smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000008997625	132300426	/nfs/dbraw/zinc/30/04/26/132300426.db2.gz	AMOUMSPROQNJSP-UDWIEESQSA-N	-2	0	447.422	4.438	50	10		IICARL
CC(C)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000012414303	519833773	/nfs/dbraw/zinc/83/37/73/519833773.db2.gz	VPIXSUOGJBWOPH-GESOSKEOSA-N	-2	0	445.518	4.199	50	10		IICARL
Cc1ccc(NN=C2c3ccc(S(=O)(=O)[O-])cc3C=C(S(=O)(=O)[O-])C2=O)c(C)c1	ZINC000012405051	556404313	/nfs/dbraw/zinc/40/43/13/556404313.db2.gz	YYYARFHFWYKNLF-VXPUYCOJSA-N	-2	0	436.467	4.071	50	10	in-vitro	IICARL
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1C(=O)[O-]	ZINC000016225902	557471205	/nfs/dbraw/zinc/47/12/05/557471205.db2.gz	IPDGYHMKMOICBK-GHXNOFRVSA-N	-2	0	435.219	4.207	50	10		IICARL
O=C([O-])CSc1cc([N-]S(=O)(=O)c2cccc3cccnc32)c2ccccc2c1O	ZINC000002685508	556575127	/nfs/dbraw/zinc/57/51/27/556575127.db2.gz	VLNZGUJFOJIUFV-UHFFFAOYSA-N	-2	0	440.502	4.071	50	10		IICARL
CCc1ccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000020332891	557008463	/nfs/dbraw/zinc/00/84/63/557008463.db2.gz	FCYLJPRAVNHJGG-ZHZULCJRSA-N	-2	0	445.500	4.410	50	10		IICARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015837396	557467967	/nfs/dbraw/zinc/46/79/67/557467967.db2.gz	ITHKKRRVOGERDQ-AWNIVKPZSA-N	-2	0	445.815	4.168	50	10		IICARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1C	ZINC000002736176	132256759	/nfs/dbraw/zinc/25/67/59/132256759.db2.gz	IKONIBMODBLOQM-UDWIEESQSA-N	-2	0	444.443	4.236	50	10		IICARL
C[C@@H](Oc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1)C(=O)[O-]	ZINC000008861650	132296593	/nfs/dbraw/zinc/29/65/93/132296593.db2.gz	QBNRXLOFIVAIOK-DOQDJBIESA-N	-2	0	449.246	4.352	50	10		IICARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000033927808	556733238	/nfs/dbraw/zinc/73/32/38/556733238.db2.gz	AMOUMSPROQNJSP-NDENLUEZSA-N	-2	0	447.422	4.438	50	10		IICARL
O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl	ZINC000012428720	526341089	/nfs/dbraw/zinc/34/10/89/526341089.db2.gz	MZWXOLZNCYVWAH-YBEGLDIGSA-N	-2	0	443.242	4.413	50	10		IICARL
Cc1cc(C)c(S(=O)(=O)[O-])cc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000100048111	557238777	/nfs/dbraw/zinc/23/87/77/557238777.db2.gz	DZCOAQKTFAIFRV-FMQUCBEESA-N	-2	0	436.467	4.071	50	10	endogenous,in-man	IICARL
O=C([O-])c1ccc([C@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1	ZINC000096114597	569382873	/nfs/dbraw/zinc/38/28/73/569382873.db2.gz	LPCLDRMAASOYKL-OAHLLOKOSA-N	-2	0	444.395	4.010	50	10	biogenic	IICARL
C[C@H](Oc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1)C(=O)[O-]	ZINC000033149416	556878461	/nfs/dbraw/zinc/87/84/61/556878461.db2.gz	QBNRXLOFIVAIOK-CEITULEQSA-N	-2	0	449.246	4.352	50	10		IICARL
CC(C)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000012414302	519833700	/nfs/dbraw/zinc/83/37/00/519833700.db2.gz	VPIXSUOGJBWOPH-MBBOSUJBSA-N	-2	0	445.518	4.199	50	10		IICARL
O=C([O-])c1ccc(-c2ccc(C=C3SC(Nc4cccc(C(=O)[O-])c4)=NC3=O)o2)cc1	ZINC000022298921	526358170	/nfs/dbraw/zinc/35/81/70/526358170.db2.gz	XVWCAOUMDSZQPB-WOJGMQOQSA-N	-2	0	434.429	4.425	50	10		IICARL
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000095452395	569367922	/nfs/dbraw/zinc/36/79/22/569367922.db2.gz	YBMDLYVOPMOERO-UHFFFAOYSA-N	-2	0	427.103	4.271	50	10		IICARL
CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000012414298	523855295	/nfs/dbraw/zinc/85/52/95/523855295.db2.gz	QLZUQKHPLKDSDM-ZCQLHAAUSA-N	-2	0	445.518	4.028	50	10		IICARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000020064287	556978169	/nfs/dbraw/zinc/97/81/69/556978169.db2.gz	RCKISWKGKWTZRE-FYJGNVAPSA-N	-2	0	443.459	4.295	50	10		IICARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015822754	557467643	/nfs/dbraw/zinc/46/76/43/557467643.db2.gz	GOVMUTLUPYGYMP-KPKJPENVSA-N	-2	0	445.815	4.168	50	10		IICARL
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)[N-]C2=S)c1	ZINC000009323229	132313720	/nfs/dbraw/zinc/31/37/20/132313720.db2.gz	JKFWNYPDDJLBLQ-LDADJPATSA-N	-2	0	446.484	4.093	50	10		IICARL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)[O-])C1=O	ZINC000016226020	557147743	/nfs/dbraw/zinc/14/77/43/557147743.db2.gz	KFFXZMQFCWSHLT-VGOFMYFVSA-N	-2	0	449.246	4.272	50	10		IICARL
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000001197270	132239275	/nfs/dbraw/zinc/23/92/75/132239275.db2.gz	DVPOZLGNMSDJRM-WUXMJOGZSA-N	-2	0	427.696	4.184	50	10		IICARL
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000020036779	556970528	/nfs/dbraw/zinc/97/05/28/556970528.db2.gz	JEKWLXZPWDUEGU-DHDCSXOGSA-N	-2	0	444.285	4.188	50	10		IICARL
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)[N-]C1=S	ZINC000009323244	132313729	/nfs/dbraw/zinc/31/37/29/132313729.db2.gz	ZGPMVNXNXXNCRQ-LDADJPATSA-N	-2	0	446.484	4.093	50	10		IICARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1Cl	ZINC000013660066	132352685	/nfs/dbraw/zinc/35/26/85/132352685.db2.gz	NARYCXZZLHNNPX-WMZJFQQLSA-N	-2	0	441.654	4.027	50	10		IICARL
O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)o2)ccc1Cl	ZINC000015837042	526341503	/nfs/dbraw/zinc/34/15/03/526341503.db2.gz	BPZYGICGBZZDQD-WJDWOHSUSA-N	-2	0	442.855	4.093	50	10		IICARL
CCCSc1nnc(-c2ccccc2N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c(=O)[n-]1	ZINC000015015568	556484726	/nfs/dbraw/zinc/48/47/26/556484726.db2.gz	YMBOGHSYUNKTCU-JXAWBTAJSA-N	-2	0	446.536	4.465	50	10		IICARL
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1	ZINC000008742846	132292485	/nfs/dbraw/zinc/29/24/85/132292485.db2.gz	BENSUKRITBUIIY-LDADJPATSA-N	-2	0	432.457	4.196	50	10		IICARL
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000334162600	569402255	/nfs/dbraw/zinc/40/22/55/569402255.db2.gz	CAUSUDHNCKFSMN-UNOMPAQXSA-N	-2	0	449.850	4.006	50	10		IICARL
C[C@H](Oc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1)C(=O)[O-]	ZINC000008861649	132296562	/nfs/dbraw/zinc/29/65/62/132296562.db2.gz	QBNRXLOFIVAIOK-WULZRQGASA-N	-2	0	449.246	4.352	50	10		IICARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1C	ZINC000013785749	132354498	/nfs/dbraw/zinc/35/44/98/132354498.db2.gz	ZWBKKOXXNQKGDN-UDWIEESQSA-N	-2	0	444.443	4.441	50	10		IICARL
Cc1c(Br)c(O)c(C(C)C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000006142720	568845412	/nfs/dbraw/zinc/84/54/12/568845412.db2.gz	RXCNCAARFILFPS-UHFFFAOYSA-N	-2	0	429.292	4.296	50	10		IICARL
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4C(=O)[O-])c3=O)n2)cc1	ZINC000008396322	569463252	/nfs/dbraw/zinc/46/32/52/569463252.db2.gz	FBTXRPYXQOVFMT-FTGFMQHASA-N	-2	0	435.465	4.392	50	10		IICARL
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4C(=O)[O-])c3=O)n2)cc1	ZINC000012275691	523164381	/nfs/dbraw/zinc/16/43/81/523164381.db2.gz	FBTXRPYXQOVFMT-IUBFCHALSA-N	-2	0	435.465	4.392	50	10		IICARL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)o2)c1	ZINC000012868223	526370480	/nfs/dbraw/zinc/37/04/80/526370480.db2.gz	NITZCLZBZVGGMH-LFIBNONCSA-N	-2	0	442.855	4.093	50	10		IICARL
Cc1ccccc1N1C(=O)C(=Cc2cccn2-c2cccc(C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000036503742	569115656	/nfs/dbraw/zinc/11/56/56/569115656.db2.gz	NZZMKBBUWMSSOR-AQTBWJFISA-N	-2	0	431.473	4.156	50	10		IICARL
O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000016676227	557475111	/nfs/dbraw/zinc/47/51/11/557475111.db2.gz	FUHDLJPFSULWAL-BJMVGYQFSA-N	-2	0	438.248	4.279	50	10		IICARL
CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000009884856	569572786	/nfs/dbraw/zinc/57/27/86/569572786.db2.gz	QLZUQKHPLKDSDM-VUVCFOEZSA-N	-2	0	445.518	4.028	50	10		IICARL
CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000012414299	523855345	/nfs/dbraw/zinc/85/53/45/523855345.db2.gz	QLZUQKHPLKDSDM-QJISPJEISA-N	-2	0	445.518	4.028	50	10		IICARL
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)c1C	ZINC000012628345	524531028	/nfs/dbraw/zinc/53/10/28/524531028.db2.gz	QNRFBPVWLXRJCH-PDGQHHTCSA-N	-2	0	446.484	4.093	50	10		IICARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1	ZINC000015723019	568812096	/nfs/dbraw/zinc/81/20/96/568812096.db2.gz	CUGLMODKGGEERJ-PDGQHHTCSA-N	-2	0	432.388	4.160	50	10		IICARL
O=C([O-])c1ccc([C@@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1	ZINC000096114596	569382839	/nfs/dbraw/zinc/38/28/39/569382839.db2.gz	LPCLDRMAASOYKL-HNNXBMFYSA-N	-2	0	444.395	4.010	50	10	biogenic	IICARL
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000016160936	556586078	/nfs/dbraw/zinc/58/60/78/556586078.db2.gz	HSPDXBGLNANXNI-BOPFTXTBSA-N	-2	0	433.376	4.065	50	10		IICARL
O=S(=O)([N-]c1cc(Sc2nc[nH]n2)c([O-])c2ccccc12)c1ccc(Cl)cc1	ZINC000002685352	562929751	/nfs/dbraw/zinc/92/97/51/562929751.db2.gz	CLTMZTQXUGUMOX-UHFFFAOYSA-N	-2	0	432.914	4.269	50	10		IICARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000038185377	569462353	/nfs/dbraw/zinc/46/23/53/569462353.db2.gz	GOVMUTLUPYGYMP-GHXNOFRVSA-N	-2	0	445.815	4.168	50	10		IICARL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Cl)c3[O-])C2=O)c1	ZINC000009434826	132317443	/nfs/dbraw/zinc/31/74/43/132317443.db2.gz	IVBBJLUJUJXTOO-AUWJEWJLSA-N	-2	0	449.688	4.091	50	10		IICARL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)o2)cc1	ZINC000016955888	556650320	/nfs/dbraw/zinc/65/03/20/556650320.db2.gz	IVEMSGHVLIZORC-PTNGSMBKSA-N	-2	0	436.420	4.456	50	10		IICARL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1	ZINC000008872535	569480960	/nfs/dbraw/zinc/48/09/60/569480960.db2.gz	IHYWLSDTYNUGHP-GDNBJRDFSA-N	-2	0	443.242	4.413	50	10		IICARL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)c1	ZINC000002685375	556119035	/nfs/dbraw/zinc/11/90/35/556119035.db2.gz	JBMGUIKTRXIFRQ-UHFFFAOYSA-N	-2	0	426.523	4.232	50	10		IICARL
O=C([O-])c1cccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4ccc(F)cc4)C3=O)o2)c1	ZINC000017159588	556670556	/nfs/dbraw/zinc/67/05/56/556670556.db2.gz	BXDQZCAUWFWBRT-BOPFTXTBSA-N	-2	0	436.420	4.456	50	10		IICARL
Cc1ccc(NN=C2c3ccc(S(=O)(=O)[O-])cc3C=C(S(=O)(=O)[O-])C2=O)c(C)c1	ZINC000003861456	555949201	/nfs/dbraw/zinc/94/92/01/555949201.db2.gz	YYYARFHFWYKNLF-FMQUCBEESA-N	-2	0	436.467	4.071	50	10	in-vitro	IICARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000038185490	569462310	/nfs/dbraw/zinc/46/23/10/569462310.db2.gz	ITHKKRRVOGERDQ-MLPAPPSSSA-N	-2	0	445.815	4.168	50	10		IICARL
CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000009884857	569572792	/nfs/dbraw/zinc/57/27/92/569572792.db2.gz	QLZUQKHPLKDSDM-QAEAHILHSA-N	-2	0	445.518	4.028	50	10		IICARL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)[N-]C2=S)c1C	ZINC000009323237	132313679	/nfs/dbraw/zinc/31/36/79/132313679.db2.gz	XETJVQMWQQRQOI-LDADJPATSA-N	-2	0	446.484	4.093	50	10		IICARL
O=C([O-])c1cc(-c2ccc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)o2)ccc1Cl	ZINC000015799980	556552801	/nfs/dbraw/zinc/55/28/01/556552801.db2.gz	PDOKWUQBHPRJOB-DHDCSXOGSA-N	-2	0	440.795	4.394	50	10		IICARL
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(C(=O)[O-])cc4)c3=O)n2)cc1	ZINC000100343294	557257955	/nfs/dbraw/zinc/25/79/55/557257955.db2.gz	FIUUXVWPOYFVBS-IUBFCHALSA-N	-2	0	435.465	4.392	50	10		IICARL
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(C(=O)[O-])cc4)c3=O)n2)cc1	ZINC000100343298	557258099	/nfs/dbraw/zinc/25/80/99/557258099.db2.gz	FIUUXVWPOYFVBS-FTGFMQHASA-N	-2	0	435.465	4.392	50	10		IICARL
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)cc1	ZINC000016266009	568875075	/nfs/dbraw/zinc/87/50/75/568875075.db2.gz	VUPVHPPYNMRRFH-KGENOOAVSA-N	-2	0	442.427	4.471	50	10		IICARL
O=C([O-])c1cccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)c1	ZINC000013799961	132354580	/nfs/dbraw/zinc/35/45/80/132354580.db2.gz	SBYZFWUWMLXMCF-BOPFTXTBSA-N	-2	0	436.807	4.169	50	10		IICARL
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)c1	ZINC000009724331	132327715	/nfs/dbraw/zinc/32/77/15/132327715.db2.gz	QACCIOUTGAIGRZ-UNOMPAQXSA-N	-2	0	446.484	4.093	50	10		IICARL
C[C@@H](Oc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1)C(=O)[O-]	ZINC000033149414	556878601	/nfs/dbraw/zinc/87/86/01/556878601.db2.gz	QBNRXLOFIVAIOK-WWNSAXIVSA-N	-2	0	449.246	4.352	50	10		IICARL
COc1ccccc1N1C(=O)C(=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000033286902	557064241	/nfs/dbraw/zinc/06/42/41/557064241.db2.gz	RIWKIDNYOWDHJH-FOWTUZBSSA-N	-2	0	448.456	4.325	50	10		IICARL
O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl	ZINC000008853701	569479585	/nfs/dbraw/zinc/47/95/85/569479585.db2.gz	SPQXOQXFQCQUBV-YBEGLDIGSA-N	-2	0	443.242	4.413	50	10		IICARL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)c1	ZINC000001214757	132240091	/nfs/dbraw/zinc/24/00/91/132240091.db2.gz	OMSZOJOXUNIEGS-AWNIVKPZSA-N	-2	0	449.688	4.091	50	10		IICARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000016216949	568873083	/nfs/dbraw/zinc/87/30/83/568873083.db2.gz	ODEHBDZZRAQFJU-PDGQHHTCSA-N	-2	0	432.388	4.160	50	10		IICARL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1	ZINC000013785806	132354504	/nfs/dbraw/zinc/35/45/04/132354504.db2.gz	JCSVDCROZQGKLW-GZTJUZNOSA-N	-2	0	436.807	4.169	50	10		IICARL
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000020036771	556970567	/nfs/dbraw/zinc/97/05/67/556970567.db2.gz	BQDMOQIYLYNIMB-YBEGLDIGSA-N	-2	0	428.286	4.483	50	10		IICARL
CCc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)cc1	ZINC000002685380	569416901	/nfs/dbraw/zinc/41/69/01/569416901.db2.gz	QDGHREVQMWQVBQ-UHFFFAOYSA-N	-2	0	426.523	4.178	50	10		IICARL
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000020036783	556970489	/nfs/dbraw/zinc/97/04/89/556970489.db2.gz	ZSHVMJLGUMRKBU-GDNBJRDFSA-N	-2	0	428.286	4.483	50	10		IICARL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)o1	ZINC000008872534	562965562	/nfs/dbraw/zinc/96/55/62/562965562.db2.gz	MMXKHPDFFPKFKN-XNTDXEJSSA-N	-2	0	443.242	4.413	50	10		IICARL