O=c3[nH]c2OC=CC(c1ccccc1)c2c(=O)[nH]3
CNC(=O)C(=O)N[C@@H](C)CC(=O)OC	ZINC000332477569	nonring
COc3ccc(C(=O)Nc2ccc(N1CCOCC1)cc2)cc3OC	ZINC000000032017	O=C(Nc2ccc(N1CCOCC1)cc2)c3ccccc3
CNC(=O)CN1CCC(NC(=O)NC(C(N)=O)C(N)=O)CC1	ZINC000047424636	C1CCNCC1
NC(=O)C2CCN(C(=O)CSc1ccccn1)CC2	ZINC000000118793	O=C(CSc1ccccn1)N2CCCCC2
CC(C)CN2CCN(C(=O)C(=O)NCC(=O)N1CCNCC1)CC2	ZINC000517903169	O=C(CNC(=O)C(=O)N1CCNCC1)N2CCNCC2
COc3cc2[nH]c(=O)n(CCCC(=O)NC1CC1)c(=O)c2cc3OC	ZINC000000201459	O=C(CCCn2c(=O)[nH]c1ccccc1c2=O)NC3CC3
CC2(C)OC(=O)C(=Cc1ccc(CO)o1)C(=O)O2	ZINC000000109535	O=C1OCOC(=O)C1=Cc2ccco2
COc2cc1[nH]c(=O)n(CCC(=O)NC(C)C)c(=O)c1cc2OC	ZINC000000201451	O=c2[nH]c(=O)c1ccccc1[nH]2
COC(=O)\C=c2/sc1nc(=O)c(C)nn1c2=O	ZINC000000201453	C=c2sc1nc(=O)cnn1c2=O
CC[C@@H](CO)Nc2nc1n(C)c(=O)n(C)c(=O)c1n2C	ZINC000000121107	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CN(C)C(=O)CNC(=O)C(=O)N1CC(NC(C)=O)C1	ZINC000340460956	C1CNC1
CS(=O)(=O)N2CCN(S(=O)(=O)N1CCN(C(=O)CO)CC1)CC2	ZINC000543684358	O=S(=O)(N1CCNCC1)N2CCNCC2
CCN(CC)S(=O)(=O)c2cccc(C(=O)NCc1ccccc1)c2	ZINC000000192897	O=C(NCc1ccccc1)c2ccccc2
COc2cc([C@@H]1NC(=O)NC(C)=C1C(C)=O)cc(OC)c2OC	ZINC000000086508	O=C2NC=CC(c1ccccc1)N2
O=c2cc(CSc1ccccn1)[nH]c(=O)[nH]2	ZINC000000118749	O=c2cc(CSc1ccccn1)[nH]c(=O)[nH]2
C[C@@H](CN1CCCC1=O)NC(=O)C2(O)CNC2	ZINC000662519730	O=C1CCCN1CCNC(=O)C2CNC2
COCCN(C)CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1	ZINC000560939291	C1CSCCN1
NS(=O)(=O)c3cc([C@@]2(O)NC(=O)c1ccccc12)ccc3Cl	ZINC000000057255	O=C2NC(c1ccccc1)c3ccccc23
OCCN2CCN(C(=O)N1CCS(=O)(=O)CC1)CC2	ZINC000330321998	O=C(N1CCNCC1)N2CCS(=O)(=O)CC2
OC[C@@H]3O[C@H](n1cnc2c(=O)[nH]cnc12)C[C@H]3O	ZINC000000525876	O=c2[nH]cnc3n(C1CCCO1)cnc23
O[C@@H]2CC(C(=O)NCCn1cccc1)=C[C@@H](O)[C@H]2O	ZINC000646876727	O=C(NCCn1cccc1)C2=CCCCC2
Cc2c(S(=O)(=O)N1CCCC1)[nH]c(=O)[nH]c2=O	ZINC000000389973	O=c2cc(S(=O)(=O)N1CCCC1)[nH]c(=O)[nH]2
CC(C)NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000000389974	O=c1cc[nH]c(=O)[nH]1
Cc2ccc(NC(=O)CSc1nnc(N)s1)cc2	ZINC000000051811	O=C(CSc1nncs1)Nc2ccccc2
NC(=O)CN2CCN(S(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CC2	ZINC000036351100	O=S(=O)(N1CCNCC1)c2ccccc2
CS(=O)(=O)N2CCN(CC(=O)N1CC(O)(CO)C1)CC2	ZINC000615430650	O=C(CN1CCNCC1)N2CCC2
OCCS(=O)(=O)CCS(=O)(=O)CCO	ZINC000001732765	nonring
NS(=O)(=O)c2ccc(NC(=O)CN1CCCCC1)cc2	ZINC000000146373	O=C(CN1CCCCC1)Nc2ccccc2
Nc2nc(=O)n([C@@H]1C[C@H](O)[C@@H](O)[C@@H](CO)O1)cc2F	ZINC000031659406	O=c1ncccn1C2CCCCO2
O=c2cnn(Cc1ccccc1)c(=O)[nH]2	ZINC000000146377	O=c2cnn(Cc1ccccc1)c(=O)[nH]2
C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N2CCOCC2)C(=O)NC[C@@H]3CCCO3	ZINC000533380093	O=C(CNC1CS(=O)(=O)CC1N2CCOCC2)NCC3CCCO3
COC[C@H](N)C(=O)NC[C@@H](O)CO	ZINC000083341735	nonring
CC(C)NC(=O)COc2ccc(C=c1c(=O)[nH]c(=O)[nH]c1=O)cc2	ZINC000002957125	O=c2[nH]c(=O)c(=Cc1ccccc1)c(=O)[nH]2
COc2ccc(S(=O)(=O)N1CCCCC[C@@H]1C(=O)NO)cc2	ZINC000000023816	O=S(=O)(N1CCCCCC1)c2ccccc2
Nc2nc(N)nc(c1cnccn1)n2	ZINC000000023810	c2cnc(c1ncncn1)cn2
C[C@H]2CN(C(=O)c1cc(S(N)(=O)=O)cn1C)CCN2	ZINC000517738548	O=C(N1CCNCC1)c2ccc[nH]2
CCNS(=O)(=O)N1CCN(S(N)(=O)=O)CC1	ZINC000161289412	C1CNCCN1
O[C@H](COc1ccc(C(O)=O)cc1)Cn2cnc3ccccc23	ZINC000000098495	C(COc1ccccc1)Cn2cnc3ccccc23
Cn3c(=O)n(C)c2[nH]c(N1CCNCC1)nc2c3=O	ZINC000003716154	O=c3[nH]c(=O)c2nc(N1CCNCC1)[nH]c2[nH]3
CC2(C)NC(=O)N(C[C@@H](O)COc1ccccc1)C2=O	ZINC000000114862	O=C1CNC(=O)N1CCCOc2ccccc2
COC(=O)c/1c(C)[nH]c(=O)c\1=C/c2cccnc2	ZINC000000112475	O=c1[nH]ccc1=Cc2cccnc2
CC(CO)(CO)NC(=O)NCCS(=O)(=O)NCC1CCC1	ZINC000583938464	C1CCC1
CCOc2ccc(N[C@]1(CO)OC[C@H](O)[C@@H](O)[C@H]1O)cc2	ZINC000000394502	C2CCC(Nc1ccccc1)OC2
Cc1cc(N)nc(=O)n1[C@H]2C[C@H](O)[C@H](CO)O2	ZINC000001709544	O=c1ncccn1C2CCCO2
O=C(Cn2c(=O)c1ccccc1c2=O)N[C@@H]3CCSC3=O	ZINC000000182435	O=C(Cn2c(=O)c1ccccc1c2=O)NC3CCSC3=O
CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O	ZINC000038778622	nonring
CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1	ZINC000570352864	C1CCNCC1
NC(=O)C[C@H](NC(=O)c1ccccc1)C2CCCCC2	ZINC000000021410	O=C(NCC1CCCCC1)c2ccccc2
CC(=O)[C@]1(OBr)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000087492875	C1CCOCC1
CS(=O)(=O)N2CCN(CCNC(=O)NCCN1CCCS1(=O)=O)CC2	ZINC000061037868	O=C(NCCN1CCNCC1)NCCN2CCCS2(=O)=O
C[C@@H](Nc1nc(N)nc(N)n1)[C@@H]2CN(C)CCO2	ZINC000624051406	C2COC(CNc1ncncn1)CN2
CC(C)C[C@H](CN)CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000049784249	C1CCOCC1
CCN(CC)CC(=O)N2CCN(C(=O)[C@@H]1CN(C)C(=O)N1)CC2	ZINC000668233935	O=C2NCC(C(=O)N1CCNCC1)N2
CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC	ZINC000578332823	C1CCNC1
Cn3c(=O)n(C)c2nc(Cl)n(C[C@@H]1CO1)c2c3=O	ZINC000000164052	O=c3[nH]c(=O)c2n(CC1CO1)cnc2[nH]3
Cn2c(N)c(C(=O)CN1CC[C@@H](F)[C@H](N)C1)c(=O)n(C)c2=O	ZINC000662324010	O=C(CN1CCCCC1)c2c[nH]c(=O)[nH]c2=O
NC(=O)NC(=O)CN2CCN(C(=O)C(=O)N1CCOCC1)CC2	ZINC000016439744	O=C(N1CCNCC1)C(=O)N2CCOCC2
CN(C)S(=O)(=O)CCN1CC[C@@H](NS(C)(=O)=O)C1	ZINC000407948526	C1CCNC1
C[C@@H]2CN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)CC(=O)N2	ZINC000655298079	O=C2CN(C(=O)NCCN1CCNCC1)CCN2
CNS(=O)(=O)CC(=O)NCC(C)(C)CN(C)C(=O)CS(=O)(=O)NC	ZINC000478978992	nonring
CCN2CCN(C(=O)CNC(=O)CN1CCOCC1=O)CC2	ZINC000557097760	O=C(CN1CCOCC1=O)NCC(=O)N2CCNCC2
C[C@@H]2CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C[C@@H]2N3CCOCC3	ZINC000646876123	O=C(N2CCC(N1CCOCC1)C2)C3=CCCCC3
NCC(=O)NCC(=O)N[C@@H]1CC[N@]2CCC[C@@H]12	ZINC000037626688	C2CC1CCCN1C2
COC(=O)c2nc1c(C)nc(N(C)C)nc1n(C)c2=O	ZINC000000339469	O=c2cnc1cncnc1[nH]2
COC(=O)CNC(=O)CNS(=O)(=O)c1cccc(F)c1F	ZINC000583946651	c1ccccc1
CCS(=O)(=O)NCCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1	ZINC000623771272	C1CNCCN1
COC(=O)COc1cc(OC)ccc1C(O)=O	ZINC000000407443	c1ccccc1
COc2cc(OC)nc(NC(=O)CS(=O)(=O)c1ccccc1)n2	ZINC000000537191	O=C(CS(=O)(=O)c1ccccc1)Nc2ncccn2
O=c1ccc(=O)n1c3cccc(n2c(=O)ccc2=O)c3	ZINC000000096890	O=c1ccc(=O)n1c3cccc(n2c(=O)ccc2=O)c3
C[C@@H]2CN(CCNC(=O)Cn1ccc(=O)n(C)c1=O)CCO2	ZINC000624655927	O=C(Cn1ccc(=O)[nH]c1=O)NCCN2CCOCC2
NC(=O)C2CCN(CC(=O)N1CCC(C(N)=O)CC1)CC2	ZINC000004737119	O=C(CN1CCCCC1)N2CCCCC2
Cc1nn(C)c(C)c1Nc2n[nH]c(N)n2	ZINC000000141469	N(c1cn[nH]c1)c2nc[nH]n2
CCNS(=O)(=O)[C@@H]3CCN(C(=O)C(=O)N1C[C@@H]2CCC[C@H](C1)N2)C3	ZINC000643545603	O=C(N1CCCC1)C(=O)N2CC3CCCC(C2)N3
CN(Cc1ccccc1)S(=O)(=O)c2nc[nH]n2	ZINC000000081509	O=S(=O)(NCc1ccccc1)c2nc[nH]n2
CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@](C)(O)CN1CCOCC1	ZINC000429200739	C1COCCN1
O=C3CC[C@@H](C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)N3	ZINC000571524740	O=C3CCC(C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)N3
COc1ccc(N(=O)=O)cc1n2cnnn2	ZINC000000084021	c2ccc(n1cnnn1)cc2
Nc2nc1n(CCO)cnc1c(=O)[nH]2	ZINC000001672213	O=c1[nH]cnc2[nH]cnc12
N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O	ZINC000002575489	c1ccccc1
COc2ccc(S(=O)(=O)N1CCC(C)CC1)cc2C(O)=O	ZINC000000167786	O=S(=O)(N1CCCCC1)c2ccccc2
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1\C=C\c2ccccc2	ZINC000000048954	O=C2NC=CC(C=Cc1ccccc1)N2
COC(=O)[C@@H]1N[C@](C)(C(=O)OC)[C@H]2[C@@H]1C(=O)NC2=O	ZINC000005567277	O=C2NC(=O)C1CNCC12
Cc3ccc(S(=O)(=O)N2CCN(C(=O)CN1CCCC1)C2)cc3	ZINC000000048959	O=C(CN1CCCC1)N3CCN(S(=O)(=O)c2ccccc2)C3
CNS(=O)(=O)NC2CCN(C(=O)C1(O)CCC1)CC2	ZINC000651951863	O=C(C1CCC1)N2CCCCC2
CC(C)(C)c1onc(OC[P@](O)(O)=O)c1C[C@@H](N)C(O)=O	ZINC000004475051	c1cnoc1
O=C2NC[C@@H](c1ccccc1)[C@@H]2C(=O)NN=Cc3cc(=O)[nH]c(=O)[nH]3	ZINC000000027953	O=C2NCC(c1ccccc1)C2C(=O)NN=Cc3cc(=O)[nH]c(=O)[nH]3
CN2CCN(CCCNC(=O)CN1CCOCC1=O)CC2	ZINC000332638592	O=C(CN1CCOCC1=O)NCCCN2CCNCC2
CCn2cc(CC(=O)N1CCN(CC(N)=O)C(=O)C1)cn2	ZINC000622691229	O=C2CN(C(=O)Cc1cn[nH]c1)CCN2
C[C@@]2(c1ccc(N(=O)=O)cc1)NC(=O)NC2=O	ZINC000000181423	O=C2NC(c1ccccc1)C(=O)N2
OC(=O)c1nccnc1C(=O)Nc3ccc(N2CCOCC2)cc3	ZINC000000146163	O=C(Nc2ccc(N1CCOCC1)cc2)c3cnccn3
Cn3c(=O)c2cc1c(=O)n(C)c(=O)c1cc2c3=O	ZINC000000087590	O=c2[nH]c(=O)c3cc1c(=O)[nH]c(=O)c1cc23
COC(=O)C1CCN(S(=O)(=O)NCCNS(=O)(=O)NC(C)C)CC1	ZINC000428418591	C1CCNCC1
NS(=O)(=O)c2ccc(CNS(=O)(=O)c1ccccc1)cc2	ZINC000000131170	O=S(=O)(NCc1ccccc1)c2ccccc2
CN(C)S(=O)(=O)N=c2[nH]c1ccc(S(C)(=O)=O)cc1s2	ZINC000000031751	N=c2[nH]c1ccccc1s2
Oc2cccc(NC(=O)Cn1cnc(N(=O)=O)n1)c2	ZINC000000328106	O=C(Cn1cncn1)Nc2ccccc2
COc3cccc(C(=O)N2CCC(N1CCCCC1)(C(N)=O)CC2)c3	ZINC000000153848	O=C(N2CCC(N1CCCCC1)CC2)c3ccccc3
COc2ccc(CNC[C@@H](O)COc1ccc(C)cc1N(=O)=O)cc2	ZINC000000119359	C(CNCc1ccccc1)COc2ccccc2
COc2ccc(CNCc1ccccn1)cc2OC	ZINC000000169432	C(NCc1ccccn1)c2ccccc2
Cc1[nH]c(=O)[nH]c(=O)c1C=NNC(N)=S	ZINC000002288270	O=c1cc[nH]c(=O)[nH]1
Cc1cnc(C(=O)NC(C(N)=O)C(N)=O)cn1	ZINC000022877576	c1cnccn1
C[C@H](Cn1cnc2c(N)ncnc12)OC[P@](O)(O)=O	ZINC000001543475	c2ncc1nc[nH]c1n2
COC(=O)C1=C(O)CCS(=O)(=O)C1	ZINC000000385874	O=S1(=O)CCC=CC1
CNC(=O)[C@H](C)N1C[C@H](O)[C@@H](O)C1	ZINC000234333572	C1CCNC1
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@](O)(CC(N)=O)C1	ZINC000643691161	C1CCNCC1
O=C(CCn2c(=O)c1cccc(N(=O)=O)c1c2=O)NC[C@@H]3CCCO3	ZINC000000117401	O=C(CCn2c(=O)c1ccccc1c2=O)NCC3CCCO3
CS(=O)(=O)N[C@@H]2CN(C(=O)CN1CCOCC1)C[C@H]2O	ZINC000257209001	O=C(CN1CCOCC1)N2CCCC2
CNS(=O)(=O)CC(=O)N(C)CC(=O)NC(C)C	ZINC000332453994	nonring
Cc1nccn1CCCN2C(=O)CNC2=S	ZINC000000481630	O=C1CNC(=S)N1CCCn2ccnc2
CCN2CCN(S(=O)(=O)N1C[C@H](N)C[C@H]1C(=O)NC)CC2	ZINC000067954581	O=S(=O)(N1CCCC1)N2CCNCC2
O=c3[nH]c(=O)c2sc1=NCCCn1c2[nH]3	ZINC000000384844	O=c3[nH]c(=O)c2sc1=NCCCn1c2[nH]3
COc3ccc(c2cc(C(F)(F)F)n1nc(C(O)=O)nc1n2)cc3	ZINC000000061441	c3ccc(c2ccn1ncnc1n2)cc3
CC(C)(CO)NS(=O)(=O)N1CCNCC1	ZINC000040860471	C1CNCCN1
NN2CC(=O)N(c1cccc(C(F)(F)F)c1)CC2=O	ZINC000000160256	O=C2CN(c1ccccc1)C(=O)CN2
CNS(=O)(=O)N1CCN(C(=O)[C@H](CO)NC(=O)C(C)C)CC1	ZINC000651996825	C1CNCCN1
Cc2cn([C@@H]1C[C@@H](O)[C@H](CO)O1)c(=O)n(C)c2=O	ZINC000001510793	O=c2ccn(C1CCCO1)c(=O)[nH]2
CCCCS(=O)(=O)NCC(=O)NC[C@@H]1CNC[C@@H]1O	ZINC000648133421	C1CCNC1
CNC(=O)Cn2cc(NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)cn2	ZINC000650110972	O=C(NC1CCNC1)Nc2cn[nH]c2
CNS(=O)(=O)NC2CCN(C(=O)CNC(=O)c1ccncc1)CC2	ZINC000651952074	O=C(CNC(=O)c1ccncc1)N2CCCCC2
CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(CC(N)=O)C(=O)C1	ZINC000582067787	O=C1CNCCN1
O=c2oc(=O)c3cc1c(=O)oc(=O)c1cc23	ZINC000000391926	O=c2oc(=O)c3cc1c(=O)oc(=O)c1cc23
NC(=O)[C@H]2C[C@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)C2	ZINC000624624902	O=C(NC1CCC1)N2CCNCC2
CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)CO	ZINC000332461773	nonring
C[C@@H]1CN(S(=O)(=O)N(C)C)C[C@@H](C)O1	ZINC000000456289	C1COCCN1
CC[C@H](N(C)CC(=O)NC)C(N)=O	ZINC000061679035	nonring
CC(=O)N1CN(C(C)=O)[C@@H](O)[C@@H]1O	ZINC000000039626	C1CNCN1
N[C@@H](Cc1ccc(O)cc1)C(=O)NO	ZINC000000009568	c1ccccc1
Cn3c(=O)c2c1CCCCc1sc2n4c(SCC(N)=O)nnc34	ZINC000000085507	O=c3[nH]c1nncn1c4sc2CCCCc2c34
O=C1NN=C2C[C@@]34CC[C@@]12CC3=NNC4=O	ZINC000000189770	O=C1NN=C2CC34CCC12CC3=NNC4=O
Cc2cc(C)nc(Sc1nc(N(=O)=O)nn1C)n2	ZINC000000089991	S(c1ncccn1)c2ncn[nH]2
Cn1c(CO)nc2n(C)c(=O)n(C)c(=O)c12	ZINC000000189779	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CSCC[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(N)=O	ZINC000600264869	C1CCNCC1
CC(C)NC(=O)CN(C)C(=O)CNS(=O)(=O)c1c(F)cccc1F	ZINC000008354155	c1ccccc1
Cn3c2NCN(C[C@@H]1CCCO1)Cc2c(=O)n(C)c3=O	ZINC000000129488	O=c3[nH]c2NCN(CC1CCCO1)Cc2c(=O)[nH]3
CN2CCN(C(=O)c1ccc(N)cc1C(O)=O)CC2	ZINC000000386759	O=C(N1CCNCC1)c2ccccc2
NCCOCCN2CCN(C(=O)CN1CCOCC1)CC2	ZINC000357079607	O=C(CN1CCOCC1)N2CCNCC2
Cc2ccc(S(=O)(=O)NCC(=O)N1CCOCC1)cc2	ZINC000000308468	O=C(CNS(=O)(=O)c1ccccc1)N2CCOCC2
CC(=O)OCCn2c(=O)c1ccc(N)cc1c2=O	ZINC000000183440	O=c1[nH]c(=O)c2ccccc12
CN(C)S(=O)(=O)NCCNS(=O)(=O)c1cnnn1c2ccccc2	ZINC000625211214	c2ccc(n1ccnn1)cc2
Cc2cn([C@@H]1OC[C@@H](O)[C@@H]1CO)c(=O)[nH]c2=O	ZINC000003881601	O=c2ccn(C1CCCO1)c(=O)[nH]2
CS(=O)(=O)N1CCN(S(=O)(=O)N(CCO)CCO)CC1	ZINC000341196738	C1CNCCN1
CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c2ccccc2N(=O)=O	ZINC000000067420	O=C2NC=CC(c1ccccc1)N2
C[C@@H](C(=O)N(C)C)S(=O)(=O)N(C)CC(C)(CO)CO	ZINC000332452810	nonring
OCCN(CCO)S(=O)(=O)c1ccc(N(=O)=O)cc1	ZINC000000283386	c1ccccc1
CCCn2c(=O)n(C)c1[nH]cnc1c2=O	ZINC000000014162	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
Nc2nc(N)nc(SCC(=O)N1CCNC(=O)C1)n2	ZINC000011233843	O=C2CN(C(=O)CSc1ncncn1)CCN2
CN(C)S(=O)(=O)N3CC(NC(=O)N[C@@H]2CCN(C1CCC1)C2=O)C3	ZINC000625025654	O=C(NC1CNC1)NC3CCN(C2CCC2)C3=O
CCO[C@@H](SCC)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000004692598	nonring
OC[C@@H]2O[C@@H](Nc1ccccc1)[C@@H](O)[C@H](O)[C@@H]2O	ZINC000001105255	C2CCC(Nc1ccccc1)OC2
CC(=O)N[C@H]1C[C@@](O)(C(=O)NCC(N)=O)C[C@@H](O)[C@@H]1O	ZINC000003838741	C1CCCCC1
COC[C@@]2(CNC(=O)[C@@H]1CCN(C)S1(=O)=O)CCCN2	ZINC000648136415	O=C(NCC1CCCN1)C2CCNS2(=O)=O
CC(=O)N[C@@H]1C=C(C(=O)NCC(N)=O)C[C@@H](O)[C@@H]1O	ZINC000003838746	C1CCC=CC1
NC(=O)CNC(=O)c1cccc(Cl)c1	ZINC000000039820	c1ccccc1
S=C(NCCN1CCOCC1)NNC(=S)NCCN2CCOCC2	ZINC000019856896	S=C(NCCN1CCOCC1)NNC(=S)NCCN2CCOCC2
CN(C)C(=O)CCN2CCN(C(=O)C(=O)NC[C@@H]1COCCO1)CC2	ZINC000556580850	O=C(NCC1COCCO1)C(=O)N2CCNCC2
CSc2nc1ncc(C#N)c(N)n1n2	ZINC000000093634	c2cnc1ncnn1c2
CC(=O)N[C@@H](CCCNC(N)=N)C(N)=O	ZINC000002560000	nonring
C[C@H]3N(C[C@@H]2CCC1(CNC1)O2)CCNC3=O	ZINC000662252929	O=C3CN(CC2CCC1(CNC1)O2)CCN3
CC[C@@H](O)CN2CCN(C(=O)Cn1cnnn1)CC2	ZINC000330643279	O=C(Cn1cnnn1)N2CCNCC2
CCOC(=O)C(=CN=c2[nH]c1ccc(C(=O)OCC)cc1s2)C#N	ZINC000000078815	N=c2[nH]c1ccccc1s2
CN(C)C(=O)CN(C)C(=O)C(=O)NCC(N)=S	ZINC000037271723	nonring
OC[C@H](O)[C@@H]2O[C@H](c1ccccc1)OC[C@@H]2O	ZINC000000040770	C2COC(c1ccccc1)OC2
N[C@@H](Cc1c[nH]c(=O)[nH]c1=O)C(O)=O	ZINC000008616307	O=c1cc[nH]c(=O)[nH]1
O=C3[C@H]2[C@H]1O[C@H](C=C1)[C@H]2C(=O)N3c4cccc(N(=O)=O)c4	ZINC000000110990	O=C3C2C1OC(C=C1)C2C(=O)N3c4ccccc4
CC3(C)O[C@@H]2C[C@@]1(O)C[C@H](OC1=O)[C@@H]2O3	ZINC000000401837	O=C1OC3CC1CC2OCOC23
OCCn3nnc(c2ccc(OCc1ccccc1)cc2)n3	ZINC000000011281	C(Oc2ccc(c1nn[nH]n1)cc2)c3ccccc3
O=C(N2CCN(S(=O)(=O)N1CCOCC1)CC2)c3cnccn3	ZINC000044712049	O=C(N2CCN(S(=O)(=O)N1CCOCC1)CC2)c3cnccn3
NC(NNC(N)=NN(=O)=O)=NN(=O)=O	ZINC000004551925	nonring
COc2cc(C=C1C(=O)CNC1=O)ccc2O	ZINC000000179024	O=C1CNC(=O)C1=Cc2ccccc2
COC(=O)CN(C)C(=O)C(C)(C)NS(C)(=O)=O	ZINC000332505183	nonring
NC(=O)Cn2cc(C(=O)N1CCOC[C@@H]1C(N)=O)nn2	ZINC000367541357	O=C(N1CCOCC1)c2c[nH]nn2
O[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)COCCNC(=O)c2ccccc2	ZINC000584003387	O=C(COCCNC(=O)c1ccccc1)NC2CCS(=O)(=O)C2
N[C@@H](CS[C@@H]1C[C@@H]([C@H](N)C(O)=O)ON1)C(O)=O	ZINC000006361546	C1CNOC1
COc3ccc(CC(=O)N2CCN(c1ccccc1OC)CC2)cc3	ZINC000000064768	O=C(Cc1ccccc1)N3CCN(c2ccccc2)CC3
C4CN(c2ncnc3n(Cc1ccccc1)nnc23)CCO4	ZINC000000117973	C4CN(c2ncnc3n(Cc1ccccc1)nnc23)CCO4
OC[C@H]2N[C@@H](C[S@](=O)c1ccccc1)[C@@H](O)[C@@H]2O	ZINC000006582370	O=S(CC1CCCN1)c2ccccc2
CNS(=O)(=O)NCC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1	ZINC000628552833	C1COCCN1
COc1nonc1n3nnc(C(=O)c2ccccc2)c3C	ZINC000000092211	O=C(c1ccccc1)c3cn(c2cnon2)nn3
COCCN2C[C@@H](C(=O)NCCNS(=O)(=O)Cc1ccon1)CC2=O	ZINC000530697157	O=C2CC(C(=O)NCCNS(=O)(=O)Cc1ccon1)CN2
CN3CCN(C[C@@H]2CN(C(=O)CN1CCCC1=O)CCO2)CC3	ZINC000370759953	O=C1CCCN1CC(=O)N3CCOC(CN2CCNCC2)C3
COc1ccc(S(=O)(=O)CCO)cc1N	ZINC000000199063	c1ccccc1
CC(C)(CO)NC(=O)c1cccc(C(=O)NC(C)(C)CO)c1F	ZINC000000142259	c1ccccc1
Clc3ccc(C(=O)NC2=C[C@@H]1[C@@H](COC1=O)OC2=O)cc3	ZINC000000080027	O=C(NC2=CC1C(COC1=O)OC2=O)c3ccccc3
CCOC(=O)CSc1ncnc2[nH]cnc12	ZINC000000034263	c2ncc1nc[nH]c1n2
COc2cc(Cn1ccnc1)c(OC)cc2Cn3ccnc3	ZINC000000034262	C(c2ccc(Cn1ccnc1)cc2)n3ccnc3
CSc2nc1c(N)ncn(C[C@@H](O)CO)c1n2	ZINC000000487540	c2nc1cnc[nH]c1n2
CN1CCN(C(=O)CN(C)CCNS(C)(=O)=O)CC1	ZINC000093174115	C1CNCCN1
C[C@@H]1CC[C@@H](O)CN1C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2	ZINC000616379600	O=C(N1CCCCC1)C2=CCCCC2
CN(C)CCN2CCN(C(=O)C(=O)N=c1nc[nH]n1C)CC2=O	ZINC000651957789	O=C2CN(C(=O)C(=O)N=c1nc[nH][nH]1)CCN2
Nc3nc2n([C@H]1CO[C@@H](CO)[C@@H]1O)cnc2c(=O)[nH]3	ZINC000001493409	O=c2[nH]cnc3n(C1CCOC1)cnc23
C[C@H]2CN(C(=O)[C@H]1C[C@@H](O)CN1)CCN2S(C)(=O)=O	ZINC000569342143	O=C(C1CCCN1)N2CCNCC2
C[C@H](N(C)CCNC(=O)N(C)C)C(=O)NC(N)=O	ZINC000332477546	nonring
OC[C@H]2O[C@@H](O[C@]1(C#N)CCC=C1)[C@H](O)[C@@H](O)[C@@H]2O	ZINC000004097525	C2CCC(OC1CCC=C1)OC2
COCCn2c(N1CCN(C)CC1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000003903343	O=c3[nH]c(=O)c2[nH]c(N1CCNCC1)nc2[nH]3
O=C(NN1CCOCC1)Nc2ccno2	ZINC000000122429	O=C(NN1CCOCC1)Nc2ccno2
CN(CCc1ccccc1)CCS(=O)(=O)c2ccc(F)cc2	ZINC000000016708	O=S(=O)(CCNCCc1ccccc1)c2ccccc2
Cn3cc(n2[nH]c(=O)n(c1ccccc1)c2=O)c(=O)n(C)c3=O	ZINC000001566700	O=c3[nH]cc(n2[nH]c(=O)n(c1ccccc1)c2=O)c(=O)[nH]3
CN3CCN(c2nc1c(=O)[nH]cnc1n2C[C@@H](O)CO)CC3	ZINC000006564874	O=c2[nH]cnc3[nH]c(N1CCNCC1)nc23
C[C@@]2(CO)CN(c1ccccc1)NC2=O	ZINC000000156137	O=C2CCN(c1ccccc1)N2
c1ccc3c(c1)c(n2ccnc2)nn4nnnc34	ZINC000000110747	c1ccc3c(c1)c(n2ccnc2)nn4nnnc34
CSCC[C@@H](NC(N)=O)C(=O)N2CCN(C(=O)C(=O)NC1CC1)CC2	ZINC000046044194	O=C(NC1CC1)C(=O)N2CCNCC2
CCOC(=O)N2CCN(S(=O)(=O)c1c(C)nn(C)c1C)CC2	ZINC000000224283	O=S(=O)(N1CCNCC1)c2cn[nH]c2
c3cn(c2ccc1nnnn1n2)cn3	ZINC000000110741	c3cn(c2ccc1nnnn1n2)cn3
COc2ccc(NC(=O)CN1CCC(C(N)=O)CC1)cc2	ZINC000000299691	O=C(CN1CCCCC1)Nc2ccccc2
NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O	ZINC000001576027	c1ccccc1
C[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(O)=O	ZINC000001576025	nonring
O=C(CCN2[C@H]1CS(=O)(=O)C[C@@H]1NC2=O)N[C@@H]3CCS(=O)(=O)C3	ZINC000040169181	O=C(CCN2C1CS(=O)(=O)CC1NC2=O)NC3CCS(=O)(=O)C3
OCc2nc(CO)n(Cc1ccccc1)n2	ZINC000000188499	C(c1ccccc1)n2cncn2
COCCNC(=O)CN2CCN([C@@H](C)C(=O)NC(=O)NC1CC1)CC2	ZINC000022847705	O=C(CN1CCNCC1)NC(=O)NC2CC2
NC(=O)c2coc([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)n2	ZINC000005809059	C2COC(c1ncco1)C2
CN2CCN(CC(=O)N1CC(O)(CO)C1)CC2=O	ZINC000615432748	O=C2CN(CC(=O)N1CCC1)CCN2
NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000003399201	O=S1(=O)CCCC1
COC[C@@H]2CN(c1nc(N)nc(N)n1)CC(C)(C)O2	ZINC000624192788	C2CN(c1ncncn1)CCO2
Cc2ncc(CSCC(=O)Nc1ccccc1F)c(CO)c2O	ZINC000000094361	O=C(CSCc1cccnc1)Nc2ccccc2
O[C@H](CN1CCOC1=O)Cn2ccnc2N(=O)=O	ZINC000000012331	O=C1OCCN1CCCn2ccnc2
COCCS(=O)(=O)N1CCC[C@@H]1C(=O)N2CCN(C)CC2	ZINC000363659975	O=C(C1CCCN1)N2CCNCC2
CCCCNC(=O)NC(=O)CN2CCN(C(=O)C(=O)NC1CC1)CC2	ZINC000048007599	O=C(NC1CC1)C(=O)N2CCNCC2
OCC2(O)CN(C(=O)CN1CCOCC1=O)C2	ZINC000615434568	O=C1COCCN1CC(=O)N2CCC2
CN(C)c1cccc2c(S(=O)(=O)NCC(O)=O)cccc12	ZINC000000057279	c2ccc1ccccc1c2
COc2ccc(OC[C@@H](O)CNC1CC(C)(C)NC(C)(C)C1)cc2	ZINC000000189012	C(CNC1CCNCC1)COc2ccccc2
CS(=O)(=O)O[C@@H]2C[C@@H](n1cc(F)c(=O)[nH]c1=O)O[C@@H]2CO	ZINC000005080659	O=c2ccn(C1CCCO1)c(=O)[nH]2
Cn3c(=O)n(C)c2nc1[nH][nH]ccn1c2c3=O	ZINC000000285928	O=c3[nH]c(=O)c2c(nc1[nH][nH]ccn12)[nH]3
CN(CCO)C(=O)N[C@@H]2CCN(c1cnn(C)c1)C2=O	ZINC000332410569	O=C1CCCN1c2cn[nH]c2
N[C@@H](CC[C@@H](N)C(O)=O)C(O)=O	ZINC000001603015	nonring
CSC[C@@H](O)Cn2ncc1ccccc1c2=O	ZINC000000069811	O=c1[nH]ncc2ccccc12
NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O	ZINC000002390911	nonring
Nc2ccc(S(=O)(=O)c1ccc(N)cn1)cc2	ZINC000000002008	O=S(=O)(c1ccccc1)c2ccccn2
Cc1c(C(N)=O)sc2[nH]cnc(=O)c12	ZINC000000149878	O=c1nc[nH]c2sccc12
Cn1[nH]cnc1=NC(=O)N[C@H]2C[C@@H](C(N)=O)C2	ZINC000650096630	O=C(NC1CCC1)N=c2nc[nH][nH]2
COc1ccc(CC(=O)NC(C)(CO)CO)cc1	ZINC000000281003	c1ccccc1
CCOC(=O)Cn2c(=O)n(C)c1ccccc1c2=O	ZINC000000048703	O=c2[nH]c(=O)c1ccccc1[nH]2
BrC=Cc1c[nH]c(=O)[nH]c1=O	ZINC000000057050	O=c1cc[nH]c(=O)[nH]1
COCC(=O)N1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC1	ZINC000069151194	C1CNCCN1
CN(CCNC(C)=O)C(=O)C(=O)N1CCNC(=O)C1	ZINC000581012303	O=C1CNCCN1
O=CNc2ccc(S(=O)(=O)c1ccc(NC=O)cc1)cc2	ZINC000000001295	O=S(=O)(c1ccccc1)c2ccccc2
CC3=C(C(N)=O)[C@@H](c2ccc1OCOc1c2)NC(=O)N3	ZINC000000071765	O=C3NC=CC(c2ccc1OCOc1c2)N3
COc2ccc(CNS(=O)(=O)c1ccc(F)cc1)cc2	ZINC000000029460	O=S(=O)(NCc1ccccc1)c2ccccc2
COC(=O)c3ccc2nc(NC(=O)CN1C(=O)CCC1=O)sc2c3	ZINC000000033070	O=C(CN1C(=O)CCC1=O)Nc3nc2ccccc2s3
Cn2c(N1CCNCC1)cc(=O)n(C)c2=O	ZINC000021365283	O=c2cc(N1CCNCC1)[nH]c(=O)[nH]2
OCCn2ncc3c(SCC(=O)Nc1ccccc1)ncnc23	ZINC000000082066	O=C(CSc1ncnc2[nH]ncc12)Nc3ccccc3
CCOC(=O)C(CO)(NC(C)=O)C(=O)OCC	ZINC000001670363	nonring
O=C(N2CCN(c1ncccn1)CC2)c3ccc(=O)[nH]n3	ZINC000000544373	O=C(N2CCN(c1ncccn1)CC2)c3ccc(=O)[nH]n3
Cc1noc(C)c1COc2cccc(C(O)=O)c2	ZINC000000087844	C(Oc1ccccc1)c2cnoc2
CC[C@@H]2C[C@@](C)(C(=O)Nc1ccc(S(N)(=O)=O)cc1)OC2=O	ZINC000000174623	O=C2CCC(C(=O)Nc1ccccc1)O2
Oc1ccccc1C(=O)Nn2cnnc2	ZINC000000039807	O=C(Nn1cnnc1)c2ccccc2
C[C@@H]1COCCN1CC[N@]2CC[C@@H](CO)[C@@H](O)C2	ZINC000583958560	C2CCN(CCN1CCOCC1)CC2
N[C@@H]2CN(C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1)CC[C@H]2F	ZINC000662993593	O=C2CN(C(=O)C(=O)N1CCCCC1)CCN2
COc2ccc([C@@H](CN(=O)=O)c1c(N)n(C)c(=O)n(C)c1=O)cc2	ZINC000000101881	O=c2[nH]cc(Cc1ccccc1)c(=O)[nH]2
CC2=NN(C(C)=O)[C@](O)(c1cccnc1)C2	ZINC000000079222	C1C=NNC1c2cccnc2
COCC[C@@]1(NCCNS(C)(=O)=O)CCOC1	ZINC000447404177	C1CCOC1
COc2ccc(NC(=O)Cn1nnc(C(N)=O)c1N)c(OC)c2	ZINC000000429086	O=C(Cn1ccnn1)Nc2ccccc2
COCC(=O)NC2CN(S(=O)(=O)c1cnnn1C)C2	ZINC000330122895	O=S(=O)(N1CCC1)c2cnn[nH]2
COC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N1	ZINC000011612876	O=C1CCCCCNC(=O)CCCN1
CCOc2ccc(OCC)c(S(=O)(=O)n1ccnc1C)c2	ZINC000000053226	O=S(=O)(c1ccccc1)n2ccnc2
CNS(=O)(=O)NCC(=O)NCCN1CCOCC1	ZINC000062433859	C1COCCN1
OC[C@@H]1OCOC(CO)(CO)[C@@H]1O	ZINC000001757211	C1COCOC1
NS(=O)(=O)N2CCN([C@@H]1COC[C@@H]1O)CC2	ZINC000340293646	C2CN(C1CCOC1)CCN2
O=C2C[C@H](Nc1cc(=O)[nH]c(=O)[nH]1)C(=O)N2Cc3ccccc3	ZINC000000527668	O=C2CC(Nc1cc(=O)[nH]c(=O)[nH]1)C(=O)N2Cc3ccccc3
CN2CCN(CC(=O)Nc1cn(C)c(=O)n(C)c1=O)CC2=O	ZINC000584062105	O=C2CN(CC(=O)Nc1c[nH]c(=O)[nH]c1=O)CCN2
NCCN1CCN(CC(=O)NC(N)=O)CC1	ZINC000037039580	C1CNCCN1
OC[C@H]1NC[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000139539996	C1CCCNCC1
C[C@](Cc1ccccc1)(NC(=O)CN)c2ccccc2	ZINC000000004153	C(Cc1ccccc1)c2ccccc2
NNC2=N[C@H]1CS(=O)(=O)C[C@@H]1S2	ZINC000005613089	O=S2(=O)CC1SC=NC1C2
CO[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1O	ZINC000395386232	C1CCNC1
CNC(=S)NNC(=N)c1ccccn1	ZINC000000105945	c1ccncc1
COc2ccc(n1c(N)c(C=O)c(=O)[nH]c1=S)cc2	ZINC000000337996	O=c2ccn(c1ccccc1)c(=S)[nH]2
CN(C)C=c2[nH]c(=S)n(CNc1ccc(C(C)=O)cc1)c2=O	ZINC000000102282	C=c2[nH]c(=S)n(CNc1ccccc1)c2=O
OC[C@H]3O[C@@H](Oc2ccc1ccc(=O)oc1c2)[C@H](O)[C@@H](O)[C@@H]3O	ZINC000001559620	O=c3ccc2ccc(OC1CCCCO1)cc2o3
OCCN(CCO)C1=CC(=O)OC12CCCCC2	ZINC000000050883	O=C2OC1(CCCCC1)C=C2
COc2ccc(CN1CCC(O)CC1)c(OC)c2	ZINC000000042941	C2CCN(Cc1ccccc1)CC2
COc2cc(CN1CCC(O)CC1)cc(OC)c2	ZINC000000042942	C2CCN(Cc1ccccc1)CC2
CC(=O)Nc1c(C#N)ncn1[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O	ZINC000005500741	C2COC(n1ccnc1)C2
NCCN2CCN1[C@H](CNC(=O)C1=O)C2	ZINC000572121889	O=C2NCC1CNCCN1C2=O
NS(=O)(=O)N1CCN[C@H](CCO)C1	ZINC000616634960	C1CNCCN1
COC(=O)[C@@H](CO)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000351967928	C1CNCCN1
C[C@@H]3CN(C(=O)C(=O)N2CCC([N@]1CC[C@H](O)C1)CC2)CC(=O)N3	ZINC000658904075	O=C3CN(C(=O)C(=O)N2CCC(N1CCCC1)CC2)CCN3
CNCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O	ZINC000013800513	c1ccccc1
C[C@@H]1CNCCN1C(=O)C(=O)N3CC[N@]2CCC[C@@H]2C3	ZINC000332664700	O=C(N1CCNCC1)C(=O)N3CCN2CCCC2C3
COC[C@@H](CO)NC(=O)C(C)(C)NS(C)(=O)=O	ZINC000332511237	nonring
Cc1ccc(S(=O)(=O)N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO)cc1	ZINC000008635198	c1ccccc1
CCCCCCC(=O)N(C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000004546449	nonring
CNC(=O)CN2CCN(C(=O)COC1CNC1)CC2	ZINC000564909016	O=C(COC1CNC1)N2CCNCC2
O=C(N[C@@H]2[C@H]1CNC[C@H]12)c4nc3NCCCn3n4	ZINC000648140110	O=C(NC2C1CNCC12)c4nc3NCCCn3n4
CN1CCOC[C@@H]1CNC(=O)NCCNS(=O)(=O)c2cccnc2	ZINC000624734438	O=C(NCCNS(=O)(=O)c1cccnc1)NCC2COCCN2
CCOc2nc(C#N)nc(N1CCOCC1)n2	ZINC000000141449	C2CN(c1ncncn1)CCO2
Cn2cnc(S(=O)(=O)NCC(=O)N1CCN(CC(N)=O)CC1)c2	ZINC000348659658	O=C(CNS(=O)(=O)c1c[nH]cn1)N2CCNCC2
COc2cc(c1nnc(SCC(N)=O)n1C)cc(OC)c2OC	ZINC000000421553	c2ccc(c1nnc[nH]1)cc2
C[C@@H](NC(=O)C1CC1)C(=O)N3CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC3	ZINC000032778308	O=C(CNC(=O)C1CC1)N3CCN(S(=O)(=O)c2cc[nH]c2)CC3
CC(=O)NC2=NN(C(C)=O)[C@@H](c1c(C)n(C)c(=O)n(C)c1=O)S2	ZINC000000201283	O=c2[nH]cc(C1NN=CS1)c(=O)[nH]2
CNS(=O)(=O)[C@@H]2CCCN(C(=O)C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1)C2	ZINC000625491857	O=C(N1CCCCC1)C(=O)N2CCOCC2
Nc3nc(N)nc(n2c(=O)c1ccccc1c2=O)n3	ZINC000000406802	O=c2n(c1ncncn1)c(=O)c3ccccc23
CNC(=O)CN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1	ZINC000646668294	C1CNCCN1
CCC(C)(C)NS(=O)(=O)c2ccc(S(=O)(=O)NC1CC1)cc2	ZINC000000414065	O=S(=O)(NC1CC1)c2ccccc2
CO[C@@](C)(CO)CNC(=O)CN1CCCS1(=O)=O	ZINC000655209878	O=S1(=O)CCCN1
Cc2cc(OCC(=O)Nc1cnn(CCCC(O)=O)c1)ccc2N(=O)=O	ZINC000001426818	O=C(COc1ccccc1)Nc2cn[nH]c2
NC(=O)Cc1ccc(NC(=O)CCC(O)=O)cc1	ZINC000000051685	c1ccccc1
NS(=O)(=O)c2ccc(NC(=S)NC=c1c(=O)[nH]c(=O)[nH]c1=O)cc2	ZINC000001637596	O=c2[nH]c(=O)c(=CNC(=S)Nc1ccccc1)c(=O)[nH]2
Cn2c(N[C@@H]1C[C@H]1CO)c(C#N)c(=O)n(C)c2=O	ZINC000577578900	O=c2cc(NC1CC1)[nH]c(=O)[nH]2
Nc1nnnn1CC(=O)OCC(=O)c2ccccc2	ZINC000000051939	O=C(Cn1cnnn1)OCC(=O)c2ccccc2
CN(C)[C@@H]2CCN(C(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1)C2	ZINC000637143411	O=C(NC1CNC1)C(=O)N2CCCC2
C[C@H]2CN(NS(=O)(=O)c1ccc(NC(C)=O)cc1)CCS2(=O)=O	ZINC000000626151	O=S2(=O)CCN(NS(=O)(=O)c1ccccc1)CC2
CN(C)S(=O)(=O)NCC(=O)N1CC(=O)N(C)C(=O)C1	ZINC000614545098	O=C1CNCC(=O)N1
O=c2[nH]cc(N=Cc1cccnc1)c(=O)[nH]2	ZINC000000186985	O=c2[nH]cc(N=Cc1cccnc1)c(=O)[nH]2
CC[C@@H]1NCC[C@H]1NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2	ZINC000624394389	O=S(=O)(NC1CCNC1)N2CCNCC2
CN(C)c3nc2[n+]([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)cn(C)c2c(=O)[nH]3	ZINC000033753203	O=c2[nH]cnc3[n+](C1CCCO1)c[nH]c23
Nc1nnnn1Cc3nc2ccccc2[nH]3	ZINC000000052017	C(c2nc1ccccc1[nH]2)n3cnnn3
CC(C)[C@H]2CN(C(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1)CCN2	ZINC000643550071	O=C(N1CCNCC1)C(=O)N2CCOCC2
CCNC(=O)N2CCN(c1ccnc(C)n1)CC2	ZINC000000013139	C2CN(c1ccncn1)CCN2
CN(CC(=O)NC(C)(C)C)C(=O)CNC(N)=O	ZINC000332426787	nonring
NC(=O)NC(=O)CCN1CCN(CC(O)=O)CC1	ZINC000035680549	C1CNCCN1
NCc1cn(CC(=O)NC(N)=O)nn1	ZINC000050224558	c1c[nH]nn1
OC(=O)c1nccnc1C(=O)Nc2ccc(Cl)cn2	ZINC000000242533	O=C(Nc1ccccn1)c2cnccn2
CS(=O)(=O)N2CCN(S(=O)(=O)N[C@@H]1C[C@H](N)C1)CC2	ZINC000658375471	O=S(=O)(NC1CCC1)N2CCNCC2
C[C@@H]3NCCN(C(=O)c2nc1NCCCn1n2)[C@@H]3C	ZINC000648127923	O=C(N1CCNCC1)c3nc2NCCCn2n3
OC[C@H]1C2OC([C@@H]1CO)[C@H](CO)[C@H]2CO	ZINC000003843455	C1CC2CCC1O2
COCCCS(=O)(=O)NCC(=O)N[C@@H]1CC(=O)N(C)C1=O	ZINC000584199120	O=C1CCC(=O)N1
COc1ccccc1C(=O)Nc2ccc(S(N)(=O)=O)cc2	ZINC000000035618	O=C(Nc1ccccc1)c2ccccc2
CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)CN1CC(=O)NC1=O	ZINC000497122627	O=C1CNC(=O)N1
COC(=O)CCNC(=O)C[N@]1C[C@H](O)[C@H](O)C1	ZINC000331303389	C1CCNC1
Nc2nc(N)c1nc(CO)cnc1n2	ZINC000000039586	c2cnc1ncncc1n2
COC(=O)c3cccc(NCn2c(=O)c1ccccc1c2=O)c3	ZINC000000047669	O=c2n(CNc1ccccc1)c(=O)c3ccccc23
CSc2nc(C)cc(n1ccc(=O)[nH]c1=O)n2	ZINC000000118973	O=c2ccn(c1ccncn1)c(=O)[nH]2
CCOC(=O)[C@@H](Sc1n[nH]c(=O)[nH]c1=O)c2ccccc2	ZINC000000116811	O=c2[nH]nc(SCc1ccccc1)c(=O)[nH]2
O=C3C[C@@H](c2ccc(S(=O)(=O)N1CCOCC1)cc2)CN3	ZINC000000116813	O=C3CC(c2ccc(S(=O)(=O)N1CCOCC1)cc2)CN3
Cc2ccc(NC1N(N)C(=O)NC1=O)cc2	ZINC000000038199	O=C2NC(Nc1ccccc1)C(=O)N2
Cc2ccc(S(=O)(=O)NN1CCS(=O)(=O)CC1)cc2	ZINC000000405386	O=S2(=O)CCN(NS(=O)(=O)c1ccccc1)CC2
O=C1CSCC(=O)N1N2CCOCC2	ZINC000000405387	O=C1CSCC(=O)N1N2CCOCC2
CN(C)S(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1	ZINC000000556208	c1ccccc1
CCOC(=O)C(=O)Nn1cnnc1	ZINC000002310235	c1nnc[nH]1
O=C(CCCc1ccccc1)N2CSC[C@@H]2C(=O)N3CCCC3	ZINC000000010447	O=C(CCCc1ccccc1)N2CSCC2C(=O)N3CCCC3
CN2[C@H](CC(=O)N1CCNCC1)C(=O)N(C)C2=O	ZINC000004298810	O=C2NC(CC(=O)N1CCNCC1)C(=O)N2
CC2(C)S[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N1[C@@H]2C(=O)NCCO	ZINC000257275768	O=C2CCCCC1SCCN12
COc1ccccc1CC(=O)NCCc2ccc(S(N)(=O)=O)cc2	ZINC000000455859	O=C(Cc1ccccc1)NCCc2ccccc2
NCCC(=O)NC[C@@H]1CCCCN1C(=O)c3nc2NCCCn2n3	ZINC000648128007	O=C(N1CCCCC1)c3nc2NCCCn2n3
CCN(C1CN(C(=O)CS(=O)(=O)NC)C1)C(=O)CS(=O)(=O)NC	ZINC000477178506	C1CNC1
CS(=O)(=O)NCCNC(=O)C1=NNC(=O)CC1	ZINC000035207791	O=C1CCC=NN1
NC(=O)c2nnn3c1ccccc1c(=O)[nH]c23	ZINC000000256572	O=c2[nH]c1cnnn1c3ccccc23
OC[C@H]1O[C@@H](S)[C@H](O)[C@H](O)[C@H]1O	ZINC000000403608	C1CCOCC1
Cn1cnc2c(=O)n(C)c(=O)n(C)c12	ZINC000000403604	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CCOC(=O)C[C@@H](O)C(=O)NC[C@@]2(CO)COCC1(CCC1)N2C	ZINC000600231259	C1CC2(C1)COCCN2
CCOC[C@@H](O)CN1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1	ZINC000665014522	C1CNCCN1
CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCCO	ZINC000332466042	nonring
OC[C@@H](O)CNCCN1CCOCC1	ZINC000037852207	C1COCCN1
CC(C)NS(=O)(=O)CCNS(N)(=O)=O	ZINC000332466048	nonring
O=C(CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)N3CCNCC3	ZINC000652695610	O=C(CNC(=O)C(=O)NC1CC2CCC1O2)N3CCNCC3
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(O)=O	ZINC000001576490	nonring
CN1[C@@H](NNC(N)=S)[C@@H](NNC(N)=S)N(C)C1=O	ZINC000012416632	O=C1NCCN1
OC2(C(=O)NCCC(=O)Nc1ccncc1)CNC2	ZINC000662708381	O=C(CCNC(=O)C1CNC1)Nc2ccncc2
COC(=O)/C=C/C(=O)NC[C@@H](NC(=O)CN)C(O)=O	ZINC000006482118	nonring
COC(=O)/C=C/C(=O)NC[C@@H](N)C(=O)NCC(O)=O	ZINC000006482110	nonring
NN1C(=O)CSC1=NC(=S)N/N=C2\SCC(=O)N2N	ZINC000005430553	O=C2CSC(=NNC(=S)N=C1NC(=O)CS1)N2
CO[C@@H]3[C@H]([C@H](O)CO)O[C@H]2OC1(CCCCC1)O[C@H]23	ZINC000000395600	C1CCC3(CC1)OC2CCOC2O3
OC(=Cc1nc(C#N)c(C#N)nc1CC(=O)c2ccncc2)c3ccncc3	ZINC000001588972	O=C(Cc1nccnc1C=Cc2ccncc2)c3ccncc3
O=S(=O)(NCCNS(=O)(=O)c1cccnc1)N2CCO[C@H](C#N)C2	ZINC000409522819	O=S(=O)(NCCNS(=O)(=O)c1cccnc1)N2CCOCC2
C[C@@H]3CN(C(=O)CN2C(=O)N[C@@](C)(C1CC1)C2=O)C[C@@H](C(N)=O)O3	ZINC000268531424	O=C(CN2C(=O)NC(C1CC1)C2=O)N3CCOCC3
CCOC(=O)c3nnn(c2nc(OC)nc(N1CCCC1)n2)c3C	ZINC000000108998	C3CCN(c2ncnc(n1ccnn1)n2)C3
NC(=O)CN2CC(=C1C(=O)CN(CC(N)=O)C1=O)CC2=O	ZINC000005566535	O=C2CC(=C1C(=O)CNC1=O)CN2
O=[S@@](N1CCOCC1)c2ccc(N(=O)=O)cc2	ZINC000000046536	O=S(N1CCOCC1)c2ccccc2
CN(C)S(=O)(=O)NCCNC(=O)CNC(=O)C(C)(C)C	ZINC000332431129	nonring
NCCCC(=O)NCC(=O)NC[C@@H](NS(=O)(=O)c1ccccc1)C(O)=O	ZINC000027997119	c1ccccc1
NC(=O)C(=O)N2CCN(C(=O)CN1CCOCC1)CC2	ZINC000635169119	O=C(CN1CCOCC1)N2CCNCC2
CS(=O)(=O)OCC#CCOS(C)(=O)=O	ZINC000001674090	nonring
Nc2ccn([C@@H]1S[C@@H](CO)[C@H](O)[C@H]1O)c(=O)n2	ZINC000003981946	O=c1ncccn1C2CCCS2
CNc2nc1n(C)c(=O)[nH]c(=O)c1n2CC=C	ZINC000000079502	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CC(C)n1c(N(C)C)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000322270	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Cc1cccc(C)c1n2nnnc2S(C)(=O)=O	ZINC000000110557	c2ccc(n1cnnn1)cc2
CCOC(=O)C[C@@H](O)C(=O)N2CCN(S(=O)(=O)C1CC1)CC2	ZINC000600229140	O=S(=O)(C1CC1)N2CCNCC2
COCCCNC(=O)[C@@H](C)N2CCN(C(=O)C(=O)NC1CNC1)CC2	ZINC000569560083	O=C(NC1CNC1)C(=O)N2CCNCC2
COc1ccccc1c2nc(N)nc(N)n2	ZINC000000011428	c2ccc(c1ncncn1)cc2
NC(=O)CCn1c(CC(N)=O)nc2ccccc12	ZINC000000275081	c2ccc1[nH]cnc1c2
C[N@]2CCO[C@@H](C(=O)NCCNC(=O)c1cnccn1)C2	ZINC000530575953	O=C(NCCNC(=O)c1cnccn1)C2CNCCO2
CS(=O)(=O)N2CCN(C(=O)Cc1ccccc1)CC2	ZINC000000115697	O=C(Cc1ccccc1)N2CCNCC2
COC(=O)c2ccc(\C=c1\c(C(=O)OC)c(C)n(CC=C)c1=O)cc2	ZINC000000068755	O=c1[nH]ccc1=Cc2ccccc2
CCOc3ccc(c2nnn(CC(=O)N1CCOCC1)n2)cc3	ZINC000000418526	O=C(Cn2nnc(c1ccccc1)n2)N3CCOCC3
OC(=O)CSc3nnc(c2ccc(S(=O)(=O)N1CCCC1)cc2)o3	ZINC000000901944	O=S(=O)(N1CCCC1)c3ccc(c2nnco2)cc3
CS(=O)(=O)N2CC[C@@H](NC(=O)C(=O)NCC1(N)CCC1)C2	ZINC000565123796	O=C(NCC1CCC1)C(=O)NC2CCNC2
NC(=O)CN(CC(N)=O)C(=O)C1=NNC(=O)CC1	ZINC000061809618	O=C1CCC=NN1
C[C@H](NC(=O)CN)C(=O)NCC(O)=O	ZINC000002575114	nonring
CSCC[C@H](NC(=O)CN)C(=O)NCC(O)=O	ZINC000002575117	nonring
Nc2cc(N1CCSCC1)nc(=N)n2O	ZINC000000392494	N=c2nc(N1CCSCC1)cc[nH]2
CCN(CC)c2nc(N(CC)CC)nc(c1nn[nH]n1)n2	ZINC000000098823	c2ncnc(c1nn[nH]n1)n2
OC2(C(=O)NCCN1CCCS1(=O)=O)CNC2	ZINC000662549551	O=C(NCCN1CCCS1(=O)=O)C2CNC2
COc2nc(N)nc(N1CCCCC1)n2	ZINC000000098827	C2CCN(c1ncncn1)CC2
COc2ccc(NS(=O)(=O)Cc1ccccc1)c(OC)c2	ZINC000000047066	O=S(=O)(Cc1ccccc1)Nc2ccccc2
CCOc1ccccc1NC(=O)CCC(O)=O	ZINC000000064855	c1ccccc1
NC(=O)[C@@H](CO)NC(=O)[C@H]1CCCN1	ZINC000108261470	C1CCNC1
NC(=O)C([C@@H]1CCS(=O)(=O)C1)C(N)=O	ZINC000004017414	O=S1(=O)CCCC1
Nc3nc2n([C@H]1C[C@@H](CO)C=C1)cnc2c(=O)[nH]3	ZINC000000004093	O=c2[nH]cnc3n(C1CCC=C1)cnc23
Nc3nc1c(CCc2c1non2=O)s3	ZINC000000194983	O=n1onc3c1CCc2scnc23
CO[C@@](C)(CO)CNC(=O)c1cnn[nH]1	ZINC000655209685	c1c[nH]nn1
N[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCO1	ZINC000037481818	C1CCOC1
O=c3[nH]nc4nc(N1CCCCC1)nc(N2CCCCC2)n34	ZINC000000032938	O=c3[nH]nc4nc(N1CCCCC1)nc(N2CCCCC2)n34
CO[C@@](C)(CO)CNC(=O)CN(C)C(C)=O	ZINC000655209689	nonring
NCC(=O)NCC(=O)N1CCNC(=O)C1	ZINC000037481811	O=C1CNCCN1
N[C@H](CC(N)=O)C(=O)N1CCNC(=O)C1	ZINC000037481812	O=C1CNCCN1
COC(=O)[C@@H]2CN(Cc1cn(C)c(=O)n(C)c1=O)C[C@@H](C)O2	ZINC000600198018	O=c2[nH]cc(CN1CCOCC1)c(=O)[nH]2
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c2cc(N(=O)=O)ccc2OC	ZINC000000042033	O=C2NC=CC(c1ccccc1)N2
NCCNC(=O)C(=O)N1CCNC(=O)C1	ZINC000037242862	O=C1CNCCN1
CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]1CCNCC1(F)F	ZINC000424514658	C1CCNCC1
CC(=O)O[C@@H]1[C@@H](OC(C)=O)N(N(=O)=O)CCN1N(=O)=O	ZINC000003156948	C1CNCCN1
CNS(=O)(=O)NCC(=O)N1CCN(CCN(C)C)C(=O)C1	ZINC000652733440	O=C1CNCCN1
CN(C)C(=O)CN(CC#N)S(=O)(=O)N(C)C	ZINC000332481597	nonring
CNS(=O)(=O)NCC(=O)NCC(=O)NCC1CC1	ZINC000569254172	C1CC1
Cn3c(=O)n(C)c2ncc(N1CCOCC1)nc2c3=O	ZINC000001634921	O=c3[nH]c(=O)c2nc(N1CCOCC1)cnc2[nH]3
O=C(NCc1c[nH]nn1)[C@]23CNC[C@H]2COC3	ZINC000653080536	O=C(NCc1c[nH]nn1)C23CNCC2COC3
Nc2nccc(Nc1ccc(S(N)(=O)=O)cc1)n2	ZINC000000056465	N(c1ccccc1)c2ccncn2
CCCCNC(=S)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000005706920	C1CCOCC1
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCN2CCOCC2	ZINC000013582032	O=c2[nH]cc(S(=O)(=O)NCCN1CCOCC1)c(=O)[nH]2
N[C@@H](CN1CCS(=O)CC1)C(N)=O	ZINC000045422157	O=S1CCNCC1
Nc1nonc1C(=O)NC[C@@H]2CCCO2	ZINC000000310270	O=C(NCC1CCCO1)c2cnon2
Cc3ccc(N2C(=O)N[C@@H]1CCN(C(=O)COCC(O)=O)[C@@H]1C2=O)cc3	ZINC000004236392	O=C2NC1CCNC1C(=O)N2c3ccccc3
C[C@@H](NS(=O)(=O)c1ccccc1)C(N)=O	ZINC000000610239	c1ccccc1
COc2cc(N1CCOCC1)ccc2\C=N\NC(N)=S	ZINC000000034068	C2CN(c1ccccc1)CCO2
O=C(Cn2nnc(c1cccnc1)n2)NC[C@@H]3CCCO3	ZINC000000417052	O=C(Cn2nnc(c1cccnc1)n2)NCC3CCCO3
CN2CCN(C(=O)CN1CCNCC1=O)CC2=O	ZINC000158931526	O=C2CN(C(=O)CN1CCNCC1=O)CCN2
C[C@@]3(CNC(=O)C(=O)N2CCN(C(=O)Cn1cnnn1)CC2)CCCO3	ZINC000583339880	O=C(Cn1cnnn1)N3CCN(C(=O)C(=O)NCC2CCCO2)CC3
O=C(Nc1nc[nH]n1)c3cccc(C(=O)Nc2nc[nH]n2)c3	ZINC000000366508	O=C(Nc1nc[nH]n1)c3cccc(C(=O)Nc2nc[nH]n2)c3
CN(CCO)C(=O)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12	ZINC000257289609	O=C2CCCCC1SCCN12
CCS(=O)(=O)NCCS(=O)(=O)N2CCN(C(=O)N1CCNCC1)CC2	ZINC000624377136	O=C(N1CCNCC1)N2CCNCC2
CO[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C[C@@H]23	ZINC000658525201	O=C(N1CCOCC1)C(=O)N3CC2CCS(=O)(=O)C2C3
CC(C)(CNC(=O)[C@]1(O)CCCNC1)NS(C)(=O)=O	ZINC000662594631	C1CCNCC1
N[C@@H]2NCN([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)N2	ZINC000167231937	O=C1NCNCN1C2CCCO2
CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC	ZINC000616781705	C1CCCCC1
CS(=O)(=O)N2CCN(CCNC(=O)NCC[C@@]1(O)CCCOC1)CC2	ZINC000650809311	O=C(NCCC1CCCOC1)NCCN2CCNCC2
Nc2nc(=O)n([C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)c3ccccc23	ZINC000004990795	O=c2ncc1ccccc1n2C3CCCO3
CN2CCN(C(=O)CN1CCN(C(=O)CO)CC1)CC2	ZINC000093216830	O=C(CN1CCNCC1)N2CCNCC2
CC(C)[C@@H](NC(C)=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	ZINC000142363868	C1CNCCN1
Cn2c(=O)n(CC(=O)N1CC(NS(C)(=O)=O)C1)c(=O)c2=O	ZINC000628799561	O=C(Cn1c(=O)[nH]c(=O)c1=O)N2CCC2
O=C(NCCCn2nc1CCCCn1c2=O)[C@]34CNC[C@H]3COC4	ZINC000653074117	O=C(NCCCn2nc1CCCCn1c2=O)C34CNCC3COC4
OC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000000074665	c1ccccc1
O[C@H]1CNC[C@H]1CNC(=O)c2nc[nH]n2	ZINC000647039968	O=C(NCC1CCNC1)c2nc[nH]n2
Cn1[nH]cnc1=NC(=O)N3CCN(Cc2nnc[nH]2)CC3	ZINC000650096637	O=C(N=c1nc[nH][nH]1)N3CCN(Cc2nnc[nH]2)CC3
CN(C)S(=O)(=O)N1C[C@@H](O)[C@H](NS(C)(=O)=O)C1	ZINC000257253570	C1CCNC1
CNS(=O)(=O)[C@@H]1CCC[N@@](CCC(=O)NC(N)=O)C1	ZINC000533381325	C1CCNCC1
COC(=O)c2ccc(S(=O)(=O)NCc1ccco1)n2C	ZINC000000119786	O=S(=O)(NCc1ccco1)c2ccc[nH]2
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n2ccc(N)nc2=O	ZINC000003816981	O=c1ncccn1C2CCCO2
O=C(CN[C@@H]1CS(=O)(=O)C[C@@H]1N2CCOCC2)NCC3CC3	ZINC000533557443	O=C(CNC1CS(=O)(=O)CC1N2CCOCC2)NCC3CC3
COc1cccc(\C=N\NC(N)=S)c1O	ZINC000000137787	c1ccccc1
C=CCNC(=O)CN2CCN(C(=O)C(=O)N1CCNC(=O)C1)CC2	ZINC000459835456	O=C2CN(C(=O)C(=O)N1CCNCC1)CCN2
Cn3c(N)c(n2[nH]c(=O)n(c1ccccc1)c2=O)c(=O)n(C)c3=O	ZINC000001566722	O=c3[nH]cc(n2[nH]c(=O)n(c1ccccc1)c2=O)c(=O)[nH]3
Clc1ccccc1S(=O)(=O)Nn2cnnc2	ZINC000000266620	O=S(=O)(Nn1cnnc1)c2ccccc2
CN(C)C(=O)CN2C(=O)[C@@H]1CC=C(Cl)C[C@H]1C2=O	ZINC000000110761	O=C2NC(=O)C1CC=CCC12
CC2[C@H](C(=O)N1CC(O)(CO)C1)[C@H]2C(=O)N3CC(O)(CO)C3	ZINC000615438193	O=C(C1CC1C(=O)N2CCC2)N3CCC3
Cc1[nH]c(=O)[nH]c(=O)c1NS(C)(=O)=O	ZINC000003667987	O=c1cc[nH]c(=O)[nH]1
OC(=O)CS(=O)(=O)CC(=O)NCc1ccccc1Cl	ZINC000002561430	c1ccccc1
CCCNC(=O)NC(=O)CN(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000016374697	O=S1(=O)CCCC1
CN(C)c2nc(N)nc(CN(C)S(=O)(=O)c1ccccc1)n2	ZINC000000039247	O=S(=O)(NCc1ncncn1)c2ccccc2
COC(=O)c1cc(=O)cc(C(=O)OC)o1	ZINC000000353597	O=c1ccocc1
C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)C(=O)NC(N)=O	ZINC000038084007	O=S1(=O)CCCC1
CCN2CCN(C(=O)C(=O)NCCN1CCNCC1)CC2=O	ZINC000419860640	O=C2CN(C(=O)C(=O)NCCN1CCNCC1)CCN2
CNS(=O)(=O)NC2CCN(C[C@@H](O)C[N@]1C[C@H](C)O[C@H](C)C1)CC2	ZINC000463190575	C2CCN(CCCN1CCOCC1)CC2
NC(=O)CN2CCN(C(=O)NC[C@@H]1COCCN1)CC2=O	ZINC000529391367	O=C2CN(C(=O)NCC1COCCN1)CCN2
NS(=O)(=O)c2ccc(CNC(=O)Cc1ccccc1N(=O)=O)cc2	ZINC000000288082	O=C(Cc1ccccc1)NCc2ccccc2
Cc2ccc(S(=O)(=O)NCCN1CCNC1=O)cc2	ZINC000000146332	O=C1NCCN1CCNS(=O)(=O)c2ccccc2
CN(C)c1cc(=O)n(C)c(=O)[nH]1	ZINC000000330406	O=c1cc[nH]c(=O)[nH]1
O=C3[C@@H]2[C@H]1C[C@H](C=C1)[C@@H]2C(=O)N3n4cnnc4	ZINC000000510436	O=C3C2C1CC(C=C1)C2C(=O)N3n4cnnc4
NC(=O)c2ccc(=O)n([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c2	ZINC000004900215	O=c1ccccn1C2CCCO2
CC(CO)(CO)COCn1cnc2c(=O)[nH]c(N)nc12	ZINC000003600433	O=c1[nH]cnc2[nH]cnc12
O=C3CC[C@@H](N(=O)=O)[C@@H](c2ccc1OCOc1c2)N3	ZINC000000103388	O=C3CCCC(c2ccc1OCOc1c2)N3
CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCCCNC1=O	ZINC000646956723	O=C1CCCCCN1
Cn1cnc(N)c1S(N)(=O)=O	ZINC000001670431	c1c[nH]cn1
OC[C@H]1O[C@@H](NC(=O)NC(=N)NC=O)[C@@H](O)[C@H]1O	ZINC000005502189	C1CCOC1
CNC(=O)N[C@@H]1NC(=O)N(C)C1=O	ZINC000002025405	O=C1CNC(=O)N1
C[C@@]2(C(=O)N1CCN(CC(N)=O)CC1)CNC(=O)C2	ZINC000363775374	O=C2CC(C(=O)N1CCNCC1)CN2
O=S(=O)(N1CCOCC1)c3ccc2OCCOc2c3	ZINC000000127386	O=S(=O)(N1CCOCC1)c3ccc2OCCOc2c3
COc2ccc(c1nc(N)nc(N)n1)cc2	ZINC000000004396	c2ccc(c1ncncn1)cc2
O=C(CN2CCN(C(=O)[C@H]1CNCCO1)CC2)NC3CC3	ZINC000188038834	O=C(CN2CCN(C(=O)C1CNCCO1)CC2)NC3CC3
COc2ccc1[C@@H](NC(N)=O)OC(=O)c1c2OC	ZINC000000053246	O=C1OCc2ccccc12
Cn1nc(C(C)(C)C)cc1C(=O)NN2CCOCC2	ZINC000000147068	O=C(NN1CCOCC1)c2ccn[nH]2
CC(C)NC[C@@H](O)c1ccc(O)c(NS(C)(=O)=O)c1	ZINC000000000720	c1ccccc1
CN3[C@@H]2N=C(NCCN1CCOCC1)N(C)[C@@H]2C(=O)N(C)C3=O	ZINC000006792391	O=C3NC2N=C(NCCN1CCOCC1)NC2C(=O)N3
Cn2c(=O)n(C)c1ncc(=O)[nH]c1c2=O	ZINC000000402058	O=c2cnc1[nH]c(=O)[nH]c(=O)c1[nH]2
CCN(CC)CC(=O)N2CCN(C(=O)Cc1cnnn1C)CC2	ZINC000668234030	O=C(Cc1cnn[nH]1)N2CCNCC2
CCOC(=O)CN(C)C(=O)CN1CCC[C@@H](S(N)(=O)=O)C1	ZINC000370262399	C1CCNCC1
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c3nc2NCCCn2n3	ZINC000643679887	O=C(CNC(=O)c2nc1NCCCn1n2)N3CCCC3
COC(=O)c1ccccc1S(N)(=O)=O	ZINC000000056588	c1ccccc1
CCN3C(=O)[C@@H]2CN(C[C@@H]1CNCCO1)CCN2C3=O	ZINC000662259630	O=C3NC(=O)N2CCN(CC1CNCCO1)CC23
Clc2ccc(OCC(=O)NC[C@@H]1CCCO1)c(Cl)c2	ZINC000000037574	O=C(COc1ccccc1)NCC2CCCO2
Cc1c(CCO)c(=O)nc2SCCn12	ZINC000000155662	O=c2ccn1CCSc1n2
NC(=O)CCP(=O)(CCC(N)=O)CCC(N)=O	ZINC000001688613	nonring
CO[C@H]1C[C@H](C(=O)NCC(=O)NCCO)N(S(C)(=O)=O)C1	ZINC000366037940	C1CCNC1
CS(=O)(=O)N2CCN(CCNC(=O)C(=O)N1CCNC(=O)C1)CC2	ZINC000671358420	O=C2CN(C(=O)C(=O)NCCN1CCNCC1)CCN2
CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCOCCO)CCN1	ZINC000643541831	C1CNCCN1
C[C@@H]1CNCCN1C(=O)[C@H]2CCCN(S(N)(=O)=O)C2	ZINC000662403443	O=C(C1CCCNC1)N2CCNCC2
Nc2c(N1CCN(CCO)CC1)nc[nH]c2=O	ZINC000040734517	O=c2cc(N1CCNCC1)nc[nH]2
CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NC(=O)[C@@H]2CN(C)C(=O)N2	ZINC000668247188	O=C2NCC(C(=O)NCCNC(=O)C1CNC(=O)N1)N2
NC(=O)C[C@H](c1ccccc1)c2c[nH]c3c(=O)[nH]c(N)nc23	ZINC000000008393	O=c2[nH]cnc3c(Cc1ccccc1)c[nH]c23
CC(C)(C)S(=O)(=O)C(=C/N1CCOCC1)/C#N	ZINC000000096057	C1COCCN1
CCN(CC)Cc1c(C(=O)OC(C)C)nnn1c2nonc2N	ZINC000000052358	c2cn(c1cnon1)nn2
O[C@@H]2CO[C@](O)(C[N@]1CCC[C@@H]1C(O)=O)[C@@H](O)[C@@H]2O	ZINC000015218630	C2CCC(CN1CCCC1)OC2
CC(=O)NCC(=O)NCC(=O)NC2CCN(CC(=O)N1CCCC1)CC2	ZINC000363439400	O=C(CN1CCCCC1)N2CCCC2
CN3CCN(C(=O)C(=O)N2CCN(Cc1ccco1)CC2)[C@@H](CN)C3	ZINC000643577452	O=C(N1CCNCC1)C(=O)N3CCN(Cc2ccco2)CC3
Cc4ccc(CN1CCCn2c1nc3n(C)c(=O)[nH]c(=O)c23)cc4	ZINC000000044024	O=c4[nH]c(=O)c3n2CCCN(Cc1ccccc1)c2nc3[nH]4
CCN2CCO[C@H](CNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)C2	ZINC000660708569	O=C(NCC1CNCCO1)NC2CCS(=O)(=O)C2
Nc3ccc2nc(SCC(=O)NC1CC1)sc2c3	ZINC000000051919	O=C(CSc2nc1ccccc1s2)NC3CC3
COc2cc(NC(=O)c1nn(C)cc1N(=O)=O)cc(OC)c2OC	ZINC000000037116	O=C(Nc1ccccc1)c2cc[nH]n2
O=C(CSc1nnc2ccccn12)N3CCOCC3	ZINC000000203059	O=C(CSc1nnc2ccccn12)N3CCOCC3
CN(C)CCN1C[C@@H](C(=O)NCC(=O)NCCO)CC1=O	ZINC000448265557	O=C1CCCN1
CCN(CC)S(=O)(=O)c2ccc1[nH]c(=O)c(=O)[nH]c1c2	ZINC000000116788	O=c2[nH]c1ccccc1[nH]c2=O
CCOC(=O)[C@H]1CSCCN1C(=O)CNC(=O)CN	ZINC000037803925	C1CSCCN1
CN(C)C(=O)CN(C)C(=O)C(=O)N1CCNCC1	ZINC000037271918	C1CNCCN1
CN(c1ccc(C(N)=O)cc1)S(C)(=O)=O	ZINC000000382486	c1ccccc1
Nc2n[nH]c3c(c1ccccc1C(F)(F)F)[nH][nH]n23	ZINC000000038202	c3ccc(c1[nH][nH]n2cn[nH]c12)cc3
Nc2n[nH]c3c(c1ccc(F)cc1)[nH][nH]n23	ZINC000000038200	c3ccc(c1[nH][nH]n2cn[nH]c12)cc3
CNC(=O)NC(=O)Cn3nc2CSc1ccccc1n2c3=O	ZINC000000160600	O=c3[nH]nc2CSc1ccccc1n23
Cc2c(CCC(=O)N1CCN(CC(N)=O)C(=O)C1)cnn2C	ZINC000622691483	O=C2CN(C(=O)CCc1cn[nH]c1)CCN2
ClC1=CC[C@@H]3[C@@H](C1)C(=O)N(c2c[nH]c(=O)[nH]c2=O)C3=O	ZINC000000181465	O=C2C1CC=CCC1C(=O)N2c3c[nH]c(=O)[nH]c3=O
C[C@@H]2CN(C(=O)C(=O)N1CCN(C)C(=O)C1)C[C@@H]2N(C)C	ZINC000521356001	O=C2CN(C(=O)C(=O)N1CCCC1)CCN2
NCCC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000011755150	O=S1(=O)CCCC1
OCC(CO)NCC(=O)NCc1cccc(C#N)c1	ZINC000577646730	c1ccccc1
NC(=O)C13CC2CC(C1)CC(C(N)=O)(C2)C3	ZINC000000124715	C1C2CC3CC1CC(C2)C3
COc2nc(OC)c1nc(C)c(=O)[nH]c1n2	ZINC000000339570	O=c2cnc1cncnc1[nH]2
CCOCCS(=O)(=O)NCC(=O)NC[C@@](C)(CO)OC	ZINC000655213830	nonring
Cc3ccc(\C=c2\sc1nc(=O)c(C)nn1c2=O)o3	ZINC000000199740	O=c3cnn2c(=O)c(=Cc1ccco1)sc2n3
CCN1C(=O)C[C@H](NCC(N)=O)C1=O	ZINC000036850912	O=C1CCC(=O)N1
Nc3ncc(Cc2ccc1OCOc1c2)c(N)n3	ZINC000000010465	C3Oc2ccc(Cc1cncnc1)cc2O3
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N2CCN1CCOC[C@@H]1C2	ZINC000363861835	C2CN1CCOCC1CN2
O[C@@H]1C[C@@H]3N(C1)C(=S)N(c2ccccc2)C3=O	ZINC000000171195	O=C2C1CCCN1C(=S)N2c3ccccc3
NC(=O)c2nnn(Cc1ccccc1)c2N	ZINC000000126621	C(c1ccccc1)n2ccnn2
NC(=O)C3CCN(c1ncnc2[nH]cnc12)CC3	ZINC000000213852	C3CCN(c1ncnc2[nH]cnc12)CC3
COc2nc(Nc1ccc(C(C)=O)cc1)nc(OC)n2	ZINC000000051125	N(c1ccccc1)c2ncncn2
CC(=O)C2[C@@H](c1ccc(Cl)cc1)N(CCC(O)=O)C(=O)C2=O	ZINC000000084683	O=C2CC(c1ccccc1)NC2=O
CCOC(Cn1cc(C)c(=O)[nH]c1=O)OCC	ZINC000000105364	O=c1cc[nH]c(=O)[nH]1
NC(=O)C(=CNC(=S)N/N=c1/c(=O)[nH]c2ccccc12)C(N)=O	ZINC000008651805	N=c1c(=O)[nH]c2ccccc12
CC1S(=O)C(C)S(=O)C(C)S1=O	ZINC000000086686	O=S1CS(=O)CS(=O)C1
CC1(C)N(O)C(=O)C(C)(C)N(O)C1=O	ZINC000000135789	O=C1CNC(=O)CN1
CN(C)C(=O)CCNCc1cn(C)c(=O)n(C)c1=O	ZINC000037751746	O=c1cc[nH]c(=O)[nH]1
Cn2c(=O)[nH]c(=O)c3n(C=C)c(N1CCOCC1)nc23	ZINC000000493906	O=c3[nH]c(=O)c2[nH]c(N1CCOCC1)nc2[nH]3
Cn1c(NCCC(=O)NC(N)=O)c(C#N)c(=O)n(C)c1=O	ZINC000343823912	O=c1cc[nH]c(=O)[nH]1
CNS(=O)(=O)CC(=O)NC[C@@H](C)COC	ZINC000332447868	nonring
CC(=O)N[C@@H]3[C@@H](O)O[C@@H]2CO[C@H](c1ccccc1)O[C@H]2[C@@H]3O	ZINC000000525992	C3COC2COC(c1ccccc1)OC2C3
Cn2cc(S(=O)(=O)NCCN1CCNCC1)c(=O)n(C)c2=O	ZINC000261698485	O=c2[nH]cc(S(=O)(=O)NCCN1CCNCC1)c(=O)[nH]2
CN(C)CCNC(=O)c1ccc(\C=N\O)nc1	ZINC000000174346	c1ccncc1
CN3CN(C(=O)[C@H]2CC[C@@H](C(=O)N1CN(C)C(=O)C1)O2)CC3=O	ZINC000330300564	O=C3CN(C(=O)C2CCC(C(=O)N1CNC(=O)C1)O2)CN3
NC(=S)c2cnc(c1ccncc1)nc2N	ZINC000000109290	c2cnc(c1ccncc1)nc2
COC(=O)C12C3C4C1C5C2C3C45C(=O)OC	ZINC000000395625	C12C3C4C1C5C2C3C45
CCOC(=O)N2CCN(C(=O)[C@H]1CCC(=O)N1C(C)C)CC2	ZINC000000218361	O=C2CCC(C(=O)N1CCNCC1)N2
Cc1cccc(S(=O)(=O)C[C@H](N)C(O)=O)c1	ZINC000001577566	c1ccccc1
CN(CC(=O)N1CCC2(CC1)NC(=O)NC2=O)S(C)(=O)=O	ZINC000046331431	O=C2NC(=O)C1(CCNCC1)N2
NC(=O)C2(CNC(=O)NCCN1CCOCC1)CCOCC2	ZINC000042950597	O=C(NCCN1CCOCC1)NCC2CCOCC2
CS(=O)(=O)N2CC[C@@H](NC(=O)NCCN1CCNC(=O)C1)C2	ZINC000565065076	O=C2CN(CCNC(=O)NC1CCNC1)CCN2
CNS(=O)(=O)NCCN1CCN(S(=O)(=O)NC)CC1	ZINC000574719001	C1CNCCN1
Nc1nnnn1NCc2ccccc2OCc3ccc(F)cc3	ZINC000000105771	C(Nn1cnnn1)c2ccccc2OCc3ccccc3
Cn2cc(C[C@@H](CO)CNC(=O)CN1CCN(S(C)(=O)=O)CC1)cn2	ZINC000570526347	O=C(CN1CCNCC1)NCCCc2cn[nH]c2
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CNC(=O)CN	ZINC000037996605	C1CCNCC1
CC(C)[C@@H](C(=O)ON1C(=O)CCC1=O)n3c(=O)c2ccccc2c3=O	ZINC000000114927	O=C(Cn2c(=O)c1ccccc1c2=O)ON3C(=O)CCC3=O
COC(=O)c2ccc(S(=O)(=O)N1CCCC1)o2	ZINC000000114924	O=S(=O)(N1CCCC1)c2ccco2
C[C@H]1CNCCN1C(=O)[C@@H]2CC[C@@H](C(N)=O)O2	ZINC000583933719	O=C(C1CCCO1)N2CCNCC2
CO[C@@H]1CN(CCNS(C)(=O)=O)[C@@](C)(C(O)=O)C1	ZINC000634695044	C1CCNC1
Cc2ccc(C)c(C(=O)COC(=O)c1nonc1N)c2	ZINC000000052434	O=C(COC(=O)c1cnon1)c2ccccc2
COc1nc(=O)c(C)cn1[C@@H]2C[C@@H](O)[C@H](CO)O2	ZINC000000057404	O=c2ccn(C1CCCO1)cn2
COC(=O)C(C(C(=O)OC)C(=O)OC)C(=O)OC	ZINC000001733609	nonring
CC(C)Nc1nc(NC(C)C)nc(N(C)C#N)n1	ZINC000000068513	c1ncncn1
O=C2NC(=O)C3C(Cc1ccco1)C2C(=O)NC3=O	ZINC000001624732	O=C2NC(=O)C3C(Cc1ccco1)C2C(=O)NC3=O
CC(C)N(CC(N)=O)C(=O)CN1CCNCC1=O	ZINC000236705275	O=C1CNCCN1
CCCN([C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/C(O)=O	ZINC000002430000	O=S1(=O)CCCC1
Cn2ccc(=O)n(Cc1ccoc1)c2=O	ZINC000000019214	O=c1cc[nH]c(=O)n1Cc2ccoc2
CCNC(=O)CN2CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2	ZINC000095388887	O=C(Cc1c[nH]c(=O)[nH]c1=O)N2CCNCC2
O=c2[nH]c1ccccc1c(=O)n2CCN3CCSCC3	ZINC000000068770	O=c2[nH]c1ccccc1c(=O)n2CCN3CCSCC3
CC(=O)NC[C@@H]3CN(c2ccc(N1CCOCC1)c(F)c2)C(=O)O3	ZINC000000001622	O=C1OCCN1c3ccc(N2CCOCC2)cc3
CCOCCS(=O)(=O)NCC(=O)NC[C@@H]1CNCCO1	ZINC000564956106	C1COCCN1
Cn2c(=O)n(C)c1nc(N)n(CC=C)c1c2=O	ZINC000000287509	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
COc1ccc(S(N)(=O)=O)cc1OC	ZINC000000043852	c1ccccc1
COC(=O)[C@H]2[C@H](C(=O)OC)N(C=O)c1ccccc1N2C	ZINC000000336328	C2CNc1ccccc1N2
C3Oc2ccc(\C=N\n1cnnn1)cc2O3	ZINC000000223855	C3Oc2ccc(C=Nn1cnnn1)cc2O3
COCCNC(=O)CNC(=O)CN1CCNCC1=O	ZINC000429769238	O=C1CNCCN1
CN(C)C(=O)CNC(=O)C(=O)N1CC(C)(C(N)=O)C1	ZINC000646685918	C1CNC1
COc2cc1nc(N(CCO)CCO)nc(N)c1cc2OC	ZINC000000389139	c2ccc1ncncc1c2
Fc3ccc(S(=O)(=O)N2CCN1[C@H](CCC1=O)C2)cc3	ZINC000000008705	O=C3CCC2CN(S(=O)(=O)c1ccccc1)CCN23
COc3cc2c(CCNC(=O)C1CC1)c[nH]c2cc3F	ZINC000000008255	O=C(NCCc1c[nH]c2ccccc12)C3CC3
COc2ccc1[nH]cc(CCNC(=O)C(F)(F)F)c1c2	ZINC000000008252	c2ccc1[nH]ccc1c2
OC[C@@H]3O[C@@H](n2c1CCCCc1c(=O)[nH]c2=O)[C@@H](O)[C@@H]3O	ZINC000005567001	O=c3[nH]c(=O)n(C1CCCO1)c2CCCCc23
Cn2c(=O)n(C)c1nc(CO)cnc1c2=O	ZINC000000337818	O=c2[nH]c(=O)c1nccnc1[nH]2
CCOn1c(=O)c(=O)n(O)c2ccccc12	ZINC000000337819	O=c2[nH]c1ccccc1[nH]c2=O
COC(=O)C2=C(N)Oc1c(oc(CO)cc1=O)[C@@H]2c3cccnc3	ZINC000000117007	O=c3ccoc2C(c1cccnc1)C=COc23
COC(=O)CS(=O)(=O)c1nccn1C	ZINC000000093672	c1c[nH]cn1
CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N(C)CCN1CCCS1(=O)=O	ZINC000646998981	O=S1(=O)CCCN1
CCNC(=O)CNC(=O)N[C@@H](C)C(=O)N(C)C	ZINC000332429089	nonring
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c2ccc(OCC(N)=O)cc2	ZINC000000073803	O=C2NC=CC(c1ccccc1)N2
CC(=O)Nc1c(N)[nH]c(=O)n(C)c1=O	ZINC000002574224	O=c1cc[nH]c(=O)[nH]1
O=C1CNCCN1CC(=O)N2CCNCC2	ZINC000238080378	O=C1CNCCN1CC(=O)N2CCNCC2
CNS(=O)(=O)c2cn(CC(=O)NC[C@@H]1CCCO1)cc2S(=O)(=O)NC	ZINC000009224936	O=C(Cn1cccc1)NCC2CCCO2
O=C(Nn1cnnc1)c2ccc(N(=O)=O)cc2	ZINC000000066581	O=C(Nn1cnnc1)c2ccccc2
NS(=O)(=O)c1ccc(NC(=O)CNCCNCC(O)=O)c(F)c1	ZINC000022925384	c1ccccc1
CN(C)S(=O)(=O)N3CCN(c2nc1ccccc1o2)CC3	ZINC000000116667	C3CN(c2nc1ccccc1o2)CCN3
CC[C@H](N1C[C@H](O)[C@@H](O)C1)C(N)=O	ZINC000234065862	C1CCNC1
CNC(=O)CCN(C)C(=O)CN(C)S(C)(=O)=O	ZINC000332429330	nonring
CC(=O)N[C@H]1C(O)[C@@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)[C@H]1OC(C)=O	ZINC000001583310	C1CCCCC1
C[C@@H](O)[C@H]3[C@@H]2[C@@H](C)C(S[C@H]1CN[C@@H](CNS(N)(=O)=O)C1)=C(C(O)=O)N2C3=O	ZINC000036584729	O=C3CC2CC(SC1CCNC1)=CN23
O[C@@H]([C@H](O)C(=O)N1CCCC1)C(=O)N2CCCC2	ZINC000000135819	O=C(CCC(=O)N1CCCC1)N2CCCC2
O=C2N(Cn1cncn1)S(=O)(=O)c3ccccc23	ZINC000000040000	O=C2N(Cn1cncn1)S(=O)(=O)c3ccccc23
NC(=O)CNS(=O)(=O)CC[C@@H]1NC(=O)NC1=O	ZINC000002046247	O=C1CNC(=O)N1
Cc2cnc1n(C)c(=O)n(C)c(=O)c1n2	ZINC000000332373	O=c2[nH]c(=O)c1nccnc1[nH]2
OC(=O)CNC(=O)Cn2cnc1ccccc1c2=O	ZINC000000109907	O=c1[nH]cnc2ccccc12
CN(C)C[C@]2(O)CCN(C(=O)Cc1c[nH]c(=O)n(C)c1=O)C2	ZINC000077285050	O=C(Cc1c[nH]c(=O)[nH]c1=O)N2CCCC2
NC(=O)CN(CC(N)=O)S(=O)(=O)N1CCCNCC1	ZINC000061807793	C1CNCCNC1
Nc2ncnc3n([C@@H]1O[C@@H](CO)[C@@H](F)[C@H]1O)cnc23	ZINC000000487502	C3COC(n1cnc2cncnc12)C3
CCOC2(CS(=O)(=O)N1CCO[C@@H](C(N)=O)C1)CCOCC2	ZINC000624932395	O=S(=O)(CC1CCOCC1)N2CCOCC2
CCn1ccnc1C(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622691568	O=C2CN(C(=O)c1ncc[nH]1)CCN2
CCCn1c(SC[C@@H](C)O)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000180707	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CC(C)[C@H](NCc1c(O)ccc3c1oc(=O)c2ccccc23)C(O)=O	ZINC000000044740	O=c2oc1ccccc1c3ccccc23
COC(=O)CN[C@@H]2CC(=O)N(c1ccccc1)C2=O	ZINC000000100416	O=C1CCC(=O)N1c2ccccc2
CN(C)C(=O)c1nc(C#N)c(N(C)C)o1	ZINC000000081485	c1cocn1
Cn2c(N)c(S(=O)(=O)N1CCCC1)c(=O)n(C)c2=O	ZINC000004339406	O=c2[nH]cc(S(=O)(=O)N1CCCC1)c(=O)[nH]2
CCOC(=O)CSc1nnnn1c2ccc(C(O)=O)cc2	ZINC000000080578	c2ccc(n1cnnn1)cc2
CNC(=O)CN(CC(N)=O)C(=O)NC	ZINC000001632135	nonring
CCOC(=O)CNc1nc(N)nc2ccccc12	ZINC000000025611	c2ccc1ncncc1c2
OCCN3CCN(c2nc(=O)c(=C/c1ccccc1)/s2)CC3	ZINC000000088768	O=c2nc(N1CCNCC1)sc2=Cc3ccccc3
Cn1nccc1NC(=O)C[C@@H](CC(O)=O)c2ccccc2	ZINC000000153160	O=C(CCc1ccccc1)Nc2ccn[nH]2
C[N@]3CCO[C@@H](C(=O)N2CCO[C@]1(CCOC1)C2)C3	ZINC000186698612	O=C(C1CNCCO1)N3CCOC2(CCOC2)C3
COC(=O)Cn1ccc(=O)[nH]c1=O	ZINC000020362234	O=c1cc[nH]c(=O)[nH]1
CCN(C#N)c1nc(N(C)C)nc(N(C)C)n1	ZINC000000258494	c1ncncn1
OC3CN(C(=O)[C@@H]2CC[C@@H](C(=O)N1CC(O)C1)O2)C3	ZINC000330237798	O=C(C2CCC(C(=O)N1CCC1)O2)N3CCC3
O[C@@H]3CC[N@@](CCNc2ncnc1NCCOc12)C3	ZINC000624681104	C3CCN(CCNc2ncnc1NCCOc12)C3
O=C(Nn1cnnc1)c3cc2cc(N(=O)=O)ccc2oc3=O	ZINC000000108460	O=C(Nn1cnnc1)c3cc2ccccc2oc3=O
COC(=O)[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1	ZINC000035162525	c1ccccc1
Cn2c(=O)n(C)c1ncn(CCO[C@H](O)C(Cl)(Cl)Cl)c1c2=O	ZINC000000608114	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Nc3nc2c(C[N@]1C[C@H](O)[C@@H](CO)C1)c[nH]c2c(=O)[nH]3	ZINC000004846228	O=c2[nH]cnc3c(CN1CCCC1)c[nH]c23
COc2cc(C=c1c(=O)[nH]c(=S)n(C)c1=O)ccc2O	ZINC000000195260	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccccc2
C[C@H](C(C)=O)n1c(Br)nc2n(C)c(=O)n(C)c(=O)c12	ZINC000000189502	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
NC(=O)NC(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(N)=O	ZINC000031871075	c1ccccc1
NC(=N)NCCC[C@@H](NS(=O)(=O)c1ccccc1)C(N)=O	ZINC000005604159	c1ccccc1
NS(=O)(=O)c2ccc(NC(=O)CCc1ccccc1)cc2	ZINC000000035573	O=C(CCc1ccccc1)Nc2ccccc2
CC3(C)O[C@@H]2O[C@@H]([C@H](O)COC(=O)c1ccccc1)[C@@H](O)[C@@H]2O3	ZINC000000391392	O=C(OCCC2CC1OCOC1O2)c3ccccc3
COC(=O)CN1CCCN(C(=O)[C@H](CO)NC(=O)C(C)C)CC1	ZINC000370665542	C1CNCCNC1
Cc2cc(C(=O)N1CCN(CC(N)=O)C(=O)C1)n[nH]2	ZINC000622691016	O=C2CN(C(=O)c1cc[nH]n1)CCN2
COc1ccc(/C=C/C(O)=O)cc1S(=O)(=O)NCCCO	ZINC000001812465	c1ccccc1
CO[C@@](C)(CO)CNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1	ZINC000655210387	c1c[nH]cn1
COCCNC(=O)C(=O)NC1CC1	ZINC000002491075	C1CC1
CN(C)C(=S)SCCn1c(N)nc(N(C)C)nc1=O	ZINC000000497254	O=c1ncnc[nH]1
O=C(Cn1ccc(=O)[nH]c1=O)N2CCOCC2	ZINC000001692901	O=C(Cn1ccc(=O)[nH]c1=O)N2CCOCC2
CN(C)\C=c2/c(CSc1ccccn1)n[nH]c2=O	ZINC000000091783	C=c2c(CSc1ccccn1)n[nH]c2=O
CC3(C)O[C@H]2[C@H](O)[C@H]1CO[C@H](O1)[C@H]2O3	ZINC000000404026	C3OC2CC1COC(O1)C2O3
NC(=O)CS(=O)(=O)C(c1ccccc1)c2ccccc2	ZINC000000024705	C(c1ccccc1)c2ccccc2
COc1ccc(NC(=O)C(=O)NC(C)(CO)CO)cn1	ZINC000583938730	c1ccncc1
Cc3cn([C@@H]2C[C@H]1OC[C@H]1O2)c(=O)[nH]c3=O	ZINC000000231539	O=c3ccn(C2CC1OCC1O2)c(=O)[nH]3
COC(=O)c1cc(C(=O)OC)c(=O)[nH]c1C	ZINC000000128101	O=c1cccc[nH]1
CN2C[C@@H](NC(=O)C1CS(=O)(=O)C1)C(=O)N2	ZINC000632294228	O=C1NNCC1NC(=O)C2CS(=O)(=O)C2
C[C@@H](CCN1CCN(CC(N)=O)C(=O)C1)N2CCN(CC(N)=O)C(=O)C2	ZINC000664779629	O=C2CN(CCCN1CCNC(=O)C1)CCN2
CO[C@@H]1COC[C@@H]1NC(=O)Cn3nc2CCCCn2c3=O	ZINC000650093116	O=C(Cn2nc1CCCCn1c2=O)NC3CCOC3
O=C(COCC(=O)NC1CCCCC1)NC2CCCCC2	ZINC000000046980	O=C(COCC(=O)NC1CCCCC1)NC2CCCCC2
O=C1CNC(=O)N1CCCN3CCN(S(=O)(=O)N2CCOCC2)CC3	ZINC000108965128	O=C1CNC(=O)N1CCCN3CCN(S(=O)(=O)N2CCOCC2)CC3
O=C1CCCN1CC(=O)N2CCOCC2	ZINC000000190964	O=C1CCCN1CC(=O)N2CCOCC2
Cn2cc(S(=O)(=O)NCC[N@]1CCC[C@@](O)(C(N)=O)C1)cn2	ZINC000336864220	O=S(=O)(NCCN1CCCCC1)c2cn[nH]c2
CCOC(=O)[C@@H](N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	ZINC000595944116	C1CNCCN1
CN(C)S(=O)(=O)N2CC(NC(=O)NCCN1C(=O)CNC1=O)C2	ZINC000623610119	O=C(NCCN1C(=O)CNC1=O)NC2CNC2
c4ccc(n1ncc2c1ncn3nnnc23)cc4	ZINC000000055497	c4ccc(n1ncc2c1ncn3nnnc23)cc4
NCC(=O)N1CCCN(CC(N)=O)CC1	ZINC000037823664	C1CNCCNC1
CNS(=O)(=O)[C@@H]2CCCN(C(=O)C(=O)Nc1cn(C)nc1OC)C2	ZINC000530444784	O=C(Nc1cn[nH]c1)C(=O)N2CCCCC2
COC(=O)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C	ZINC000332469131	nonring
O[C@H]1CS(=O)(=O)C[C@H]1NCC(O)=O	ZINC000003163158	O=S1(=O)CCCC1
Cn2c(C#N)nc3n(C)c(=O)n(Cc1ccccc1F)c(=O)c23	ZINC000000053264	O=c2[nH]c1nc[nH]c1c(=O)n2Cc3ccccc3
C[C@H](N[C@H](C)C(=O)NC(N)=O)C(N)=O	ZINC000035149395	nonring
CC(=O)N(c1cc(C)on1)S(=O)(=O)c2ccc(N)cc2	ZINC000000000873	O=S(=O)(Nc1ccon1)c2ccccc2
CN(C)S(=O)(=O)c1cnccc1N2CCN(CC=C)CC2	ZINC000000481275	C2CN(c1ccncc1)CCN2
O=C(CC(=O)Nn1cnnc1)Nn2cnnc2	ZINC000000973528	O=C(CC(=O)Nn1cnnc1)Nn2cnnc2
CC4(C)S[C@@H]3[C@@H](NC(=O)[C@@H](NC(=O)N1CCNC1=O)c2ccccc2)C(=O)N3[C@@H]4C(O)=O	ZINC000001530562	O=C(NC2C1SCCN1C2=O)C(NC(=O)N3CCNC3=O)c4ccccc4
CCS(=O)(=O)NCC(=O)N[C@](C)(COC)C#N	ZINC000332478724	nonring
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(S(N)(=O)=O)CC1	ZINC000447755987	C1CNCCN1
OCCCNC(=O)C(=O)NCC=C	ZINC000002490095	nonring
COC(=O)c2ccc(S(=O)(=O)NCCN1CCNC1=O)n2C	ZINC000000146335	O=C1NCCN1CCNS(=O)(=O)c2ccc[nH]2
CNS(=O)(=O)NCC(=O)NC[C@@H](OC)C(C)C	ZINC000332506137	nonring
CC(C)(C)NC(=O)CN(CCN)C[C@@H](O)CO	ZINC000662288094	nonring
CNC(=O)NCC(=O)N2CCN(S(=O)(=O)N1CCOCC1)CC2	ZINC000408016641	O=S(=O)(N1CCNCC1)N2CCOCC2
COc2ccc([C@@H]1SC[C@@H](C(O)=O)N1C(C)=O)cc2	ZINC000000207371	C2CSC(c1ccccc1)N2
Cc1nnnn1[C@H]2CC(=O)[C@H]3OC[C@@H]2O3	ZINC000000107055	O=C2CC(n1cnnn1)C3COC2O3
N[C@@H]3CCCCN(CC(=O)N2CC[C@@H]1OCCN[C@@H]1C2)C3=O	ZINC000648136028	O=C1CCCCCN1CC(=O)N3CCC2OCCNC2C3
Cc2ccc(S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)cc2	ZINC000000386582	C2CCC(Sc1ccccc1)OC2
Cn2nnc(NC(=O)COc1ccccc1N(=O)=O)n2	ZINC000000530886	O=C(COc1ccccc1)Nc2nn[nH]n2
CNC[C@@H]1C[C@H](F)CN1C(=O)c3nc2NCCCn2n3	ZINC000648132014	O=C(N1CCCC1)c3nc2NCCCn2n3
NC(=O)CSc1nnnn1c3ccc2OCOc2c3	ZINC000000300163	C3Oc2ccc(n1cnnn1)cc2O3
Cc1ccccc1Oc2ccc(S(=O)(=O)NCC(O)=O)cc2	ZINC000000074857	O(c1ccccc1)c2ccccc2
COC(=O)Cn2c(=O)[nH]c1ccccc1c2=O	ZINC000000488719	O=c2[nH]c(=O)c1ccccc1[nH]2
Nc2c(C(=O)c1ccccc1)non2=O	ZINC000000055140	O=C(c1ccccc1)c2cn(=O)on2
Cn1c(=O)[nH]c(=O)c2nc(SCCC(O)=O)[nH]c12	ZINC000000315563	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CN1CCOC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]2COCCN2C	ZINC000671603302	O=C(NCCNC(=O)C1COCCN1)C2COCCN2
C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(S(N)(=O)=O)CC1	ZINC000341152022	C1CNCCN1
CC(=O)OC(OC(C)=O)[C@@]12O[C@@H](C=C1)[C@@H]3[C@H]2C(=O)NC3=O	ZINC000000257326	O=C3NC(=O)C2C1OC(C=C1)C23
NC(=O)CSc2nc1ccccc1n2CCO	ZINC000000122674	c2ccc1[nH]cnc1c2
CCN(CC(=O)NC)C(=O)C(=O)NCC(N)=S	ZINC000042516826	nonring
NC[C@H]1OCO[C@@H]2[C@H]1OCO[C@H]2C(O)=O	ZINC000001730174	C2OCC1OCOCC1O2
CNC(=O)NC(=O)[C@@H](C)N2CCN(S(=O)(=O)N1CCCC1)CC2	ZINC000032777704	O=S(=O)(N1CCCC1)N2CCNCC2
NC(=O)c1sc(C(N)=O)c(C(N)=O)sc1C(N)=O	ZINC000001720125	c1csccs1
OCC(CO)(CO)NC(=S)Nc1ccc(F)c(Cl)c1	ZINC000000139811	c1ccccc1
CN2CCN(NC(C)=CC(=O)NN1CCN(C)CC1)CC2	ZINC000005620786	O=C(NN1CCNCC1)C=CNN2CCNCC2
CC(C)NC(=O)CN[C@@H]1CC(=O)NC1=O	ZINC000036853688	O=C1CCC(=O)N1
CC[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)c2ccccc2	ZINC000000030797	O=C(Cc1ccccc1)Nc2ccccc2
O=C(CN(CC#C)CC(=O)N1CCNC1=O)N2CCNC2=O	ZINC000047550601	O=C(CNCC(=O)N1CCNC1=O)N2CCNC2=O
CCNS(=O)(=O)[C@@H]2CCN(C(=O)C(=O)NCCc1ccn(C)n1)C2	ZINC000584018286	O=C(NCCc1cc[nH]n1)C(=O)N2CCCC2
Cc2cn(C(=O)c1ccccc1)c(=O)[nH]c2=O	ZINC000000011114	O=C(c1ccccc1)n2ccc(=O)[nH]c2=O
Cn3cc(c1nn(C)cc1C(=O)N2CCN(CC(N)=O)C(=O)C2)cn3	ZINC000622691714	O=C3CN(C(=O)c1c[nH]nc1c2cn[nH]c2)CCN3
Cc2ccc(S(=O)(=O)CC(=O)NC1CC1)cc2	ZINC000000038223	O=C(CS(=O)(=O)c1ccccc1)NC2CC2
Fc1ccccc1C(=O)NCC(=O)NC2CC2	ZINC000000038225	O=C(CNC(=O)c1ccccc1)NC2CC2
CCC[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CN(C)C(=O)N1	ZINC000616310628	O=C1NCCN1
NC(=O)C2CCN(C(=O)CSCc1ccccc1Cl)CC2	ZINC000000038226	O=C(CSCc1ccccc1)N2CCCCC2
CCOC(=O)c2cnc1cc(=O)[nH]n1c2C	ZINC000000027938	O=c2cc1ncccn1[nH]2
COc1ccc([C@@H](CC(N)=O)CC(O)=O)cc1	ZINC000000137889	c1ccccc1
CC(C)C(=O)Nc2nc1[nH]cnc1c(=O)[nH]2	ZINC000000096962	O=c1[nH]cnc2[nH]cnc12
O[C@@H]1CCC(=O)N1CN2[C@H](O)CCC2=O	ZINC000001613040	O=C1CCCN1CN2CCCC2=O
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H](C)N2CCOCC2	ZINC000668492266	O=C(NCCN1CCOCC1)C(=O)NC2CCS(=O)(=O)C2
COc1ccccc1CNC(=O)N2CCOCC2	ZINC000000030248	O=C(NCc1ccccc1)N2CCOCC2
C[C@@H]3CN(C(=O)c2nc1NCCCn1n2)[C@H](C)CN3CCO	ZINC000616341674	O=C(N1CCNCC1)c3nc2NCCCn2n3
O=C1NCCCC[C@@H]1NS(=O)(=O)c2ccccc2	ZINC000000153539	O=C1NCCCCC1NS(=O)(=O)c2ccccc2
COCCOCCN1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1	ZINC000665006406	C1CNCCN1
CO[C@H]1O[C@@H](CO)[C@@H](OC(C)=O)[C@@H](O)[C@H]1O	ZINC000004721255	C1CCOCC1
C[C@@H]1O[C@@H](OC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004721254	C1CCOCC1
CO[C@@H]2C[C@@H](C(O)=O)N(C(=O)NCCc1nc(C)no1)C2	ZINC000231909052	O=C(NCCc1ncno1)N2CCCC2
CCn1c(=O)n(CC)c2cc(S(N)(=O)=O)ccc12	ZINC000000111316	O=c2[nH]c1ccccc1[nH]2
NS(=O)(=O)c3ccc(c2ccc(n1cnnn1)cc2)cc3	ZINC000000111313	c3ccc(c2ccc(n1cnnn1)cc2)cc3
O=C1CCC(=O)N1CC(=O)N4CCN(C(=O)[C@@H]3[C@H]2CNC[C@H]23)CC4	ZINC000648150769	O=C1CCC(=O)N1CC(=O)N4CCN(C(=O)C3C2CNCC23)CC4
COCC(=O)NC2CN(C(=O)C(=O)N1CCN[C@@H](C)C1)C2	ZINC000423572553	O=C(N1CCC1)C(=O)N2CCNCC2
CCNC(=O)CN1CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC1	ZINC000429202166	C1CNCCN1
CNc1nc(NCC(=O)N(C)C)nc(NCC(=O)N(C)C)n1	ZINC000343839365	c1ncncn1
OCCNc2nn(=O)c1ccccc1n2=O	ZINC000001616278	O=n1cnn(=O)c2ccccc12
Cn1nnc(NC(=S)NC(=O)C(C)(C)C)n1	ZINC000000526996	c1nn[nH]n1
Cn2c(C(=O)N[C@@H]1CCNC(=O)CC1)cc3c(=O)n(C)c(=O)n(C)c23	ZINC000616360525	O=C3CCC(NC(=O)c2cc1c(=O)[nH]c(=O)[nH]c1[nH]2)CCN3
Cn2c(=O)n(C)c1nc(Cl)n(CC#C)c1c2=O	ZINC000000053720	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
O=C1CCCN1S(=O)(=O)c2ccccc2	ZINC000000010405	O=C1CCCN1S(=O)(=O)c2ccccc2
Nc2ncc1n(C[C@H](O)CO)cnc1n2	ZINC000001612570	c2ncc1[nH]cnc1n2
OCC3(O)CN(C(=O)C2(C(=O)N1CC(O)(CO)C1)CCC2)C3	ZINC000615429519	O=C(N1CCC1)C3(C(=O)N2CCC2)CCC3
CNC(=S)NCCN(CCN(CCNC(=S)NC)C(=S)NC)C(=S)NC	ZINC000016189335	nonring
COc3ccc(N2C[C@@H](C(=O)NC[C@@H]1CCCO1)CC2=O)cc3	ZINC000000053091	O=C2CC(C(=O)NCC1CCCO1)CN2c3ccccc3
C[C@@H](NS(C)(=O)=O)C(=O)N1CC(=O)N(C)C(=O)C1	ZINC000517968246	O=C1CNCC(=O)N1
Cc2ncnc3n([C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)cnc23	ZINC000000057394	C3COC(n1cnc2cncnc12)C3
CNS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)N1CCN(C)CC1)CC2	ZINC000435227985	O=S(=O)(N1CCNCC1)N2CCNCC2
Cc2cc(=O)oc3cc(O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)ccc23	ZINC000000057398	O=c3ccc2ccc(OC1CCCCO1)cc2o3
CCOC(=O)COc2ccc(\C=c1\[nH]c(=S)[nH]c1=O)cc2OC	ZINC000000444722	O=c1[nH]c(=S)[nH]c1=Cc2ccccc2
C[C@@]1(C=NNC(N)=S)NC(=O)NC1=O	ZINC000001595905	O=C1CNC(=O)N1
Cc2nn(C)c3ncc1c(=O)[nH]n(C)c1c23	ZINC000000161536	O=c1[nH][nH]c3c1cnc2[nH]ncc23
COc1nccnc1NS(=O)(=O)c3ccc(NC(=S)NC(=O)c2ccco2)cc3	ZINC000002071363	O=C(NC(=S)Nc2ccc(S(=O)(=O)Nc1cnccn1)cc2)c3ccco3
CC(=O)[C@@H]1CNC(=S)N[C@@]1(C)O	ZINC000000119019	S=C1NCCCN1
NC(=O)c2cnn(c1ccccc1)c2N	ZINC000000127913	c2ccc(n1cccn1)cc2
CS(=O)(=O)N3CCN(S(=O)(=O)N1CCN2[C@@H](C1)C(=O)NC2=O)CC3	ZINC000544730694	O=C3NC(=O)N2CCN(S(=O)(=O)N1CCNCC1)CC23
NS(=O)(=O)N3CCN(c1nccn2nnnc12)CC3	ZINC000530872812	C3CN(c1nccn2nnnc12)CCN3
Cc2c(CC1=N[S@](=O)ON1)ccc3ccccc23	ZINC000000012127	O=S3ONC(Cc2ccc1ccccc1c2)=N3
COc1cc(OC)c(/C=C/C(O)=O)cc1OC	ZINC000000057171	c1ccccc1
CN(CCC(=O)N1CCNCC1)[C@H]2CNC[C@@H]2O	ZINC000570802236	O=C(CCNC1CCNC1)N2CCNCC2
COC1=C(C(O)=O)N3[C@H](SC1)[C@H](NC(=O)[C@H](N)C2=CCC=CC2)C3=O	ZINC000003830462	O=C(CC1=CCC=CC1)NC3C2SCC=CN2C3=O
Cc1nn(C)c(Cl)c1S(=O)(=O)N2CCOCC2	ZINC000000159580	O=S(=O)(N1CCOCC1)c2cn[nH]c2
CC4CCN(c3nc(N1CCOCC1)nc(N2CCOCC2)n3)CC4	ZINC000000049324	C4CCN(c3nc(N1CCOCC1)nc(N2CCOCC2)n3)CC4
CCOC(=O)c1[nH]c(=O)[nH]c1Cn2nc(C)cc2C	ZINC000000049325	O=c2[nH]cc(Cn1cccn1)[nH]2
CNC(=O)C[C@H]2N(NC(=O)c1ccccc1)C(=S)N(C)C2=O	ZINC000000103970	O=C2CN(NC(=O)c1ccccc1)C(=S)N2
NC(=N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)C(O)=O	ZINC000095617726	C1CCNC1
O=C1OCCCN1CCN2CCCOC2=O	ZINC000000103979	O=C1OCCCN1CCN2CCCOC2=O
NC(=S)NNC(=S)Nc1ccc(F)cc1	ZINC000000046167	c1ccccc1
C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1	ZINC000505514743	C1CC1
CCCCN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000026442013	C1CCOCC1
CC(=O)OC[C@@H]2O[C@H](n1ccc(=O)[nH]c1=O)[C@@H](O)[C@@H]2O	ZINC000013150474	O=c2ccn(C1CCCO1)c(=O)[nH]2
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC=O	ZINC000002556591	c1ccccc1
CNS(=O)(=O)[C@@H]2CCN([C@@H]1CC(=O)N(CCOCCO)C1=O)C2	ZINC000521322739	O=C2CC(N1CCCC1)C(=O)N2
O=C(NC[C@H]2CCCN(C(=O)[C@H]1COCCN1)C2)[C@@H]3CCCN3	ZINC000517744530	O=C(NCC2CCCN(C(=O)C1COCCN1)C2)C3CCCN3
Cn1nnnc1N2CCC[C@@H](C(=O)NCCN)C2	ZINC000063180697	C2CCN(c1nnn[nH]1)CC2
Nc2nnc(SCC(=O)NCCc1ccccc1)s2	ZINC000000036095	O=C(CSc1nncs1)NCCc2ccccc2
CN2C(=O)CN(CC(=O)NCC(=O)NC1CCCC1)C2=O	ZINC000624887579	O=C(CNC(=O)CN1CC(=O)NC1=O)NC2CCCC2
Cc1ccc(S(=O)(=O)O[C@@H](C=O)[C@H](O)[C@H](O)CO)cc1	ZINC000004566263	c1ccccc1
CCOc1ccc(NN=C(C(C)=O)C(N)=O)cc1	ZINC000000068793	c1ccccc1
OCC(=O)Nc1cccc(NC(=O)CO)n1	ZINC000000287837	c1ccncc1
OC[C@H]3CN(C(=O)C(=O)N2CC[N@]1C[C@H](O)C[C@H]1C2)CCO3	ZINC000656070299	O=C(N1CCOCC1)C(=O)N3CCN2CCCC2C3
C[C@@H](O)CCNC(=O)C1(O)CNC1	ZINC000662470319	C1CNC1
Cn2nnc(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)n2	ZINC000362973319	O=S(=O)(NCc1nn[nH]n1)N2CCNCC2
Cn2c(=O)n(CN1CCN(S(C)(=O)=O)CC1)c(=O)c2=O	ZINC000022023719	O=c1[nH]c(=O)c(=O)n1CN2CCNCC2
COC(=O)[C@@H](CO)NC(=O)c2cnc1SCCn1c2=O	ZINC000035165478	O=c2ccnc1SCCn12
OCCN2CCN(C(=O)COCC(=O)N1CCN(CCO)CC1)CC2	ZINC000530788520	O=C(COCC(=O)N1CCNCC1)N2CCNCC2
CCNC(=O)C2(CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)CCC2	ZINC000409615113	O=C(NCC1CCC1)N2CCNCC2
Cc2oc1CCCCc1c2C(=O)NCc3cc(C(O)=O)co3	ZINC000000036321	O=C(NCc1ccco1)c3coc2CCCCc23
NC(=O)[C@@]2(O)CCCN(CC#CC[N@]1CCC[C@](O)(C(N)=O)C1)C2	ZINC000346560136	C2CCN(CC#CCN1CCCCC1)CC2
Cn2c(N)c([C@@H](CN(=O)=O)c1ccco1)c(=O)n(C)c2=O	ZINC000000101902	O=c2[nH]cc(Cc1ccco1)c(=O)[nH]2
FC(F)(F)[C@@H]1CNC[C@H]1C(=O)NCCN2C(=O)CNC2=O	ZINC000653090424	O=C1CNC(=O)N1CCNC(=O)C2CCNC2
CC[C@@H](C(=O)OC)C(=O)N1C[C@H](O)[C@@H](O)C1	ZINC000600216658	C1CCNC1
CCO[C@@H]1CN(C(=O)ON)N1C(=O)ON	ZINC000001859204	C1CNN1
NS(=O)(=O)[C@@H]1COCCN(S(N)(=O)=O)C1	ZINC000616663297	C1CNCCOC1
CS(=O)(=O)c1cc(C#N)cc(S(C)(=O)=O)c1	ZINC000000154186	c1ccccc1
NS(=O)(=O)c2ccc(Nc1c(Cl)c(=O)[nH]c1=O)cc2	ZINC000000113814	O=c2cc(Nc1ccccc1)c(=O)[nH]2
CN2CCN([C@@H]1CS(=O)(=O)C[C@@H]1N)CC2	ZINC000031990082	O=S2(=O)CCC(N1CCNCC1)C2
CCOC(=O)C2CCN(C=c1c(=O)n(C)c(=S)n(C)c1=O)CC2	ZINC000000312969	O=c1[nH]c(=S)[nH]c(=O)c1=CN2CCCCC2
CC3(C)N(CC(=O)N2CCN1[C@H](C[C@@H](N)C1=O)C2)C(=O)NC3=O	ZINC000575138925	O=C3CN(CC(=O)N2CCN1C(CCC1=O)C2)C(=O)N3
CCS(=O)(=O)NCCNC(=O)N[C@@H]2CC[N@@](CCN1CCOCC1)C2	ZINC000604639698	C2CCN(CCN1CCOCC1)C2
CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)OCC)CC1=O	ZINC000000056423	O=C1CCC(=O)CC1
NC(=O)NC(=O)Cn1cc(N)cn1	ZINC000019810505	c1cn[nH]c1
OCn3c(=O)c2cc1c(=O)n(CO)c(=O)c1cc2c3=O	ZINC000001586853	O=c2[nH]c(=O)c3cc1c(=O)[nH]c(=O)c1cc23
C[C@H](N1CCN(S(N)(=O)=O)CC1)C(=O)NC(N)=O	ZINC000042634055	C1CNCCN1
CN2CCN(C(=O)CCNC(=O)C(=O)NCCCN1CCCC1=O)CC2	ZINC000584186130	O=C1CCCN1CCCNC(=O)C(=O)NCCC(=O)N2CCNCC2
Clc2cn(=O)c1[nH]c(=O)c(=O)[nH]c1c2	ZINC000000006450	O=c2[nH]c1cccn(=O)c1[nH]c2=O
CC(=O)C2=C(N)C(=O)N(C1CCCCC1)C2	ZINC000000040799	O=C1C=CCN1C2CCCCC2
C[C@@H](CCN(C)C)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C	ZINC000646875696	c1cc[nH]c1
Fc2cnc(N1CCOCC1)nc2N3CCOCC3	ZINC000000040794	C3CN(c2ccnc(N1CCOCC1)n2)CCO3
COc2ccc(O)c(\C=N\n1cnnc1)c2	ZINC000000040063	C(=Nn1cnnc1)c2ccccc2
CC(C)(CCO)CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000408432857	C1CNCCN1
O[C@@]2(C(=O)NCC(=O)NC1CC1)CCCNC2	ZINC000662452486	O=C(CNC(=O)C1CCCNC1)NC2CC2
COc2cc(C=c1c(=O)[nH]c(=O)[nH]c1=O)c(Br)cc2OCC(N)=O	ZINC000002748130	O=c2[nH]c(=O)c(=Cc1ccccc1)c(=O)[nH]2
CS(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000001042084	O=S1(=O)CCCC1
COC(=O)[C@H](C)S(=O)(=O)NCCN1CCNCC1	ZINC000042537806	C1CNCCN1
CS(=O)(=O)N2CCN(C(=O)C(=O)NCc1cc[nH]n1)CC2	ZINC000559287626	O=C(NCc1cc[nH]n1)C(=O)N2CCNCC2
CCOc2ccc(S(=O)(=O)N(CC(=O)NC)c1ccccc1)cc2	ZINC000000080516	O=S(=O)(Nc1ccccc1)c2ccccc2
COc3ccc(N2CCN(C(=O)COc1ccccc1C)CC2)cc3	ZINC000000080512	O=C(COc1ccccc1)N3CCN(c2ccccc2)CC3
CN[C@@H](C(C)C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](CC(C)C)C(N)=O)C[C@@H](O)[C@@H]1O	ZINC000003838851	C1CCC=CC1
NC(=O)c2cc1ccccc1nc2C(N)=O	ZINC000000118210	c2ccc1ncccc1c2
NC(=O)C(NC(=O)COc1ccc(I)cc1)C(N)=O	ZINC000042788058	c1ccccc1
O[C@@H]1C[C@H]2O[C@@H]1CO[C@H]3N2C(=O)NC(O)=C3[N+]#N	ZINC000004802723	O=C3NC=CC2OCC1CCC(O1)N23
CCN(CC(=O)OC)C(=O)CNC(N)=O	ZINC000332499852	nonring
NC(=O)CN(CC(N)=O)C(=O)CN2C(=O)NC1(CCCC1)C2=O	ZINC000363350626	O=C2NC(=O)C1(CCCC1)N2
N[C@@H]2CCCCN(CC(=O)NCCN1CCCS1(=O)=O)C2=O	ZINC000643668571	O=C(CN1CCCCCC1=O)NCCN2CCCS2(=O)=O
C[N@]2CCO[C@H](C(=O)N1CCNC(=O)C1)C2	ZINC000081229293	O=C2CN(C(=O)C1CNCCO1)CCN2
COC(=O)c1c(C)n(C)c(C)c1S(N)(=O)=O	ZINC000000114476	c1cc[nH]c1
COC(=O)[C@@](C)(O)CN1CCO[C@@H](CO)C1	ZINC000221141172	C1COCCN1
C[C@@H](NC(=O)[C@@H](N)CCCNC(N)=NN(=O)=O)[P@](O)(O)=O	ZINC000027322921	nonring
Cc1n[nH]c(C)c1CC(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622690928	O=C2CN(C(=O)Cc1cn[nH]c1)CCN2
O=C1CC[C@@H]3N1C(=O)[C@@H]2CCC(=O)N2C3=O	ZINC000000016119	O=C1CCC3N1C(=O)C2CCC(=O)N2C3=O
C[C@H]1N(S(C)(=O)=O)CCN1S(=O)(=O)c2ccc(C)cc2	ZINC000000189526	O=S(=O)(N1CCNC1)c2ccccc2
CCc1ncncc1C(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000622690920	O=C2CN(C(=O)c1cncnc1)CCN2
CN3CCN(NC(=O)[C@H]2[C@H]1O[C@H](C=C1)[C@@H]2C(O)=O)CC3	ZINC000004395666	O=C(NN1CCNCC1)C2CC3OC2C=C3
C[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)c2cnn(C)c2	ZINC000622691468	O=C2CN(C(=O)Cc1cn[nH]c1)CCN2
CC(=O)NCC(=O)NCC(=O)N[C@@H]2CCc1nnc(C)n1C2	ZINC000370770488	C2CCn1cnnc1C2
NS(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)c1ccn[nH]1)C2	ZINC000646955942	O=C(NCCNC(=O)c1ccn[nH]1)C2CCCNC2
O=C(C[C@@H]1NC(=O)NC1=O)Nc2nccs2	ZINC000000556384	O=C(CC1NC(=O)NC1=O)Nc2nccs2
COc1ccccc1NC2=NC(CO)(CO)CS2	ZINC000000102839	C2CN=C(Nc1ccccc1)S2
CNC(=O)CNC(=O)[C@@H]1NC(=O)O[C@@H]1C	ZINC000497124308	O=C1NCCO1
COC(=O)[C@H]2C[C@H]1C[C@H](CC(C(=O)OC)=C1O)C2=O	ZINC000000124699	O=C1CCC2CC1CC=C2
Cc2cccc(NC1=NC(CO)(CO)CS1)c2	ZINC000000102835	C2CN=C(Nc1ccccc1)S2
C[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)n2cncn2	ZINC000622691034	O=C2CN(C(=O)Cn1cncn1)CCN2
NC(=O)CN2CCN(C(=O)c1ccn[nH]1)CC2=O	ZINC000622691037	O=C2CN(C(=O)c1ccn[nH]1)CCN2
NC(=O)CN2CCN(C(=O)Cn1cccn1)CC2=O	ZINC000622691038	O=C2CN(C(=O)Cn1cccn1)CCN2
O=C1NCCN1CCNS(=O)(=O)c2cccc3nonc23	ZINC000000146512	O=C1NCCN1CCNS(=O)(=O)c2cccc3nonc23
Cc1c(N)c(=O)n(C)c(=O)n1C	ZINC000000330447	O=c1cc[nH]c(=O)[nH]1
CCOC(=O)C[C@@H](NC(=O)C[C@@H](N)C(O)=O)C(=O)OCC	ZINC000001709636	nonring
CNc2ccn([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c(=O)n2	ZINC000005461123	O=c1ncccn1C2CCCO2
Cc3ccc(C(=O)Cc2nn1c(C)nnc1n(N)c2=O)cc3	ZINC000000408328	O=C(Cc2nn1cnnc1[nH]c2=O)c3ccccc3
CN2CCN(c1cc(N)nc(N)n1)CC2	ZINC000000205303	C2CN(c1ccncn1)CCN2
CC13CN2CC(C)(CN(C1)C2[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C3	ZINC000019331780	C1C2CN3CC1CN(C2)C3
NS(=O)(=O)N3CCC[C@@H](C(=O)N[C@@H]2CCc1nnnn1CC2)C3	ZINC000616390902	O=C(NC2CCc1nnnn1CC2)C3CCCNC3
CC2[C@H](C(=O)N1CCO[C@@H](C(N)=O)C1)[C@H]2C(=O)N3CCO[C@@H](C(N)=O)C3	ZINC000667646605	O=C(C1CC1C(=O)N2CCOCC2)N3CCOCC3
CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O	ZINC000022046214	C1CCOCC1
CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1C[C@H](F)CN1	ZINC000648141072	C1CCNC1
Cc2ccc(S(=O)(=O)n1cnc(N(=O)=O)n1)cc2	ZINC000000056586	O=S(=O)(c1ccccc1)n2cncn2
COC(=O)c1c(N(=O)=O)c(C)nn1C	ZINC000000120361	c1cn[nH]c1
CCC[C@@H](C(=O)N1CC[C@@H](C(=O)NC)C1)S(N)(=O)=O	ZINC000616374887	C1CCNC1
COc2ccc(OC)c([C@@H]1NC(=O)NC(C)=C1C(N)=O)c2	ZINC000000071706	O=C2NC=CC(c1ccccc1)N2
CNC(=O)CN2CCN(C(=O)CN1CCNCC1=O)CC2	ZINC000519393542	O=C1CNCCN1CC(=O)N2CCNCC2
Cn1cnc2n(CCO)c(=O)[nH]c(=O)c12	ZINC000000299457	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Cn1ccnc1CNC(=O)[C@@H]2NC(=O)CNC2=O	ZINC000644149527	O=C2CNC(=O)C(C(=O)NCc1ncc[nH]1)N2
Cn2c1ccccc1n3nc(CCC(O)=O)c(=O)nc23	ZINC000000090507	O=c1cnn3c(n1)[nH]c2ccccc23
Nc3nc(N)c2c(c1ccccc1)nc(N)nc2n3	ZINC000000000935	c3ccc(c1ncnc2ncncc12)cc3
C[C@H](O[C@@H]1[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]1O)C(O)=O	ZINC000004521704	C1CCOCC1
COc2cccc([C@@]1(O)CCCC[C@@H]1CN(C)C)c2	ZINC000000000853	C2CCC(c1ccccc1)CC2
NC(=O)CN3c1cccc2cccc(c12)S3(=O)=O	ZINC000000094082	O=S1(=O)Nc2cccc3cccc1c23
CCOC(=O)[C@@]1(C(O)=O)NC(=O)C[C@@H]1c2ccccc2	ZINC000000227794	O=C2CC(c1ccccc1)CN2
CN(C)C(=O)CN2CCC(NC(=O)NCCS(=O)(=O)NC1CC1)CC2	ZINC000598255029	O=C(NCCS(=O)(=O)NC1CC1)NC2CCNCC2
CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@]1C[C@H](C)O[C@H](C)C1	ZINC000655241825	C1COCCN1
CN4CCO[C@@H]3CN(C(=O)Cn2nc1CCCCn1c2=O)C[C@@H]34	ZINC000650093680	O=C(Cn2nc1CCCCn1c2=O)N4CC3NCCOC3C4
Fc2ccc(N1C(=O)COCC1=O)c(F)c2	ZINC000000100994	O=C1COCC(=O)N1c2ccccc2
CC[C@@H]1CCCCN1S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O	ZINC000000092862	O=c2[nH]cc(S(=O)(=O)N1CCCCC1)c(=O)[nH]2
CO[C@@H](CN)C(=O)N1CCN(CCO)CC1	ZINC000227349144	C1CNCCN1
C[N@]4CC[C@@H]3CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC1CC1)C2)C[C@@H]34	ZINC000583917787	O=C(NC1CC1)NC4CCN(C(=O)C(=O)N3CC2CCNC2C3)C4
C[N@]3C[C@H]2CCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@@H]2C3	ZINC000646927822	O=C(CNS(=O)(=O)c1cc[nH]c1)N3CCC2CNCC23
Nc4cc(OCC1CC1)c(C(=O)N[C@H]2CN3CCC2CC3)cc4Cl	ZINC000000000587	O=C(NC1CN2CCC1CC2)c3ccccc3OCC4CC4
COc2ccc(NC(=O)[C@H]1SC(=N)NC(O)=C1)c(OC)c2	ZINC000000177080	N=C2NC=CC(C(=O)Nc1ccccc1)S2
COC(=O)c1ccc(NC(=O)/C=C/C(N)=O)cc1	ZINC000000112217	c1ccccc1
CN(C)S(=O)(=O)CC(=O)NCC1(NC(=O)CS(=O)(=O)N(C)C)CCC1	ZINC000557171362	C1CCC1
Nc2ccn([C@@H]1O[C@H](CO)[C@@H](O)/C1=C\F)c(=O)n2	ZINC000003777826	C=C1CCOC1n2cccnc2=O
NC(=O)c1[nH]nnc1N2CCOCC2	ZINC000004390964	C2CN(c1c[nH]nn1)CCO2
O=C2CCC1(CCC(=O)NC1=O)C(=O)N2	ZINC000001712442	O=C2CCC1(CCC(=O)NC1=O)C(=O)N2
CNC(=O)CN(C)C(=O)C(=O)N1CCNCC1	ZINC000037269374	C1CNCCN1
OC(=O)COc2ccc(n1c(=O)ccc1=O)cc2	ZINC000000176422	O=c1ccc(=O)n1c2ccccc2
C[C@@H](N)CNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000648129724	c1ccccc1
COC(=O)C(C)(C)NC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000332509930	nonring
O=C1CCCN1CCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2	ZINC000570103879	O=C1CCCN1CCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2
CCC[C@@H](O)[C@@H](CO)NC(=O)c2nc1NCCCn1n2	ZINC000616310490	C2CNc1ncnn1C2
CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@@](C)CCOC)c1	ZINC000605246182	c1ccccc1
CN2C(=O)C[C@@H](NC(=O)CC(O)CC(=O)N[C@@H]1CC(=O)N(C)C1=O)C2=O	ZINC000571938174	O=C(CCCC(=O)NC1CC(=O)NC1=O)NC2CC(=O)NC2=O
NS(=O)(=O)C3(C(=O)N2CCN(C(=O)CN1CCOCC1)CC2)CC3	ZINC000583986180	O=C(CN1CCOCC1)N3CCN(C(=O)C2CC2)CC3
COc1ccc(C(=O)C(/Br)=C/C(O)=O)cc1	ZINC000000000093	c1ccccc1
NS(=O)(=O)CCNC(=O)C1CCNCC1	ZINC000036745835	C1CCNCC1
CN2C[C@@H](NC(=O)CN1CCCS1(=O)=O)C(=O)N2	ZINC000349670426	O=C(CN1CCCS1(=O)=O)NC2CNNC2=O
CNS(=O)(=O)CC(=O)N(C)CC(C)(CO)CO	ZINC000332511255	nonring
C[C@@H](O)C[N@]2CCN(C(=O)[C@@H]1CCC(=O)N1)C[C@H]2C	ZINC000174285905	O=C2CCC(C(=O)N1CCNCC1)N2
Cn2c(=O)[nH]c(=O)c3ncn(CC(=O)c1cccs1)c23	ZINC000000392240	O=C(Cn1cnc2c(=O)[nH]c(=O)[nH]c12)c3cccs3
CCn1c(SC(C)C)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000040470	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CNS(=O)(=O)c2cccc(NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c2	ZINC000047454532	O=S(=O)(Nc1ccccc1)c2cc[nH]c2
CNC(=O)CCN(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1	ZINC000652431297	O=C1CNCCN1
C[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](N)C(O)=O	ZINC000031424943	C1CCOCC1
C[C@@H]3CCCN(Cn1cnc2n(C)c(=O)n(C)c(=O)c12)C3	ZINC000000533260	O=c3[nH]c(=O)c2n(CN1CCCCC1)cnc2[nH]3
OC3(NC(=O)Cc1ccccc1)C(=O)c2ccccc2C3=O	ZINC000000103177	O=C(Cc1ccccc1)NC3C(=O)c2ccccc2C3=O
NCCNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1	ZINC000050602057	O=S1(=O)CCCC1
O=C1NC(=O)[C@]3(N1)NC(=O)Nc2ccccc23	ZINC000000002762	O=C1NC(=O)C3(N1)NC(=O)Nc2ccccc23
COC(=O)c1ccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)c(F)c1	ZINC000530533794	c1ccccc1
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)C	ZINC000332428272	nonring
CCN(C[P@@](O)(=O)[C@H]1CCCC[C@H]1O)C(C)=O	ZINC000000196454	C1CCCCC1
O=S(=O)(Nc2nc1ccccc1s2)c3ccccc3	ZINC000000029142	O=S(=O)(Nc2nc1ccccc1s2)c3ccccc3
CC(=O)Nc2ccc(S(=O)(=O)NC1CCCC1)cc2	ZINC000000029140	O=S(=O)(NC1CCCC1)c2ccccc2
CCS(=O)(=O)N(C)CC(=O)NCC(=O)OC	ZINC000332445464	nonring
NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc2ccc(F)cc2	ZINC000000111334	O=C(Cc1ccccc1)NCCc2ccccc2
CCN1[C@@H](O)[C@H](O)N(CC)C1=O	ZINC000000190124	O=C1NCCN1
C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	ZINC000087515509	O=C2CN(CCN1CC(=O)NC(=O)C1)CC(=O)N2
CNS(=O)(=O)NCC(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1	ZINC000561043140	c1ccccc1
NC(=O)Cn1c(=O)[nH]c(=O)c2nc[nH]c12	ZINC000012948272	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
COCCN2CCN(C(=O)C(=O)NCC(=O)N1CCNCC1)C[C@@H]2C	ZINC000561266957	O=C(CNC(=O)C(=O)N1CCNCC1)N2CCNCC2
Cn3c(=O)n(C)c1c(cn2ncccc12)c3=O	ZINC000000099908	O=c3[nH]c(=O)c2cn1ncccc1c2[nH]3
CC(C)(CN1CCOCC1)NC(=O)Cn2cnc(C(N)=O)n2	ZINC000650098210	O=C(Cn1cncn1)NCCN2CCOCC2
NC(=O)c1ccccc1NC(=O)CCC(O)=O	ZINC000000257204	c1ccccc1
CN(CC(=O)N1CCNCC1)C(=O)c2cc(=O)[nH]c(=O)[nH]2	ZINC000038031221	O=C(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)N2CCNCC2
CCNS(=O)(=O)[C@@H]2CCN(C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)C2	ZINC000625593146	O=C(N1CCCC1)C(=O)N2CCOCC2
Cc2nnc(n1cccn1)n2N	ZINC000000053705	c2cnn(c1nnc[nH]1)c2
OC[C@H]1C[C@]1(CO)Cn2ccc(=O)[nH]c2=O	ZINC000003653585	O=c2ccn(CC1CC1)c(=O)[nH]2
CC(=O)OC(OC(C)=O)c1ccc(S(N)(=O)=O)cc1	ZINC000000312392	c1ccccc1
Cc1ccccc1N2CC(=O)N(N)CC2=O	ZINC000000383392	O=C2CN(c1ccccc1)C(=O)CN2
NC(=O)\C=C\C(=O)NCc1ccccc1	ZINC000000201373	c1ccccc1
N/N=C1\CCCc2c1non2=O	ZINC000000341841	N=C1CCCc2c1non2=O
CC(C)NC(=O)n1cc(F)c(=O)[nH]c1=O	ZINC000000046551	O=c1cc[nH]c(=O)[nH]1
CN3C[C@@H](C(=O)N2CCO[C@@H]1CNC[C@@H]12)NC3=O	ZINC000662816546	O=C3NCC(C(=O)N2CCOC1CNCC12)N3
CCc2cc(NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1)n(C)n2	ZINC000628031593	O=C(NC1CNC1)C(=O)Nc2ccn[nH]2
CC1(C)N(CO)C(=O)N(CO)C1=O	ZINC000002033948	O=C1CNC(=O)N1
NC(=O)c1cc(C(N)=O)c(C(N)=O)cc1C(N)=O	ZINC000001609918	c1ccccc1
CCN1CCN(CC(=O)N[C@@H](C)C(N)=O)C(=O)C1=O	ZINC000056585851	O=C1NCCNC1=O
CC(C)C(=O)Nc2ccn([C@H]1C[C@H](O)[C@@H](CO)O1)c(=O)n2	ZINC000000057377	O=c1ncccn1C2CCCO2
COc1cccc(OC)c1C(=O)N2CCC(C(O)=O)CC2	ZINC000000208884	O=C(N1CCCCC1)c2ccccc2
CS(=O)(=O)N2CCN(C(=O)c1ccc(F)cc1)CC2	ZINC000000115652	O=C(N1CCNCC1)c2ccccc2
Cn3c(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c(C#N)c(=O)n(C)c3=O	ZINC000342453990	O=C3NC(=O)C1(CCCC1CNc2cc(=O)[nH]c(=O)[nH]2)N3
COCCOCCC(=O)N1CCN(CC(N)=O)C(=O)C1	ZINC000622690899	O=C1CNCCN1
COC(=O)[C@@H]2[C@@H](c1ccccc1)[C@@H](C(=O)OC)[C@](C)(O)CC2=O	ZINC000000060305	O=C2CCCC(c1ccccc1)C2
CN1CCOC[C@@H]1CNC(=O)N3CCN(C(=O)C(=O)NC2CC2)CC3	ZINC000624737716	O=C(NCC1COCCN1)N3CCN(C(=O)C(=O)NC2CC2)CC3
COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1	ZINC000000134743	c1ccccc1
C[C@@H](NC(=O)CN1CCOCC1=O)C2(S(C)(=O)=O)CC2	ZINC000583338812	O=C(CN1CCOCC1=O)NCC2CC2
NC(=O)N2CCC[C@@H](C(=O)N1CCN(CCO)CC1)C2	ZINC000035187921	O=C(C1CCCNC1)N2CCNCC2
CN(C)c1cccc2c(S(=O)(=O)NN)cccc12	ZINC000000057114	c2ccc1ccccc1c2
COC(CN(C)c1c[nH]c(=O)[nH]c1=O)OC	ZINC000000330582	O=c1cc[nH]c(=O)[nH]1
C[C@@H]2C[N@@](C[C@@H]1CN(C)CCO1)CCN2C(=O)CNS(=O)(=O)N(C)C	ZINC000668350086	C2COC(CN1CCNCC1)CN2
CC[C@H]2N(CC(=O)N1CCNC(=O)C1)CCNC2=O	ZINC000076419207	O=C2CN(CC(=O)N1CCNC(=O)C1)CCN2
CC(CN1CCN(S(N)(=O)=O)CC1)CN2CCN(S(N)(=O)=O)CC2	ZINC000510239838	C(CN1CCNCC1)CN2CCNCC2
Cc1cc(=O)n(C)c(=O)n1CC(=O)N2CCCCCC2	ZINC000000116654	O=C(Cn1ccc(=O)[nH]c1=O)N2CCCCCC2
NC(=O)CN(CC(N)=O)C(=O)CCNS(=O)(=O)c1ccccc1Cl	ZINC000556750098	c1ccccc1
O=c2c1non(=O)c1c(=O)c3non(=O)c23	ZINC000002765798	O=c2c1non(=O)c1c(=O)c3non(=O)c23
CN(C)S(=O)(=O)N2CC(NC(=O)C(=O)Nc1cn(C)c(=O)cc1C)C2	ZINC000628031978	O=C(NC1CNC1)C(=O)Nc2ccc(=O)[nH]c2
COC(=O)C[C@@H]1NC(=O)[C@H](CC(=O)OC)NC1=O	ZINC000004899655	O=C1CNC(=O)CN1
C[C@H](N1CCOCC1)C(=O)N[C@@H]2COC[C@H]2O	ZINC000583944878	O=C(CN1CCOCC1)NC2CCOC2
COCCN(CCOC)S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1	ZINC000625357251	C1CCNC1
COCN1C2C(N(COC)C1=O)N(COC)C(=O)N2COC	ZINC000000548764	O=C2NC1NC(=O)NC1N2
CC(C)(CO)CNc1nc(N)nc(Cl)c1N	ZINC000000021006	c1cncnc1
N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(O)=O	ZINC000001589437	c1c[nH]cn1
NC(=O)C2CCN(C(=O)CSC(=S)N1CCOCC1)CC2	ZINC000000554194	O=C(CSC(=S)N1CCOCC1)N2CCCCC2
CCN2CCN(CC(=O)N1CCN(S(N)(=O)=O)CC1)C(=O)C2=O	ZINC000264663750	O=C(CN1CCNC(=O)C1=O)N2CCNCC2
NC(=O)COc3ccc(\C=c2\sc1=NCCCn1c2=O)cc3	ZINC000000379797	O=c2n1CCCN=c1sc2=Cc3ccccc3
NCC(=O)NCC(=O)NCC(N)=O	ZINC000002561024	nonring
CNS(=O)(=O)NCC(=O)N1CC(O)(CO)C1	ZINC000615433910	C1CNC1
Cn1cnc(S(=O)(=O)NCC(=O)NC(C)(CO)CO)c1	ZINC000357743048	c1c[nH]cn1
COC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O	ZINC000000037697	c1ccccc1
CNC(=O)NC[C@@H]2CN(C(=O)C(=O)N1CCN(C[C@H](C)O)CC1)CCO2	ZINC000625714977	O=C(N1CCNCC1)C(=O)N2CCOCC2
CN(C)S(=O)(=O)N=c1ccc(=NS(=O)(=O)N(C)C)cc1	ZINC000000434497	N=c1ccc(=N)cc1
COc2ccc(OC)c(/C=C/C(=O)NC[C@@H]1CCCO1)c2	ZINC000000037921	O=C(NCC1CCCO1)C=Cc2ccccc2
O=C3C[C@@H](N2C(=O)c1ccccc1S2(=O)=O)[C@H]4CO[C@@H]3O4	ZINC000000098339	O=C3CC(N2C(=O)c1ccccc1S2(=O)=O)C4COC3O4
Cn1c(N(CC=C)CC=C)c(N)c(=O)n(C)c1=O	ZINC000000337859	O=c1cc[nH]c(=O)[nH]1
O=c4n(C[C@@H]1CO1)c(=O)c5cc3c(=O)n(C[C@@H]2CO2)c(=O)c3cc45	ZINC000000158301	O=c4n(CC1CO1)c(=O)c5cc3c(=O)n(CC2CO2)c(=O)c3cc45
O=C(N1CCNCC1)C(=O)N3CCN(S(=O)(=O)N2CCOCC2)CC3	ZINC000423121089	O=C(N1CCNCC1)C(=O)N3CCN(S(=O)(=O)N2CCOCC2)CC3
CCN(CC)CCNC(=O)C(=O)N[C@@H]1CCNC1=O	ZINC000668328094	O=C1CCCN1
NC(=O)[C@@H]2CN(C(=O)C(=O)NCCCN1CCOCC1)CCO2	ZINC000339484481	O=C(NCCCN1CCOCC1)C(=O)N2CCOCC2
CS(=O)(=O)N2CCN(CC#CCN1CCN(S(C)(=O)=O)CC1)CC2	ZINC000530471284	C2CN(CC#CCN1CCNCC1)CCN2
CC(C)(C)NC(=O)CS(=O)(=O)C[C@@H](O)CO	ZINC000332510591	nonring
Cn2nnc(CNC(=O)NCC(=O)N1CCCCC1)n2	ZINC000583907821	O=C(NCC(=O)N1CCCCC1)NCc2nn[nH]n2
COc3ccc2nc(NC(=O)CNC(=O)C1CCCCC1)sc2c3	ZINC000000092077	O=C(CNC(=O)C1CCCCC1)Nc3nc2ccccc2s3
CN3CCN(C(=O)C(=O)N2CCN(C1CC1)CC2)[C@@H](CN)C3	ZINC000643577451	O=C(N1CCNCC1)C(=O)N3CCN(C2CC2)CC3
Cc1c(C(O)=O)cc(C(C)(C)C)n1CCCN2CCOCC2	ZINC000000113744	C(CN1CCOCC1)Cn2cccc2
CCc1ccccc1OCC(=O)Nc2ccc(S(N)(=O)=O)cc2	ZINC000000131362	O=C(COc1ccccc1)Nc2ccccc2
CN(C)C(=O)CCNC(=O)[C@H](N)CCS(C)(=O)=O	ZINC000037751331	nonring
CCn1nncc1CNC(=O)C(=O)N2CCN(CC(=O)NCC=C)CC2	ZINC000625377275	O=C(NCc1cnn[nH]1)C(=O)N2CCNCC2
CN(C)C(=O)CCNC(=O)[C@@H]1C[C@@H](O)CN1	ZINC000037751339	C1CCNC1
OC(=O)[C@@H]2CS[C@@H](c1cc(Br)ccc1O)N2	ZINC000000040042	C2CSC(c1ccccc1)N2
CCN(CCO)C(=O)NCCS(=O)(=O)NC	ZINC000332495567	nonring
CS(=O)(=O)N/N=C/c1cccc(O)c1	ZINC000000251780	c1ccccc1
CCOC(=O)c3sc2ncnc(N1CCN(CC)CC1)c2c3C	ZINC000000109808	C3CN(c1ncnc2sccc12)CCN3
CN2C[C@@H](C(=O)NCCN1C(=O)CNC1=O)NC2=O	ZINC000668718595	O=C2NCC(C(=O)NCCN1C(=O)CNC1=O)N2
Nc2nc(c1ccc(C(O)=O)cc1)cs2	ZINC000000052276	c2ccc(c1cscn1)cc2
CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)N(CCOC)CCC#N	ZINC000410150312	C1CCNC1
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]3[C@H]2CNC[C@H]23	ZINC000648140509	O=C(NC2C1CNCC12)C3CCCN3
CC(C)(CO)NC(=S)NC[C@@H]1CCCO1	ZINC000000072256	C1CCOC1
CNS(=O)(=O)NCC(=O)N1CN(C)C(=O)C1	ZINC000580900496	O=C1CNCN1
CCOC(=O)c1[nH]cnc1C(=O)Nc2ccccn2	ZINC000000275675	O=C(Nc1ccccn1)c2c[nH]cn2
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N2CCNCC2	ZINC000659730669	O=C(NC1CCS(=O)(=O)C1)C(=O)N2CCNCC2
Nc4nc(Cn1c(=O)oc2ccccc12)nc(N3CCOCC3)n4	ZINC000000139609	O=c2oc1ccccc1n2Cc4ncnc(N3CCOCC3)n4
Cc1cc(=O)n(CCO)c(=O)n1CCO	ZINC000003921347	O=c1cc[nH]c(=O)[nH]1
OC[C@@H](O)[C@@H]3O[C@@H](n1cnc2c(=S)[nH]cnc12)[C@@H](O)[C@@H]3O	ZINC000004897571	S=c2[nH]cnc3n(C1CCCO1)cnc23
O[C@@H]2CO[C@H](O)[C@@H](NS(=O)(=O)Cc1ccccc1)[C@H]2O	ZINC000004897576	O=S(=O)(Cc1ccccc1)NC2CCCOC2
CCN(CCCNC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)S(C)(=O)=O	ZINC000556648112	C1CCNC1
CC(=O)OCCCS(=O)(=O)NC[C@H]1CN2CCN1CC2	ZINC000367839297	C1CN2CCN1CC2
CCOC(Cn1ccc(=O)[nH]c1=O)OCC	ZINC000000081624	O=c1cc[nH]c(=O)[nH]1
CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(C)C1=O	ZINC000646959650	O=C1CCCN1
CCOC[C@@H]2CN(C(=O)C(=O)N1C[C@H](O)[C@H](CO)C1)CCO2	ZINC000625743480	O=C(N1CCCC1)C(=O)N2CCOCC2
CNC(=O)CN(C1CCCCC1)S(C)(=O)=O	ZINC000000382707	C1CCCCC1
Oc2ccc(NC(=O)N1CCNC1=O)cc2O	ZINC000000043534	O=C1NCCN1C(=O)Nc2ccccc2
O=c3n(CCS(=O)(=O)Nc1cccc2nsnc12)c(=O)c4ccccc34	ZINC000000969696	O=c3n(CCS(=O)(=O)Nc1cccc2nsnc12)c(=O)c4ccccc34
O=C([C@@H]1CNCCO1)N3CCN(S(=O)(=O)N2CCOCC2)CC3	ZINC000262653417	O=C(C1CNCCO1)N3CCN(S(=O)(=O)N2CCOCC2)CC3
O=C1CCC(=O)N1OC(=O)ON2C(=O)CCC2=O	ZINC000000039222	O=C1CCC(=O)N1OC(=O)ON2C(=O)CCC2=O
CSc1ncc(F)c(N(CCO)CCO)n1	ZINC000000052643	c1cncnc1
CC(C)(C)NS(=O)(=O)CC(=O)N2CC(S(=O)(=O)N1CCNCC1)C2	ZINC000647092133	O=S(=O)(C1CNC1)N2CCNCC2
COc2ccc([C@@H]1NC(=O)N(C)C(C)=C1C(O)=O)cc2	ZINC000000087164	O=C2NC=CC(c1ccccc1)N2
CN1CCOC[C@@H]1CNC(=O)C(=O)NCC(=O)N2CCNCC2	ZINC000627402900	O=C(CNC(=O)C(=O)NCC1COCCN1)N2CCNCC2
CO[C@@](C)(CO)CNC(=O)C(C)(C)NS(C)(=O)=O	ZINC000655214182	nonring
CC(=O)Nc2ccc(S(=O)(=O)Nc1ncccn1)cc2	ZINC000000116952	O=S(=O)(Nc1ncccn1)c2ccccc2
CNS(=O)(=O)CC(=O)N1CC[C@@](OC)(C(=O)OC)C1	ZINC000600289527	C1CCNC1
OC[C@H](N1C(=O)CNC1=S)c2ccccc2	ZINC000000169515	O=C1CNC(=S)N1Cc2ccccc2
COc1cc(=O)n(C)c2c(OC[C@@H](O)C(C)(C)O)cccc12	ZINC000000035532	O=c2ccc1ccccc1[nH]2
NC(=O)CNCC(=O)N1CCOCC1	ZINC000020056916	C1COCCN1
CC(C)(C)c1s[nH]c(=O)c1C[C@H](N)C(O)=O	ZINC000000008933	O=c1ccs[nH]1
NC(=O)COc2ccc(\C=N\n1cnnc1)cc2	ZINC000000581518	C(=Nn1cnnc1)c2ccccc2
COC1=C(OC)C(=O)C(=C)C(C(=O)CCCCC(O)=O)C1=O	ZINC000001585381	C=C1CC(=O)C=CC1=O
C[C@H](O)CN([C@@H](C)CO)C(=O)C(=O)N1C[C@H](C)O[C@@H](C(N)=O)C1	ZINC000625566043	C1COCCN1
NC(=O)C3CCN([C@H]2CC(=O)N(Cc1ccc(Cl)cc1)C2=O)CC3	ZINC000000101140	O=C2CC(N1CCCCC1)C(=O)N2Cc3ccccc3
CCCCS(=O)(=O)NCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N2CCOCC2	ZINC000536361066	O=S2(=O)CCC(N1CCOCC1)C2
CNC(=O)OCc1nc(SC)n(C)c1COC(=O)NC	ZINC000000003975	c1c[nH]cn1
CNC(=O)NC(=O)CSc2nnc(c1ccncc1)n2CC=C	ZINC000000159686	c2cc(c1nnc[nH]1)ccn2
C[C@H]3CN(C(=O)C(=O)N2CC[C@@H]1CNC[C@@H]12)C[C@@H](C)N3CCO	ZINC000643593922	O=C(N1CCNCC1)C(=O)N3CCC2CNCC23
Nc1nc(S(N)(=O)=O)nc2nc[nH]c12	ZINC000004707332	c2ncc1[nH]cnc1n2
NC(=O)CN(CC(N)=O)C(=O)[C@@H]2CCN(C(=O)c1ccccc1)C2	ZINC000625150224	O=C(N1CCCC1)c2ccccc2
Cc1noc(C)c1S(=O)(=O)N2CCOCC2	ZINC000000141946	O=S(=O)(N1CCOCC1)c2cnoc2
CNC(=O)N(C)c1nncnc1C(=O)NC	ZINC000000267660	c1cnncn1
O=C1CCC(=O)N1OC(=O)c3cccc(n2c(=O)ccc2=O)c3	ZINC000000120307	O=C1CCC(=O)N1OC(=O)c3cccc(n2c(=O)ccc2=O)c3
OCCn1c(=O)n(CCO)c(=O)n(CCO)c1=O	ZINC000001718500	O=c1[nH]c(=O)[nH]c(=O)[nH]1
NC(=NN(=O)=O)N(CO)N(CO)C(N)=NN(=O)=O	ZINC000016136368	nonring
O=N(=O)c2ccc(C=CC=c1c(=O)[nH]c(=O)[nH]c1=O)o2	ZINC000000332537	O=c2[nH]c(=O)c(=CC=Cc1ccco1)c(=O)[nH]2
OCCN(CCO)c2nc1ccccc1[nH]2	ZINC000000292931	c2ccc1[nH]cnc1c2
OC[C@@H](O)[C@H]2[C@H](O)[C@@H](O)[C@@H]1CCC[N@]12	ZINC000028651876	C2CC1CCCN1C2
COC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)OC	ZINC000004304458	O=S1(=O)CCCC1
NS(=O)(=O)c2ccc(NC(=O)C[C@@H]1SC(=O)NC1=O)cc2	ZINC000001799007	O=C(CC1SC(=O)NC1=O)Nc2ccccc2
COCCNC(=O)CN2CCN(C(=O)C(=O)NC1CC1)CC2	ZINC000048007666	O=C(NC1CC1)C(=O)N2CCNCC2
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC2CC2	ZINC000000382779	O=C(CNS(=O)(=O)c1ccccc1)NC2CC2
CSc1[nH]nc(N)c1S(=O)(=O)C(C)C	ZINC000000125231	c1cn[nH]c1
NS(=O)(=O)N2CCN(S(=O)(=O)N1CCS(=O)(=O)CC1)CC2	ZINC000609898004	O=S2(=O)CCN(S(=O)(=O)N1CCNCC1)CC2
CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CS)C(N)=O	ZINC000049032725	nonring
NC(=O)Cn2c(S(=O)(=O)Cc1ccccc1)nc3ccccc23	ZINC000000107798	O=S(=O)(Cc1ccccc1)c3nc2ccccc2[nH]3
CCCC[S@@](=N)(=O)CC[C@@H](N)P(O)(O)=O	ZINC000001584386	nonring
CN(Cc1ccccc1)c3nc2c(=O)n(C)c(=O)n(C)c2[nH]3	ZINC000000135603	O=c3[nH]c(=O)c2nc(NCc1ccccc1)[nH]c2[nH]3
CC(=O)N2CC(=O)N\C(=C/c1cccnc1)C2=O	ZINC000000069899	O=C2CNC(=O)C(=Cc1cccnc1)N2
NCC(=O)NCC(=O)ON1C(=O)CCC1=O	ZINC000196964729	O=C1CCC(=O)N1
CC[C@@H](C)Cn1c(=O)n(C)c(=O)c2nc(C)[nH]c12	ZINC000000000831	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
CC[N@@](C)C[C@@H]2CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2	ZINC000646882502	O=C2CC(C(=O)N1CCCC1)NC(=O)N2
CNS(=O)(=O)N2CCN(C(=O)NCCN1CCNC(=O)C1)CC2	ZINC000664624815	O=C2CN(CCNC(=O)N1CCNCC1)CCN2
CN(C)CCn1ccc(NC(=O)NCC(=O)NCCO)n1	ZINC000676180715	c1cn[nH]c1
Cc1c(C(N)=O)nnn1c2nonc2N	ZINC000000967434	c2cn(c1cnon1)nn2
CN(C)C(=O)CN2CCN(C(=O)CN1CC(=O)NC1=O)CC2	ZINC000600928856	O=C2CN(CC(=O)N1CCNCC1)C(=O)N2
COC(=O)c2cnn(CC(=O)NCCC[N@]1CCC[C@H]1C(N)=O)c2	ZINC000600234346	O=C(Cn1cccn1)NCCCN2CCCC2
COC(=O)[C@H]1C[C@@H]1C(=O)NCCC[N@]2CCC[C@H]2C(N)=O	ZINC000600234347	O=C(NCCCN1CCCC1)C2CC2
Nc1nnnn1/N=C/c3ccc(N2CCOCC2)cc3	ZINC000000074346	C3CN(c2ccc(C=Nn1cnnn1)cc2)CCO3
CC[N@@](C)C[C@@H](O)CN1CCN2C(C1)N=NC2=O	ZINC000516781811	O=C2N=NC1CNCCN12
Cc1c(O)ccc2c(CC(N)=O)cc(=O)oc12	ZINC000000082392	O=c2ccc1ccccc1o2
CC(=O)NOC[C@H]1NC(=O)[C@H](CONC(C)=O)NC1=O	ZINC000017141086	O=C1CNC(=O)CN1
CN(C)S(=O)(=O)CCN1CCNC(=O)C1	ZINC000407948218	O=C1CNCCN1
CCO[C@@]2(O)C(=O)c1ccccc1C(=O)[C@]2(O)OCC	ZINC000000192431	O=C1CCC(=O)c2ccccc12
O=C(CNC[C@@H]1CCOC1)N[C@@H]2CCS(=O)(=O)C2	ZINC000002458628	O=C(CNCC1CCOC1)NC2CCS(=O)(=O)C2
OC[C@@H]1O[C@H](O)C[C@H](O)[C@H]1O	ZINC000000388473	C1CCOCC1
CN(C)CC(C)(C)CNC(=O)CNC(N)=O	ZINC000332508794	nonring
CS(=O)(=O)NC2CN(C(=O)COCC(=O)N1CC(NS(C)(=O)=O)C1)C2	ZINC000628800032	O=C(COCC(=O)N1CCC1)N2CCC2
CN2C(=O)[C@@H]1C=CC=C[C@@H]1N=C2SCC(N)=O	ZINC000000133769	O=C2NC=NC1C=CC=CC12
CNC(=O)c3cc(S(=O)(=O)N2CCN1[C@H](CNC(=O)C1=O)C2)cn3C	ZINC000427802790	O=C3NCC2CN(S(=O)(=O)c1cc[nH]c1)CCN2C3=O
CS(=O)(=O)NC2=NCN(CCCN1CCOCC1)CN2	ZINC000040387262	C(CN1CCOCC1)CN2CNC=NC2
Cn1c(N)c(C=O)c(=O)n(C)c1=O	ZINC000000164342	O=c1cc[nH]c(=O)[nH]1
CC3=C(C(N)=O)[C@@H](c1ccc(N(=O)=O)cc1)n2[nH]nnc2=N3	ZINC000000071493	C3=CC(c1ccccc1)n2[nH]nnc2=N3
OC(=O)[C@H]2[C@@H]1C[C@@H](C=C1)[C@@H]2C(=O)NCc3ccccn3	ZINC000000355465	O=C(NCc1ccccn1)C2CC3CC2C=C3
Cc2ccc(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)cc2	ZINC000000098294	O=C(Nc1ccccc1)c2cc(=O)[nH]c(=O)[nH]2
CCCn1c(=NN)[nH]c2n(C)c(=O)n(C)c(=O)c12	ZINC000000351111	N=c2[nH]c1[nH]c(=O)[nH]c(=O)c1[nH]2
CNS(=O)(=O)NCC(=O)N[C@H](C)C(=O)OC	ZINC000332500688	nonring
CN(C)/N=C/c1cn(C)c(=O)n(C)c1=O	ZINC000001650479	O=c1cc[nH]c(=O)[nH]1
COc2cc1c(C(O)=O)cn(C)c(=O)c1cc2OC	ZINC000000211632	O=c1[nH]ccc2ccccc12
C[C@H]1N(C(=O)CNS(=O)(=O)N(C)C)CN(C)C1=O	ZINC000616498374	O=C1CNCN1
CC(=O)Nc2ccc(c1cn(CC(N)=O)cn1)cc2	ZINC000000099748	c2ccc(c1c[nH]cn1)cc2
C[C@H](N1CCNCC1=O)C(=O)N(C)CC(=O)N2CCNCC2	ZINC000637811501	O=C(CN1CCNCC1=O)NCC(=O)N2CCNCC2
COc1ccc(C(\C)=C/C(O)=O)c(OC)c1	ZINC000000001303	c1ccccc1
CN(C)c3ccc(Cn1cnc2n(C)c(=O)n(C)c(=O)c12)cc3	ZINC000000001301	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
COc1ccc3c(c1)nnc2n[nH]c(=O)n23	ZINC000000133549	O=c2[nH]nc3nnc1ccccc1n23
CCC[C@@H](OC(C)=O)C#CCN1CCCCC1	ZINC000000051743	C1CCNCC1
O=C(Nc1ncccn1)c2ccccc2C(=O)Nc3ncccn3	ZINC000000036984	O=C(Nc1ncccn1)c2ccccc2C(=O)Nc3ncccn3
Cn1ncc(N(=O)=O)c1C(=O)n2cccn2	ZINC000000268818	O=C(c1ccn[nH]1)n2cccn2
NCC(=O)NCC(=O)N1CCC(O)CC1	ZINC000037481795	C1CCNCC1
O=c2n1CCCN=c1s\c2=C/c3ccco3	ZINC000000257816	O=c2n1CCCN=c1sc2=Cc3ccco3
CNS(=O)(=O)CC(=O)NC(C)(C)CCO	ZINC000332438154	nonring
CN([C@H]1CNC[C@@H]1O)C(=O)C(=O)N[C@H]3CN(C2CC2)C(=O)C3	ZINC000419166323	O=C2CC(NC(=O)C(=O)NC1CCNC1)CN2C3CC3
CC(C)(C)C(=O)NC[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000028120759	C1CCOCC1
CC(=O)c1nnn(CC(N)=O)c1C	ZINC000000141116	c1c[nH]nn1
CCOC(=O)c1ccc(S(C)(=O)=O)c(C)c1O	ZINC000000040457	c1ccccc1
C[C@H](SC(=O)c1cccs1)C(=O)NCC(=O)N2CSC[C@@H]2C(O)=O	ZINC000001537725	O=C(CSC(=O)c1cccs1)NCC(=O)N2CCSC2
Cc3ccc(c2noc(CN(Cc1ccco1)S(C)(=O)=O)n2)cc3	ZINC000000033617	C(NCc2nc(c1ccccc1)no2)c3ccco3
CN2[C@@H](c1ccccc1)C(=O)C(=NC(C)=O)N2C	ZINC000000406225	N=C2NNC(c1ccccc1)C2=O
N[C@@H]3C[C@@H]2CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)CCN2C3=O	ZINC000594879267	O=C3CCC2CN(C(=O)C1CCCNC1)CCN23
Cc2[nH]c(N)nc3nc(=O)n(c1ccccc1)c(=O)c23	ZINC000000301212	O=c2nc1nc[nH]cc1c(=O)n2c3ccccc3
CN2CC[C@@H](C(=O)NC1(C)CCNCC1)S2(=O)=O	ZINC000648127177	O=C(NC1CCNCC1)C2CCNS2(=O)=O
C[C@@H](CNC(=O)C(=O)N1CCNC(=O)[C@H]1C)S(N)(=O)=O	ZINC000439186360	O=C1CNCCN1
COCC[N@@](C)CC(=O)N2CCN(Cc1ncccn1)C[C@H](O)C2	ZINC000097674160	C2CNCCN(Cc1ncccn1)C2
COC(=O)[C@@H](CS(N)(=O)=O)NC(C)=O	ZINC000005160447	nonring
Cc2ccc(S(=O)(=O)c1cn(C)c(=O)n1C)cc2	ZINC000000053935	O=c2[nH]cc(S(=O)(=O)c1ccccc1)[nH]2
CCOC(=O)[C@@H](C(N)=O)[C@@]2(O)OC(c1ccccc1)=CC2=O	ZINC000000290274	O=C2COC(c1ccccc1)=C2
OCCNC(=O)C(=O)NC[C@@H]1CCCO1	ZINC000002477718	C1CCOC1
Cc2cn(CC(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O)c(=O)[nH]c2=O	ZINC000222842044	O=C(Cn1ccc(=O)[nH]c1=O)NC2CCCOC2
CCOC(=O)C1(F)S(=O)(=O)OCCOS1(=O)=O	ZINC000001641884	O=S1(=O)CS(=O)(=O)OCCO1
Cn1cncc1C[C@H](NC(=O)CCN)C(O)=O	ZINC000001532910	c1c[nH]cn1
CCCC(=O)NCC(=O)N1CCN(CC(N)=O)C(=O)C1	ZINC000622690599	O=C1CNCCN1
CCN1C2C(N(C)C1=O)N(C)C(=O)N2CC	ZINC000000096926	O=C2NC1NC(=O)NC1N2
O=C3N[C@@H]2NC(=O)N(c1ccccc1)[C@H]2N3	ZINC000000096929	O=C3NC2NC(=O)N(c1ccccc1)C2N3
CN2CCN(S(=O)(=O)N1CCN(CCCC(=O)NC(N)=O)CC1)CC2	ZINC000609203447	O=S(=O)(N1CCNCC1)N2CCNCC2
CNC(=O)[C@@H](CO)NS(=O)(=O)c2cccc(S(=O)(=O)NC1CC1)c2	ZINC000460474658	O=S(=O)(NC1CC1)c2ccccc2
CS(=O)(=O)N2CCN(S(=O)(=O)NCC[N@]1CCC=CC1)CC2	ZINC000530483578	O=S(=O)(NCCN1CCC=CC1)N2CCNCC2
O[C@@H]1[C@@H]3CO[C@H]1[C@H](n2cc(F)c(=O)[nH]c2=O)O3	ZINC000005759102	O=c3ccn(C1OC2COC1C2)c(=O)[nH]3
C[C@@H]3CN(C(=O)C(=O)N2CCO[C@@H]([C@@H]1CCCO1)C2)CCN3	ZINC000643548218	O=C(N1CCNCC1)C(=O)N3CCOC(C2CCCO2)C3
NC[C@H]2O[C@@H](n1cc(CO)c(=O)[nH]c1=O)C[C@@H]2O	ZINC000072133443	O=c2ccn(C1CCCO1)c(=O)[nH]2
Cn3c(=O)n(C)c2ncn(CC(=O)NC1CC1)c2c3=O	ZINC000000412899	O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c12)NC3CC3
COC[C@H]1CN(C(NCCNS(C)(=O)=O)=NC)CCO1	ZINC000261775983	C1COCCN1
CN(C)CCN2CCN(C(=O)Cn1cnc(C(N)=O)n1)CC2=O	ZINC000650310004	O=C2CN(C(=O)Cn1cncn1)CCN2
NCC1(C(=O)N(CC(N)=O)CC(N)=O)CCOCC1	ZINC000061808588	C1CCOCC1
CN(C)S(=O)(=O)CC(=O)NCC2(N1CCOCC1)CCOCC2	ZINC000622690047	C2CC(N1CCOCC1)CCO2
Cn2c(n1ccnc1)nc3n(C)c(=O)n(C)c(=O)c23	ZINC000000079931	O=c3[nH]c(=O)c2[nH]c(n1ccnc1)nc2[nH]3
Cc2ccc(N(CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O)cc2	ZINC000000331616	O=C(CNc1ccccc1)NCC2CCCO2
Nc2ccc1n(CCO)c(CO)nc1c2	ZINC000000241042	c2ccc1[nH]cnc1c2
CCNC(=O)CN(C)C(=O)[C@]12CNC[C@H]1COC2	ZINC000653074365	C1NCC2COCC12
CC2(C)OC(=O)N(CCN1C(=O)OC(C)(C)[C@@]1(C)O)[C@]2(C)O	ZINC000000049492	O=C1OCCN1CCN2CCOC2=O
CN([C@@H]1CNC[C@H]1O)C(=O)c2c[nH]c(=O)[nH]2	ZINC000036261000	O=C(NC1CCNC1)c2c[nH]c(=O)[nH]2
NS(=O)(=O)c2ccc(Cc1ccc(S(N)(=O)=O)cc1)cc2	ZINC000000197450	C(c1ccccc1)c2ccccc2
CC[N@]2CCO[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C2	ZINC000672437014	O=C(NCC1CNCCO1)C(=O)N2CCOCC2
CN(C)c1nc(N)nc(ON=C(C)C)n1	ZINC000000188887	c1ncncn1
CS(=O)(=O)N[C@@H]1CCN(CC(=O)NCC=C)C1	ZINC000116890704	C1CCNC1
O=C(NCc1ccccn1)\C=C\C(=O)c2cccc(N(=O)=O)c2	ZINC000000035258	O=C(NCc1ccccn1)C=CC(=O)c2ccccc2
CN2CC[C@@H](NS(=O)(=O)c1ccn(C)n1)C2=O	ZINC000517736469	O=C1NCCC1NS(=O)(=O)c2cc[nH]n2
CN2C(=O)[C@@](O)(N1CCOCC1)c3ccccc23	ZINC000000086154	O=C2Nc1ccccc1C2N3CCOCC3
O[C@@H]1CC[N@]2C[C@H](O)[C@H](O)[C@H](O)[C@H]12	ZINC000001612534	C2CCN1CCCC1C2
CC(C)NS(=O)(=O)NCCNC(=O)NCCC(=O)N1CCN(C)CC1	ZINC000428748704	C1CNCCN1
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N2C[C@@H](O)C[C@H]2C(N)=O	ZINC000255962063	O=C(C1CCCN1)N2CCCC2
CN3CCN(S(=O)(=O)c2ccc1OCC(=O)Nc1c2)[C@@H](CN)C3	ZINC000321446757	O=C3COc2ccc(S(=O)(=O)N1CCNCC1)cc2N3
COCC(=O)NCCNS(=O)(=O)NC(C)C	ZINC000332441724	nonring
CN(CC(=O)N1CCNCC1)C(=O)CCNC(=O)[C@@H]2CCCN2	ZINC000570446489	O=C(CCNC(=O)C1CCCN1)NCC(=O)N2CCNCC2
OC[C@]2(N=N#N)O[C@@H](n1ccc(=O)[nH]c1=O)[C@@H](O)[C@@H]2O	ZINC000029233386	O=c2ccn(C1CCCO1)c(=O)[nH]2
CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC(NS(C)(=O)=O)C1	ZINC000600324140	C1CNC1
O=C(N1CCNCC1)c2ccc(N(=O)=O)cc2	ZINC000000091809	O=C(N1CCNCC1)c2ccccc2
COC(=O)C[C@H](N)C(=O)N2CCN(C(=O)C(=O)N1CCOCC1)CC2	ZINC000518367366	O=C(N1CCNCC1)C(=O)N2CCOCC2
C[C@@H](CO)NC(=O)CCS(=O)(=O)N(C)C	ZINC000332432978	nonring
CNS(=O)(=O)c1ccccc1S(=O)(=O)c2ccccc2C(O)=O	ZINC000001044319	O=S(=O)(c1ccccc1)c2ccccc2
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cn2nc(C)n(C)c2=O	ZINC000617869248	O=C(Cn1nc[nH]c1=O)NC2CCS(=O)(=O)C2
NC(=S)NN=Cc1c[nH]c(=O)[nH]c1=O	ZINC000001615549	O=c1cc[nH]c(=O)[nH]1
O=C(NCc1cccnc1)N2CCOCC2	ZINC000000152044	O=C(NCc1cccnc1)N2CCOCC2
CSCC[C@H](NC(=O)CN1CCOCC1=O)C(N)=O	ZINC000600262652	O=C1COCCN1
Cc2cc(Cl)c(S(=O)(=O)NCc1cccnc1)cc2OCC(N)=O	ZINC000000645303	O=S(=O)(NCc1cccnc1)c2ccccc2
NC(NCCN1CCNC1=NN(=O)=O)=NN(=O)=O	ZINC000004619366	N=C1NCCN1
COc1ccccc1NC(=O)CN(c2ccccc2C)S(C)(=O)=O	ZINC000000068208	O=C(CNc1ccccc1)Nc2ccccc2
CS(=O)(=O)N1CCC[C@@H]1C(=O)N2CC(O)C2	ZINC000062809061	O=C(C1CCCN1)N2CCC2
CN1CCN(C(=O)CCNC(=O)NCCCN(C)S(C)(=O)=O)CC1	ZINC000046226853	C1CNCCN1
C[N@@](CCNC(=O)C(=O)Nc2ccc(N1CCNC(=O)C1)nc2)C3CC3	ZINC000605243488	O=C3CN(c2ccc(NC(=O)C(=O)NCCNC1CC1)cn2)CCN3
O=S(=O)(Cc1ccccc1)N(CC#N)CC#N	ZINC000000029820	c1ccccc1
CCN3CCN(c2cc(=O)n(c1ccc(OC)cc1)c(=O)[nH]2)CC3	ZINC000000252560	O=c2cc(N1CCNCC1)[nH]c(=O)n2c3ccccc3
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c2ccc(OCC(N)=O)cc2	ZINC000000624320	N2C=CC(c1ccccc1)C=C2
COC[C@@H](C)N(C)C(=O)CN1CCNCC1=O	ZINC000583933226	O=C1CNCCN1
CS(=O)(=O)N2CCC[C@H](C(=O)NC[C@H]1CCCO1)C2	ZINC000000219477	O=C(NCC1CCCO1)C2CCCNC2
CNS(=O)(=O)NCC(=O)N1CCNC(=O)[C@@H]1C	ZINC000407997088	O=C1CNCCN1
Nc1nnnn1CC(=O)Nc2ccc(F)cc2	ZINC000000350928	O=C(Cn1cnnn1)Nc2ccccc2
Cn3c(=O)n(C)c2ncn(CC(=O)NCCN1CCC1)c2c3=O	ZINC000533569985	O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c12)NCCN3CCC3
CNS(=O)(=O)N1CC(=O)NC[C@@H]1C(=O)OC	ZINC000352070385	O=C1CNCCN1
O=C(N(CC#N)CC#N)c1ccc(N(=O)=O)cc1	ZINC000000101940	c1ccccc1
O=C(NCCN1CCCS1(=O)=O)[C@@H]2CNCCOC2	ZINC000643668559	O=C(NCCN1CCCS1(=O)=O)C2CNCCOC2
CCNc3nc(N1CCOCC1)nc(n2nnc(C(C)=O)c2C)n3	ZINC000000054443	C3CN(c2ncnc(n1ccnn1)n2)CCO3
Cc2ccc(N[C@@H](C(N)=O)c1c(C)[nH]c(=O)[nH]c1=O)cc2	ZINC000000619537	O=c2[nH]cc(CNc1ccccc1)c(=O)[nH]2
CO[C@@H]2O[C@@H](C)[C@@H](OCc1ccccc1)[C@H](O)[C@@H]2O	ZINC000000061538	C2COCC(OCc1ccccc1)C2
CC(C)Nc1nc(NC(C)C)nc(N(C#N)[C@@H](C)C(=O)N(C)C)n1	ZINC000000366111	c1ncncn1
NC(=O)CNC(=O)CSc1ccccn1	ZINC000000039880	c1ccncc1
COC[C@@H](N)C(=O)N(C)CC(=O)N1CCNCC1	ZINC000517735651	C1CNCCN1
CCNC(=S)N3CCN(c2nc1c(=O)n(C)c(=O)n(C)c1[nH]2)CC3	ZINC000001406399	O=c3[nH]c(=O)c2nc(N1CCNCC1)[nH]c2[nH]3
CN(CC(=O)N1CCNCC1)C(=O)Cn2ncn(C)c2=O	ZINC000575280896	O=C(Cn1nc[nH]c1=O)NCC(=O)N2CCNCC2
Cc1cn(CO)c(=O)n(CO)c1=O	ZINC000000484617	O=c1cc[nH]c(=O)[nH]1
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)NCCCC(O)=O)C1	ZINC000497127188	C1CCNCC1
Cn1ccnc1SCC(=O)N2CCOCC2	ZINC000000105682	O=C(CSc1ncc[nH]1)N2CCOCC2
COC[C@@]2(C(=O)NCC(=O)N1CCNCC1)CCNC2	ZINC000566099378	O=C(CNC(=O)C1CCNC1)N2CCNCC2
COc1cc(C)nc(N(CCO)CCO)n1	ZINC000000040202	c1cncnc1
Cc1nc(N(=O)=O)cn1CC(=O)NCc2ccccc2	ZINC000000088446	O=C(Cn1ccnc1)NCc2ccccc2
Cn1nccc1C(=O)NCCN2C(=O)OC(C)(C)[C@@]2(C)O	ZINC000000140357	O=C1OCCN1CCNC(=O)c2ccn[nH]2
CC(C)Nc2nc(NCCO)nc(NCC[N@]1CC[C@@H](O)C1)n2	ZINC000624682501	C2CCN(CCNc1ncncn1)C2
Cc1cc(NNS(C)(=O)=O)nc(=NNS(C)(=O)=O)[nH]1	ZINC000003121506	N=c1nccc[nH]1
CC2(C(=O)NCCn1ncnn1)CNC2	ZINC000399464286	O=C(NCCn1ncnn1)C2CNC2
O=C(Nn2c(=S)[nH]c1ccccc1c2=O)c3cccc(N(=O)=O)c3	ZINC000000037014	O=C(Nn2c(=S)[nH]c1ccccc1c2=O)c3ccccc3
O[C@H]1CNC[C@H]1CNC(=O)Cn2cc(N(=O)=O)ccc2=O	ZINC000262333270	O=C(Cn1ccccc1=O)NCC2CCNC2
NC(=O)CCn2c(=O)c1ccccc1c2=O	ZINC000000077470	O=c1[nH]c(=O)c2ccccc12
Cn2c(=O)[nH]c(=O)c3n(Cc1ccccc1)c(SCC(N)=O)nc23	ZINC000000332390	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
NC(=O)c1ncn2[C@H]3O[C@@H](CNc12)[C@@H](O)[C@@H]3O	ZINC000005545529	C1CC2OC1CNc3cncn23
Nc2n[nH]c(N[C@@H]1CCCCNC1=O)n2	ZINC000000141587	O=C1NCCCCC1Nc2ncn[nH]2
COCCNC(=O)CN2CCN(C(=O)C1(O)CNC1)CC2	ZINC000662670654	O=C(C1CNC1)N2CCNCC2
O=C(CSc1nc[nH]n1)NCc2n[nH]c(=O)c3ccccc23	ZINC000000034288	O=C(CSc1nc[nH]n1)NCc2n[nH]c(=O)c3ccccc23
CCOc2cc1[nH]c(=O)n(CC(OC)OC)c(=O)c1cc2OCC	ZINC000000424194	O=c2[nH]c(=O)c1ccccc1[nH]2
CC(=O)NC[C@@H]2CN1[C@H](CC1=O)O2	ZINC000000006414	O=C2CC1OCCN12
CC(C)n1c(=NN)[nH]c2n(C)c(=O)[nH]c(=O)c12	ZINC000000265492	N=c2[nH]c1[nH]c(=O)[nH]c(=O)c1[nH]2
CNCC(=O)N1CCN(C(=O)CN(C)C)CC1	ZINC000037819226	C1CNCCN1
Cn2c(=O)[nH]c(=O)c3n(CCc1ccccc1)c(NN)nc23	ZINC000000265494	O=c3[nH]c(=O)c2n(CCc1ccccc1)cnc2[nH]3
COc2ccc([C@@H](Sc1ccccc1N)[C@H](O)C(O)=O)cc2	ZINC000000025104	C(Sc1ccccc1)c2ccccc2
CN(C)CC(=O)N2CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)CC2	ZINC000651090934	O=C(C1CCS(=O)(=O)N1)N2CCNCC2
O[C@@H](CNC[C@H]1CCS(=O)(=O)C1)CN2CCOCC2	ZINC000037982410	O=S2(=O)CCC(CNCCCN1CCOCC1)C2
Cc2ccc(n1nnnc1S(C)(=O)=O)c(C)c2	ZINC000000112891	c2ccc(n1cnnn1)cc2
COC[C@@H](C)C(=O)NCCC(=O)NC(N)=O	ZINC000332441116	nonring
COC(=O)[C@@H](CO)NC(=O)c1ccc(OCC(N)=O)cc1	ZINC000035163988	c1ccccc1
CC(C)C(=O)NC(=S)N1CCOCC1	ZINC000000081645	C1COCCN1
O=C3CSC(N2CCN(C1=NC(=O)CS1)CC2)=N3	ZINC000000094714	O=C3CSC(N2CCN(C1=NC(=O)CS1)CC2)=N3
COC[C@@H](C)S(=O)(=O)NC2CCN(S(=O)(=O)N1CCOCC1)CC2	ZINC000605319611	O=S(=O)(N1CCCCC1)N2CCOCC2
COC(=O)CN2CCN1CC(=O)NC(=O)[C@@H]1[C@@H]2C(N)=O	ZINC000028762658	O=C2CN1CCNCC1C(=O)N2
CN([C@@H]1CNC[C@H]1O)S(=O)(=O)N2CCOCC2	ZINC000036266912	O=S(=O)(NC1CCNC1)N2CCOCC2
Nc2c(C(=O)Nc1ccccn1)nnc3ncnn23	ZINC000000479925	O=C(Nc1ccccn1)c3cn2ncnc2nn3
COC(=O)[C@@H](NC(=O)[C@@H]1CNCCO1)C2CC2	ZINC000370763100	O=C(NCC1CC1)C2CNCCO2
COC(=O)CSc2nnc(c1ccccc1)n2N	ZINC000000149763	c2ccc(c1nnc[nH]1)cc2
Cc2c(NC(N)=S)c(=O)n(c1ccccc1)n2C	ZINC000000087145	O=c1cc[nH]n1c2ccccc2
NC(=O)[C@@H]1CCC[N@]1CCCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2	ZINC000557466460	O=S(=O)(NCCCN1CCCC1)c2ccccc2
O=C2CNC(=O)[C@@H](C(=O)NCC(=O)N1CCCCC1)N2	ZINC000644149487	O=C2CNC(=O)C(C(=O)NCC(=O)N1CCCCC1)N2
Cc2nn(C)c(N1CCOCC1)c2C=O	ZINC000000158910	C2CN(c1ccn[nH]1)CCO2
COC(=O)CNC(=O)Cn2ccc1ccccc1c2=O	ZINC000000211593	O=c1[nH]ccc2ccccc12
CO[C@@H]2CC[N@]([C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C2	ZINC000628006389	C2CCC(N1CCCC1)C2
COCCNC(=O)CNC(=O)[C@@H]1CNCCOC1	ZINC000643623650	C1CNCCOC1
COC(=O)c2ccc(S(=O)(=O)N1CCC(O)CC1)n2C	ZINC000000119708	O=S(=O)(N1CCCCC1)c2ccc[nH]2
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O	ZINC000002530804	c1ccccc1
O[C@@H]2CN[C@H](C(=O)N1CCNCC1)C2	ZINC000035728211	O=C(C1CCCN1)N2CCNCC2
CS(=O)(=O)NCc1ccc(C(N)=O)cc1	ZINC000000111276	c1ccccc1
CC(=O)N[C@@H](O)C(=O)c1cccs1	ZINC000000190711	c1ccsc1
Cc2ccc(S(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O)cc2C	ZINC000000087722	O=S(=O)(NCCc1ccccc1)c2ccccc2
CS(=O)(=O)N3CCC(C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2)CC3	ZINC000647092379	O=C(C1CCNCC1)N3CC(S(=O)(=O)N2CCNCC2)C3
CC(C)OC(=O)CSc2nc1n(C)c(=O)[nH]c(=O)c1n2C	ZINC000000497238	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
Cc1c(N(=O)=O)c(=O)n(C)c(=O)n1C	ZINC000000198862	O=c1cc[nH]c(=O)[nH]1
CCS(=O)(=O)NCC(=O)N(C)CC(=O)NC(C)C	ZINC000332457330	nonring
O[C@@H]2CN[C@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)C2	ZINC000038083766	O=C(NCC1CCS(=O)(=O)C1)C2CCCN2
CS(=O)(=O)OC[C@H]1NC(=O)[C@H](COS(C)(=O)=O)NC1=O	ZINC000104190609	O=C1CNC(=O)CN1
N[C@@H]1C[C@@H]1C(=O)N2CCN(S(N)(=O)=O)CC2	ZINC000050464292	O=C(C1CC1)N2CCNCC2
Cc1nc(NN)[nH]c(=O)c1CCO	ZINC000002243963	O=c1ccnc[nH]1
O=C(CN1CCNCC1=O)NCC(=O)N2CCOCC2	ZINC000646293977	O=C(CN1CCNCC1=O)NCC(=O)N2CCOCC2
COC(=O)CNc1cc[nH]c(=O)c1C#N	ZINC000000218718	O=c1cccc[nH]1
CC(C)[C@H]2CN(C(=O)C(=O)N[C@@H](C)Cn1cncn1)CCN2	ZINC000642693315	O=C(NCCn1cncn1)C(=O)N2CCNCC2
C[C@@H](CNC(=O)NC[C@@H]1COCCN1C)S(N)(=O)=O	ZINC000624738772	C1COCCN1
Cn2c(=O)[nH]c(=O)c3ncn(Cc1ccccc1)c23	ZINC000000209525	O=c3[nH]c(=O)c2ncn(Cc1ccccc1)c2[nH]3
CNC(=O)[C@@H](C)N(C)CC(=O)N1CCNCC1	ZINC000038031570	C1CNCCN1
CN2C(=O)C[C@@H](NS(=O)(=O)C1COC1)C2=O	ZINC000287232497	O=C2CC(NS(=O)(=O)C1COC1)C(=O)N2
C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(N)=O	ZINC000006032450	O=C1CCCN1
C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(N)=O	ZINC000049046210	nonring
C[S@](=O)CCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000001726536	c1ccccc1
CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)/C=C/C(O)=O	ZINC000002087514	c1ccsc1
CCOC(=O)[C@@]1(C#N)[C@@H](C)C(OC)(OC)C1(OC)OC	ZINC000000340805	C1CCC1
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC(=O)N2CCNCC2	ZINC000569843780	O=C(CNS(=O)(=O)c1cn[nH]c1)NCC(=O)N2CCNCC2
Cn2c(=O)n(C)c1[nH]c(=O)/c(=N\NC(N)=S)c1c2=O	ZINC000017918505	N=c1c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12
COc3cc(OC)cc(n2c(=O)c1nccnc1c2=O)c3	ZINC000000068927	O=c2n(c1ccccc1)c(=O)c3nccnc23
COC(=O)CSc1nnnn1c2ccccc2O	ZINC000000107931	c2ccc(n1cnnn1)cc2
CC(=O)CC(=O)N1CCC(C(N)=O)CC1	ZINC000000432421	C1CCNCC1
OCC3(O)CN(C(=O)[C@H]2CC[C@@H](C(=O)N1CC(O)(CO)C1)O2)C3	ZINC000615435087	O=C(C2CCC(C(=O)N1CCC1)O2)N3CCC3
CN1CCN(C[C@@H](N)C(N)=O)CC1=O	ZINC000127940635	O=C1CNCCN1
COc1ccccc1OCC(=O)N2CCN(C=O)CC2	ZINC000000307532	O=C(COc1ccccc1)N2CCNCC2
CNS(=O)(=O)CC(=O)N(C)CC(=O)N1CCNCC1	ZINC000428193506	C1CNCCN1
CCN(CC)CCn1c(=N)n(CCO)c2ccccc12	ZINC000000305750	N=c2[nH]c1ccccc1[nH]2
CS(=O)(=O)CC[C@H](NC(=O)C1=C[C@@H](N)[C@@H](O)[C@H](O)C1)C(N)=O	ZINC000067879738	C1CCC=CC1
CN([C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)c2nc[nH]n2	ZINC000005674957	O=C(NC1CCCCO1)c2nc[nH]n2
CC(=O)Nn1cnc(=O)c(C#N)c1	ZINC000000001142	O=c1cc[nH]cn1
CNC(=O)CN(C)S(=O)(=O)CCOC	ZINC000332458332	nonring
OC(=O)[C@@H](CC(=O)c1ccc(F)cc1)NCc2ccco2	ZINC000000049113	O=C(CCNCc1ccco1)c2ccccc2
O=C2CN(C(=O)CN1C(=O)CNC1=O)CCN2	ZINC000062851098	O=C2CN(C(=O)CN1C(=O)CNC1=O)CCN2
C[N@]1CC[C@@](N)(C(=O)NCC(C)(C)NS(C)(=O)=O)C1	ZINC000643689648	C1CCNC1
CN(C)S(=O)(=O)CCC(=O)NCCCO	ZINC000332497414	nonring
C[C@@H](N)C(=O)N1CCOCCOCCOCC1	ZINC000005004283	C1COCCOCCOCCN1
Cc2cc(=O)oc3cc(OCC(=O)NC1=NC(=O)CS1)ccc23	ZINC000000048443	O=C(COc2ccc1ccc(=O)oc1c2)NC3=NC(=O)CS3
Cc2nn(CC(=O)NCC(=O)N1CCNCC1)c(=O)n2C	ZINC000655413871	O=C(Cn1nc[nH]c1=O)NCC(=O)N2CCNCC2
Cc2cc(=O)n1nc(C)c(=O)n(N)c1n2	ZINC000000480582	O=c2cnn1c(=O)ccnc1[nH]2
CN2CC(CN(C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2	ZINC000618190133	O=C(NCC1CNC1)C2=CCCCC2
CN(CC(=O)N1CCNCC1)C(=O)CN2CCNCC2	ZINC000637811078	O=C(CN1CCNCC1)NCC(=O)N2CCNCC2
Cn2cc(C#N)c(=O)n(CC(=O)N1CCC[C@@H](C(N)=O)C1)c2=O	ZINC000342706971	O=C(Cn1c(=O)cc[nH]c1=O)N2CCCCC2
C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2	ZINC000658867636	O=C2CN(C(=O)C(=O)N1CCCC1)CCN2
NC(=O)C2CCN(C(=O)c1ccc(N(=O)=O)o1)CC2	ZINC000000342236	O=C(N1CCCCC1)c2ccco2
Nc2ccc(S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)cc2	ZINC000000143548	O=S(=O)(Nc1ccccc1)c2ccccc2
COc1cc(OC)nc(S(C)(=O)=O)n1	ZINC000000365936	c1cncnc1
CCOC(=O)CNc1nc(OC)nc(OC)n1	ZINC000000322547	c1ncncn1
Cc3c(C=c1c(=O)[nH]c(=S)[nH]c1=O)c(=O)n(c2ccccc2)n3C	ZINC000000176398	O=c1[nH]c(=S)[nH]c(=O)c1=Cc3c[nH]n(c2ccccc2)c3=O
O=C(CN1CCCC1=O)NCCCN2CCNCC2	ZINC000035307306	O=C(CN1CCCC1=O)NCCCN2CCNCC2
CCc1ccccc1N2C(=O)C[C@H](SC[C@@H](N)C(O)=O)C2=O	ZINC000000257833	O=C1CCC(=O)N1c2ccccc2
CN(C)S(=O)(=O)N2CC(NC(=O)NCC1COC1)C2	ZINC000624884697	O=C(NCC1COC1)NC2CNC2
CCN3OC[C@@H]([N@]1C[C@H]2[C@@H](C1)C(=O)NC2=O)C3=O	ZINC000660723169	O=C1NOCC1N2CC3C(C2)C(=O)NC3=O
CS(=O)(=O)N2CCN(S(=O)(=O)N1CC[C@@H](N)C1)CC2	ZINC000570464920	O=S(=O)(N1CCCC1)N2CCNCC2
CN(C)C(=S)SCC(=O)N[C@@H](CO)C(O)=O	ZINC000001730225	nonring
NC(=O)c1cc(NC(=O)C(F)(F)F)cc(C(N)=O)c1	ZINC000000433483	c1ccccc1
CN([C@@H]1CNC(=NC(N)=O)NC1=O)C(=O)C[C@@H](N)c2csc(CCN)n2	ZINC000026579837	N=C2NCC(NC(=O)CCc1cscn1)C(=O)N2
Cn3c(=O)n(C)c2ncn(Cc1ccccn1)c2c3=O	ZINC000000099496	O=c3[nH]c(=O)c2n(Cc1ccccn1)cnc2[nH]3
Cc3cc(N1CCOCC1)nc(N2CCOCC2)n3	ZINC000000099494	C3CN(c2ccnc(N1CCOCC1)n2)CCO3
CN(C)N2C(=O)C[C@H](n1nc(C)cc1C)C2=O	ZINC000000243236	O=C2CC(n1cccn1)C(=O)N2
Cn2c(N)c(C(=O)CNC1CCCCC1)c(=O)n(C)c2=O	ZINC000000141334	O=C(CNC1CCCCC1)c2c[nH]c(=O)[nH]c2=O
OC[C@@H]3O[C@@H](OC2=c1c(Cl)cccc1=NC2)[C@@H](O)[C@H](O)[C@H]3O	ZINC000306121231	C3CCC(OC2=c1ccccc1=NC2)OC3
NS(=O)(=O)c2ccc(OCCSCC(=O)N1C[C@H](O)[C@@H](O)C1)cc2	ZINC000600217376	O=C(CSCCOc1ccccc1)N2CCCC2
CN(n2cnc1ccccc1c2=O)S(C)(=O)=O	ZINC000000141137	O=c1[nH]cnc2ccccc12
COc2ccc(S(=O)(=O)N(CC(O)=O)Cc1ccccc1)cc2OC	ZINC000001195476	O=S(=O)(NCc1ccccc1)c2ccccc2
Cc3cc2nc1c(=O)n(C)c(=O)n(C)c1nc2cc3N	ZINC000000235641	O=c3[nH]c(=O)c2nc1ccccc1nc2[nH]3
CO[C@@H](CN)C(=O)N(C)CC(=O)N(C)C	ZINC000227348493	nonring
OC(=O)c2ccc(/N=C/c1ccccc1)cc2	ZINC000000056233	C(=Nc1ccccc1)c2ccccc2
CN(C)c2ccc(\C=N\NS(=O)(=O)c1ccc(Cl)cc1)cc2	ZINC000000071930	O=S(=O)(NN=Cc1ccccc1)c2ccccc2
O=S(=O)(NC[C@@H]1COCCO1)N2CCNCC2	ZINC000038063165	O=S(=O)(NCC1COCCO1)N2CCNCC2
CCn1nnnc1SCC(=O)N3CCN(c2ccccc2)CC3	ZINC000000119394	O=C(CSc1nnn[nH]1)N3CCN(c2ccccc2)CC3
COc2ccc(C(=O)NN1C(=O)CCC1=O)cc2OC	ZINC000000304983	O=C1CCC(=O)N1NC(=O)c2ccccc2
CCN(CC)c2ccc(C=c1c(=O)[nH]c(=S)[nH]c1=O)o2	ZINC000000562672	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccco2
COC(=O)c/1c(C)[nH]c(=O)c\1=C/c2cc(OC)c(OC)c(OC)c2	ZINC000000112555	O=c1[nH]ccc1=Cc2ccccc2
OC(=O)c1ccccc1NC(=O)C=NNc2ccccc2	ZINC000000104485	O=C(Nc1ccccc1)C=NNc2ccccc2
Cc3cccc(Cn1c(N)nc2n(C)c(=O)[nH]c(=O)c12)c3	ZINC000000282237	O=c3[nH]c(=O)c2n(Cc1ccccc1)cnc2[nH]3
COC(=O)CNC(=O)C[N@]1CC[C@H](O)[C@@H](C)C1	ZINC000186931124	C1CCNCC1
Cc2ccc1NC(=O)[C@](O)(C(=O)NC(N)=O)c1c2	ZINC000000209313	O=C2Cc1ccccc1N2
CS(=O)(=O)N[C@@H]2CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C2	ZINC000533435782	O=C(CN1CCCC1)Nc2ccccc2
COc2ccc(C1CS(=O)(=O)CS(=O)(=O)C1)cc2	ZINC000000162016	O=S2(=O)CC(c1ccccc1)CS(=O)(=O)C2
O=C(CN(Cc1ccccc1)S(=O)(=O)c2ccccc2)NC3CC3	ZINC000000079959	O=C(CN(Cc1ccccc1)S(=O)(=O)c2ccccc2)NC3CC3
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC(=O)NC(C)(C)C	ZINC000607715623	nonring
O=C(CCN1CCCS1(=O)=O)NCC3(N2CCOCC2)CCOCC3	ZINC000622689745	O=C(CCN1CCCS1(=O)=O)NCC3(N2CCOCC2)CCOCC3
CCCn2c(N1CCN(CCO)CC1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000022768328	O=c3[nH]c(=O)c2[nH]c(N1CCNCC1)nc2[nH]3
O=C(Cn1cnc(N(=O)=O)n1)N2CCCC2	ZINC000000197125	O=C(Cn1cncn1)N2CCCC2
CCOC(=O)N2CCN(C(=O)CN(Cc1ccccc1)S(C)(=O)=O)CC2	ZINC000000627814	O=C(CNCc1ccccc1)N2CCNCC2
CC(C)(CO)NC(=O)c2cccc(S(=O)(=O)N1CCOCC1)c2	ZINC000000060876	O=S(=O)(N1CCOCC1)c2ccccc2
CC(=O)NCC(=O)OCn2c(=O)c1ccccc1c2=O	ZINC000000551118	O=c1[nH]c(=O)c2ccccc12
C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NCCCn2nc1CCCCn1c2=O	ZINC000556629307	O=c2[nH]nc1CCCCn12
Nc1nnnn1CC(=O)OCc2cccc(Br)c2	ZINC000000032773	O=C(Cn1cnnn1)OCc2ccccc2
CS(=O)(=O)N2CCN(S(=O)(=O)Cc1ccccc1)CC2	ZINC000000268340	O=S(=O)(Cc1ccccc1)N2CCNCC2
CNC(=O)Cn2[nH]c(=NC(=O)N1CC(S(C)(=O)=O)C1)cc2C	ZINC000650108082	O=C(N=c1cc[nH][nH]1)N2CCC2
CCc1[nH]c(=O)[nH]c1C(=O)c2ccncc2	ZINC000000001965	O=C(c1ccncc1)c2c[nH]c(=O)[nH]2
Nc2ccn([C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1F)c(=O)n2	ZINC000000057331	O=c1ncccn1C2CCCO2
NS(=O)(=O)c2ccc(NC(=O)c1cccnc1)cc2	ZINC000000065347	O=C(Nc1ccccc1)c2cccnc2
O=C2C[C@@H](C(=O)NCC(=O)N1CCOCC1)NC(=O)N2	ZINC000646953523	O=C2CC(C(=O)NCC(=O)N1CCOCC1)NC(=O)N2
CCS(=O)(=O)N(C)CCCNC(=O)CNS(=O)(=O)c1cnn(C)c1	ZINC000047110258	c1cn[nH]c1
NC(=O)CN3CCN(C(=O)[C@@H]1CCCc2[nH]ncc12)CC3=O	ZINC000622691290	O=C3CN(C(=O)C1CCCc2[nH]ncc12)CCN3
COc2ccc([C@@H]1C[C@@](O)(C(C)(C)O)ON1)cc2	ZINC000000032807	C2CC(c1ccccc1)NO2
NC(=O)CN3CCN(C(=O)c2ccc(CN1CCOCC1)cn2)CC3=O	ZINC000622691333	O=C3CN(C(=O)c2ccc(CN1CCOCC1)cn2)CCN3
Cc2cn([C@@H]1O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@@H]1O)c(=O)[nH]c2=O	ZINC000004994358	O=c2ccn(C1CCCO1)c(=O)[nH]2
CC(C)NS(=O)(=O)CCn2c(=O)c1ccccc1c2=O	ZINC000000002124	O=c1[nH]c(=O)c2ccccc12
NC(=O)CN2CCN(C(=O)CC1CCOCC1)CC2=O	ZINC000622691338	O=C2CN(C(=O)CC1CCOCC1)CCN2
CC(CNS(=O)(=O)N(C)C)CNS(=O)(=O)N(C)C	ZINC000332507848	nonring
COC(=O)c2ccc(C(=O)N1C[C@H](O)[C@@H](O)C1)n2C	ZINC000600216959	O=C(N1CCCC1)c2ccc[nH]2
CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C(N)=O)C1	ZINC000625372568	C1COCCN1
NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccccc1S(=O)(=O)NC2CC2	ZINC000444092555	O=S(=O)(NC1CC1)c2ccccc2
CS(=O)(=O)c1cnn(C[C@@H](N)C(N)=O)c1	ZINC000725250656	c1cn[nH]c1
CCNS(=O)(=O)c2ccc(NC(=O)c1ccncc1)cc2	ZINC000000081983	O=C(Nc1ccccc1)c2ccncc2
CNS(=O)(=O)[C@@H]2CCN(C(=O)C(=O)N1CCNC(C)(C)C1)C2	ZINC000564827304	O=C(N1CCCC1)C(=O)N2CCNCC2
Nn2cnn(Cc1ccc(N(=O)=O)cc1)c2=S	ZINC000000033603	S=c1[nH]cnn1Cc2ccccc2
O[C@H](CNC(=O)CC1(CC(O)=O)CCCC1)c2ccccc2	ZINC000000130379	O=C(CC1CCCC1)NCCc2ccccc2
COc1ccc(C(=O)C[C@H](N)C(O)=O)cc1	ZINC000000019524	c1ccccc1
CC[C@H](C)N2[C@@H]1NC(=O)N[C@@H]1NC2=O	ZINC000000073423	O=C2NC1NC(=O)NC1N2
CNS(=O)(=O)NCC(=O)N(C)C(C)(C)COC	ZINC000332431975	nonring
CN(C)S(=O)(=O)N2CC(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C2	ZINC000629534091	O=C(CN1CCNCC1)NC2CNC2
CN(CCCNC(=O)[C@@]1(N)CC[N@@](C)C1)S(C)(=O)=O	ZINC000643641667	C1CCNC1
Cn2c(NC(=O)c1ccco1)cc(=O)n(C)c2=O	ZINC000000433105	O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c2ccco2
COC(=O)c2nc(Cl)c(N1CCOCC1)nc2N	ZINC000000165305	C2CN(c1cnccn1)CCO2
CS(=O)(=O)NCCNC(=O)N2CCN(C(=O)C(=O)NC1CC1)CC2	ZINC000045586366	O=C(NC1CC1)C(=O)N2CCNCC2
OC(=O)c1cc(O)ccc1NC(=O)CCc2ccccc2	ZINC000000036387	O=C(CCc1ccccc1)Nc2ccccc2
COc1cc(C)ccc1S(=O)(=O)NCc2ccco2	ZINC000000036381	O=S(=O)(NCc1ccco1)c2ccccc2
Cn2c(=O)ccn(CC(=O)N1C[C@@H](O)C[C@@H](O)C1)c2=O	ZINC000674804884	O=C(Cn1ccc(=O)[nH]c1=O)N2CCCCC2
COC(=O)N[C@H]1[C@@H](C(N)=O)C(=O)CCC1=O	ZINC000001591510	O=C1CCC(=O)CC1
Nc2nc(=O)n([C@H]1CS[C@@H](CO)O1)cc2F	ZINC000000005472	O=c1ncccn1C2CSCO2
O=C1NCCC[C@@H]1C(=O)N2CCCCC2	ZINC000000130114	O=C1NCCCC1C(=O)N2CCCCC2
CSC(=S)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000000337098	O=c1cc[nH]c(=O)[nH]1
CN2C(=O)C[C@@H](NC(=O)Cn1cnc(C#N)n1)C2=O	ZINC000577674492	O=C2CC(NC(=O)Cn1cncn1)C(=O)N2
CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O	ZINC000615940508	C1CCNCC1
CN(C)[C@H]2CN(C(=O)CN1C(=O)CN(C)C1=O)C[C@@H]2O	ZINC000580260240	O=C1CNC(=O)N1CC(=O)N2CCCC2
C[C@@H](NCCn1cnc2c(N)ncnc12)c3ccccc3	ZINC000000158697	C(Cn1cnc2cncnc12)NCc3ccccc3
CO[C@@](C)(CO)CNC(=O)CN1CC(=O)NC1=O	ZINC000655212469	O=C1CNC(=O)N1
CNC(=O)C(=O)N2CC(S(=O)(=O)N1CCNCC1)C2	ZINC000623066877	O=S(=O)(C1CNC1)N2CCNCC2
CC(C)C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(O)=O	ZINC000037415149	O=C1CNC(=O)N1
CCOCC(=O)NCCNS(=O)(=O)N(C)C	ZINC000332464265	nonring
CN(CCO)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000037898729	O=c1cc[nH]c(=O)[nH]1
CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@@](C)(O)C1	ZINC000616340360	C1CCC1
COCCN2CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2=O	ZINC000646951168	O=C2CC(C(=O)N1CCNC(=O)C1)NC(=O)N2
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCOC34CC2CC(CC(C2)C3)C4	ZINC000004110473	O=c4[nH]cc(S(=O)(=O)NCCOC23CC1CC(CC(C1)C2)C3)c(=O)[nH]4
CNC(=O)C2CN(C(=O)CS(=O)(=O)CC(=O)N1CC(C(=O)NC)C1)C2	ZINC000655003073	O=C(CS(=O)(=O)CC(=O)N1CCC1)N2CCC2
CCOC(=O)Cn2nnc(N1CCCC1)n2	ZINC000000088938	C2CCN(c1nn[nH]n1)C2
NS(=O)(=O)c2ccc(C(=O)NCC(=O)N1CCNCC1)nc2	ZINC000565950341	O=C(CNC(=O)c1ccccn1)N2CCNCC2
Cc4ccc(N1CCn2c1nc3n(C)c(=O)[nH]c(=O)c23)cc4	ZINC000000041935	O=c4[nH]c(=O)c3n2CCN(c1ccccc1)c2nc3[nH]4
C[C@@H]1O[C@@H](OCCN)[C@H](O)[C@H](O)[C@H]1O	ZINC000201658766	C1CCOCC1
Cn3c(=O)[nH]c(=O)c4n2C[C@@H](O)CN(c1ccccc1)c2nc34	ZINC000000041937	O=c4[nH]c(=O)c3n2CCCN(c1ccccc1)c2nc3[nH]4
CC2(C)C(C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2(C)C	ZINC000000020317	O=C(NCCc1ccccc1)C2CC2
C[C@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C(N)=O)O1	ZINC000625738137	C1COCCN1
CN(C)S(=O)(=O)CC(=O)N1CCN(S(N)(=O)=O)CC1	ZINC000344905154	C1CNCCN1
CN(C)S(=O)(=O)N2CC(NS(=O)(=O)N1CCOCC1)C2	ZINC000625625444	O=S(=O)(NC1CNC1)N2CCOCC2
CNS(=O)(=O)[C@@H]2CCCN(C(=O)NCCC[N@]1CCC[C@@H]1C(N)=O)C2	ZINC000603535510	O=C(NCCCN1CCCC1)N2CCCCC2
S=C(NC[C@@H]1CCCO1)N/N=C/c2ccco2	ZINC000000072178	S=C(NCC1CCCO1)NN=Cc2ccco2
CC(C)n2c(N1CCN(C)CC1)nc3n(C)c(=O)[nH]c(=O)c23	ZINC000000237780	O=c3[nH]c(=O)c2[nH]c(N1CCNCC1)nc2[nH]3
CCOC(=O)Cn1c(Br)nc2n(C)c(=O)[nH]c(=O)c12	ZINC000000040080	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CC(=O)C(C(C)=O)=C(N)NC(=O)c1ccccc1	ZINC000000052940	c1ccccc1
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN2C(=O)NC(C)(C)C2=O	ZINC000600128448	O=C(CN1C(=O)CNC1=O)NCC(=O)N2CCCC2
NC[C@@H](NC(=O)CN1CCNCC1=O)C2CC2	ZINC000238063003	O=C(CN1CCNCC1=O)NCC2CC2
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCO	ZINC000332428355	nonring
Cn2cc(/C=C/C(=O)N1CCNC(=O)C1)c(=O)n(C)c2=O	ZINC000022884662	O=C2CN(C(=O)C=Cc1c[nH]c(=O)[nH]c1=O)CCN2
CN(C)S(=O)(=O)NCCNC(=O)[C@@H]1CN(C)C(=O)N1	ZINC000614746667	O=C1NCCN1
OC[C@@H](CN1CCCC1)NC[C@@H](O)Cn2cccn2	ZINC000517741924	C2CCN(CCNCCCn1cccn1)C2
Cn3c(=O)n(C)c2cn(N)c(c1ccccc1)c2c3=O	ZINC000000310298	O=c3[nH]c(=O)c2c(c1ccccc1)[nH]cc2[nH]3
CN3CCN(c2nc1n(C)c(=O)n(C)c(=O)c1n2CC(N)=O)CC3	ZINC000000235946	O=c3[nH]c(=O)c2[nH]c(N1CCNCC1)nc2[nH]3
C[C@H](O)CN2CCN(C(=O)C1(C(=O)N(C)C)CC1)CC2	ZINC000356470878	O=C(C1CC1)N2CCNCC2
OCC(=O)N2CC[N@]1C[C@H](O)C[C@H]1C2	ZINC000655295696	C2CC1CNCCN1C2
NC(=S)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	ZINC000003843087	C1CCOCC1
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000627988704	C1CCNC1
CCN(CCNC(=O)[C@@H](C)NS(C)(=O)=O)C(=O)[C@@H](C)NS(C)(=O)=O	ZINC000444374642	nonring
Clc2ccc(NC(=O)OCCN1CNC(=NN(=O)=O)NC1)cc2	ZINC000000089186	N=C2NCN(CCOC(=O)Nc1ccccc1)CN2
Nc1n[nH]cc1S(=O)(=O)N2CCNC(=O)C2	ZINC000037471488	O=C2CN(S(=O)(=O)c1cn[nH]c1)CCN2
CN(CC(F)(F)F)C(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N2CCOCC2	ZINC000533383581	O=S2(=O)CCC(N1CCOCC1)C2
Cc1nnc(=O)[nH]c1Nc3c(C)n(C)n(c2ccccc2)c3=O	ZINC000000114457	O=c3nncc(Nc2c[nH]n(c1ccccc1)c2=O)[nH]3
OC[C@@H]2NC(=N)N1C[C@@H](OS(O)(=O)=O)C(O)(O)[C@@]13NC(=N)N[C@H]23	ZINC000090697507	N=C3NC1CNC(=N)N2CCCC12N3
C[C@H](NC(=O)CSc1nc(=O)cc(N)n1CC=C)c2ccccc2	ZINC000000202454	O=C(CSc1nc(=O)cc[nH]1)NCc2ccccc2
NC(=S)N/N=C/c2cc1OCOc1cc2N(=O)=O	ZINC000000257035	C2Oc1ccccc1O2
CC(C)C(=O)NCCNC(=O)CS(=O)(=O)N(C)C	ZINC000332462084	nonring
O=C(N1CCOCC1)c2cc(N(=O)=O)n[nH]2	ZINC000000031168	O=C(N1CCOCC1)c2ccn[nH]2
CCOC(=O)C2=C(NC1CCCCC1)C(=O)N(C)C2	ZINC000000041595	O=C1NCC=C1NC2CCCCC2
O=C(C[C@@H]1CCNC1)N3CC(S(=O)(=O)N2CCNCC2)C3	ZINC000647092173	O=C(CC1CCNC1)N3CC(S(=O)(=O)N2CCNCC2)C3
Cc1ncc(N(=O)=O)n1CCOC(=O)c2cccs2	ZINC000000033900	O=C(OCCn1ccnc1)c2cccs2
CN3C(=O)CN(C(=O)Cn2c(=O)c1cccc(N(=O)=O)c1c2=O)CC3=O	ZINC000577625642	O=C3CN(C(=O)Cn2c(=O)c1ccccc1c2=O)CC(=O)N3
Cc2ccc(OC[C@@H](O)CN1CCC(C(N)=O)CC1)c(N(=O)=O)c2	ZINC000000119233	C2CCN(CCCOc1ccccc1)CC2
CNC(=O)CCC(=O)Nc2c(C)n(C)n(c1ccccc1)c2=O	ZINC000000310836	O=c1cc[nH]n1c2ccccc2
Cn2c(=O)c(C#N)c(c1ccccc1)n3cnnc23	ZINC000000053544	O=c3cc(c1ccccc1)n2cnnc2[nH]3
CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1	ZINC000558526629	C1CCNCC1
CN2CC(=O)N(CC(=O)NC[C@@H]1C[C@H](F)CN1)C2=O	ZINC000648140901	O=C(CN1C(=O)CNC1=O)NCC2CCCN2
NCCN[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000019203469	O=S1(=O)CCCC1
CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1	ZINC000600769702	C1CCNC1
CN3C(=O)C[C@H](N2CCN(C(=O)c1ccccc1)CC2)C3=O	ZINC000000100587	O=C3CC(N2CCN(C(=O)c1ccccc1)CC2)C(=O)N3
OC[C@H]2N[C@@H](CS(=O)(=O)c1ccccc1)[C@@H](O)[C@@H]2O	ZINC000006581544	O=S(=O)(CC1CCCN1)c2ccccc2
NC[C@H](Cn1cnc2c(N)nc(N)nc12)OC[P@](O)(O)=O	ZINC000003653405	c2ncc1nc[nH]c1n2
CS(=O)(=O)CC[C@@H](N)C(=O)N1CCCNCC1	ZINC000035738348	C1CNCCNC1
COc1ccccc1[C@@H]2NC(=O)CC[C@@H]2N(=O)=O	ZINC000000090836	O=C2CCCC(c1ccccc1)N2
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)C(O)=O)cccc12	ZINC000000642982	c2ccc1ccccc1c2
CN(C)Cc2nc1c(=O)[nH]c(=O)n(C)c1[nH]2	ZINC000002433745	O=c2[nH]c(=O)c1nc[nH]c1[nH]2
C[C@@H](OC(=O)c1ccc(N(=O)=O)cc1)C(N)=O	ZINC000000208901	c1ccccc1
OCCNC(=O)C(=O)NCc1ccccn1	ZINC000002901661	c1ccncc1
COc1ccc(Cl)cc1NC(=O)NCCN2CCNC2=O	ZINC000000147080	O=C(NCCN1CCNC1=O)Nc2ccccc2
O=C(NC(=S)NC[C@@H]1CCCO1)c2ccco2	ZINC000000070145	O=C(NC(=S)NCC1CCCO1)c2ccco2
Cn2c(=O)[nH]c(=O)c3nc(NCc1ccco1)[nH]c23	ZINC000000195973	O=c3[nH]c(=O)c2nc(NCc1ccco1)[nH]c2[nH]3
C[C@@H](NC(N)=O)C(=O)N1CCN(CCN(C)C)CC1	ZINC000356483186	C1CNCCN1
O=C(Cn1cnnn1)NCCN2CCNCC2	ZINC000036278481	O=C(Cn1cnnn1)NCCN2CCNCC2
Cn2c(NC1CCCC1)nc3n(C)c(=O)n(C)c(=O)c23	ZINC000000158597	O=c3[nH]c(=O)c2[nH]c(NC1CCCC1)nc2[nH]3
COC(=O)Cc1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1	ZINC000145606433	c1ccccc1
COC(=O)C1=C(N)OC(OC)=C(C#N)[C@@H]1c2ccncc2	ZINC000000125768	O2C=CC(c1ccncc1)C=C2
COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)[C@@H](C)C(=O)N(C)C	ZINC000332454378	nonring
CNC(=O)[C@@H]2CN(C(=O)NC[C@@H]1COCCN1C)CCO2	ZINC000624734099	O=C(NCC1COCCN1)N2CCOCC2
S=c2[nH]cnc3n(Cc1ccccc1)ncc23	ZINC000000065284	S=c2[nH]cnc3n(Cc1ccccc1)ncc23
CC1(C)[C@@H](C(N)=O)C(=O)NC(=O)[C@@H]1C(N)=O	ZINC000001562669	O=C1CCCC(=O)N1
CC(C)(O)CNC(=O)C(=O)NCC(C)(C)O	ZINC000001715398	nonring
CCOC(=O)Cn1nnnc1c2ccco2	ZINC000000014027	c2coc(c1nnn[nH]1)c2
O[C@@H]3CO[C@H](n1cnc2c(=O)[nH]cnc12)[C@@H](O)[C@@H]3O	ZINC000017421485	O=c2[nH]cnc3n(C1CCCCO1)cnc23
Cc2ccc(OC[C@@H](O)CN1C(=O)NC(C)(C)C1=O)c(Cl)c2	ZINC000000112277	O=C1CNC(=O)N1CCCOc2ccccc2
COC(=O)[C@@H](C)CNC(=O)[C@@H](C)NC(N)=O	ZINC000332454150	nonring
Nc1nnnn1/N=C/c2cccc(I)c2	ZINC000000055417	C(=Nn1cnnn1)c2ccccc2
COc1ccc(NN=C(C#N)C(=O)NN)cc1	ZINC000000333091	c1ccccc1
COCCO[C@@H]2C[C@@H](CO)CN(C(=O)C(=O)N1CCN[C@@H](C(C)C)C1)C2	ZINC000643552896	O=C(N1CCCCC1)C(=O)N2CCNCC2
CCOC(=O)CS[C@@H]1NC(=O)C=C(OC)N1	ZINC000000507816	O=C1NCNC=C1
C[C@H]2N(C(=O)C(=O)NC1CNC1)CCNC2=O	ZINC000581993485	O=C2CN(C(=O)C(=O)NC1CNC1)CCN2
CNC(=O)NC[C@@H]2CN(C(=O)C(=O)N1CCNC(=O)C1)CCO2	ZINC000625359911	O=C2CN(C(=O)C(=O)N1CCOCC1)CCN2
C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N2CCOCC2	ZINC000000390738	O=C(CNS(=O)(=O)c1ccccc1)N2CCOCC2
CCNC(=O)CN(CC)C(=O)CS(=O)(=O)N(C)C	ZINC000332433126	nonring
CCC[C@@H](C)NC(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12	ZINC000000117341	O=c2[nH]c(=O)c1[nH]cnc1[nH]2
CC(=O)n2[nH]c(=O)n(c1ccccc1)c2=O	ZINC000000004194	O=c1[nH][nH]c(=O)n1c2ccccc2
OC(=O)[C@H]2CN(C(=O)CCNC(=O)c1ccco1)CCO2	ZINC000043702104	O=C(CCNC(=O)c1ccco1)N2CCOCC2
OC([C@H]1OCOC[C@@H]1O)[C@H]2OCOC[C@H]2O	ZINC000004403266	C2CC(CC1CCOCO1)OCO2
CCN(CCCNC(=O)CO)S(C)(=O)=O	ZINC000332493295	nonring
CCOc2c(N1CCOCC1)cnn(C)c2=O	ZINC000000001349	O=c2cc(N1CCOCC1)cn[nH]2
CN2N=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)[C@H]2C(N)=O	ZINC000169319276	O=C1CNN=C1C2CCCO2
Cn2nnc(NC(=S)NC(=O)Cc1ccccc1)n2	ZINC000000558090	O=C(Cc1ccccc1)NC(=S)Nc2nn[nH]n2
CC(C)N(CCN(C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)N)C1	ZINC000643542806	C1COCCN1
C[C@@H](CN1CCCCC1)OC(=O)c3ccc2OCCOc2c3	ZINC000000073940	O=C(OCCN1CCCCC1)c3ccc2OCCOc2c3
Nc2cnn([C@@H]1CCCO1)c(=O)n2	ZINC000000347972	O=c1nccnn1C2CCCO2
C[C@H](CN(C)S(=O)(=O)N(CCO)CCO)C#N	ZINC000332438116	nonring
C[C@@H](CO)CNC(=O)CS(=O)(=O)N(C)C	ZINC000332509882	nonring
C[C@]1(O)[C@@H](O)[C@H](CO)O[C@@H]1n2cnc3c(N)ncnc23	ZINC000002583374	C3COC(n1cnc2cncnc12)C3
FC(F)CN2CC[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2	ZINC000616348967	O=C2CC(C(=O)NC1CCNC1)NC(=O)N2
CN2C(=O)C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2=O	ZINC000655062503	O=C2CC(NC(=O)C1CCS(=O)(=O)N1)C(=O)N2
OC[C@H](O)[C@H](O)c1ccc(N(=O)=O)cc1	ZINC000000056787	c1ccccc1
OC[C@@H]3O[C@H](N2[C@H]1N=NN[C@H]1C=CC2=O)[C@H](O)[C@@H]3O	ZINC000003852504	O=C2C=CC1NN=NC1N2C3CCCO3
CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000002564485	c1ccccc1
OCCS(=O)(=O)c1cccc(N(=O)=O)c1	ZINC000000056788	c1ccccc1
Fc3ccc(C2=NNC1=NCCN1C2)cc3F	ZINC000000092395	C3CN2CC(c1ccccc1)=NNC2=N3
Cn1nc(OCC(N)=O)ccc1=O	ZINC000000119006	O=c1cccn[nH]1
C[C@@H](Sc1nc(N)cc(N)n1)C(O)=O	ZINC000000092392	c1cncnc1
CNS(=O)(=O)NCC(=O)N1C[C@@H](OC)C[C@@H]1C(N)=O	ZINC000348499303	C1CCNC1
NC(=O)CN(Cc1ccccc1)S(=O)(=O)c2ccc(F)cc2	ZINC000000089663	O=S(=O)(NCc1ccccc1)c2ccccc2
COc2ccc(OC)c(NC(=O)CSc1nnc(C)n1N)c2	ZINC000000130962	O=C(CSc1nnc[nH]1)Nc2ccccc2
O=C(Nc1ccccc1)N2CNC(=NN(=O)=O)NC2	ZINC000000434150	N=C2NCN(C(=O)Nc1ccccc1)CN2
CCN1CCC[C@@H]1CNS(=O)(=O)c2cc(Cl)c(N)cc2OC	ZINC000000000430	O=S(=O)(NCC1CCCN1)c2ccccc2
N#Cc3nc(N1CCCCC1)nc(N2CCOCC2)n3	ZINC000000141482	C3CCN(c2ncnc(N1CCOCC1)n2)CC3
Cc3cc(C)n2nc(SCC(=O)N1CCOCC1)nc2n3	ZINC000000217311	O=C(CSc2nc1ncccn1n2)N3CCOCC3
NC(=O)c3nc(N1CCCCC1)nc(N2CCCCC2)n3	ZINC000000141481	C3CCN(c2ncnc(N1CCCCC1)n2)CC3
C[C@@H]1COCCN1CCNC(=O)CNS(=O)(=O)N(C)C	ZINC000668253236	C1COCCN1
COC[C@@H]1CCCN1C(=O)C(=O)N2CCNCC2	ZINC000643545196	O=C(N1CCCC1)C(=O)N2CCNCC2
Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000000056254	c1ccccc1
CO[C@H]1CN[C@@H](C(=O)NCC(N)=O)C1	ZINC000040629549	C1CCNC1
CCOC(=O)c2ccc(COC(=O)c1nonc1N)cc2	ZINC000000056335	O=C(OCc1ccccc1)c2cnon2
COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)N2CCOCC2	ZINC000163705943	O=S(=O)(N1CCCC1)N2CCOCC2
Cc1c(Br)c(=O)n(C)c(=O)n1C	ZINC000000260429	O=c1cc[nH]c(=O)[nH]1
O=c1[nH]c(=S)[nH]c(=O)c1=CN[C@H]2CS(=O)(=O)C=C2	ZINC000020622632	O=c1[nH]c(=S)[nH]c(=O)c1=CNC2CS(=O)(=O)C=C2
CCOC(=O)CC(=O)CSc1n[nH]c(=O)[nH]c1=O	ZINC000013683321	O=c1cn[nH]c(=O)[nH]1
O=C3C[C@H]1N(CCNC1=O)C(NC(=O)c2ccccc2)=N3	ZINC000000489685	O=C3CC1N(CCNC1=O)C(NC(=O)c2ccccc2)=N3
CC13CN2CC(C)(CN(C1)S2=O)C3=O	ZINC000000346145	O=C1C2CN3CC1CN(C2)S3=O
OCCN2C(=O)c1ccccc1S2(=O)=O	ZINC000000241089	O=C1NS(=O)(=O)c2ccccc12
C[C@H](N(c1ccccc1)S(C)(=O)=O)C(=O)Nc2cccnc2	ZINC000000079974	O=C(CNc1ccccc1)Nc2cccnc2
O=C1CCC(=O)N1CCSC(=S)N2CCOCC2	ZINC000000241080	O=C1CCC(=O)N1CCSC(=S)N2CCOCC2
COC[C@@H](C)NS(=O)(=O)c1ccccc1	ZINC000000030976	c1ccccc1
COCCCNC(=O)[C@@H](C)N2CCN(C(=O)[C@@H]1CC(=O)N1)CC2	ZINC000668237057	O=C2CC(C(=O)N1CCNCC1)N2
CNS(=O)(=O)NCC(=O)N1CCN(C[C@H](C)O)CC1	ZINC000563334472	C1CNCCN1
CCN(N)c1cc(=O)n(C)c(=O)[nH]1	ZINC000000342805	O=c1cc[nH]c(=O)[nH]1
COC(=O)NC(=S)N1CCN(C)CC1	ZINC000000388900	C1CNCCN1
O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccncc2	ZINC000000298020	O=c1[nH]c(=S)[nH]c(=O)c1=Cc2ccncc2
Cc3ccc(C(=O)COC(=O)c2ccc(n1cnnn1)cc2)cc3C	ZINC000000088137	O=C(COC(=O)c2ccc(n1cnnn1)cc2)c3ccccc3