smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1	ZINC000016431234	527048109	/nfs/dbraw/zinc/04/81/09/527048109.db2.gz	QRYPUIFXYWSUEW-JYRVWZFOSA-N	-1	0	490.266	2.274	40	10		JECBRM
COCCNC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)c2ccccc21	ZINC000006136187	554508214	/nfs/dbraw/zinc/50/82/14/554508214.db2.gz	OUMSJOXRKRZZON-UDWIEESQSA-N	-1	0	476.489	2.079	40	10		JECBRM
O=C(Cn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21)NC[C@H]1CCCO1	ZINC000409207257	570167643	/nfs/dbraw/zinc/16/76/43/570167643.db2.gz	UWZFCANDGYTMCY-BDBXIWDTSA-N	-1	0	464.522	2.341	40	10		JECBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1	ZINC000409221846	570174688	/nfs/dbraw/zinc/17/46/88/570174688.db2.gz	VJVDQSUCSYWFAQ-RCCKNPSSSA-N	-1	0	463.490	2.153	40	10		JECBRM
NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000409224320	570175546	/nfs/dbraw/zinc/17/55/46/570175546.db2.gz	KIPCTIMYNYPTQL-RIYZIHGNSA-N	-1	0	462.231	2.119	40	10		JECBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c1C	ZINC000409240459	570181746	/nfs/dbraw/zinc/18/17/46/570181746.db2.gz	KVAVBCAOWVNYBX-XSFVSMFZSA-N	-1	0	463.490	2.207	40	10		JECBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000409245920	570184147	/nfs/dbraw/zinc/18/41/47/570184147.db2.gz	AXKCAIUCEHMPLC-XSFVSMFZSA-N	-1	0	465.531	2.064	40	10		JECBRM
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(N)=O	ZINC000409270570	570189164	/nfs/dbraw/zinc/18/91/64/570189164.db2.gz	QYNOUDPKJPBMQT-QPEQYQDCSA-N	-1	0	490.335	2.153	40	10		JECBRM
CCn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c([N+](=O)[O-])cc2n(CC)c1=O	ZINC000408536289	570190315	/nfs/dbraw/zinc/19/03/15/570190315.db2.gz	VTWOHWQXCOVXIU-WYMLVPIESA-N	-1	0	464.438	2.330	40	10		JECBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3c(cc2N(C)C)n(C)c(=O)n3C)C1=O	ZINC000408536463	570190429	/nfs/dbraw/zinc/19/04/29/570190429.db2.gz	WOEOXNDOBHOOQH-FYWRMAATSA-N	-1	0	462.510	2.084	40	10		JECBRM
COc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000107618715	569856741	/nfs/dbraw/zinc/85/67/41/569856741.db2.gz	IKAIIERNRHTXRK-UHFFFAOYSA-N	-1	0	490.335	2.390	40	10		JECBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCC(=O)N1CCOCC1	ZINC000107934256	569857980	/nfs/dbraw/zinc/85/79/80/569857980.db2.gz	JIRQVPWMMVBPOR-LDADJPATSA-N	-1	0	471.897	2.048	40	10		JECBRM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1Br	ZINC000108286877	569859366	/nfs/dbraw/zinc/85/93/66/569859366.db2.gz	PQHDBEONAUJNBF-NTUHNPAUSA-N	-1	0	463.240	2.256	40	10		JECBRM
COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408904358	570070287	/nfs/dbraw/zinc/07/02/87/570070287.db2.gz	IFWFJPXUEXSQEQ-RUDMXATFSA-N	-1	0	451.263	2.252	40	10		JECBRM
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)[N-]C1=S	ZINC000408904244	570070341	/nfs/dbraw/zinc/07/03/41/570070341.db2.gz	GZVCYMHVXLJODC-OQLLNIDSSA-N	-1	0	474.336	2.453	40	10		JECBRM
O=C([O-])CCN1C(=O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=S	ZINC000409103822	570129325	/nfs/dbraw/zinc/12/93/25/570129325.db2.gz	ZDDOTNUWPLUTFX-GZTJUZNOSA-N	-1	0	459.549	2.176	40	10		JECBRM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCOCC1	ZINC000409162163	570152322	/nfs/dbraw/zinc/15/23/22/570152322.db2.gz	SFNNCSLTZYNOKC-KGENOOAVSA-N	-1	0	472.501	2.162	40	10		JECBRM
CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000261363652	570168093	/nfs/dbraw/zinc/16/80/93/570168093.db2.gz	VFMZZWZCEWIHEF-GOSISDBHSA-O	-1	0	471.431	2.294	40	10		JECBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1=O	ZINC000409240567	570181738	/nfs/dbraw/zinc/18/17/38/570181738.db2.gz	UOCJGJQUJHTDNZ-HMMYKYKNSA-N	-1	0	463.490	2.153	40	10		JECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNN3C(=O)c4cccc5cc(O)cc(c54)C3=O)C2=O)cc1	ZINC000408527642	570186530	/nfs/dbraw/zinc/18/65/30/570186530.db2.gz	DSUPVUVYDJNPOD-XDHOZWIPSA-N	-1	0	486.440	2.212	40	10		JECBRM
Cn1c2cc(Br)c(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2n(C)c1=O	ZINC000408528227	570186722	/nfs/dbraw/zinc/18/67/22/570186722.db2.gz	FQGBGRZYALDPBS-ZRDIBKRKSA-N	-1	0	470.283	2.218	40	10		JECBRM
Cc1ccc(S(=O)(=O)NN/C=C2\C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc1	ZINC000408531300	570187988	/nfs/dbraw/zinc/18/79/88/570187988.db2.gz	KGUTZDGXNYNZPF-QGOAFFKASA-N	-1	0	450.476	2.098	40	10		JECBRM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@@H]1CCCO1	ZINC000015228157	555887830	/nfs/dbraw/zinc/88/78/30/555887830.db2.gz	DGZWSUZGKURVNN-PBGVMVHZSA-N	-1	0	476.489	2.192	40	10		JECBRM
Cn1c(=O)c(C2=NNC(=O)C2=C2C(=O)Nc3cc(Br)ccc32)c([O-])c2ccccc21	ZINC000100260822	569756509	/nfs/dbraw/zinc/75/65/09/569756509.db2.gz	WHMWRUHDCUHFPJ-PFONDFGASA-N	-1	0	465.263	2.246	40	10		JECBRM
COC(=O)COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	ZINC000107814553	569857556	/nfs/dbraw/zinc/85/75/56/569857556.db2.gz	PBJRLJLPUZQUNU-ZSOIEALJSA-N	-1	0	476.239	2.371	40	10		JECBRM
NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000107931203	569858007	/nfs/dbraw/zinc/85/80/07/569858007.db2.gz	HDXJAGQMUAWFHD-SDQBBNPISA-N	-1	0	450.676	2.428	40	10		JECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(N)=O	ZINC000408961921	570086264	/nfs/dbraw/zinc/08/62/64/570086264.db2.gz	PJXFVTLXZIVNDP-OQLLNIDSSA-N	-1	0	488.294	2.378	40	10		JECBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)cc3)C2=O)cc1OC	ZINC000409223567	570175283	/nfs/dbraw/zinc/17/52/83/570175283.db2.gz	GZPKFIPHPIXGOP-GZTJUZNOSA-N	-1	0	453.451	2.015	40	10		JECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3OC)C2=O)c(OC)c1	ZINC000409231855	570178000	/nfs/dbraw/zinc/17/80/00/570178000.db2.gz	LBCOFLKICQXFLS-LDADJPATSA-N	-1	0	467.478	2.215	40	10		JECBRM
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@H](CCC(N)=O)C(=O)[O-])C1=O	ZINC000008870207	554765000	/nfs/dbraw/zinc/76/50/00/554765000.db2.gz	QOUFCFHIXAYDPJ-NKUXHIIISA-N	-1	0	461.565	2.059	40	10		JECBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)N1CCOCC1	ZINC000033722605	569632098	/nfs/dbraw/zinc/63/20/98/569632098.db2.gz	VNRCBHTZLABQDT-BOPFTXTBSA-N	-1	0	471.897	2.048	40	10		JECBRM
COC(=O)COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC	ZINC000408692072	570015284	/nfs/dbraw/zinc/01/52/84/570015284.db2.gz	CTSVTMPLYZQORB-NTUHNPAUSA-N	-1	0	481.299	2.414	40	10		JECBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OC(=O)c1ccccc1	ZINC000408888499	570065009	/nfs/dbraw/zinc/06/50/09/570065009.db2.gz	WDJYKDIQIUZNCD-UHFFFAOYSA-N	-1	0	492.225	2.268	40	10		JECBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409084402	570122576	/nfs/dbraw/zinc/12/25/76/570122576.db2.gz	XEDVBNKVIBXRIN-UHFFFAOYSA-N	-1	0	450.856	2.256	40	10		JECBRM
COCCCNC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21	ZINC000409142963	570145474	/nfs/dbraw/zinc/14/54/74/570145474.db2.gz	GECJRFVLQDUZJM-KGENOOAVSA-N	-1	0	474.517	2.456	40	10		JECBRM
COC(=O)CN1C(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)NC1=S	ZINC000409216602	570172837	/nfs/dbraw/zinc/17/28/37/570172837.db2.gz	MSGNRRFXVNHEIQ-WTKPLQERSA-N	-1	0	450.108	2.148	40	10		JECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(N)=O)C2=O)cc1	ZINC000409219365	570173847	/nfs/dbraw/zinc/17/38/47/570173847.db2.gz	LXFYZLAKDUODKW-MHWRWJLKSA-N	-1	0	488.294	2.378	40	10		JECBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000409220330	570174031	/nfs/dbraw/zinc/17/40/31/570174031.db2.gz	WYTWDGITRQEXLO-NTUHNPAUSA-N	-1	0	462.231	2.119	40	10		JECBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(N)=O	ZINC000409225248	570175684	/nfs/dbraw/zinc/17/56/84/570175684.db2.gz	NRJSIHCJGIZHHM-AWNIVKPZSA-N	-1	0	492.257	2.127	40	10		JECBRM
O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1)N1CCOCC1	ZINC000409246051	570184178	/nfs/dbraw/zinc/18/41/78/570184178.db2.gz	DEFSFMUTWAKVQU-CPNJWEJPSA-N	-1	0	469.881	2.244	40	10		JECBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(S(=O)(=O)N3CCOCC3)cc2C)C1=O	ZINC000408526406	570185966	/nfs/dbraw/zinc/18/59/66/570185966.db2.gz	BVRVUSFFIYOMJX-XDJHFCHBSA-N	-1	0	498.561	2.157	40	10		JECBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCCC2)C1=O	ZINC000408536335	570190344	/nfs/dbraw/zinc/19/03/44/570190344.db2.gz	WDVDXOODJGTAIC-OUKQBFOZSA-N	-1	0	462.466	2.456	40	10		JECBRM
O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c([N+](=O)[O-])cc2[nH]1	ZINC000016427970	527441838	/nfs/dbraw/zinc/44/18/38/527441838.db2.gz	FCFCELOZIXPATO-YFHOEESVSA-N	-1	0	487.226	2.106	40	10		JECBRM
CC(=O)N1C(=O)/C(=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21	ZINC000008871601	554767385	/nfs/dbraw/zinc/76/73/85/554767385.db2.gz	BQTVPMGJDCLWLM-ZCXUNETKSA-N	-1	0	481.511	2.488	40	10		JECBRM
Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)cc1	ZINC000408764793	570037687	/nfs/dbraw/zinc/03/76/87/570037687.db2.gz	VKSFRQLGIHXLEE-UHFFFAOYSA-N	-1	0	465.281	2.275	40	10		JECBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(O)c(I)c1	ZINC000408904429	570070255	/nfs/dbraw/zinc/07/02/55/570070255.db2.gz	JHKXOBZAXQQOHT-VZUCSPMQSA-N	-1	0	478.198	2.392	40	10		JECBRM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21)N1CCOCC1	ZINC000408963169	570086602	/nfs/dbraw/zinc/08/66/02/570086602.db2.gz	XOWZFVPBLWIGOW-QGOAFFKASA-N	-1	0	492.532	2.471	40	10		JECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1	ZINC000408968470	570088247	/nfs/dbraw/zinc/08/82/47/570088247.db2.gz	ZDJJWLQJEYMGQK-FYJGNVAPSA-N	-1	0	494.529	2.417	40	10		JECBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)c(OC)c3)C2=O)cc1OCC	ZINC000409221852	570174739	/nfs/dbraw/zinc/17/47/39/570174739.db2.gz	BARBJFUBMJRFNA-GZTJUZNOSA-N	-1	0	497.504	2.413	40	10		JECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)c(Br)c3)C2=O)cc1	ZINC000409222712	570174983	/nfs/dbraw/zinc/17/49/83/570174983.db2.gz	DMHNPCOSGNTEJV-OQLLNIDSSA-N	-1	0	488.294	2.378	40	10		JECBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(N)=O)C2=O)cc1OC	ZINC000409227537	570176377	/nfs/dbraw/zinc/17/63/77/570176377.db2.gz	ZMLMURBMNNYAOS-LFIBNONCSA-N	-1	0	453.451	2.015	40	10		JECBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3OC)C(=O)[N-]C2=S)cc1	ZINC000409232365	570178327	/nfs/dbraw/zinc/17/83/27/570178327.db2.gz	QINJXWZIWTVZTD-CPNJWEJPSA-N	-1	0	453.520	2.372	40	10		JECBRM
CCN(CC)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(CCc3ccccc3)C1=O)n(C)c(=O)n2C	ZINC000408526616	570186123	/nfs/dbraw/zinc/18/61/23/570186123.db2.gz	BSVLFRFWUUJEPB-FBMGVBCBSA-N	-1	0	490.564	2.340	40	10		JECBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)c(N3CCCC3)cc2n(C)c1=O	ZINC000408529149	570187081	/nfs/dbraw/zinc/18/70/81/570187081.db2.gz	HBQYSZDCLCSIEF-FBMGVBCBSA-N	-1	0	488.548	2.094	40	10		JECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1	ZINC000408529436	570187205	/nfs/dbraw/zinc/18/72/05/570187205.db2.gz	JPGLRCUIYOQYOH-HKWRFOASSA-N	-1	0	484.534	2.449	40	10		JECBRM
CN(C)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C1=O)n(C)c(=O)n2C	ZINC000408533004	570188783	/nfs/dbraw/zinc/18/87/83/570188783.db2.gz	NTICSTLUYYIZSZ-KAMYIIQDSA-N	-1	0	468.901	2.175	40	10		JECBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408534500	570189498	/nfs/dbraw/zinc/18/94/98/570189498.db2.gz	VTOJRNKJYSWPHW-XFXZXTDPSA-N	-1	0	470.829	2.017	40	10		JECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)N4CCOCC4)cc3)C2=O)cc1	ZINC000408535159	570189728	/nfs/dbraw/zinc/18/97/28/570189728.db2.gz	XUOHODZZCPGWIV-HMMYKYKNSA-N	-1	0	464.478	2.137	40	10		JECBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCOCC3)C2=O)c1	ZINC000408534958	570189802	/nfs/dbraw/zinc/18/98/02/570189802.db2.gz	RVMUQULRALFNSU-NTCAYCPXSA-N	-1	0	476.493	2.301	40	10		JECBRM
CCc1nnc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3C)C2=O)s1	ZINC000408536024	570190181	/nfs/dbraw/zinc/19/01/81/570190181.db2.gz	VGSBQYDTCKTJRW-JXMROGBWSA-N	-1	0	450.318	3.059	40	10		JECBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCOCC2)C1=O	ZINC000408536286	570190349	/nfs/dbraw/zinc/19/03/49/570190349.db2.gz	VTMZCQLWUKQXHZ-FYWRMAATSA-N	-1	0	476.493	2.246	40	10		JECBRM
O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)c(N3CCCC3)cc2[nH]1	ZINC000408537389	570190739	/nfs/dbraw/zinc/19/07/39/570190739.db2.gz	DJNKFHUIOHKZFG-JQIJEIRASA-N	-1	0	460.494	2.486	40	10		JECBRM
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)OC)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000009310876	555087003	/nfs/dbraw/zinc/08/70/03/555087003.db2.gz	UCJQNOVEEMPMLI-BOPFTXTBSA-N	-1	0	470.503	2.477	40	10		JECBRM
CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033668714	569630426	/nfs/dbraw/zinc/63/04/26/569630426.db2.gz	LDZYPLAMTJZSCL-ATTDUZETSA-N	-1	0	455.423	2.395	40	10		JECBRM
CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)c2cc(Br)ccc21	ZINC000035575692	569704885	/nfs/dbraw/zinc/70/48/85/569704885.db2.gz	IHNFFVYYGZZHHS-YLZXAQRJSA-N	-1	0	455.311	2.387	40	10		JECBRM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(I)c1O	ZINC000036613134	569778079	/nfs/dbraw/zinc/77/80/79/569778079.db2.gz	MQHCBPXPWXYZJA-RUDMXATFSA-N	-1	0	451.263	2.291	40	10		JECBRM
COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCC(=O)N1CCOCC1	ZINC000107934252	569857966	/nfs/dbraw/zinc/85/79/66/569857966.db2.gz	JIRQVPWMMVBPOR-PDGQHHTCSA-N	-1	0	471.897	2.048	40	10		JECBRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3ccc(N4CCOCC4)cc3)s2)c1	ZINC000223421420	569910764	/nfs/dbraw/zinc/91/07/64/569910764.db2.gz	WQNZAESIHYEQBL-UHFFFAOYSA-N	-1	0	473.580	2.414	40	10		JECBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)Nc1ccccc1I	ZINC000408752740	570034790	/nfs/dbraw/zinc/03/47/90/570034790.db2.gz	GLYGNPPGXGZLJK-UHFFFAOYSA-N	-1	0	491.241	2.058	40	10		JECBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000408951617	570084214	/nfs/dbraw/zinc/08/42/14/570084214.db2.gz	MBDSYNFFGBJTBW-OVCLIPMQSA-N	-1	0	468.418	2.032	40	10		JECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(N)=O	ZINC000409220192	570174035	/nfs/dbraw/zinc/17/40/35/570174035.db2.gz	ZAGLVUNWEGRRPL-RIYZIHGNSA-N	-1	0	488.294	2.378	40	10		JECBRM
CN(C)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3ccccc3Cl)C1=O)n(C)c(=O)n2C	ZINC000408535756	570190083	/nfs/dbraw/zinc/19/00/83/570190083.db2.gz	ZZIWDJNWPLWNHS-VAWYXSNFSA-N	-1	0	468.901	2.175	40	10		JECBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC	ZINC000033620832	569629012	/nfs/dbraw/zinc/62/90/12/569629012.db2.gz	JGMIGSQDKYGMPI-ATTDUZETSA-N	-1	0	455.423	2.395	40	10		JECBRM
CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)c2cc(Br)ccc21	ZINC000035575686	569704921	/nfs/dbraw/zinc/70/49/21/569704921.db2.gz	IHNFFVYYGZZHHS-BWLUOLFWSA-N	-1	0	455.311	2.387	40	10		JECBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccccc1F	ZINC000108214239	569859037	/nfs/dbraw/zinc/85/90/37/569859037.db2.gz	BOLVEIRRMYFPKV-UHFFFAOYSA-N	-1	0	462.231	2.355	40	10		JECBRM
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000409092605	570125370	/nfs/dbraw/zinc/12/53/70/570125370.db2.gz	VQPPDWYIMXWUSR-WUXMJOGZSA-N	-1	0	490.275	2.260	40	10		JECBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(N)=O)C2=O)cc1OCC	ZINC000409222346	570174822	/nfs/dbraw/zinc/17/48/22/570174822.db2.gz	BWZZZGPCFIPZHN-SFQUDFHCSA-N	-1	0	467.478	2.405	40	10		JECBRM
NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000409225351	570175815	/nfs/dbraw/zinc/17/58/15/570175815.db2.gz	ORHYDWVRPJTJAQ-UUILKARUSA-N	-1	0	479.232	2.432	40	10		JECBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409228040	570176513	/nfs/dbraw/zinc/17/65/13/570176513.db2.gz	ZKSNNVCJUKYRKU-VIZOYTHASA-N	-1	0	457.870	2.496	40	10		JECBRM
O=C(COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1)N1CCOCC1	ZINC000409242355	570182456	/nfs/dbraw/zinc/18/24/56/570182456.db2.gz	REQHCZIWADIIQV-CPNJWEJPSA-N	-1	0	485.949	2.409	40	10		JECBRM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C(=O)[N-]C1=S	ZINC000409244921	570183748	/nfs/dbraw/zinc/18/37/48/570183748.db2.gz	KPFWEFPLDHZLQK-HMMYKYKNSA-N	-1	0	479.558	2.318	40	10		JECBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000409246746	570184537	/nfs/dbraw/zinc/18/45/37/570184537.db2.gz	AWNLKZJHHHGDSL-XSFVSMFZSA-N	-1	0	465.531	2.064	40	10		JECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc(I)c1O	ZINC000409247552	570184844	/nfs/dbraw/zinc/18/48/44/570184844.db2.gz	DFBIBJDDRXSADW-WUXMJOGZSA-N	-1	0	479.230	2.457	40	10		JECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCOCC3)C2=O)c(C)c1	ZINC000408529879	570187405	/nfs/dbraw/zinc/18/74/05/570187405.db2.gz	IEWUITPTLIKKIK-NTCAYCPXSA-N	-1	0	476.493	2.301	40	10		JECBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(N)=O	ZINC000033664365	569630205	/nfs/dbraw/zinc/63/02/05/569630205.db2.gz	KDIWJOPLBAEBIF-GHXNOFRVSA-N	-1	0	480.702	2.437	40	10		JECBRM
CN1C(=O)/C(=C/c2cc(Br)c([O-])c(I)c2)C(=O)NC1=S	ZINC000408913502	570074088	/nfs/dbraw/zinc/07/40/88/570074088.db2.gz	LKXSVLVBTWNAFO-QHHAFSJGSA-N	-1	0	467.082	2.016	40	10		JECBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC	ZINC000408949364	570083853	/nfs/dbraw/zinc/08/38/53/570083853.db2.gz	HUEPOJMAAQRKHX-CXUHLZMHSA-N	-1	0	482.445	2.422	40	10		JECBRM
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000408950439	570083950	/nfs/dbraw/zinc/08/39/50/570083950.db2.gz	KGAZXPSLABTFGU-WLRTZDKTSA-N	-1	0	488.836	2.296	40	10		JECBRM
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(N)=O)cc2)C1=O	ZINC000408961646	570086156	/nfs/dbraw/zinc/08/61/56/570086156.db2.gz	CYERSASDYGFYSJ-OQLLNIDSSA-N	-1	0	458.268	2.288	40	10		JECBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408968422	570088241	/nfs/dbraw/zinc/08/82/41/570088241.db2.gz	YTLPCBZURLLNFR-DEDYPNTBSA-N	-1	0	464.503	2.408	40	10		JECBRM
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(Cl)cc3)C[C@@H]2C(=O)[O-])SC1=S	ZINC000256055379	570106939	/nfs/dbraw/zinc/10/69/39/570106939.db2.gz	DURLBDOPWTVBNY-HRYODUOUSA-N	-1	0	453.929	2.468	40	10		JECBRM
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000409183554	570160168	/nfs/dbraw/zinc/16/01/68/570160168.db2.gz	DAQWXBQGQGBAEX-RQZCQDPDSA-N	-1	0	452.419	2.412	40	10		JECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409219883	570173921	/nfs/dbraw/zinc/17/39/21/570173921.db2.gz	WEVXWMDWAHIEGJ-VGOFMYFVSA-N	-1	0	461.833	2.408	40	10		JECBRM
NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000409225330	570175891	/nfs/dbraw/zinc/17/58/91/570175891.db2.gz	MWXGQNPDHREUPJ-LFYBBSHMSA-N	-1	0	450.234	2.230	40	10		JECBRM
O=C(COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1)N1CCOCC1	ZINC000409239795	570181435	/nfs/dbraw/zinc/18/14/35/570181435.db2.gz	FEOYHWKJQAOWOL-XDHOZWIPSA-N	-1	0	485.949	2.409	40	10		JECBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)c1	ZINC000408533017	570188820	/nfs/dbraw/zinc/18/88/20/570188820.db2.gz	NVRSOCOBBWAZKL-NTCAYCPXSA-N	-1	0	462.510	2.139	40	10		JECBRM
Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1Br	ZINC000408535914	570190139	/nfs/dbraw/zinc/19/01/39/570190139.db2.gz	UPACCQJQHDBORB-NTEUORMPSA-N	-1	0	493.339	2.292	40	10		JECBRM
Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)cc1C	ZINC000016267924	526152332	/nfs/dbraw/zinc/15/23/32/526152332.db2.gz	UWTUMQGYKBOZBX-ZROIWOOFSA-N	-1	0	493.339	2.292	40	10		JECBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)OC(C)C	ZINC000034829284	569662956	/nfs/dbraw/zinc/66/29/56/569662956.db2.gz	FSXFMKUXOJHOOW-SXGWCWSVSA-N	-1	0	455.423	2.395	40	10		JECBRM
COC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000035316276	569680565	/nfs/dbraw/zinc/68/05/65/569680565.db2.gz	SPUXLOSSCKPQGA-ZSOIEALJSA-N	-1	0	461.268	2.471	40	10		JECBRM
O=C(COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O)Nc1ccccc1F	ZINC000109026087	569860334	/nfs/dbraw/zinc/86/03/34/569860334.db2.gz	YKALMRULKCVORP-UHFFFAOYSA-N	-1	0	462.231	2.355	40	10		JECBRM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1Br	ZINC000408692318	570015546	/nfs/dbraw/zinc/01/55/46/570015546.db2.gz	JRBAGOOVAVFJPS-MDWZMJQESA-N	-1	0	451.273	2.405	40	10		JECBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408965239	570087273	/nfs/dbraw/zinc/08/72/73/570087273.db2.gz	UWBIQDGUXMFEPQ-OQLLNIDSSA-N	-1	0	460.309	2.145	40	10		JECBRM
O=C(Cn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21)NC[C@@H]1CCCO1	ZINC000409207258	570167641	/nfs/dbraw/zinc/16/76/41/570167641.db2.gz	UWZFCANDGYTMCY-HRVJUDJTSA-N	-1	0	464.522	2.341	40	10		JECBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1	ZINC000409219985	570174058	/nfs/dbraw/zinc/17/40/58/570174058.db2.gz	SJLGNTXIWRTUHO-AWNIVKPZSA-N	-1	0	492.271	2.311	40	10		JECBRM
O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1)N1CCOCC1	ZINC000409220520	570174105	/nfs/dbraw/zinc/17/41/05/570174105.db2.gz	AYQZQFPIXAWAKO-XDHOZWIPSA-N	-1	0	469.881	2.244	40	10		JECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409223686	570175251	/nfs/dbraw/zinc/17/52/51/570175251.db2.gz	GZSCVLAAEOWYPV-MKMNVTDBSA-N	-1	0	488.840	2.177	40	10		JECBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c1	ZINC000409243408	570182951	/nfs/dbraw/zinc/18/29/51/570182951.db2.gz	YKPOELCNWNNITP-KGENOOAVSA-N	-1	0	463.490	2.207	40	10		JECBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)c1	ZINC000408530135	570187508	/nfs/dbraw/zinc/18/75/08/570187508.db2.gz	ITNHAVKALMXATE-SAPNQHFASA-N	-1	0	474.521	2.364	40	10		JECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)c(C)c1	ZINC000408530075	570187572	/nfs/dbraw/zinc/18/75/72/570187572.db2.gz	INTMYEIQANJEHA-NTCAYCPXSA-N	-1	0	462.510	2.139	40	10		JECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)cc1	ZINC000408531708	570188146	/nfs/dbraw/zinc/18/81/46/570188146.db2.gz	LGSIKJQDFLGYFU-VKAVYKQESA-N	-1	0	490.520	2.065	40	10		JECBRM
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=S)N([N-]C(=O)c4cccs4)C3=O)cc21	ZINC000408535223	570189911	/nfs/dbraw/zinc/18/99/11/570189911.db2.gz	VIKQXPBYRIVNFQ-AUWJEWJLSA-N	-1	0	475.533	2.393	40	10		JECBRM
COCCNC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000002316477	554145625	/nfs/dbraw/zinc/14/56/25/554145625.db2.gz	RHZOLPZVZNFIQL-WOJGMQOQSA-N	-1	0	450.451	2.499	40	10		JECBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Br)cc1I	ZINC000013915653	555647211	/nfs/dbraw/zinc/64/72/11/555647211.db2.gz	XIBOXETWKZOAOV-UHFFFAOYSA-N	-1	0	465.041	2.202	40	10		JECBRM
CCOC(=O)COc1c(OCC)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033647924	569629582	/nfs/dbraw/zinc/62/95/82/569629582.db2.gz	UYKWTDHRZNEOPL-YBEGLDIGSA-N	-1	0	455.423	2.397	40	10		JECBRM
Cn1c(=O)c(C2=NNC(=O)C2=C2C(=O)Nc3ccc(Br)cc32)c([O-])c2ccccc21	ZINC000100260842	569756514	/nfs/dbraw/zinc/75/65/14/569756514.db2.gz	GFJVFGFLGRWWEN-PFONDFGASA-N	-1	0	465.263	2.246	40	10		JECBRM
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCC(=O)N1CCOCC1	ZINC000107609682	569856699	/nfs/dbraw/zinc/85/66/99/569856699.db2.gz	HSPVETIBAJQQAQ-QNGOZBTKSA-N	-1	0	477.517	2.123	40	10		JECBRM
O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)Nc1ccc(Br)cc1	ZINC000199283777	569873944	/nfs/dbraw/zinc/87/39/44/569873944.db2.gz	UEJBQHXMAVRAHW-UHFFFAOYSA-N	-1	0	460.309	2.381	40	10		JECBRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1)c1ccccc1	ZINC000225698650	570015821	/nfs/dbraw/zinc/01/58/21/570015821.db2.gz	FQFCUGRGZYFORZ-UHFFFAOYSA-N	-1	0	459.553	2.106	40	10		JECBRM
COCCCNC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21	ZINC000409204038	570166618	/nfs/dbraw/zinc/16/66/18/570166618.db2.gz	BYTJBIALMGUHQN-UYRXBGFRSA-N	-1	0	452.511	2.198	40	10		JECBRM
CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000261363653	570168011	/nfs/dbraw/zinc/16/80/11/570168011.db2.gz	VFMZZWZCEWIHEF-SFHVURJKSA-O	-1	0	471.431	2.294	40	10		JECBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)c(OC)c3)C2=O)cc1OC	ZINC000409217933	570173312	/nfs/dbraw/zinc/17/33/12/570173312.db2.gz	FUKVWGGUPDVNNG-MHWRWJLKSA-N	-1	0	483.477	2.023	40	10		JECBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)c(OCC)c3)C2=O)cc1OC	ZINC000409224217	570175387	/nfs/dbraw/zinc/17/53/87/570175387.db2.gz	KGUUIJBEJOSNQJ-GZTJUZNOSA-N	-1	0	497.504	2.413	40	10		JECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(OC)c3)C2=O)cc1	ZINC000409227757	570176311	/nfs/dbraw/zinc/17/63/11/570176311.db2.gz	WILMCLFPQCLTGE-OVCLIPMQSA-N	-1	0	473.869	2.278	40	10		JECBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)[N-]C2=S)c1C	ZINC000409230660	570177648	/nfs/dbraw/zinc/17/76/48/570177648.db2.gz	FCINADBYFWWRNU-XSFVSMFZSA-N	-1	0	479.558	2.372	40	10		JECBRM
O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)c(N3CCOCC3)cc2[nH]1	ZINC000408526417	570186003	/nfs/dbraw/zinc/18/60/03/570186003.db2.gz	BWVWSEPZYXYLOW-VAWYXSNFSA-N	-1	0	482.884	2.337	40	10		JECBRM
CCc1nnc(NC(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)cc2)s1	ZINC000408531668	570188135	/nfs/dbraw/zinc/18/81/35/570188135.db2.gz	LCKMMDPDBPTRJH-ATVHPVEESA-N	-1	0	492.517	2.940	40	10		JECBRM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)c(C)c1	ZINC000408535729	570190000	/nfs/dbraw/zinc/19/00/00/570190000.db2.gz	ZWPWKHBPPPNBKA-FOWTUZBSSA-N	-1	0	476.537	2.447	40	10		JECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)cc1	ZINC000408536339	570190468	/nfs/dbraw/zinc/19/04/68/570190468.db2.gz	WDXLPVAHKJVZET-VKAVYKQESA-N	-1	0	474.521	2.364	40	10		JECBRM
O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c(N3CCOCC3)cc2[nH]1	ZINC000408537225	570190750	/nfs/dbraw/zinc/19/07/50/570190750.db2.gz	ZLRHXUBCTSNFCF-KAMYIIQDSA-N	-1	0	482.884	2.337	40	10		JECBRM
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3O[C@H](C)C(=O)[O-])C2=O)o1	ZINC000034761248	569657808	/nfs/dbraw/zinc/65/78/08/569657808.db2.gz	XJTADXYKDAUDGH-DZZSIBQASA-N	-1	0	457.439	2.077	40	10		JECBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)N1CCOCC1	ZINC000035352731	569681849	/nfs/dbraw/zinc/68/18/49/569681849.db2.gz	TXQOJHDRKJTUJO-PDGQHHTCSA-N	-1	0	485.924	2.438	40	10		JECBRM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C(=O)OCC	ZINC000096168986	569737019	/nfs/dbraw/zinc/73/70/19/569737019.db2.gz	KNOPLTLNHVQOBW-CMAIMYMYSA-N	-1	0	474.473	2.461	40	10		JECBRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3ccc(N4CCOCC4)cc3)s2)cc1	ZINC000225018160	569969447	/nfs/dbraw/zinc/96/94/47/569969447.db2.gz	RJCVVWVVOLXJNU-UHFFFAOYSA-N	-1	0	473.580	2.414	40	10		JECBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1O	ZINC000408692622	570015410	/nfs/dbraw/zinc/01/54/10/570015410.db2.gz	QWZCFMAKDQVRRE-IZZDOVSWSA-N	-1	0	456.236	2.410	40	10		JECBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)Nc1ccc(I)cc1	ZINC000408764228	570037635	/nfs/dbraw/zinc/03/76/35/570037635.db2.gz	LTOUTBOHYXXXBF-UHFFFAOYSA-N	-1	0	491.241	2.058	40	10		JECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)cc3)C2=O)c(OCC)c1	ZINC000408963889	570086823	/nfs/dbraw/zinc/08/68/23/570086823.db2.gz	PWNXTYLKOSTOTF-GZTJUZNOSA-N	-1	0	453.451	2.015	40	10		JECBRM
O=C([O-])[C@@H]1C[NH2+][C@@H](c2cc(I)cc(I)c2[O-])S1	ZINC000408977569	570090205	/nfs/dbraw/zinc/09/02/05/570090205.db2.gz	IZNCXDNYXGJUBG-IONNQARKSA-N	-1	0	477.061	2.390	40	10		JECBRM
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(Cl)cc3)C[C@H]2C(=O)[O-])SC1=S	ZINC000256055380	570106919	/nfs/dbraw/zinc/10/69/19/570106919.db2.gz	DURLBDOPWTVBNY-IAOKNECISA-N	-1	0	453.929	2.468	40	10		JECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)c(OCC)c3)C2=O)cc1	ZINC000409217163	570173115	/nfs/dbraw/zinc/17/31/15/570173115.db2.gz	AALCZJWLFKIUTJ-GZTJUZNOSA-N	-1	0	453.451	2.015	40	10		JECBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C(=O)[N-]C1=S	ZINC000409234772	570179289	/nfs/dbraw/zinc/17/92/89/570179289.db2.gz	YBOATSFWHWTSPL-XMHGGMMESA-N	-1	0	465.531	2.064	40	10		JECBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)C1=O	ZINC000408527386	570186355	/nfs/dbraw/zinc/18/63/55/570186355.db2.gz	DKOOBMZAUCIHCB-SFQUDFHCSA-N	-1	0	482.452	2.215	40	10		JECBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)c1C	ZINC000408527335	570186434	/nfs/dbraw/zinc/18/64/34/570186434.db2.gz	DIURAKYDFSPECB-QINSGFPZSA-N	-1	0	462.510	2.139	40	10		JECBRM
NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br	ZINC000409259782	570187445	/nfs/dbraw/zinc/18/74/45/570187445.db2.gz	FGPQWQKWOWLDNP-JYRVWZFOSA-N	-1	0	460.309	2.145	40	10		JECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)C2=O)cc1	ZINC000408534960	570189743	/nfs/dbraw/zinc/18/97/43/570189743.db2.gz	RWEAVRISMKRUBN-QINSGFPZSA-N	-1	0	462.466	2.456	40	10		JECBRM
COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OC	ZINC000409328662	570203138	/nfs/dbraw/zinc/20/31/38/570203138.db2.gz	ZOWPXEDPSTXVFY-QCDXTXTGSA-N	-1	0	476.326	2.295	40	10		JECBRM
COCCNC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21	ZINC000006245149	554521470	/nfs/dbraw/zinc/52/14/70/554521470.db2.gz	PRHYRHPRAMGDFL-DEDYPNTBSA-N	-1	0	460.490	2.379	40	10		JECBRM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(I)c1O	ZINC000013343807	555376656	/nfs/dbraw/zinc/37/66/56/555376656.db2.gz	MQHCBPXPWXYZJA-WTKPLQERSA-N	-1	0	451.263	2.291	40	10		JECBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC	ZINC000033620836	569629017	/nfs/dbraw/zinc/62/90/17/569629017.db2.gz	JGMIGSQDKYGMPI-YDRQLGOLSA-N	-1	0	455.423	2.395	40	10		JECBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCC(N)=O	ZINC000108250495	569859297	/nfs/dbraw/zinc/85/92/97/569859297.db2.gz	OPMYVKVPJJDYSY-ZSOIEALJSA-N	-1	0	460.284	2.173	40	10		JECBRM
COC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC	ZINC000408692033	570015346	/nfs/dbraw/zinc/01/53/46/570015346.db2.gz	BTLGMEYRGOFNEJ-NTUHNPAUSA-N	-1	0	481.299	2.414	40	10		JECBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)cc3)C2=O)cc1OCC	ZINC000409226588	570176047	/nfs/dbraw/zinc/17/60/47/570176047.db2.gz	VBWTWKJQTVPBOW-LDADJPATSA-N	-1	0	467.478	2.405	40	10		JECBRM
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000409233312	570178718	/nfs/dbraw/zinc/17/87/18/570178718.db2.gz	FLNQEQGYCURFIH-RCCKNPSSSA-N	-1	0	495.557	2.154	40	10		JECBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000409235301	570179370	/nfs/dbraw/zinc/17/93/70/570179370.db2.gz	BBVWCYZBQZYANZ-KGENOOAVSA-N	-1	0	495.557	2.154	40	10		JECBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408529088	570187130	/nfs/dbraw/zinc/18/71/30/570187130.db2.gz	IHASLHJQSLWKAM-XFXZXTDPSA-N	-1	0	470.829	2.017	40	10		JECBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409268172	570188876	/nfs/dbraw/zinc/18/88/76/570188876.db2.gz	RARWPFZCUGSLNF-ZSOIEALJSA-N	-1	0	459.911	2.434	40	10		JECBRM
O=C([O-])CN1C(=O)/C(=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c2ccccc21	ZINC000008821920	527607459	/nfs/dbraw/zinc/60/74/59/527607459.db2.gz	CPCIJYPFQOURMF-VXPUYCOJSA-N	-1	0	466.494	2.420	40	10		JECBRM
COCCNC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c2ccccc21	ZINC000006136188	554508183	/nfs/dbraw/zinc/50/81/83/554508183.db2.gz	GUIKTKUFLWJGGV-CPNJWEJPSA-N	-1	0	462.531	2.235	40	10		JECBRM
Cn1c(COc2ccccc2)nnc1Sc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1[N+](=O)[O-]	ZINC000059490108	569605946	/nfs/dbraw/zinc/60/59/46/569605946.db2.gz	BSJARRRPSNZQKA-UHFFFAOYSA-N	-1	0	480.462	2.203	40	10		JECBRM
COC(=O)COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1OC	ZINC000110221610	569860720	/nfs/dbraw/zinc/86/07/20/569860720.db2.gz	CTEJOECVTMQTHA-AWNIVKPZSA-N	-1	0	493.266	2.265	40	10		JECBRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1	ZINC000225832404	570023854	/nfs/dbraw/zinc/02/38/54/570023854.db2.gz	AIRBIDVICHZAMR-UHFFFAOYSA-N	-1	0	473.580	2.414	40	10		JECBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(O)cc1O	ZINC000408844098	570054199	/nfs/dbraw/zinc/05/41/99/570054199.db2.gz	BBNUZTSOPNMVAP-XCVCLJGOSA-N	-1	0	494.197	2.098	40	10		JECBRM
O=C([O-])[C@H]1C[NH2+][C@H](c2cc(I)cc(I)c2[O-])S1	ZINC000408977564	570090258	/nfs/dbraw/zinc/09/02/58/570090258.db2.gz	IZNCXDNYXGJUBG-APPZFPTMSA-N	-1	0	477.061	2.390	40	10		JECBRM
NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	ZINC000409222583	570174973	/nfs/dbraw/zinc/17/49/73/570174973.db2.gz	CIVSHBQSVVDBFN-LFYBBSHMSA-N	-1	0	479.232	2.432	40	10		JECBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(N)=O)c3)C2=O)cc1OC	ZINC000409226923	570176193	/nfs/dbraw/zinc/17/61/93/570176193.db2.gz	XVXRIVMEYWNOQZ-BOPFTXTBSA-N	-1	0	453.451	2.015	40	10		JECBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNn3c(C)nc4ccccc4c3=O)C2=O)ccc1Br	ZINC000408531234	570187981	/nfs/dbraw/zinc/18/79/81/570187981.db2.gz	NOWBUMJHDLWVFH-XNTDXEJSSA-N	-1	0	482.294	2.486	40	10		JECBRM
CN1C(=O)C(=Cc2cc(Br)c(OCC(=O)[O-])c(Br)c2)C(=O)N(C)C1=S	ZINC000059139384	195392427	/nfs/dbraw/zinc/39/24/27/195392427.db2.gz	JBZGHLCAVUVGSX-UHFFFAOYSA-N	-1	0	492.145	2.274	40	10		JECBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCC(N)=O	ZINC000033721243	569632090	/nfs/dbraw/zinc/63/20/90/569632090.db2.gz	XIEGAVAXRPQOHJ-ZSOIEALJSA-N	-1	0	460.284	2.173	40	10		JECBRM
O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)N1CCOCC1	ZINC000033825031	569635753	/nfs/dbraw/zinc/63/57/53/569635753.db2.gz	DDLYOTAJVTZTOE-AQTBWJFISA-N	-1	0	486.322	2.148	40	10		JECBRM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I	ZINC000034868381	569668168	/nfs/dbraw/zinc/66/81/68/569668168.db2.gz	TZHZSOXHYGPYIH-ZROIWOOFSA-N	-1	0	478.242	2.304	40	10		JECBRM
COC(=O)COc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC	ZINC000107829326	569857581	/nfs/dbraw/zinc/85/75/81/569857581.db2.gz	ZBCNKLCWZSHJCZ-OQLLNIDSSA-N	-1	0	461.268	2.471	40	10		JECBRM
NC(=O)COc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000108093041	569858597	/nfs/dbraw/zinc/85/85/97/569858597.db2.gz	AGJPVDWLLREDPJ-QPEQYQDCSA-N	-1	0	450.676	2.428	40	10		JECBRM
Cn1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2n(C)c1=O	ZINC000408902533	570069416	/nfs/dbraw/zinc/06/94/16/570069416.db2.gz	JGAWZCFSVAMFRH-NTEUORMPSA-N	-1	0	455.268	2.306	40	10		JECBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1	ZINC000408905526	570070614	/nfs/dbraw/zinc/07/06/14/570070614.db2.gz	YSTRLBVXFPEZPI-OVCLIPMQSA-N	-1	0	460.309	2.145	40	10		JECBRM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c2ccccc21)N1CCOCC1	ZINC000408962970	570086685	/nfs/dbraw/zinc/08/66/85/570086685.db2.gz	WNKIINRNIMQUMS-XSFVSMFZSA-N	-1	0	474.542	2.331	40	10		JECBRM
O=C([O-])CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC(=O)N2CCOCC2)SC1=S	ZINC000409109191	570131402	/nfs/dbraw/zinc/13/14/02/570131402.db2.gz	ZISYOKCFVSUHTC-XNTDXEJSSA-N	-1	0	470.956	2.254	40	10		JECBRM
CCc1cccc2c(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)cn(CC(=O)N3CCOCC3)c21	ZINC000409204994	570166903	/nfs/dbraw/zinc/16/69/03/570166903.db2.gz	FCFAUCANIATAFF-STZFKDTASA-N	-1	0	478.549	2.467	40	10		JECBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(N)=O)c3)C2=O)cc1OCC	ZINC000409218584	570173622	/nfs/dbraw/zinc/17/36/22/570173622.db2.gz	GJVMHPOQLRAXNQ-PDGQHHTCSA-N	-1	0	467.478	2.405	40	10		JECBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000409247791	570184797	/nfs/dbraw/zinc/18/47/97/570184797.db2.gz	NXEASRGCOXRGBU-XSFVSMFZSA-N	-1	0	479.558	2.372	40	10		JECBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000409249219	570185306	/nfs/dbraw/zinc/18/53/06/570185306.db2.gz	JUOJYQUPZBNHOF-KGENOOAVSA-N	-1	0	479.558	2.372	40	10		JECBRM
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1=O	ZINC000008870206	519348317	/nfs/dbraw/zinc/34/83/17/519348317.db2.gz	QOUFCFHIXAYDPJ-NMYGKSDESA-N	-1	0	461.565	2.059	40	10		JECBRM
O=C(COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)N1CCOCC1	ZINC000034793022	569660718	/nfs/dbraw/zinc/66/07/18/569660718.db2.gz	KIICVVRYEZBNHD-ATVHPVEESA-N	-1	0	486.322	2.148	40	10		JECBRM
CCn1c(=O)c(C2=NNC(=O)C2=CNc2c(C)n(C)n(-c3ccccc3)c2=O)c([O-])c2ccccc21	ZINC000101647295	569802346	/nfs/dbraw/zinc/80/23/46/569802346.db2.gz	HJUVHLQJJKWBKS-JXAWBTAJSA-N	-1	0	484.516	2.355	40	10		JECBRM
O=C([O-])[C@@H]1C[NH2+][C@H](c2cc(I)cc(I)c2[O-])S1	ZINC000408977567	570090213	/nfs/dbraw/zinc/09/02/13/570090213.db2.gz	IZNCXDNYXGJUBG-CBAPKCEASA-N	-1	0	477.061	2.390	40	10		JECBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1	ZINC000409040599	570107441	/nfs/dbraw/zinc/10/74/41/570107441.db2.gz	GXARVBNBHPHZPA-UHFFFAOYSA-N	-1	0	474.267	2.225	40	10		JECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409227748	570176314	/nfs/dbraw/zinc/17/63/14/570176314.db2.gz	WEFYEDXKHFINRI-VGOFMYFVSA-N	-1	0	488.840	2.177	40	10		JECBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)[N-]C2=S)cc1C	ZINC000409237417	570180359	/nfs/dbraw/zinc/18/03/59/570180359.db2.gz	IOGHVHGADGJKTP-KGENOOAVSA-N	-1	0	479.558	2.372	40	10		JECBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc(I)c1OC	ZINC000409237514	570180391	/nfs/dbraw/zinc/18/03/91/570180391.db2.gz	XDHOCWNGWUVNGX-WUXMJOGZSA-N	-1	0	479.230	2.370	40	10		JECBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000409238111	570180644	/nfs/dbraw/zinc/18/06/44/570180644.db2.gz	CCQPSYGJBCLKBM-RCCKNPSSSA-N	-1	0	479.558	2.318	40	10		JECBRM
CN(C)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C1=O)n(C)c(=O)n2C	ZINC000408527734	570186472	/nfs/dbraw/zinc/18/64/72/570186472.db2.gz	GHWTZBGDFHGTSV-KAMYIIQDSA-N	-1	0	468.901	2.175	40	10		JECBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)c(C)cc1Br	ZINC000408529834	570187393	/nfs/dbraw/zinc/18/73/93/570187393.db2.gz	KDLSBSQZEXMTPL-NTEUORMPSA-N	-1	0	493.339	2.292	40	10		JECBRM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)c(C)c1	ZINC000408532625	570188698	/nfs/dbraw/zinc/18/86/98/570188698.db2.gz	QORHVRJVXJNOPP-LDADJPATSA-N	-1	0	456.524	2.441	40	10		JECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)cc1C	ZINC000408534919	570189629	/nfs/dbraw/zinc/18/96/29/570189629.db2.gz	RSNQMYIGDVCMQJ-FOWTUZBSSA-N	-1	0	462.510	2.139	40	10		JECBRM
CCn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4OC)C3=O)c([N+](=O)[O-])cc2n(CC)c1=O	ZINC000408534888	570189658	/nfs/dbraw/zinc/18/96/58/570189658.db2.gz	RPPSBOLHNPLALT-OUKQBFOZSA-N	-1	0	494.464	2.338	40	10		JECBRM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C(=O)OCC	ZINC000003845630	194364365	/nfs/dbraw/zinc/36/43/65/194364365.db2.gz	KNOPLTLNHVQOBW-AQRXXJNJSA-N	-1	0	474.473	2.461	40	10		JECBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc(I)c1O	ZINC000009265491	555041383	/nfs/dbraw/zinc/04/13/83/555041383.db2.gz	XXUFZRPLKQTTPE-WZUFQYTHSA-N	-1	0	465.203	2.067	40	10		JECBRM
Nc1c(S(=O)(=O)[O-])cc(NS(=O)(=O)Cc2ccccc2)c2c1C(=O)c1ccccc1C2=O	ZINC000015080974	555872608	/nfs/dbraw/zinc/87/26/08/555872608.db2.gz	ICXVIQFALQEGHS-UHFFFAOYSA-N	-1	0	472.500	2.233	40	10		JECBRM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@H]1CCCO1	ZINC000015228159	555887914	/nfs/dbraw/zinc/88/79/14/555887914.db2.gz	DGZWSUZGKURVNN-MLHZQLSASA-N	-1	0	476.489	2.192	40	10		JECBRM
CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033668712	569630486	/nfs/dbraw/zinc/63/04/86/569630486.db2.gz	LDZYPLAMTJZSCL-YDRQLGOLSA-N	-1	0	455.423	2.395	40	10		JECBRM
COC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033719163	569631855	/nfs/dbraw/zinc/63/18/55/569631855.db2.gz	QSISJWGTOGSFKB-QPEQYQDCSA-N	-1	0	476.239	2.371	40	10		JECBRM
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3O[C@@H](C)C(=O)[O-])C2=O)o1	ZINC000034761241	569657852	/nfs/dbraw/zinc/65/78/52/569657852.db2.gz	XJTADXYKDAUDGH-PFSWGADMSA-N	-1	0	457.439	2.077	40	10		JECBRM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1I	ZINC000408692826	570015574	/nfs/dbraw/zinc/01/55/74/570015574.db2.gz	WHDTYCSYGMDXHJ-MDWZMJQESA-N	-1	0	498.273	2.247	40	10		JECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)OC	ZINC000408956099	570084948	/nfs/dbraw/zinc/08/49/48/570084948.db2.gz	WAVBVJJLDZXLFH-OVCLIPMQSA-N	-1	0	468.418	2.032	40	10		JECBRM
O=C([O-])[C@H]1C[NH2+][C@@H](c2cc(I)cc(I)c2[O-])S1	ZINC000408977571	570090277	/nfs/dbraw/zinc/09/02/77/570090277.db2.gz	IZNCXDNYXGJUBG-VXNVDRBHSA-N	-1	0	477.061	2.390	40	10		JECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409224351	570175557	/nfs/dbraw/zinc/17/55/57/570175557.db2.gz	LBQJTANGLGRBTA-OVCLIPMQSA-N	-1	0	473.869	2.278	40	10		JECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1C	ZINC000409228290	570176578	/nfs/dbraw/zinc/17/65/78/570176578.db2.gz	WUEKXUYZCATRNI-KGENOOAVSA-N	-1	0	463.490	2.207	40	10		JECBRM
NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000409259412	570187323	/nfs/dbraw/zinc/18/73/23/570187323.db2.gz	ZHUGZZINVMHWCD-ZROIWOOFSA-N	-1	0	460.309	2.145	40	10		JECBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCOCC3)C2=O)c1C	ZINC000408532642	570188659	/nfs/dbraw/zinc/18/86/59/570188659.db2.gz	QPOFLSNCOGSFFO-QINSGFPZSA-N	-1	0	476.493	2.301	40	10		JECBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c(N3CCCCC3)cc2n(C)c1=O	ZINC000408536767	570190665	/nfs/dbraw/zinc/19/06/65/570190665.db2.gz	XYCPQGCIPXBNEV-BMRADRMJSA-N	-1	0	474.521	2.446	40	10		JECBRM