smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)[N-]C1=S	ZINC000006830084	452995910	/nfs/dbraw/zinc/99/59/10/452995910.db2.gz	HSMILGRKQZFRQJ-HOXUKUGESA-N	-1	1	341.436	3.015	50	10		EGCAMM
O=S(=O)([N-]c1ccc(Cl)cc1F)c1cccc2nsnc21	ZINC000014256168	453526352	/nfs/dbraw/zinc/52/63/52/453526352.db2.gz	USKJJUBQIVCFHL-UHFFFAOYSA-N	-1	1	343.792	3.285	50	10		EGCAMM
Cc1ccc(C)c(N2CCN(Cc3cc([N+](=O)[O-])ccc3[O-])CC2)c1	ZINC000004980538	452829575	/nfs/dbraw/zinc/82/95/75/452829575.db2.gz	BWTHANIRQQBTEV-UHFFFAOYSA-N	-1	1	341.411	3.239	50	10		EGCAMM
CCOc1cc2c(cc1/C=C1\C(=O)[N-]N(c3ccccc3)C1=O)CCC2	ZINC000095471140	454218628	/nfs/dbraw/zinc/21/86/28/454218628.db2.gz	XGVPLPSOELDLOP-LDADJPATSA-N	-1	1	348.402	3.035	50	10		EGCAMM
CCCCN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)[N-]C1=S	ZINC000006783102	452988130	/nfs/dbraw/zinc/98/81/30/452988130.db2.gz	LDVMZYSCILTYLH-UVTDQMKNSA-N	-1	1	341.436	3.016	50	10		EGCAMM
CCn1cc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)c2ccccc21	ZINC000001275107	452651696	/nfs/dbraw/zinc/65/16/96/452651696.db2.gz	AXMUDWARPFOUQA-UKTHLTGXSA-N	-1	1	327.409	3.148	50	10		EGCAMM
CC[C@@H](C)N1C(=O)C(=CNc2ccc(C(C)C)cc2)C(=O)[N-]C1=S	ZINC000009245526	453248600	/nfs/dbraw/zinc/24/86/00/453248600.db2.gz	ZPLFBQVTNPVFLV-DYTQJMLRSA-N	-1	1	345.468	3.148	50	10		EGCAMM
O=C(Oc1ccc(/C=C2\SC(=S)[N-]C2=O)cc1)c1cccs1	ZINC000016247650	453598913	/nfs/dbraw/zinc/59/89/13/453598913.db2.gz	UFUYIQQDEKXAMV-WQLSENKSSA-N	-1	1	347.442	3.456	50	10		EGCAMM
CN(C)c1ccc(C=C2SC(=S)[N-]C2=O)cc1Br	ZINC000001022549	452643162	/nfs/dbraw/zinc/64/31/62/452643162.db2.gz	GPRQVVSDZSXVPY-UXBLZVDNSA-N	-1	1	343.271	3.004	50	10		EGCAMM
CCCn1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c2ccccc21	ZINC000001315177	452652618	/nfs/dbraw/zinc/65/26/18/452652618.db2.gz	RMOMGVYULXTJLO-UKTHLTGXSA-N	-1	1	327.409	3.148	50	10		EGCAMM
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(C(=O)[O-])cc1	ZINC000018996594	453653652	/nfs/dbraw/zinc/65/36/52/453653652.db2.gz	RTRFZZGWYCUYAR-BOPFTXTBSA-N	-1	1	335.363	3.412	50	10		EGCAMM
Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000018996594	453653657	/nfs/dbraw/zinc/65/36/57/453653657.db2.gz	RTRFZZGWYCUYAR-BOPFTXTBSA-N	-1	1	335.363	3.412	50	10		EGCAMM
O=S(=O)(C=C([O-])c1sc2ccccc2c1O)c1ccccc1	ZINC000009614849	453257437	/nfs/dbraw/zinc/25/74/37/453257437.db2.gz	RVDJUAONJMIERH-UHFFFAOYSA-N	-1	1	332.402	3.264	50	10		EGCAMM
Cc1cccc(N2CCN(Cc3cc([N+](=O)[O-])ccc3[O-])CC2)c1C	ZINC000004980571	452829255	/nfs/dbraw/zinc/82/92/55/452829255.db2.gz	MIBPKIXRYPTPLR-UHFFFAOYSA-N	-1	1	341.411	3.239	50	10		EGCAMM
O=C1[N-]C(=S)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000013147661	453449334	/nfs/dbraw/zinc/44/93/34/453449334.db2.gz	DNCIZVIDQRGWMB-GHXNOFRVSA-N	-1	1	332.362	3.344	50	10		EGCAMM
C[C@@H]1CN(Cc2c([O-])ccc3c4ccccc4c(=O)oc32)C[C@@H](C)O1	ZINC000019791827	453659408	/nfs/dbraw/zinc/65/94/08/453659408.db2.gz	PDSWZIXYNCJANZ-CHWSQXEVSA-N	-1	1	339.391	3.261	50	10		EGCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000044826990	454121154	/nfs/dbraw/zinc/12/11/54/454121154.db2.gz	ORGZOHXFQADIMN-UVTDQMKNSA-N	-1	1	340.314	3.452	50	10		EGCAMM
COC(=O)c1ccccc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000001204353	452647520	/nfs/dbraw/zinc/64/75/20/452647520.db2.gz	RXDAWEGESVIPNS-MDWZMJQESA-N	-1	1	345.401	3.222	50	10		EGCAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000015723847	453583178	/nfs/dbraw/zinc/58/31/78/453583178.db2.gz	BVNQEEDUGPGRTP-AUWJEWJLSA-N	-1	1	343.364	3.326	50	10		EGCAMM
COc1cccc(Oc2coc3c(ccc([O-])c3CN(C)C)c2=O)c1	ZINC000020533514	212144680	/nfs/dbraw/zinc/14/46/80/212144680.db2.gz	CVDYIFXCDANERD-UHFFFAOYSA-N	-1	1	341.363	3.361	50	10		EGCAMM
COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)cc(O)c1O	ZINC000085412432	217665090	/nfs/dbraw/zinc/66/50/90/217665090.db2.gz	PTEBJNVVUJZLLE-CQSZACIVSA-N	-1	1	349.412	3.063	50	10		EGCAMM
O=C1[N-]C(=S)S/C1=C\C(Cl)=C\c1ccc([N+](=O)[O-])cc1	ZINC000001093048	452644553	/nfs/dbraw/zinc/64/45/53/452644553.db2.gz	BDSAFOVDXBFDHY-UQZKWGPRSA-N	-1	1	326.786	3.206	50	10		EGCAMM
CSc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000032099706	453865004	/nfs/dbraw/zinc/86/50/04/453865004.db2.gz	BYOCKKFEJAPJCG-BOPFTXTBSA-N	-1	1	338.432	3.487	50	10		EGCAMM
Cc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(Cl)c1	ZINC000008742734	453230812	/nfs/dbraw/zinc/23/08/12/453230812.db2.gz	TZJGBNZNFZYKJQ-UHFFFAOYSA-N	-1	1	343.770	3.337	50	10		EGCAMM
Cc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(Cl)c1	ZINC000008742734	453230824	/nfs/dbraw/zinc/23/08/24/453230824.db2.gz	TZJGBNZNFZYKJQ-UHFFFAOYSA-N	-1	1	343.770	3.337	50	10		EGCAMM
CCOc1cc(N(CC)CC)ccc1C=C1SC(=S)[N-]C1=O	ZINC000022033059	212272536	/nfs/dbraw/zinc/27/25/36/212272536.db2.gz	QWMYXNBUPLHMFL-ZROIWOOFSA-N	-1	1	336.482	3.420	50	10		EGCAMM
CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc(C(=O)[O-])cc1	ZINC000019119025	212000644	/nfs/dbraw/zinc/00/06/44/212000644.db2.gz	JHEMIWBYLBYJGU-LFIBNONCSA-N	-1	1	335.363	3.412	50	10		EGCAMM
Cc1[nH]n(-c2ccccc2C)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000019119025	212000648	/nfs/dbraw/zinc/00/06/48/212000648.db2.gz	JHEMIWBYLBYJGU-LFIBNONCSA-N	-1	1	335.363	3.412	50	10		EGCAMM
O=C(c1cccs1)c1coc2ccc([O-])c(CN3CCOCC3)c21	ZINC000019774905	212064416	/nfs/dbraw/zinc/06/44/16/212064416.db2.gz	NVWSJWSOOJSTJK-UHFFFAOYSA-N	-1	1	343.404	3.263	50	10		EGCAMM
CCn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21	ZINC000022135424	212279286	/nfs/dbraw/zinc/27/92/86/212279286.db2.gz	JCSWJOCTOBNPPB-ATVHPVEESA-N	-1	1	331.375	3.123	50	10		EGCAMM
CC[C@@H](C)N1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)[N-]C1=S	ZINC000038170394	1291402798	/nfs/dbraw/zinc/40/27/98/1291402798.db2.gz	GIMVWDZKPLKMMM-GARZTLJTSA-N	-1	1	327.409	3.433	50	10		EGCAMM
O=[N+]([O-])c1ccc([O-])c(CN2CCN(c3ccc(Cl)cc3)CC2)c1	ZINC000004980764	452829674	/nfs/dbraw/zinc/82/96/74/452829674.db2.gz	VAPPQMGTVPHKHI-UHFFFAOYSA-N	-1	1	347.802	3.276	50	10		EGCAMM
COc1ccccc1-c1coc2c(ccc([O-])c2CN(C)C)c1=O	ZINC000019790382	212067612	/nfs/dbraw/zinc/06/76/12/212067612.db2.gz	ZXEHNIGPWQUWCN-UHFFFAOYSA-N	-1	1	325.364	3.236	50	10	biogenic	EGCAMM
Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000000199180	452532554	/nfs/dbraw/zinc/53/25/54/452532554.db2.gz	DYTIONWLDVSGHI-CXUHLZMHSA-N	-1	1	325.437	3.056	50	10		EGCAMM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc1	ZINC000000050426	209390576	/nfs/dbraw/zinc/39/05/76/209390576.db2.gz	BCJIEYZMVXAMKO-XMHGGMMESA-N	-1	1	349.434	3.303	50	10		EGCAMM
Cc1cccc(C)c1NC(=O)CSCC(=O)c1ccc([O-])c(O)c1	ZINC000000523032	452612902	/nfs/dbraw/zinc/61/29/02/452612902.db2.gz	GMGJJCWFPWBEMW-UHFFFAOYSA-N	-1	1	345.420	3.269	50	10		EGCAMM
O=[N+]([O-])c1ccc([O-])c(CN2CCN(c3cccc(Cl)c3)CC2)c1	ZINC000004980523	452830661	/nfs/dbraw/zinc/83/06/61/452830661.db2.gz	JEJVZRBCNYVVCQ-UHFFFAOYSA-N	-1	1	347.802	3.276	50	10		EGCAMM
COC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000100281613	219096020	/nfs/dbraw/zinc/09/60/20/219096020.db2.gz	LRAAXHGBZDXPBZ-ATVHPVEESA-N	-1	1	335.363	3.192	50	10		EGCAMM
O=C(c1coc2ccc([O-])c(CN3CCOCC3)c12)c1ccccc1	ZINC000019774995	212064397	/nfs/dbraw/zinc/06/43/97/212064397.db2.gz	XLCRVPITJLFMNO-UHFFFAOYSA-N	-1	1	337.375	3.202	50	10		EGCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)C1CC1	ZINC000017072577	453629303	/nfs/dbraw/zinc/62/93/03/453629303.db2.gz	VXGLVJGCJVMOHS-MDWZMJQESA-N	-1	1	349.433	3.301	50	10		EGCAMM
CC[C@@H](C)N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)[N-]C1=S	ZINC000006830031	276417249	/nfs/dbraw/zinc/41/72/49/276417249.db2.gz	HSMILGRKQZFRQJ-RLIURORJSA-N	-1	1	341.436	3.015	50	10		EGCAMM
COc1cc([N+](=O)[O-])cc(CN2CCCC[C@H]2c2cccnc2)c1[O-]	ZINC000022078448	295027200	/nfs/dbraw/zinc/02/72/00/295027200.db2.gz	FNNQKVZPXDTDMJ-INIZCTEOSA-N	-1	1	343.383	3.431	50	10		EGCAMM
CCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(C)c(C)c2)C1=O	ZINC000016671248	453619143	/nfs/dbraw/zinc/61/91/43/453619143.db2.gz	VFTASKULNGVSOJ-ATVHPVEESA-N	-1	1	336.391	3.164	50	10		EGCAMM
O=S(=O)([N-]c1cccc(Cl)c1Cl)c1cccc2nonc21	ZINC000032578730	453878757	/nfs/dbraw/zinc/87/87/57/453878757.db2.gz	WHIWMEKUCHBZIO-UHFFFAOYSA-N	-1	1	344.179	3.330	50	10		EGCAMM
COc1ccc(Oc2coc3c(ccc([O-])c3CN(C)C)c2=O)cc1	ZINC000019789745	212066365	/nfs/dbraw/zinc/06/63/65/212066365.db2.gz	VIAFHOBTJRDQEJ-UHFFFAOYSA-N	-1	1	341.363	3.361	50	10	biogenic	EGCAMM
CN1CC[NH+]([C@@H](c2cccs2)c2ccc3cccnc3c2[O-])CC1	ZINC000020507275	453666354	/nfs/dbraw/zinc/66/63/54/453666354.db2.gz	LZYJKFBBEIHIIQ-GOSISDBHSA-N	-1	1	339.464	3.339	50	10		EGCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000100024393	219088363	/nfs/dbraw/zinc/08/83/63/219088363.db2.gz	XCNGWDFBCWBPSX-GXDHUFHOSA-N	-1	1	338.323	3.019	50	10		EGCAMM
Cc1cc(O)c(Cl)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004184366	452795359	/nfs/dbraw/zinc/79/53/59/452795359.db2.gz	NNFCTFXYNQFMBL-UHFFFAOYSA-N	-1	1	342.760	3.063	50	10		EGCAMM
Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C)cc1	ZINC000008741307	453231129	/nfs/dbraw/zinc/23/11/29/453231129.db2.gz	UXJNEWZFTPBPAA-UHFFFAOYSA-N	-1	1	339.420	3.157	50	10		EGCAMM
Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C)cc1	ZINC000008741307	453231134	/nfs/dbraw/zinc/23/11/34/453231134.db2.gz	UXJNEWZFTPBPAA-UHFFFAOYSA-N	-1	1	339.420	3.157	50	10		EGCAMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C)cc1	ZINC000008741307	453231142	/nfs/dbraw/zinc/23/11/42/453231142.db2.gz	UXJNEWZFTPBPAA-UHFFFAOYSA-N	-1	1	339.420	3.157	50	10		EGCAMM
CCN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000000483045	452606066	/nfs/dbraw/zinc/60/60/66/452606066.db2.gz	MBNWQHDVZWRUIZ-CPNJWEJPSA-N	-1	1	349.434	3.221	50	10		EGCAMM
CCOc1cc(N(CC)CC)ccc1C=C1SC(=S)[N-]C1=O	ZINC000001001217	452640205	/nfs/dbraw/zinc/64/02/05/452640205.db2.gz	QWMYXNBUPLHMFL-NTEUORMPSA-N	-1	1	336.482	3.420	50	10		EGCAMM
COc1cc([O-])c(CN(C)C)c2oc(-c3ccccc3)cc(=O)c12	ZINC000012897004	453422793	/nfs/dbraw/zinc/42/27/93/453422793.db2.gz	DZMCYZBSYGOKLB-UHFFFAOYSA-N	-1	1	325.364	3.236	50	10	biogenic	EGCAMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(O)cc1	ZINC000013655860	453479004	/nfs/dbraw/zinc/47/90/04/453479004.db2.gz	BWXXUFGRRUXBMA-ZSOIEALJSA-N	-1	1	330.434	3.289	50	10		EGCAMM
CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc([O-])c(O)c4oc23)O1	ZINC000014560090	276099444	/nfs/dbraw/zinc/09/94/44/276099444.db2.gz	FSTNFJKGRSHPBO-UHFFFAOYSA-N	-1	1	326.304	3.247	50	10	biogenic,in-vitro	EGCAMM
C[C@@H]1CN(Cc2c([O-])ccc3c4ccccc4c(=O)oc32)C[C@H](C)O1	ZINC000013125313	453446437	/nfs/dbraw/zinc/44/64/37/453446437.db2.gz	PDSWZIXYNCJANZ-BETUJISGSA-N	-1	1	339.391	3.261	50	10		EGCAMM
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000015930686	453589577	/nfs/dbraw/zinc/58/95/77/453589577.db2.gz	FKRRHOOTCPNQDI-GDNBJRDFSA-N	-1	1	339.326	3.242	50	10		EGCAMM
CCOc1ccc(Br)c(C=C2SC(=S)[N-]C2=O)c1	ZINC000015016455	453551752	/nfs/dbraw/zinc/55/17/52/453551752.db2.gz	CSPNCTPXWLVGSU-POHAHGRESA-N	-1	1	344.255	3.337	50	10		EGCAMM
CCN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000015938862	453589713	/nfs/dbraw/zinc/58/97/13/453589713.db2.gz	MBNWQHDVZWRUIZ-UYRXBGFRSA-N	-1	1	349.434	3.221	50	10		EGCAMM
O=C(c1ccsc1)c1coc2ccc([O-])c(CN3CCOCC3)c21	ZINC000218519658	241329091	/nfs/dbraw/zinc/32/90/91/241329091.db2.gz	AXWLODUQMJPAOE-UHFFFAOYSA-N	-1	1	343.404	3.263	50	10		EGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(Sc2ccccc2)o1	ZINC000008767189	453232850	/nfs/dbraw/zinc/23/28/50/453232850.db2.gz	AASFVLVHAXPEOP-UHFFFAOYSA-N	-1	1	330.390	3.185	50	10		EGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(Sc2ccccc2)o1	ZINC000008767189	453232862	/nfs/dbraw/zinc/23/28/62/453232862.db2.gz	AASFVLVHAXPEOP-UHFFFAOYSA-N	-1	1	330.390	3.185	50	10		EGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Sc2ccccc2)o1	ZINC000008767189	453232870	/nfs/dbraw/zinc/23/28/70/453232870.db2.gz	AASFVLVHAXPEOP-UHFFFAOYSA-N	-1	1	330.390	3.185	50	10		EGCAMM
CCc1ccc(-n2c(C)cc(/C=C3\NC(=S)[N-]C3=O)c2C)cc1	ZINC000013810130	453490785	/nfs/dbraw/zinc/49/07/85/453490785.db2.gz	LMFPXHZGEJPJRE-YBEGLDIGSA-N	-1	1	325.437	3.002	50	10		EGCAMM
CC[C@H](C)N1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)[N-]C1=S	ZINC000038170395	1291402353	/nfs/dbraw/zinc/40/23/53/1291402353.db2.gz	GIMVWDZKPLKMMM-AAIQCTMTSA-N	-1	1	327.409	3.433	50	10		EGCAMM
CN(C)c1ccc(-n2cccc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000004675256	452813595	/nfs/dbraw/zinc/81/35/95/452813595.db2.gz	SUEIHGZGINNOFI-GXDHUFHOSA-N	-1	1	329.450	3.032	50	10		EGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1	ZINC000018101285	453643563	/nfs/dbraw/zinc/64/35/63/453643563.db2.gz	IBQPVPAYKGKVEE-UHFFFAOYSA-N	-1	1	332.768	3.355	50	10		EGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	ZINC000018101285	453643567	/nfs/dbraw/zinc/64/35/67/453643567.db2.gz	IBQPVPAYKGKVEE-UHFFFAOYSA-N	-1	1	332.768	3.355	50	10		EGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1	ZINC000018101285	453643571	/nfs/dbraw/zinc/64/35/71/453643571.db2.gz	IBQPVPAYKGKVEE-UHFFFAOYSA-N	-1	1	332.768	3.355	50	10		EGCAMM
Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc([O-])c(O)c1	ZINC000007129573	453036047	/nfs/dbraw/zinc/03/60/47/453036047.db2.gz	JANNEQMZMHQJJJ-UHFFFAOYSA-N	-1	1	340.404	3.473	50	10		EGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1	ZINC000017196692	453631015	/nfs/dbraw/zinc/63/10/15/453631015.db2.gz	NNWLPFQBLCNFON-UHFFFAOYSA-N	-1	1	332.768	3.355	50	10		EGCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	ZINC000017196692	453631018	/nfs/dbraw/zinc/63/10/18/453631018.db2.gz	NNWLPFQBLCNFON-UHFFFAOYSA-N	-1	1	332.768	3.355	50	10		EGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000017196692	453631022	/nfs/dbraw/zinc/63/10/22/453631022.db2.gz	NNWLPFQBLCNFON-UHFFFAOYSA-N	-1	1	332.768	3.355	50	10		EGCAMM
O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cccc2nonc21	ZINC000032579196	202227747	/nfs/dbraw/zinc/22/77/47/202227747.db2.gz	KOTPSQCRVVMHBL-UHFFFAOYSA-N	-1	1	344.179	3.330	50	10		EGCAMM
Cc1nn(-c2ccccc2)c(Cl)c1C=C1SC(=S)[N-]C1=O	ZINC000001234206	452649173	/nfs/dbraw/zinc/64/91/73/452649173.db2.gz	GZGZRNVWFMRFIZ-YRNVUSSQSA-N	-1	1	335.841	3.323	50	10		EGCAMM
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(C(=O)[O-])cc1	ZINC000015930668	453589664	/nfs/dbraw/zinc/58/96/64/453589664.db2.gz	SUQOJSLVGPDZOH-YBEGLDIGSA-N	-1	1	339.326	3.242	50	10		EGCAMM
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000015930668	453589665	/nfs/dbraw/zinc/58/96/65/453589665.db2.gz	SUQOJSLVGPDZOH-YBEGLDIGSA-N	-1	1	339.326	3.242	50	10		EGCAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1	ZINC000004950406	452826835	/nfs/dbraw/zinc/82/68/35/452826835.db2.gz	PCUFWOHPVHWOTL-UHFFFAOYSA-N	-1	1	342.760	3.063	50	10		EGCAMM
Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1C1CCCCC1	ZINC000008769041	453232454	/nfs/dbraw/zinc/23/24/54/453232454.db2.gz	QWNRTVZJEMWYAC-UHFFFAOYSA-N	-1	1	331.441	3.365	50	10		EGCAMM
Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1C1CCCCC1	ZINC000008769041	453232466	/nfs/dbraw/zinc/23/24/66/453232466.db2.gz	QWNRTVZJEMWYAC-UHFFFAOYSA-N	-1	1	331.441	3.365	50	10		EGCAMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1C1CCCCC1	ZINC000008769041	453232474	/nfs/dbraw/zinc/23/24/74/453232474.db2.gz	QWNRTVZJEMWYAC-UHFFFAOYSA-N	-1	1	331.441	3.365	50	10		EGCAMM
CCc1cc2c(=O)c(-c3cscn3)coc2c(CN(C)C)c1[O-]	ZINC000000190563	452531294	/nfs/dbraw/zinc/53/12/94/452531294.db2.gz	VOSFZMWFMWDBLW-UHFFFAOYSA-N	-1	1	330.409	3.246	50	10		EGCAMM
O=C1[N-]C(=S)S/C1=C/C=C/c1ccc(Br)cc1	ZINC000000983815	452640919	/nfs/dbraw/zinc/64/09/19/452640919.db2.gz	PZXQZLCVMLFUIP-XZMAOYBGSA-N	-1	1	326.240	3.494	50	10		EGCAMM
CCOc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O	ZINC000012339163	453355890	/nfs/dbraw/zinc/35/58/90/453355890.db2.gz	SBVXHCSICWCEJP-POHAHGRESA-N	-1	1	344.255	3.337	50	10		EGCAMM
COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)cc(O)c1O	ZINC000085412430	454027743	/nfs/dbraw/zinc/02/77/43/454027743.db2.gz	PTEBJNVVUJZLLE-AWEZNQCLSA-N	-1	1	349.412	3.063	50	10		EGCAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000004918791	210323610	/nfs/dbraw/zinc/32/36/10/210323610.db2.gz	REMVZNXYAXNTHB-UHFFFAOYSA-N	-1	1	342.760	3.063	50	10		EGCAMM
CCOc1ccccc1/C=C1\C(=O)[N-]N(c2ccc(C)c(C)c2)C1=O	ZINC000000356226	452570396	/nfs/dbraw/zinc/57/03/96/452570396.db2.gz	VFTASKULNGVSOJ-SFQUDFHCSA-N	-1	1	336.391	3.164	50	10		EGCAMM
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O	ZINC000004284235	210160862	/nfs/dbraw/zinc/16/08/62/210160862.db2.gz	PODGVDRDSYZZDI-UHFFFAOYSA-N	-1	1	342.760	3.063	50	10		EGCAMM
Cc1ccc(N2[N-]C(=O)/C(=C/c3c(O)ccc4ccccc43)C2=O)cc1	ZINC000334162942	258015826	/nfs/dbraw/zinc/01/58/26/258015826.db2.gz	IFDVJGASJBQSJG-PDGQHHTCSA-N	-1	1	344.370	3.315	50	10		EGCAMM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1	ZINC000005395090	452867322	/nfs/dbraw/zinc/86/73/22/452867322.db2.gz	HPECCBUHLXJVOT-CYVLTUHYSA-N	-1	1	347.418	3.138	50	10		EGCAMM
Cc1nc2ccccc2nc1SCC(=O)c1ccc([O-])c(O)c1	ZINC000028191003	453822489	/nfs/dbraw/zinc/82/24/89/453822489.db2.gz	YAGCOPGDGLCFSS-UHFFFAOYSA-N	-1	1	326.377	3.324	50	10		EGCAMM
CC(=O)N(/C=C/C=CC=C1SC(=S)[N-]C1=O)c1ccccc1	ZINC000016102001	453595049	/nfs/dbraw/zinc/59/50/49/453595049.db2.gz	PMHHNHPLHIUGHN-RTXGMDRESA-N	-1	1	330.434	3.141	50	10		EGCAMM
COc1ccccc1Oc1coc2c(ccc([O-])c2CN(C)C)c1=O	ZINC000020357805	212122680	/nfs/dbraw/zinc/12/26/80/212122680.db2.gz	PNRQNTHNZGMQJX-UHFFFAOYSA-N	-1	1	341.363	3.361	50	10		EGCAMM
O=C(Oc1cccc(/C=C2\SC(=S)[N-]C2=O)c1)c1ccccc1	ZINC000012375940	211360244	/nfs/dbraw/zinc/36/02/44/211360244.db2.gz	NVCYPDIMHXGUSQ-UVTDQMKNSA-N	-1	1	341.413	3.395	50	10		EGCAMM
CN(C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3F)coc21	ZINC000000302565	452558529	/nfs/dbraw/zinc/55/85/29/452558529.db2.gz	BNYCKKHXUMQANO-UHFFFAOYSA-N	-1	1	329.327	3.492	50	10		EGCAMM
CCCCCN1c2ccccc2C(=C2SC(=S)[N-]C2=O)C1=O	ZINC000013615121	453474368	/nfs/dbraw/zinc/47/43/68/453474368.db2.gz	DDORMDSQFBNRPW-SEYXRHQNSA-N	-1	1	332.450	3.082	50	10		EGCAMM
COc1ccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)cc1	ZINC000013799448	453488707	/nfs/dbraw/zinc/48/87/07/453488707.db2.gz	SMCNOSKTXTYUQD-DHDCSXOGSA-N	-1	1	328.393	3.427	50	10		EGCAMM
Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000018996589	453653682	/nfs/dbraw/zinc/65/36/82/453653682.db2.gz	QGDMQNWVATZLIT-WJDWOHSUSA-N	-1	1	335.363	3.412	50	10		EGCAMM
N=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)cc(Cl)c2[O-])N1	ZINC000018209507	303360519	/nfs/dbraw/zinc/36/05/19/303360519.db2.gz	SAMJRQNOFXVRHR-CYBMUJFWSA-N	-1	1	348.193	3.145	50	10		EGCAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc2c(c1)OCO2	ZINC000012591006	453379402	/nfs/dbraw/zinc/37/94/02/453379402.db2.gz	OYPFFKNFHKOFDM-UUASQNMZSA-N	-1	1	342.376	3.147	50	10		EGCAMM
COc1ccc(OC(F)(F)F)cc1C=C1SC(=S)[N-]C1=O	ZINC000669369088	548185370	/nfs/dbraw/zinc/18/53/70/548185370.db2.gz	ZUODYQUWKRYXBJ-UITAMQMPSA-N	-1	1	335.328	3.083	50	10		EGCAMM
CN(C)c1ccc(C=C2SC(=S)[N-]C2=O)cc1Br	ZINC000012414054	211373180	/nfs/dbraw/zinc/37/31/80/211373180.db2.gz	GPRQVVSDZSXVPY-POHAHGRESA-N	-1	1	343.271	3.004	50	10		EGCAMM
O=C1[N-]C(=S)S/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1	ZINC000001084647	452645040	/nfs/dbraw/zinc/64/50/40/452645040.db2.gz	SWAKUVSWZTUPBN-AWNIVKPZSA-N	-1	1	343.385	3.106	50	10		EGCAMM
CCn1cc(C=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)c2ccccc21	ZINC000017207589	453630720	/nfs/dbraw/zinc/63/07/20/453630720.db2.gz	LSZHJNPLNWYYMK-NTEUORMPSA-N	-1	1	339.420	3.291	50	10		EGCAMM
Cc1ccc(N2[N-]C(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1C	ZINC000019143299	212002273	/nfs/dbraw/zinc/00/22/73/212002273.db2.gz	FYZPOBZVNUFIFI-YVLHZVERSA-N	-1	1	331.375	3.246	50	10		EGCAMM
CN1C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)[N-]C1=S	ZINC000001238848	452648324	/nfs/dbraw/zinc/64/83/24/452648324.db2.gz	ZBMNRXPZRFMSBG-XYOKQWHBSA-N	-1	1	330.340	3.183	50	10		EGCAMM
CC(C)C(=O)Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[n-]1	ZINC000005726880	452900308	/nfs/dbraw/zinc/90/03/08/452900308.db2.gz	QEKYUYBMBIVPHD-UHFFFAOYSA-N	-1	1	348.617	3.469	50	10		EGCAMM
CCCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(C)cc2)C1=O	ZINC000016672068	453619334	/nfs/dbraw/zinc/61/93/34/453619334.db2.gz	IMRFOVAQMBXFNL-LGMDPLHJSA-N	-1	1	336.391	3.245	50	10		EGCAMM
CCCCN1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)[N-]C1=S	ZINC000038170609	1291402793	/nfs/dbraw/zinc/40/27/93/1291402793.db2.gz	CGEULIZJFCDBNX-LCYFTJDESA-N	-1	1	327.409	3.435	50	10		EGCAMM
COc1cc([N+](=O)[O-])cc(CN2CCCC[C@@H]2c2cccnc2)c1[O-]	ZINC000022078444	212277174	/nfs/dbraw/zinc/27/71/74/212277174.db2.gz	FNNQKVZPXDTDMJ-MRXNPFEDSA-N	-1	1	343.383	3.431	50	10		EGCAMM
Cc1csc(-c2coc3c(CN(C)C)c([O-])cc(C)c3c2=O)n1	ZINC000019771059	293013987	/nfs/dbraw/zinc/01/39/87/293013987.db2.gz	AIYPSJIZUYWNQU-UHFFFAOYSA-N	-1	1	330.409	3.301	50	10		EGCAMM
CCOC(=O)c1nc[n-]c1N=Nc1c(OC)cc(OC)cc1OC	ZINC000006564682	452953668	/nfs/dbraw/zinc/95/36/68/452953668.db2.gz	RPHHQZJRVDABAA-VHEBQXMUSA-N	-1	1	334.332	3.028	50	10		EGCAMM
Cc1[nH]n(-c2ccccc2C)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000004179583	210140040	/nfs/dbraw/zinc/14/00/40/210140040.db2.gz	GPDVZCLWJLZFGG-RVDMUPIBSA-N	-1	1	335.363	3.412	50	10		EGCAMM
CCc1ccc(N2[N-]C(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1	ZINC000019860336	212076271	/nfs/dbraw/zinc/07/62/71/212076271.db2.gz	VMIKQDDLZRCAJR-BOPFTXTBSA-N	-1	1	331.375	3.192	50	10		EGCAMM
O=S(=O)([N-]c1ccccc1Cl)c1cccc2nsnc21	ZINC000006742011	452980094	/nfs/dbraw/zinc/98/00/94/452980094.db2.gz	GGDWHZXSMXJIIA-UHFFFAOYSA-N	-1	1	325.802	3.146	50	10		EGCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000013590198	453472056	/nfs/dbraw/zinc/47/20/56/453472056.db2.gz	XCNGWDFBCWBPSX-UVTDQMKNSA-N	-1	1	338.323	3.019	50	10		EGCAMM
CC[C@H](C)N1C(=O)C(=CNc2ccc(C(C)C)cc2)C(=O)[N-]C1=S	ZINC000009245528	211058499	/nfs/dbraw/zinc/05/84/99/211058499.db2.gz	ZPLFBQVTNPVFLV-GQVHDAKQSA-N	-1	1	345.468	3.148	50	10		EGCAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(N(C)C)cc1	ZINC000015988039	453590097	/nfs/dbraw/zinc/59/00/97/453590097.db2.gz	NEGHUUSPBWXHOY-YBEGLDIGSA-N	-1	1	341.436	3.484	50	10		EGCAMM
COc1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c(OC)c1	ZINC000018038195	453641893	/nfs/dbraw/zinc/64/18/93/453641893.db2.gz	RHNHVWBRQMXIHT-VBKFSLOCSA-N	-1	1	337.379	3.422	50	10		EGCAMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cccc(O)c1	ZINC000013540990	453469535	/nfs/dbraw/zinc/46/95/35/453469535.db2.gz	NUFKCEBGECCOBV-AUWJEWJLSA-N	-1	1	330.434	3.289	50	10		EGCAMM
Cc1cc(/C=C2\NC(=S)[N-]C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000013800950	453490151	/nfs/dbraw/zinc/49/01/51/453490151.db2.gz	CRQIQBOXJOFFDR-ZSOIEALJSA-N	-1	1	331.828	3.093	50	10		EGCAMM
CC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1[O-])C2	ZINC000019312743	281612817	/nfs/dbraw/zinc/61/28/17/281612817.db2.gz	AQYGNZYOSKRYSB-UHFFFAOYSA-N	-1	1	337.261	3.201	50	10	biogenic	EGCAMM
N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)cc(Cl)c2[O-])N1	ZINC000018209503	303360388	/nfs/dbraw/zinc/36/03/88/303360388.db2.gz	SAMJRQNOFXVRHR-ZDUSSCGKSA-N	-1	1	348.193	3.145	50	10		EGCAMM
COc1cc(N2CCCCC2)ccc1C=C1SC(=S)[N-]C1=O	ZINC000004746686	452817433	/nfs/dbraw/zinc/81/74/33/452817433.db2.gz	NTYAYRBULMWIJI-NTEUORMPSA-N	-1	1	334.466	3.174	50	10		EGCAMM
Cc1cc(/C=C2\NC(=S)[N-]C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000013800218	453488770	/nfs/dbraw/zinc/48/87/70/453488770.db2.gz	NCCLMXWXIXPDQJ-SXGWCWSVSA-N	-1	1	325.437	3.056	50	10		EGCAMM
CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br	ZINC000015746191	453583800	/nfs/dbraw/zinc/58/38/00/453583800.db2.gz	YYXZQOKQUKOYNO-POHAHGRESA-N	-1	1	344.255	3.337	50	10		EGCAMM
O=C(Nc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1	ZINC000004770150	210274093	/nfs/dbraw/zinc/27/40/93/210274093.db2.gz	MSRBGBUFKKUCQV-UHFFFAOYSA-N	-1	1	343.338	3.420	50	10		EGCAMM
Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000000448581	452594163	/nfs/dbraw/zinc/59/41/63/452594163.db2.gz	XLBQSUOAZWNYJB-VGOFMYFVSA-N	-1	1	331.828	3.093	50	10		EGCAMM
C[C@H]1CN(Cc2c([O-])ccc3c4ccccc4c(=O)oc32)C[C@H](C)O1	ZINC000019791828	290860540	/nfs/dbraw/zinc/86/05/40/290860540.db2.gz	PDSWZIXYNCJANZ-STQMWFEESA-N	-1	1	339.391	3.261	50	10		EGCAMM
CC(C)=CCc1cc2c(=O)c3c(O)ccc(O)c3oc2c(O)c1[O-]	ZINC000014763075	275868547	/nfs/dbraw/zinc/86/85/47/275868547.db2.gz	FPOOJYQXDQYQKU-UHFFFAOYSA-N	-1	1	328.320	3.277	50	10	endogenous	EGCAMM
COc1ccc(-c2coc3c(ccc([O-])c3CN(C)C)c2=O)cc1	ZINC000020411886	212126292	/nfs/dbraw/zinc/12/62/92/212126292.db2.gz	ONLJPOVJEBGINZ-UHFFFAOYSA-N	-1	1	325.364	3.236	50	10	biogenic	EGCAMM
O=C1[N-]C(=S)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000012634979	453387666	/nfs/dbraw/zinc/38/76/66/453387666.db2.gz	AQEZUPQHAAIZRW-GHXNOFRVSA-N	-1	1	332.362	3.344	50	10		EGCAMM