smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000012629017	195061336	/nfs/dbraw/zinc/06/13/36/195061336.db2.gz	WMEWJWKXVPAAJK-DEDYPNTBSA-N	-2	0	460.442	4.018	50	10		JICARL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)o1	ZINC000000682046	553754396	/nfs/dbraw/zinc/75/43/96/553754396.db2.gz	UDZLOHSTKQOKOE-LFIBNONCSA-N	-2	0	466.902	4.438	50	10		JICARL
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)[N-]C1=S	ZINC000002301875	554139685	/nfs/dbraw/zinc/13/96/85/554139685.db2.gz	DSYDHTCEVHUCPE-KGENOOAVSA-N	-2	0	472.522	4.104	50	10		JICARL
Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(=O)[O-])c3)C2=O)o1	ZINC000013838803	555630672	/nfs/dbraw/zinc/63/06/72/555630672.db2.gz	DPIJDJUUDBSXKS-WOJGMQOQSA-N	-3	0	460.398	4.158	50	10		JICARL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O	ZINC000014132989	555700673	/nfs/dbraw/zinc/70/06/73/555700673.db2.gz	HGPVKYZBJGYGRQ-LFIBNONCSA-N	-2	0	450.834	4.273	50	10		JICARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)c1	ZINC000017058360	556214475	/nfs/dbraw/zinc/21/44/75/556214475.db2.gz	YNFJTHRUFFSVBU-BOPFTXTBSA-N	-2	0	450.834	4.477	50	10		JICARL
COc1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(C)cc3C)CC2)cc1	ZINC000032961938	569602546	/nfs/dbraw/zinc/60/25/46/569602546.db2.gz	QEAGFJNWDOHJAQ-UHFFFAOYSA-N	-2	0	495.601	4.138	50	10		JICARL
COc1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1	ZINC000032961939	569602550	/nfs/dbraw/zinc/60/25/50/569602550.db2.gz	ZTIUOBNMKMKJRR-UHFFFAOYSA-N	-2	0	495.601	4.138	50	10		JICARL
COc1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1	ZINC000032961936	569602582	/nfs/dbraw/zinc/60/25/82/569602582.db2.gz	LHOLDMLINGMVFQ-UHFFFAOYSA-N	-2	0	495.601	4.138	50	10		JICARL
Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@@H]2c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000001033159	194006260	/nfs/dbraw/zinc/00/62/60/194006260.db2.gz	WEAKQHIQAPVOTR-FQEVSTJZSA-N	-2	0	478.357	4.467	50	10		JICARL
O=C([O-])c1cccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)c1	ZINC000001827770	194147490	/nfs/dbraw/zinc/14/74/90/194147490.db2.gz	CSRQCMWRXQPYSN-GZTJUZNOSA-N	-2	0	481.258	4.278	50	10		JICARL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)c1	ZINC000009892563	195016351	/nfs/dbraw/zinc/01/63/51/195016351.db2.gz	CGDGCGQLILWYPY-AWNIVKPZSA-N	-2	0	494.139	4.200	50	10		JICARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000016115434	520629044	/nfs/dbraw/zinc/62/90/44/520629044.db2.gz	WZFPHEBFNGGVRX-YUSFRKCESA-N	-2	0	458.854	4.097	50	10		JICARL
O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)C1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000016156449	527045625	/nfs/dbraw/zinc/04/56/25/527045625.db2.gz	NXHDHWGJMNFXSE-YHYXMXQVSA-N	-2	0	455.732	4.479	50	10		JICARL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000000980458	553890734	/nfs/dbraw/zinc/89/07/34/553890734.db2.gz	YZLIIAQAQBBQFN-PDGQHHTCSA-N	-2	0	477.517	4.071	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)o2)cc1Cl	ZINC000002208757	554094069	/nfs/dbraw/zinc/09/40/69/554094069.db2.gz	KKQKQYFBKJTKCB-MHWRWJLKSA-N	-2	0	454.797	4.104	50	10		JICARL
Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)c(Br)c1	ZINC000008818983	554703331	/nfs/dbraw/zinc/70/33/31/554703331.db2.gz	LOERHRYBPBVMIB-BKNIFWKGSA-N	-2	0	496.360	4.147	50	10		JICARL
C[C@@H](Sc1cc([N-]S(=O)(=O)c2cccc3cccnc32)c2ccccc2c1O)C(=O)[O-]	ZINC000008870863	554765694	/nfs/dbraw/zinc/76/56/94/554765694.db2.gz	MPQXNCLNKVMRMP-CYBMUJFWSA-N	-2	0	454.529	4.460	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	ZINC000010232846	555657741	/nfs/dbraw/zinc/65/77/41/555657741.db2.gz	PFAFRTNVAFOOKN-AISSWFOISA-N	-2	0	471.434	4.095	50	10		JICARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1	ZINC000017112980	556217994	/nfs/dbraw/zinc/21/79/94/556217994.db2.gz	ATIGYGFXQQREGY-BOPFTXTBSA-N	-2	0	466.833	4.178	50	10		JICARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O	ZINC000018021093	556277236	/nfs/dbraw/zinc/27/72/36/556277236.db2.gz	LHBFCERPQKIWCE-PCJMVEANSA-N	-2	0	483.347	4.002	50	10		JICARL
O=C([O-])CN1C(=O)/C(=C\c2cc(C34CC5CC(CC(C5)C3)C4)cc([N+](=O)[O-])c2[O-])SC1=S	ZINC000037369922	569784139	/nfs/dbraw/zinc/78/41/39/569784139.db2.gz	NDIPHFOTILUNBJ-YAXRCOADSA-N	-2	0	474.560	4.054	50	10		JICARL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)n1	ZINC000217684907	569881079	/nfs/dbraw/zinc/88/10/79/569881079.db2.gz	RQSGQRPIYBTUCZ-TXTKFYIRSA-N	-2	0	476.558	4.419	50	10		JICARL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000016160777	520894274	/nfs/dbraw/zinc/89/42/74/520894274.db2.gz	UOCCPSIYQWVIGQ-PDGQHHTCSA-N	-2	0	473.967	4.316	50	10		JICARL
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C(=O)[O-]	ZINC000016226241	523415600	/nfs/dbraw/zinc/41/56/00/523415600.db2.gz	DSRVKNPGJKZGQZ-STZFKDTASA-N	-2	0	472.453	4.479	50	10		JICARL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)o1	ZINC000001184029	526234522	/nfs/dbraw/zinc/23/45/22/526234522.db2.gz	YHTWBIAGZUJOKU-WQRHYEAKSA-N	-2	0	495.285	4.382	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1	ZINC000001203732	526359694	/nfs/dbraw/zinc/35/96/94/526359694.db2.gz	PLHRJBXKMSMDBB-GZTJUZNOSA-N	-2	0	481.258	4.074	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	ZINC000010232803	555657482	/nfs/dbraw/zinc/65/74/82/555657482.db2.gz	HJIQZYMJLJJHQY-KXQKXUNCSA-N	-2	0	472.327	4.383	50	10		JICARL
CSc1nnc(-c2cc(Br)ccc2N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c(=O)[n-]1	ZINC000100381457	569758307	/nfs/dbraw/zinc/75/83/07/569758307.db2.gz	RJBJDIJUTRXQBQ-WJDWOHSUSA-N	-2	0	497.378	4.447	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	ZINC000008763602	194479291	/nfs/dbraw/zinc/47/92/91/194479291.db2.gz	MVRUWJIMYXOZGV-PZHUPROXSA-N	-2	0	472.327	4.383	50	10		JICARL
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000016427937	527055863	/nfs/dbraw/zinc/05/58/63/527055863.db2.gz	MVQFJQDGKRYSEU-VZUCSPMQSA-N	-2	0	472.147	4.293	50	10		JICARL
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1	ZINC000016226283	527615913	/nfs/dbraw/zinc/61/59/13/527615913.db2.gz	MOPPNANBUKOPCZ-HYARGMPZSA-N	-2	0	472.453	4.236	50	10		JICARL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000001178065	553926985	/nfs/dbraw/zinc/92/69/85/553926985.db2.gz	RZMZHPPEZHADQE-WZUFQYTHSA-N	-2	0	499.785	4.038	50	10		JICARL
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000009311597	555088131	/nfs/dbraw/zinc/08/81/31/555088131.db2.gz	PMTMACIICSWRIZ-NYYWCZLTSA-N	-2	0	456.079	4.128	50	10		JICARL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	ZINC000020149436	555665015	/nfs/dbraw/zinc/66/50/15/555665015.db2.gz	HZPMQQBISLFIJG-KGENOOAVSA-N	-2	0	472.453	4.236	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000012363193	555958870	/nfs/dbraw/zinc/95/88/70/555958870.db2.gz	NLLSTAVCSLOOPA-VCHYOVAHSA-N	-2	0	497.935	4.416	50	10		JICARL
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000100361050	569758101	/nfs/dbraw/zinc/75/81/01/569758101.db2.gz	GXAINUJWJLZRPI-KGNHYALCSA-N	-2	0	455.521	4.240	50	10		JICARL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)n1	ZINC000217684822	569881085	/nfs/dbraw/zinc/88/10/85/569881085.db2.gz	RQSGQRPIYBTUCZ-ZRCGQRJVSA-N	-2	0	476.558	4.419	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000002968767	194186601	/nfs/dbraw/zinc/18/66/01/194186601.db2.gz	FOPOSXIYFISPTP-LICLKQGHSA-N	-2	0	497.935	4.416	50	10		JICARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	ZINC000009884796	195013981	/nfs/dbraw/zinc/01/39/81/195013981.db2.gz	VKBXZUCQQMQLIO-GULXKOIASA-N	-2	0	451.909	4.119	50	10		JICARL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)n1	ZINC000012446229	524591053	/nfs/dbraw/zinc/59/10/53/524591053.db2.gz	RQSGQRPIYBTUCZ-QTEQDKRBSA-N	-2	0	476.558	4.419	50	10		JICARL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)c1	ZINC000002930145	554411324	/nfs/dbraw/zinc/41/13/24/554411324.db2.gz	CSRQCMWRXQPYSN-BOPFTXTBSA-N	-2	0	481.258	4.074	50	10		JICARL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)n1	ZINC000012446233	524591592	/nfs/dbraw/zinc/59/15/92/524591592.db2.gz	RQSGQRPIYBTUCZ-VIZSFHNOSA-N	-2	0	476.558	4.419	50	10		JICARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	ZINC000002597601	527594091	/nfs/dbraw/zinc/59/40/91/527594091.db2.gz	WMFXEKLTQGSVET-NCPSJORJSA-N	-2	0	496.360	4.228	50	10		JICARL
Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000002735662	554319220	/nfs/dbraw/zinc/31/92/20/554319220.db2.gz	YLAMHOYEPAPBLC-KGENOOAVSA-N	-2	0	472.522	4.104	50	10		JICARL
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000020171930	555681137	/nfs/dbraw/zinc/68/11/37/555681137.db2.gz	YMGAZZXHMLAKGP-JVVDOCDTSA-N	-2	0	452.463	4.179	50	10		JICARL
Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@H]2c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000001033160	194006273	/nfs/dbraw/zinc/00/62/73/194006273.db2.gz	WEAKQHIQAPVOTR-HXUWFJFHSA-N	-2	0	478.357	4.467	50	10		JICARL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000015012668	520628410	/nfs/dbraw/zinc/62/84/10/520628410.db2.gz	JDPPOUXPLXOODT-HIXWQLQUSA-N	-2	0	468.531	4.171	50	10		JICARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)cc1Cl	ZINC000016225912	524927695	/nfs/dbraw/zinc/92/76/95/524927695.db2.gz	BCDFGPXOOWLOFN-WCIBSUBMSA-N	-2	0	470.106	4.436	50	10		JICARL
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1	ZINC000016265686	526368611	/nfs/dbraw/zinc/36/86/11/526368611.db2.gz	BFDJZPGVYOEFQD-FYJGNVAPSA-N	-2	0	487.424	4.379	50	10		JICARL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000002833382	554368467	/nfs/dbraw/zinc/36/84/67/554368467.db2.gz	HAXJYSXJIQRAKJ-KGENOOAVSA-N	-2	0	486.480	4.029	50	10		JICARL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000100535700	569764075	/nfs/dbraw/zinc/76/40/75/569764075.db2.gz	LMBWMODVQSVIHJ-LDADJPATSA-N	-2	0	473.967	4.316	50	10		JICARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)cc1	ZINC000009892562	195016397	/nfs/dbraw/zinc/01/63/97/195016397.db2.gz	HYVCYOTWRNUUNC-HZHRSRAPSA-N	-2	0	470.481	4.193	50	10		JICARL
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000002308492	554142874	/nfs/dbraw/zinc/14/28/74/554142874.db2.gz	SIEJUTUWEKUJGP-GZTJUZNOSA-N	-2	0	482.901	4.138	50	10		JICARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C2=O)cc1	ZINC000002727126	554313035	/nfs/dbraw/zinc/31/30/35/554313035.db2.gz	CEHUTNOJSOMDAS-RGVLZGJSSA-N	-2	0	493.903	4.121	50	10		JICARL
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[N-]C1=S	ZINC000009311337	555087777	/nfs/dbraw/zinc/08/77/77/555087777.db2.gz	WDWTWYAKXVDZJP-WJDWOHSUSA-N	-2	0	466.902	4.438	50	10		JICARL
CC(=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100423097	569759960	/nfs/dbraw/zinc/75/99/60/569759960.db2.gz	WYNWGCBCYLFMKK-STZFKDTASA-N	-2	0	482.953	4.039	50	10		JICARL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000015012669	520628922	/nfs/dbraw/zinc/62/89/22/520628922.db2.gz	JDPPOUXPLXOODT-IIMQCXAKSA-N	-2	0	468.531	4.171	50	10		JICARL
CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000016688274	520629306	/nfs/dbraw/zinc/62/93/06/520629306.db2.gz	FLRGWAPKGAYXJQ-ODLFYWEKSA-N	-2	0	473.441	4.232	50	10		JICARL
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000002163892	524384085	/nfs/dbraw/zinc/38/40/85/524384085.db2.gz	NRNJDUCMNOYFPM-GZTJUZNOSA-N	-2	0	482.901	4.138	50	10		JICARL
O=C([O-])COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1Cl	ZINC000033321698	527614627	/nfs/dbraw/zinc/61/46/27/527614627.db2.gz	XOADUEXLDSHPNC-XGICHPGQSA-N	-2	0	469.277	4.268	50	10		JICARL
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[N-]C1=S	ZINC000002240781	554109760	/nfs/dbraw/zinc/10/97/60/554109760.db2.gz	WDWTWYAKXVDZJP-LFIBNONCSA-N	-2	0	466.902	4.438	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000009324536	555097080	/nfs/dbraw/zinc/09/70/80/555097080.db2.gz	VJJOLVVXJOGENL-CPNJWEJPSA-N	-2	0	489.553	4.399	50	10		JICARL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000013575955	555514998	/nfs/dbraw/zinc/51/49/98/555514998.db2.gz	GAINBVXCMRKCDX-FYJGNVAPSA-N	-2	0	496.980	4.266	50	10		JICARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	ZINC000010232801	555657431	/nfs/dbraw/zinc/65/74/31/555657431.db2.gz	VKBXZUCQQMQLIO-MLJKTZRHSA-N	-2	0	451.909	4.119	50	10		JICARL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000002968920	194186592	/nfs/dbraw/zinc/18/65/92/194186592.db2.gz	RQPAZYYVPYMLDG-RCCKNPSSSA-N	-2	0	470.481	4.193	50	10		JICARL
O=C1c2ncccc2C(S(=O)(=O)[O-])=CC1=NNc1ccc2cc(S(=O)(=O)[O-])ccc2c1	ZINC000003954176	194367310	/nfs/dbraw/zinc/36/73/10/194367310.db2.gz	XGMFVZOKHBRUTL-QURGRASLSA-N	-2	0	459.461	4.002	50	10	in-vitro	JICARL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C(=O)[N-]C2=S)c1C	ZINC000009323234	194691513	/nfs/dbraw/zinc/69/15/13/194691513.db2.gz	ICZBKZZEJDYIEH-XDHOZWIPSA-N	-2	0	460.511	4.401	50	10		JICARL
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)c1	ZINC000002995447	526389052	/nfs/dbraw/zinc/38/90/52/526389052.db2.gz	UEUGRVVEYRPPLU-YBFXNURJSA-N	-2	0	494.862	4.423	50	10		JICARL
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000002304739	554141172	/nfs/dbraw/zinc/14/11/72/554141172.db2.gz	NSRSKRPWSRSHFK-VIZOYTHASA-N	-2	0	477.300	4.247	50	10		JICARL
O=C([O-])c1cc(Br)ccc1-c1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)o1	ZINC000013894460	555642230	/nfs/dbraw/zinc/64/22/30/555642230.db2.gz	MVBMRUODWFNGLO-YVLHZVERSA-N	-2	0	471.238	4.008	50	10		JICARL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000015012673	555854378	/nfs/dbraw/zinc/85/43/78/555854378.db2.gz	DGTFBNPAADDCCX-DZZSIBQASA-N	-2	0	474.922	4.262	50	10		JICARL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)o2)c1	ZINC000002121553	194157150	/nfs/dbraw/zinc/15/71/50/194157150.db2.gz	DXBOJNWFAVVHEN-BOPFTXTBSA-N	-2	0	497.326	4.239	50	10		JICARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)cc1	ZINC000016691682	521033465	/nfs/dbraw/zinc/03/34/65/521033465.db2.gz	LBZMWEODGUDEKK-HZHRSRAPSA-N	-2	0	486.480	4.233	50	10		JICARL
Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c1C	ZINC000012465496	524532053	/nfs/dbraw/zinc/53/20/53/524532053.db2.gz	YWZDYDFKHYTUQC-KGENOOAVSA-N	-2	0	486.549	4.412	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(F)c4)C3=O)o2)cc1Cl	ZINC000002349366	554160497	/nfs/dbraw/zinc/16/04/97/554160497.db2.gz	NFFKVHGPTWBMKQ-MHWRWJLKSA-N	-2	0	470.865	4.269	50	10		JICARL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000009311624	555088154	/nfs/dbraw/zinc/08/81/54/555088154.db2.gz	BFKGTVZVIGKVDR-ODLFYWEKSA-N	-2	0	479.945	4.277	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S	ZINC000009494927	555279388	/nfs/dbraw/zinc/27/93/88/555279388.db2.gz	XHJUYNNTXWXWJI-KXQKXUNCSA-N	-2	0	472.327	4.383	50	10		JICARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000015134047	555879837	/nfs/dbraw/zinc/87/98/37/555879837.db2.gz	BDZVOHIRHOLFRY-MOSHPQCFSA-N	-2	0	467.576	4.279	50	10		JICARL
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br	ZINC000017197031	556238894	/nfs/dbraw/zinc/23/88/94/556238894.db2.gz	GHNYOVLNKHOFER-QPEQYQDCSA-N	-2	0	495.738	4.238	50	10		JICARL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000100502518	569762889	/nfs/dbraw/zinc/76/28/89/569762889.db2.gz	RCJJKWCRCWUMAU-BKUYFWCQSA-N	-2	0	496.980	4.266	50	10		JICARL
O=C([O-])c1cc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1	ZINC000016246783	526342147	/nfs/dbraw/zinc/34/21/47/526342147.db2.gz	ONOUEYDMSQXEBP-MOSHPQCFSA-N	-2	0	487.424	4.379	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1	ZINC000000665122	553741723	/nfs/dbraw/zinc/74/17/23/553741723.db2.gz	RFKVTUQDNZYYHP-GZTJUZNOSA-N	-2	0	497.326	4.239	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000008763590	554663918	/nfs/dbraw/zinc/66/39/18/554663918.db2.gz	KUFORZNNCJMZLU-OBTCNRAFSA-N	-2	0	471.434	4.095	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	ZINC000008763601	554663932	/nfs/dbraw/zinc/66/39/32/554663932.db2.gz	MVRUWJIMYXOZGV-RYPVXOHGSA-N	-2	0	472.327	4.383	50	10		JICARL
CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000009060530	554878564	/nfs/dbraw/zinc/87/85/64/554878564.db2.gz	LATJKRVDFVQKMS-PGMHBOJBSA-N	-2	0	465.535	4.201	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)o2)cc1Cl	ZINC000013785645	555618314	/nfs/dbraw/zinc/61/83/14/555618314.db2.gz	DFSIJRYZZVEXAA-UVTDQMKNSA-N	-2	0	454.797	4.308	50	10		JICARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O	ZINC000013800826	555621402	/nfs/dbraw/zinc/62/14/02/555621402.db2.gz	LHBFCERPQKIWCE-FEEIMYBTSA-N	-2	0	483.347	4.002	50	10		JICARL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O	ZINC000018270920	556317794	/nfs/dbraw/zinc/31/77/94/556317794.db2.gz	HGPVKYZBJGYGRQ-WJDWOHSUSA-N	-2	0	450.834	4.477	50	10		JICARL
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000100361056	569758045	/nfs/dbraw/zinc/75/80/45/569758045.db2.gz	GXAINUJWJLZRPI-CCWVLBSLSA-N	-2	0	455.521	4.240	50	10		JICARL
O=C([O-])c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1	ZINC000002988597	194195940	/nfs/dbraw/zinc/19/59/40/194195940.db2.gz	BELPSCOKRSWJIS-DEDYPNTBSA-N	-2	0	476.872	4.284	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000012514034	526092324	/nfs/dbraw/zinc/09/23/24/526092324.db2.gz	FHCKLYUFCPXINB-YBFXNURJSA-N	-2	0	463.877	4.112	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000002814332	554361842	/nfs/dbraw/zinc/36/18/42/554361842.db2.gz	WPMVJIXDIGBDCC-LPYMAVHISA-N	-2	0	473.554	4.240	50	10		JICARL
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)c1	ZINC000009311338	555087756	/nfs/dbraw/zinc/08/77/56/555087756.db2.gz	IXZPWPLEZVWSAX-BOPFTXTBSA-N	-2	0	466.902	4.438	50	10		JICARL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000013801190	555621939	/nfs/dbraw/zinc/62/19/39/555621939.db2.gz	UHXNRXFZLXNQFI-MOSHPQCFSA-N	-2	0	472.453	4.479	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1	ZINC000013810402	555625476	/nfs/dbraw/zinc/62/54/76/555625476.db2.gz	PLHRJBXKMSMDBB-BOPFTXTBSA-N	-2	0	481.258	4.278	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	ZINC000009884810	195013972	/nfs/dbraw/zinc/01/39/72/195013972.db2.gz	HJIQZYMJLJJHQY-VWBIBIBXSA-N	-2	0	472.327	4.383	50	10		JICARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	ZINC000009884794	195014034	/nfs/dbraw/zinc/01/40/34/195014034.db2.gz	VKBXZUCQQMQLIO-NCPSJORJSA-N	-2	0	451.909	4.119	50	10		JICARL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000033313353	525758740	/nfs/dbraw/zinc/75/87/40/525758740.db2.gz	WOBFJNUSDBULTB-GHXNOFRVSA-N	-2	0	493.697	4.381	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1	ZINC000001205509	526358511	/nfs/dbraw/zinc/35/85/11/526358511.db2.gz	AODNDOZXWAGNBK-BOPFTXTBSA-N	-2	0	452.875	4.130	50	10		JICARL
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000013556725	555494133	/nfs/dbraw/zinc/49/41/33/555494133.db2.gz	VRJUEJWARYDMDB-CPNJWEJPSA-N	-2	0	467.576	4.279	50	10		JICARL
O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)o2)c1	ZINC000013809826	555624543	/nfs/dbraw/zinc/62/45/43/555624543.db2.gz	QIZMCSBSMVZTDR-UVTDQMKNSA-N	-2	0	454.797	4.308	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	ZINC000010232802	555657426	/nfs/dbraw/zinc/65/74/26/555657426.db2.gz	HJIQZYMJLJJHQY-JVXNRYDGSA-N	-2	0	472.327	4.383	50	10		JICARL
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)cc1	ZINC000012342329	555954853	/nfs/dbraw/zinc/95/48/53/555954853.db2.gz	KPERDOZNBICUAQ-MOSHPQCFSA-N	-2	0	460.511	4.347	50	10		JICARL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)c1	ZINC000002962339	194182572	/nfs/dbraw/zinc/18/25/72/194182572.db2.gz	CTDNPVHZCZBPHT-OEAKJJBVSA-N	-2	0	486.480	4.029	50	10		JICARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000016226046	520629451	/nfs/dbraw/zinc/62/94/51/520629451.db2.gz	VFISXAQMGTXRTA-QPEQYQDCSA-N	-2	0	479.272	4.362	50	10		JICARL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)o2)c1	ZINC000002119466	554054715	/nfs/dbraw/zinc/05/47/15/554054715.db2.gz	DVUYRHITJLAVJP-BOPFTXTBSA-N	-2	0	452.875	4.130	50	10		JICARL
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)[N-]C2=S)c1	ZINC000002365228	554167338	/nfs/dbraw/zinc/16/73/38/554167338.db2.gz	GOLRSTQXTYKIHL-HYARGMPZSA-N	-2	0	472.522	4.104	50	10		JICARL
O=S(=O)([N-]c1cc(Sc2nc[nH]n2)c([O-])c2ccccc12)c1ccc(Br)cc1	ZINC000002685357	554282757	/nfs/dbraw/zinc/28/27/57/554282757.db2.gz	JRDUVAUQGLWQSV-UHFFFAOYSA-N	-2	0	477.365	4.378	50	10		JICARL
CC(=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000009060531	554878483	/nfs/dbraw/zinc/87/84/83/554878483.db2.gz	WYNWGCBCYLFMKK-KGENOOAVSA-N	-2	0	482.953	4.039	50	10		JICARL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000015012671	555854361	/nfs/dbraw/zinc/85/43/61/555854361.db2.gz	DGTFBNPAADDCCX-PFSWGADMSA-N	-2	0	474.922	4.262	50	10		JICARL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)o2)c1	ZINC000002973151	194189490	/nfs/dbraw/zinc/18/94/90/194189490.db2.gz	DKWVQXFYBHTIEX-GXDHUFHOSA-N	-2	0	470.865	4.269	50	10		JICARL
O=C([O-])c1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1	ZINC000016386216	526358982	/nfs/dbraw/zinc/35/89/82/526358982.db2.gz	SQESOAPZUXJITH-LDADJPATSA-N	-2	0	480.274	4.445	50	10		JICARL
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)[N-]C1=S	ZINC000002827412	554366607	/nfs/dbraw/zinc/36/66/07/554366607.db2.gz	GGVIPUIQKSWHES-LFIBNONCSA-N	-2	0	466.902	4.438	50	10		JICARL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000009258959	555034206	/nfs/dbraw/zinc/03/42/06/555034206.db2.gz	XODXATQRPVJXDQ-JAIQZWGSSA-N	-2	0	477.517	4.071	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	ZINC000010232845	555657716	/nfs/dbraw/zinc/65/77/16/555657716.db2.gz	PFAFRTNVAFOOKN-OBTCNRAFSA-N	-2	0	471.434	4.095	50	10		JICARL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000015012999	555854769	/nfs/dbraw/zinc/85/47/69/555854769.db2.gz	AHDPRHTVVRYTSC-JQFNYASXSA-N	-2	0	468.531	4.226	50	10		JICARL
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000103883846	569838713	/nfs/dbraw/zinc/83/87/13/569838713.db2.gz	UAXMPAGMKZQCJC-HMAPJEAMSA-N	-2	0	490.589	4.230	50	10		JICARL
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000012628808	195061248	/nfs/dbraw/zinc/06/12/48/195061248.db2.gz	FANNBRWALAGFOX-ODLFYWEKSA-N	-2	0	469.925	4.240	50	10		JICARL
O=C(CCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)Nc1sc2c(c1C(=O)[O-])CCCC2	ZINC000002158351	554073390	/nfs/dbraw/zinc/07/33/90/554073390.db2.gz	RABYUUSRLOJKDL-UHFFFAOYSA-N	-2	0	476.576	4.321	50	10		JICARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)cc1	ZINC000002783190	554342773	/nfs/dbraw/zinc/34/27/73/554342773.db2.gz	IRNCXWCSDGNGGD-HZHRSRAPSA-N	-2	0	470.481	4.193	50	10		JICARL
Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)c(Br)c1	ZINC000008818982	554703359	/nfs/dbraw/zinc/70/33/59/554703359.db2.gz	LOERHRYBPBVMIB-FEZXJWFHSA-N	-2	0	496.360	4.147	50	10		JICARL
O=C([O-])c1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000009264726	555039808	/nfs/dbraw/zinc/03/98/08/555039808.db2.gz	SHXMRBWVTZTQFL-BKUYFWCQSA-N	-2	0	499.523	4.358	50	10		JICARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000009265356	555041024	/nfs/dbraw/zinc/04/10/24/555041024.db2.gz	NGYFZCXCUSHLJD-NDENLUEZSA-N	-2	0	457.486	4.076	50	10		JICARL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)c1	ZINC000022185112	555882598	/nfs/dbraw/zinc/88/25/98/555882598.db2.gz	IXZPWPLEZVWSAX-GZTJUZNOSA-N	-2	0	466.902	4.438	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	ZINC000028296002	556330189	/nfs/dbraw/zinc/33/01/89/556330189.db2.gz	CIKDNNREXYGLEQ-XXLSNGBASA-N	-2	0	472.327	4.383	50	10		JICARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)c1	ZINC000083326720	569708720	/nfs/dbraw/zinc/70/87/20/569708720.db2.gz	SZMQTCIZBHXMFU-RZNTYIFUSA-N	-2	0	451.428	4.090	50	10		JICARL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000003876885	194365774	/nfs/dbraw/zinc/36/57/74/194365774.db2.gz	RCJJKWCRCWUMAU-FYJGNVAPSA-N	-2	0	496.980	4.266	50	10		JICARL
Cc1c(Cl)cccc1N1C(=O)C(=Cc2cn(CC(=O)[O-])c3ccccc23)C(=O)[N-]C1=S	ZINC000033334287	525759537	/nfs/dbraw/zinc/75/95/37/525759537.db2.gz	OBMXAQGZCSXHJL-DHDCSXOGSA-N	-2	0	453.907	4.359	50	10		JICARL
O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000016246998	526369090	/nfs/dbraw/zinc/36/90/90/526369090.db2.gz	JPHSLCXHQAJFPD-NDENLUEZSA-N	-2	0	487.424	4.379	50	10		JICARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)c1C	ZINC000002777129	554340130	/nfs/dbraw/zinc/34/01/30/554340130.db2.gz	SWQDMYVMZGOUHN-HYARGMPZSA-N	-2	0	470.481	4.247	50	10		JICARL
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1	ZINC000008383413	554566432	/nfs/dbraw/zinc/56/64/32/554566432.db2.gz	MQPXUZPVJDSDEO-BOPFTXTBSA-N	-2	0	466.902	4.438	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	ZINC000008818980	554703301	/nfs/dbraw/zinc/70/33/01/554703301.db2.gz	PUPLVFHYAXRIKK-VWBIBIBXSA-N	-2	0	472.327	4.383	50	10		JICARL
C[C@H](Sc1cc([N-]S(=O)(=O)c2cccc3cccnc32)c2ccccc2c1O)C(=O)[O-]	ZINC000008870862	554765560	/nfs/dbraw/zinc/76/55/60/554765560.db2.gz	MPQXNCLNKVMRMP-ZDUSSCGKSA-N	-2	0	454.529	4.460	50	10		JICARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000014010712	555670019	/nfs/dbraw/zinc/67/00/19/555670019.db2.gz	KTJQGFGPGFRUQR-JMIUGGIZSA-N	-3	0	491.431	4.136	50	10		JICARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1	ZINC000013130666	556356191	/nfs/dbraw/zinc/35/61/91/556356191.db2.gz	SJUSNSIEIKNHNB-BOPFTXTBSA-N	-2	0	450.834	4.273	50	10		JICARL
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Cl)c([O-])c(Cl)c1	ZINC000009933364	195025254	/nfs/dbraw/zinc/02/52/54/195025254.db2.gz	MVQFJQDGKRYSEU-WZUFQYTHSA-N	-2	0	472.147	4.293	50	10		JICARL
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000008430298	554583402	/nfs/dbraw/zinc/58/34/02/554583402.db2.gz	ZJCBBPFMUONIAU-PTNGSMBKSA-N	-2	0	482.901	4.138	50	10		JICARL
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C(=O)[O-]	ZINC000010038286	555604330	/nfs/dbraw/zinc/60/43/30/555604330.db2.gz	NALHBSGVCZTNMN-PXLXIMEGSA-N	-2	0	486.480	4.029	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	ZINC000028296000	556330333	/nfs/dbraw/zinc/33/03/33/556330333.db2.gz	CIKDNNREXYGLEQ-HOVAHTAHSA-N	-2	0	472.327	4.383	50	10		JICARL
CCc1nnc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)c(C)c4)c3=O)cc2)s1	ZINC000100503282	569762953	/nfs/dbraw/zinc/76/29/53/569762953.db2.gz	WGIQIFRORHYKTB-MOSHPQCFSA-N	-2	0	496.618	4.237	50	10		JICARL
Cc1cc(C)c(NN=C2c3ccc(S(=O)(=O)[O-])cc3C=C(S(=O)(=O)[O-])C2=O)cc1C	ZINC000004416666	194389632	/nfs/dbraw/zinc/38/96/32/194389632.db2.gz	OQQYJPVCDFFEIV-QZQOTICOSA-N	-2	0	450.494	4.379	50	10	endogenous,in-man	JICARL
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)o2)c1	ZINC000009891801	195015470	/nfs/dbraw/zinc/01/54/70/195015470.db2.gz	RRHCWOKMIIRTSK-GZTJUZNOSA-N	-2	0	481.258	4.074	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	ZINC000009884837	195013968	/nfs/dbraw/zinc/01/39/68/195013968.db2.gz	PFAFRTNVAFOOKN-FUEWVNAISA-N	-2	0	471.434	4.095	50	10		JICARL
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)[N-]C1=S	ZINC000002116897	525759165	/nfs/dbraw/zinc/75/91/65/525759165.db2.gz	RHQBVVXHGVADJA-LFIBNONCSA-N	-2	0	466.902	4.438	50	10		JICARL
O=C([O-])c1cc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4)C3=O)o2)ccc1Cl	ZINC000002248229	554113013	/nfs/dbraw/zinc/11/30/13/554113013.db2.gz	GVYUQUMLKUTSBQ-LFIBNONCSA-N	-2	0	452.875	4.130	50	10		JICARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)cc1C	ZINC000002302444	554140058	/nfs/dbraw/zinc/14/00/58/554140058.db2.gz	MVUNKNIHXPAKLJ-OEAKJJBVSA-N	-2	0	470.481	4.247	50	10		JICARL
Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[O-])c3nc(C)cc4c3c2C(=O)c2ccccc2-4)cc1	ZINC000002471312	554224815	/nfs/dbraw/zinc/22/48/15/554224815.db2.gz	YSEQJQBQYTXNGX-UHFFFAOYSA-N	-2	0	494.550	4.111	50	10		JICARL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000013799344	555620463	/nfs/dbraw/zinc/62/04/63/555620463.db2.gz	TVWYZGDRILTBFI-BKUYFWCQSA-N	-2	0	486.480	4.152	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	ZINC000009884811	195014013	/nfs/dbraw/zinc/01/40/13/195014013.db2.gz	HJIQZYMJLJJHQY-CHJAJTDHSA-N	-2	0	472.327	4.383	50	10		JICARL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)o1	ZINC000012468690	525666526	/nfs/dbraw/zinc/66/65/26/525666526.db2.gz	DWKZRTPCYIDRMM-LFIBNONCSA-N	-2	0	466.902	4.438	50	10		JICARL
O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)o1	ZINC000013810557	526395203	/nfs/dbraw/zinc/39/52/03/526395203.db2.gz	FPJXRMDDZDEFOV-GZTJUZNOSA-N	-2	0	481.258	4.278	50	10		JICARL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4)C3=O)o2)c1	ZINC000002260140	554121434	/nfs/dbraw/zinc/12/14/34/554121434.db2.gz	JIENTYPPRFCUSK-LFIBNONCSA-N	-2	0	452.875	4.130	50	10		JICARL
O=C([O-])c1cccc(COc2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2)c1	ZINC000009066315	554885785	/nfs/dbraw/zinc/88/57/85/554885785.db2.gz	HJEZKAMTVRSKSQ-KGENOOAVSA-N	-2	0	458.495	4.206	50	10		JICARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)[O-])c4C)c3C)C2=O)cc1	ZINC000009730832	555466723	/nfs/dbraw/zinc/46/67/23/555466723.db2.gz	LIQHPWPJJFQZAM-HMAPJEAMSA-N	-2	0	471.513	4.330	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000009805476	555517485	/nfs/dbraw/zinc/51/74/85/555517485.db2.gz	SQFROJSRZDDJCM-KEBDBYFISA-N	-2	0	477.517	4.071	50	10		JICARL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Cl)c([O-])c(Cl)c1	ZINC000013898327	555644902	/nfs/dbraw/zinc/64/49/02/555644902.db2.gz	OFMIVWNZGWAYEX-WZUFQYTHSA-N	-2	0	456.079	4.128	50	10		JICARL
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)cc(Cl)c1[O-]	ZINC000015745869	555984043	/nfs/dbraw/zinc/98/40/43/555984043.db2.gz	APJSTXGPISYTTQ-SDQBBNPISA-N	-2	0	456.079	4.128	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000002975359	194190769	/nfs/dbraw/zinc/19/07/69/194190769.db2.gz	XKRQIIFYWDERTH-DJKKODMXSA-N	-2	0	481.867	4.251	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S	ZINC000009884825	195013961	/nfs/dbraw/zinc/01/39/61/195013961.db2.gz	XHJUYNNTXWXWJI-VWBIBIBXSA-N	-2	0	472.327	4.383	50	10		JICARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1	ZINC000002251444	554115522	/nfs/dbraw/zinc/11/55/22/554115522.db2.gz	LXQWVLUMFGZEFR-LDADJPATSA-N	-2	0	480.860	4.363	50	10		JICARL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1	ZINC000002789039	554345822	/nfs/dbraw/zinc/34/58/22/554345822.db2.gz	BOWUNTUMNPGHIU-LDADJPATSA-N	-2	0	480.860	4.363	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000008763591	554663922	/nfs/dbraw/zinc/66/39/22/554663922.db2.gz	KUFORZNNCJMZLU-AISSWFOISA-N	-2	0	471.434	4.095	50	10		JICARL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c1	ZINC000009233867	555007079	/nfs/dbraw/zinc/00/70/79/555007079.db2.gz	ULRCIPIKQIAZOG-DJKKODMXSA-N	-2	0	495.490	4.478	50	10		JICARL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)ccc1Br	ZINC000009310057	555085560	/nfs/dbraw/zinc/08/55/60/555085560.db2.gz	QPPAJVAQIURVFX-WZUFQYTHSA-N	-2	0	470.106	4.436	50	10		JICARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000009493456	555275471	/nfs/dbraw/zinc/27/54/71/555275471.db2.gz	NGYFZCXCUSHLJD-UDWIEESQSA-N	-2	0	457.486	4.076	50	10		JICARL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000012363115	555958673	/nfs/dbraw/zinc/95/86/73/555958673.db2.gz	FOPOSXIYFISPTP-YVLHZVERSA-N	-2	0	497.935	4.416	50	10		JICARL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000015723858	555958993	/nfs/dbraw/zinc/95/89/93/555958993.db2.gz	IXFPPFLKWVPYBB-AWNIVKPZSA-N	-2	0	460.240	4.186	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	ZINC000027642517	556301284	/nfs/dbraw/zinc/30/12/84/556301284.db2.gz	PUPLVFHYAXRIKK-JVXNRYDGSA-N	-2	0	472.327	4.383	50	10		JICARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000100499748	569762586	/nfs/dbraw/zinc/76/25/86/569762586.db2.gz	KXDSHINPCLDVPN-UCQKPKSFSA-N	-2	0	490.589	4.230	50	10		JICARL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)o1	ZINC000000665127	553741764	/nfs/dbraw/zinc/74/17/64/553741764.db2.gz	JQEMJHZOBLEFFA-GZTJUZNOSA-N	-2	0	497.326	4.239	50	10		JICARL
C[C@H](C(=O)[O-])n1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21	ZINC000009264605	555039746	/nfs/dbraw/zinc/03/97/46/555039746.db2.gz	SPYSCTQBKXIWMU-RLIURORJSA-N	-2	0	488.352	4.425	50	10		JICARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000009493459	555275507	/nfs/dbraw/zinc/27/55/07/555275507.db2.gz	XYUWSZLPYKSYRW-DEDYPNTBSA-N	-2	0	457.486	4.076	50	10		JICARL
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2Br)c1	ZINC000010060007	555611733	/nfs/dbraw/zinc/61/17/33/555611733.db2.gz	DQROPKHFVBLPSS-XDHOZWIPSA-N	-2	0	493.313	4.188	50	10		JICARL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1	ZINC000001132567	194040135	/nfs/dbraw/zinc/04/01/35/194040135.db2.gz	AULHXJHNYAELDO-RVDMUPIBSA-N	-2	0	470.268	4.149	50	10		JICARL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O	ZINC000009907495	195018115	/nfs/dbraw/zinc/01/81/15/195018115.db2.gz	JYVSQHVAIYPPOR-LFIBNONCSA-N	-2	0	450.834	4.273	50	10		JICARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000016115433	520630020	/nfs/dbraw/zinc/63/00/20/520630020.db2.gz	WZFPHEBFNGGVRX-KPENOIPVSA-N	-2	0	458.854	4.097	50	10		JICARL
Cc1cccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4C(=O)[O-])o3)C2=O)c1	ZINC000016266492	524569761	/nfs/dbraw/zinc/56/97/61/524569761.db2.gz	IUVKRFZCARUSNH-WQRHYEAKSA-N	-2	0	467.275	4.177	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)o2)cc1	ZINC000033321828	526358302	/nfs/dbraw/zinc/35/83/02/526358302.db2.gz	NOFNCPBHNIIOQB-BOPFTXTBSA-N	-2	0	481.258	4.278	50	10		JICARL
O=C([O-])COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000016225921	527617577	/nfs/dbraw/zinc/61/75/77/527617577.db2.gz	ZPLICDXSNRRYRP-XYOKQWHBSA-N	-2	0	479.670	4.073	50	10		JICARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000013575833	555514682	/nfs/dbraw/zinc/51/46/82/555514682.db2.gz	KXDSHINPCLDVPN-OEAKJJBVSA-N	-2	0	490.589	4.230	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)o2)cc1Cl	ZINC000017056340	556214418	/nfs/dbraw/zinc/21/44/18/556214418.db2.gz	KKQKQYFBKJTKCB-YBEGLDIGSA-N	-2	0	454.797	4.308	50	10		JICARL
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000100506123	569763111	/nfs/dbraw/zinc/76/31/11/569763111.db2.gz	OBCZGQFSICTOQR-AWZKZOKMSA-N	-2	0	450.436	4.292	50	10		JICARL
O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1	ZINC000016246786	526368392	/nfs/dbraw/zinc/36/83/92/526368392.db2.gz	QSKAFKUWAXSFRR-MOSHPQCFSA-N	-2	0	458.426	4.176	50	10		JICARL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)o1	ZINC000001203833	526395460	/nfs/dbraw/zinc/39/54/60/526395460.db2.gz	OSMZAPSTSBMZLK-GZTJUZNOSA-N	-2	0	497.326	4.239	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)o2)cc1	ZINC000002285283	554132916	/nfs/dbraw/zinc/13/29/16/554132916.db2.gz	NOFNCPBHNIIOQB-GZTJUZNOSA-N	-2	0	481.258	4.074	50	10		JICARL
Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)o2)cc1C(=O)[O-]	ZINC000002984034	554418872	/nfs/dbraw/zinc/41/88/72/554418872.db2.gz	ZOWKQBOGHLMMNO-WOJGMQOQSA-N	-2	0	495.285	4.382	50	10		JICARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000009265366	555041416	/nfs/dbraw/zinc/04/14/16/555041416.db2.gz	QFNSXCMUFLNYAU-MOSHPQCFSA-N	-2	0	457.486	4.076	50	10		JICARL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000009323218	555096192	/nfs/dbraw/zinc/09/61/92/555096192.db2.gz	SZTRJQNGFAMBIK-XDHOZWIPSA-N	-2	0	460.511	4.401	50	10		JICARL
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C(=O)[N-]C2=S)c1	ZINC000009323225	555096238	/nfs/dbraw/zinc/09/62/38/555096238.db2.gz	GQOKEXORZJKNCC-XDHOZWIPSA-N	-2	0	460.511	4.401	50	10		JICARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000009493455	555275467	/nfs/dbraw/zinc/27/54/67/555275467.db2.gz	QFNSXCMUFLNYAU-DEDYPNTBSA-N	-2	0	457.486	4.076	50	10		JICARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	ZINC000010232800	555657447	/nfs/dbraw/zinc/65/74/47/555657447.db2.gz	VKBXZUCQQMQLIO-GRRFOWRYSA-N	-2	0	451.909	4.119	50	10		JICARL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000015012997	555854695	/nfs/dbraw/zinc/85/46/95/555854695.db2.gz	AHDPRHTVVRYTSC-GZQZNAIASA-N	-2	0	468.531	4.226	50	10		JICARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000015822188	556010460	/nfs/dbraw/zinc/01/04/60/556010460.db2.gz	KJRLODIKLNROKQ-CIAFOILYSA-N	-3	0	487.468	4.306	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000002053837	554012339	/nfs/dbraw/zinc/01/23/39/554012339.db2.gz	QFSJAMUAFAQLGX-FYJGNVAPSA-N	-2	0	473.554	4.240	50	10		JICARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c1	ZINC000002930606	554411377	/nfs/dbraw/zinc/41/13/77/554411377.db2.gz	HFQYIZDCGOBWJF-GZTJUZNOSA-N	-2	0	450.834	4.273	50	10		JICARL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000008771897	554671861	/nfs/dbraw/zinc/67/18/61/554671861.db2.gz	UHXNRXFZLXNQFI-DEDYPNTBSA-N	-2	0	472.453	4.479	50	10		JICARL
Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccccc1	ZINC000008846625	554745574	/nfs/dbraw/zinc/74/55/74/554745574.db2.gz	SKNZQILZKWMQSY-UHFFFAOYSA-N	-2	0	490.559	4.366	50	10		JICARL
O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)o1	ZINC000017058858	556214786	/nfs/dbraw/zinc/21/47/86/556214786.db2.gz	QDHLCDKOLUXOGD-BOPFTXTBSA-N	-2	0	481.258	4.278	50	10		JICARL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000016225725	525759646	/nfs/dbraw/zinc/75/96/46/525759646.db2.gz	WOBFJNUSDBULTB-KPKJPENVSA-N	-2	0	493.697	4.381	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000002726905	554312957	/nfs/dbraw/zinc/31/29/57/554312957.db2.gz	MYAUAPKQJAIKIO-LICLKQGHSA-N	-2	0	481.867	4.251	50	10		JICARL
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000002727044	554312998	/nfs/dbraw/zinc/31/29/98/554312998.db2.gz	FHCKLYUFCPXINB-ODLFYWEKSA-N	-2	0	463.877	4.112	50	10		JICARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c1	ZINC000006886424	554560427	/nfs/dbraw/zinc/56/04/27/554560427.db2.gz	HFQYIZDCGOBWJF-BOPFTXTBSA-N	-2	0	450.834	4.273	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1	ZINC000019877701	555524411	/nfs/dbraw/zinc/52/44/11/555524411.db2.gz	AODNDOZXWAGNBK-GZTJUZNOSA-N	-2	0	452.875	4.130	50	10		JICARL
CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccc(OC)cc3)CC2)cc1	ZINC000032961940	569602576	/nfs/dbraw/zinc/60/25/76/569602576.db2.gz	VOYDGSXMTNOBOR-UHFFFAOYSA-N	-2	0	495.601	4.083	50	10		JICARL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)o2)cc1Cl	ZINC000002967158	194184834	/nfs/dbraw/zinc/18/48/34/194184834.db2.gz	NPDUKDYZZDIREN-GXDHUFHOSA-N	-2	0	470.865	4.269	50	10		JICARL
O=C1c2c(O)cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1cccc2ccccc21	ZINC000003954003	194367215	/nfs/dbraw/zinc/36/72/15/194367215.db2.gz	NMBIMCYCRFBUAF-QURGRASLSA-N	-2	0	474.472	4.313	50	10	in-vitro	JICARL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c1	ZINC000009235073	194621419	/nfs/dbraw/zinc/62/14/19/194621419.db2.gz	HLVBOJJAFACYBP-VXLYETTFSA-N	-2	0	494.437	4.488	50	10		JICARL
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000009933361	195025276	/nfs/dbraw/zinc/02/52/76/195025276.db2.gz	NTDAYASFYOMURL-XGICHPGQSA-N	-2	0	472.147	4.293	50	10		JICARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000017057578	524918433	/nfs/dbraw/zinc/91/84/33/524918433.db2.gz	YBEAEJVYDYSFMW-BOPFTXTBSA-N	-2	0	450.834	4.477	50	10		JICARL
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000008749104	554651697	/nfs/dbraw/zinc/65/16/97/554651697.db2.gz	LMMKXGUUUSMBCX-BOPFTXTBSA-N	-2	0	466.902	4.438	50	10		JICARL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)o2)c1	ZINC000015223749	555886061	/nfs/dbraw/zinc/88/60/61/555886061.db2.gz	QIZMCSBSMVZTDR-GXDHUFHOSA-N	-2	0	454.797	4.104	50	10		JICARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000016977244	556194446	/nfs/dbraw/zinc/19/44/46/556194446.db2.gz	RHTMFYITMWCHDU-AUWJEWJLSA-N	-2	0	479.272	4.362	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	ZINC000027642524	556301280	/nfs/dbraw/zinc/30/12/80/556301280.db2.gz	PUPLVFHYAXRIKK-KXQKXUNCSA-N	-2	0	472.327	4.383	50	10		JICARL
CCc1nnc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)c(C)c4)c3=O)cc2)s1	ZINC000104001403	569839748	/nfs/dbraw/zinc/83/97/48/569839748.db2.gz	WGIQIFRORHYKTB-DEDYPNTBSA-N	-2	0	496.618	4.237	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	ZINC000009884808	195014035	/nfs/dbraw/zinc/01/40/35/195014035.db2.gz	PILCSXZJUSJLMT-CHJAJTDHSA-N	-2	0	472.327	4.383	50	10		JICARL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C1=O	ZINC000009934788	195027568	/nfs/dbraw/zinc/02/75/68/195027568.db2.gz	NKHBTVCRSUHUPP-XSFVSMFZSA-N	-2	0	487.512	4.166	50	10		JICARL
O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000016246759	526369482	/nfs/dbraw/zinc/36/94/82/526369482.db2.gz	PBEVHCONJYEPGQ-MOSHPQCFSA-N	-2	0	487.424	4.379	50	10		JICARL
O=C1N=C([O-])/C(=C/c2cn(-c3ccccc3)nc2-c2cc3c(ccc4ccccc43)oc2=O)C(=O)[N-]1	ZINC000001178200	553927345	/nfs/dbraw/zinc/92/73/45/553927345.db2.gz	ZRZQOBHMUJPHOI-UHFFFAOYSA-N	-2	0	476.448	4.389	50	10		JICARL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000008857457	554754068	/nfs/dbraw/zinc/75/40/68/554754068.db2.gz	UWWOPKZUXITYPG-UHFFFAOYSA-N	-2	0	490.559	4.366	50	10		JICARL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(SCCC(=O)[O-])c(O)c2ccccc12	ZINC000008870820	554765686	/nfs/dbraw/zinc/76/56/86/554765686.db2.gz	YOCWDNKQJFAVFK-UHFFFAOYSA-N	-2	0	462.505	4.130	50	10		JICARL
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000009233978	555007241	/nfs/dbraw/zinc/00/72/41/555007241.db2.gz	HAUDUWDZFXGUFR-YBFXNURJSA-N	-2	0	478.888	4.087	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S	ZINC000009494924	555279327	/nfs/dbraw/zinc/27/93/27/555279327.db2.gz	XHJUYNNTXWXWJI-JVXNRYDGSA-N	-2	0	472.327	4.383	50	10		JICARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000014010770	555670310	/nfs/dbraw/zinc/67/03/10/555670310.db2.gz	CCJUUFMJKWFXJP-VXLYETTFSA-N	-2	0	473.441	4.028	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000012363713	555958912	/nfs/dbraw/zinc/95/89/12/555958912.db2.gz	TUUXRHRWFDRGOG-LDADJPATSA-N	-2	0	479.945	4.277	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000012363710	555958983	/nfs/dbraw/zinc/95/89/83/555958983.db2.gz	NYHYHCXVJZBHHX-LDADJPATSA-N	-2	0	479.945	4.277	50	10		JICARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	ZINC000009884807	195013902	/nfs/dbraw/zinc/01/39/02/195013902.db2.gz	PILCSXZJUSJLMT-VWBIBIBXSA-N	-2	0	472.327	4.383	50	10		JICARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C2=O)cc1C	ZINC000002810521	554360166	/nfs/dbraw/zinc/36/01/66/554360166.db2.gz	HFEMBOIBQSTMLH-HYARGMPZSA-N	-2	0	470.481	4.247	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	ZINC000008818981	554703286	/nfs/dbraw/zinc/70/32/86/554703286.db2.gz	PUPLVFHYAXRIKK-CHJAJTDHSA-N	-2	0	472.327	4.383	50	10		JICARL
C[C@@H](C(=O)[O-])n1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21	ZINC000009264602	555039634	/nfs/dbraw/zinc/03/96/34/555039634.db2.gz	SPYSCTQBKXIWMU-HOXUKUGESA-N	-2	0	488.352	4.425	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000022215824	555885197	/nfs/dbraw/zinc/88/51/97/555885197.db2.gz	WJXDVSAQHFNZNH-YBFXNURJSA-N	-2	0	479.945	4.277	50	10		JICARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000100535547	569764078	/nfs/dbraw/zinc/76/40/78/569764078.db2.gz	BDZVOHIRHOLFRY-DEDYPNTBSA-N	-2	0	467.576	4.279	50	10		JICARL
CCN(CC)c1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000254624185	570106034	/nfs/dbraw/zinc/10/60/34/570106034.db2.gz	OTSPYZDKVBQITH-UHFFFAOYSA-N	-3	0	495.535	4.006	50	10		JICARL
O=C([O-])c1cccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000001279033	194081254	/nfs/dbraw/zinc/08/12/54/194081254.db2.gz	CSSAYQKDDVFGIT-LDADJPATSA-N	-2	0	451.891	4.072	50	10		JICARL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1	ZINC000002990916	194196489	/nfs/dbraw/zinc/19/64/89/194196489.db2.gz	WXAAQMQCTYZKOD-CPNJWEJPSA-N	-2	0	476.872	4.284	50	10		JICARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000002994476	194197714	/nfs/dbraw/zinc/19/77/14/194197714.db2.gz	GYNWWNQVDJSHBY-PXLXIMEGSA-N	-2	0	470.481	4.193	50	10		JICARL
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Br)c1	ZINC000009891803	195015488	/nfs/dbraw/zinc/01/54/88/195015488.db2.gz	AUKUKZUXYJIACZ-VZUCSPMQSA-N	-2	0	456.079	4.128	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S	ZINC000009884827	195013911	/nfs/dbraw/zinc/01/39/11/195013911.db2.gz	XHJUYNNTXWXWJI-CHJAJTDHSA-N	-2	0	472.327	4.383	50	10		JICARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	ZINC000009884839	195013993	/nfs/dbraw/zinc/01/39/93/195013993.db2.gz	PFAFRTNVAFOOKN-CWZJEYLYSA-N	-2	0	471.434	4.095	50	10		JICARL
O=C([O-])COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl	ZINC000033321519	527615238	/nfs/dbraw/zinc/61/52/38/527615238.db2.gz	HDYNQLDBCTVPHC-SDQBBNPISA-N	-2	0	451.287	4.128	50	10		JICARL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000015229360	555888728	/nfs/dbraw/zinc/88/87/28/555888728.db2.gz	HAUDUWDZFXGUFR-ODLFYWEKSA-N	-2	0	478.888	4.087	50	10		JICARL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)o1	ZINC000002972571	194189522	/nfs/dbraw/zinc/18/95/22/194189522.db2.gz	OMXNLZMTGCPABS-WOJGMQOQSA-N	-2	0	495.285	4.382	50	10		JICARL
CCN(CC)c1ccc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)c(O)c1	ZINC000043505205	520884742	/nfs/dbraw/zinc/88/47/42/520884742.db2.gz	LDQGUZFHJKOWGX-QURGRASLSA-N	-2	0	495.535	4.006	50	10		JICARL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000002158869	554073799	/nfs/dbraw/zinc/07/37/99/554073799.db2.gz	MUEXSBZJBRTIHR-LICLKQGHSA-N	-2	0	497.935	4.416	50	10		JICARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	ZINC000008871695	554767592	/nfs/dbraw/zinc/76/75/92/554767592.db2.gz	WMFXEKLTQGSVET-GULXKOIASA-N	-2	0	496.360	4.228	50	10		JICARL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000013801143	555621326	/nfs/dbraw/zinc/62/13/26/555621326.db2.gz	MVPSIEZLMATENJ-GZTJUZNOSA-N	-2	0	468.531	4.128	50	10		JICARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1	ZINC000022135430	555880865	/nfs/dbraw/zinc/88/08/65/555880865.db2.gz	LXQWVLUMFGZEFR-PDGQHHTCSA-N	-2	0	480.860	4.363	50	10		JICARL
CSc1nnc(-c2cc(Br)ccc2N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c(=O)[n-]1	ZINC000100381460	569758357	/nfs/dbraw/zinc/75/83/57/569758357.db2.gz	RJBJDIJUTRXQBQ-LFIBNONCSA-N	-2	0	497.378	4.447	50	10		JICARL
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000100506119	569763073	/nfs/dbraw/zinc/76/30/73/569763073.db2.gz	OBCZGQFSICTOQR-DUPNKOKHSA-N	-2	0	450.436	4.292	50	10		JICARL
O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1cccc2cccnc21	ZINC000038159803	569799597	/nfs/dbraw/zinc/79/95/97/569799597.db2.gz	DUACZUDBURWDGK-QURGRASLSA-N	-2	0	459.461	4.002	50	10		JICARL