smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000408536279	555759798	/nfs/dbraw/zinc/75/97/98/555759798.db2.gz	VSRNUXMJTNBOAU-ZROIWOOFSA-N	-2	0	431.246	4.090	40	10		IICBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c([O-])c(Cl)c2)C1=O	ZINC000409045155	556930285	/nfs/dbraw/zinc/93/02/85/556930285.db2.gz	FKFUBQIGKZLEBK-BJMVGYQFSA-N	-2	0	425.655	4.327	40	10		IICBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)c1	ZINC000408960795	556899530	/nfs/dbraw/zinc/89/95/30/556899530.db2.gz	OCGSPUPHPWOXPV-XDHOZWIPSA-N	-2	0	446.484	4.093	40	10		IICBRL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)o1	ZINC000409246400	557027961	/nfs/dbraw/zinc/02/79/61/557027961.db2.gz	HUQHTWHCXIAYHY-LDADJPATSA-N	-2	0	446.484	4.093	40	10		IICBRL
O=C([O-])Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c2ccccc21	ZINC000015013568	556484448	/nfs/dbraw/zinc/48/44/48/556484448.db2.gz	GEJFKTJVNCKWAT-ZROIWOOFSA-N	-2	0	439.880	4.051	40	10		IICBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)c1	ZINC000408780582	556854488	/nfs/dbraw/zinc/85/44/88/556854488.db2.gz	FLSHTDFCHCJLAC-UDWIEESQSA-N	-2	0	444.443	4.236	40	10		IICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3[O-])C2=O)cc1Cl	ZINC000409049234	556932182	/nfs/dbraw/zinc/93/21/82/556932182.db2.gz	VTYCELBNTYFEML-LFYBBSHMSA-N	-2	0	425.655	4.327	40	10		IICBRL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)o2)c1	ZINC000009259595	556267746	/nfs/dbraw/zinc/26/77/46/556267746.db2.gz	NITZCLZBZVGGMH-WJDWOHSUSA-N	-2	0	442.855	4.093	40	10		IICBRL
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)c1	ZINC000409238405	557019731	/nfs/dbraw/zinc/01/97/31/557019731.db2.gz	ZMQUQUXIZAJKAN-PDGQHHTCSA-N	-2	0	446.484	4.093	40	10		IICBRL
O=C([O-])C1=Cc2ccccc2C(=NNc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C1=O	ZINC000104123508	557320675	/nfs/dbraw/zinc/32/06/75/557320675.db2.gz	ROLANBQXOIOZEH-IZHYLOQSSA-N	-2	0	449.448	4.250	40	10		IICBRL
O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000034705777	555506869	/nfs/dbraw/zinc/50/68/69/555506869.db2.gz	ITUXTAMVKZXNDD-MOSHPQCFSA-N	-2	0	448.862	4.079	40	10		IICBRL
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000408526499	555715752	/nfs/dbraw/zinc/71/57/52/555715752.db2.gz	CGAGHLUYGFPFQY-ZROIWOOFSA-N	-2	0	431.246	4.090	40	10		IICBRL
CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[O-])n[nH]1	ZINC000408631391	556002829	/nfs/dbraw/zinc/00/28/29/556002829.db2.gz	IIVCFZBOHTUVOY-BOPFTXTBSA-N	-2	0	426.498	4.081	40	10		IICBRL
O=C([O-])c1cc(NC2=NC(=O)C(=Cc3ccc(Cl)cc3Cl)S2)cc(C(=O)[O-])c1	ZINC000016928368	569166513	/nfs/dbraw/zinc/16/65/13/569166513.db2.gz	JVWFDKVMGWGKRQ-NSIKDUERSA-N	-2	0	437.260	4.472	40	10		IICBRL
O=C([O-])C1=c2ccccc2=CC(=NNc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C1=O	ZINC000004972352	556024776	/nfs/dbraw/zinc/02/47/76/556024776.db2.gz	LLOHGIZSOJHHLC-OCOZRVBESA-N	-2	0	449.448	4.250	40	10		IICBRL
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000408723665	556150997	/nfs/dbraw/zinc/15/09/97/556150997.db2.gz	ZIDOLAGLXVRUNJ-LFYBBSHMSA-N	-2	0	427.696	4.184	40	10		IICBRL
Cc1cc(C)c(S(=O)(=O)[O-])cc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000299847785	556704650	/nfs/dbraw/zinc/70/46/50/556704650.db2.gz	DZCOAQKTFAIFRV-UHFFFAOYSA-N	-2	0	436.467	4.071	40	10		IICBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O	ZINC000408960741	556899453	/nfs/dbraw/zinc/89/94/53/556899453.db2.gz	IJDYALMQAHSBKX-CPNJWEJPSA-N	-2	0	444.443	4.182	40	10		IICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)[N-]C2=S)cc1	ZINC000408962526	556901502	/nfs/dbraw/zinc/90/15/02/556901502.db2.gz	YWSVJUVTVCGRAP-XDHOZWIPSA-N	-2	0	446.484	4.093	40	10		IICBRL
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc(C(=O)[O-])c4)c3=O)n2)cc1	ZINC000100510852	557412630	/nfs/dbraw/zinc/41/26/30/557412630.db2.gz	IMWHIQLZTOQPKD-IUBFCHALSA-N	-2	0	435.465	4.392	40	10		IICBRL
O=C([O-])c1cccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000033745109	569259693	/nfs/dbraw/zinc/25/96/93/569259693.db2.gz	QVZIDRFUQOGJRD-MOSHPQCFSA-N	-2	0	448.862	4.079	40	10		IICBRL
O=C([O-])c1cccc(COc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Cl)c1	ZINC000033784655	569259942	/nfs/dbraw/zinc/25/99/42/569259942.db2.gz	NIEWVFAMYKEYQE-UNOMPAQXSA-N	-2	0	448.862	4.079	40	10		IICBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000409041644	556929486	/nfs/dbraw/zinc/92/94/86/556929486.db2.gz	KIBNEZJALRSDRE-IZZDOVSWSA-N	-2	0	425.655	4.327	40	10		IICBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)c1	ZINC000408787353	556856786	/nfs/dbraw/zinc/85/67/86/556856786.db2.gz	YJZIBPBBDYMNRN-UDWIEESQSA-N	-2	0	444.443	4.236	40	10		IICBRL
O=C([N-]N1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC1=S)c1cccs1	ZINC000409350860	557078514	/nfs/dbraw/zinc/07/85/14/557078514.db2.gz	YXBABFCFFSFJKZ-WDZFZDKYSA-N	-2	0	431.347	4.307	40	10		IICBRL
Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)c1C	ZINC000408963283	556901878	/nfs/dbraw/zinc/90/18/78/556901878.db2.gz	YSUBNFANOGRZEM-XDHOZWIPSA-N	-2	0	444.443	4.236	40	10		IICBRL
CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2cc(C(=O)[O-])cc(C(=O)[O-])c2)C1=O	ZINC000016661211	556621168	/nfs/dbraw/zinc/62/11/68/556621168.db2.gz	UNTFIFMQLBMFIN-QWWHEIEGSA-N	-2	0	425.487	4.435	40	10		IICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000409135618	556969173	/nfs/dbraw/zinc/96/91/73/556969173.db2.gz	QNXDRJJVQLXYRM-LDADJPATSA-N	-2	0	446.484	4.093	40	10		IICBRL
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000409376671	557092389	/nfs/dbraw/zinc/09/23/89/557092389.db2.gz	CKRBQYPDBGKNAO-CPNJWEJPSA-N	-2	0	446.484	4.039	40	10		IICBRL
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409369711	557089117	/nfs/dbraw/zinc/08/91/17/557089117.db2.gz	FDJYQCOYMPURKP-UYRXBGFRSA-N	-2	0	446.484	4.039	40	10		IICBRL
CC(C)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000009884859	569572781	/nfs/dbraw/zinc/57/27/81/569572781.db2.gz	VPIXSUOGJBWOPH-ZUZCKIMGSA-N	-2	0	445.518	4.199	40	10		IICBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)c1C	ZINC000009323236	132313673	/nfs/dbraw/zinc/31/36/73/132313673.db2.gz	QNRFBPVWLXRJCH-LDADJPATSA-N	-2	0	446.484	4.093	40	10		IICBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)cc(Cl)c1[O-]	ZINC000059106222	557820287	/nfs/dbraw/zinc/82/02/87/557820287.db2.gz	VBCLZQSKAYTVLA-SDQBBNPISA-N	-2	0	439.624	4.454	40	10		IICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1	ZINC000408985683	556909157	/nfs/dbraw/zinc/90/91/57/556909157.db2.gz	XOTPUVRMSLIPRF-MOSHPQCFSA-N	-2	0	444.443	4.182	40	10		IICBRL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c([O-])c(Cl)c2)C1=O	ZINC000409060380	556937286	/nfs/dbraw/zinc/93/72/86/556937286.db2.gz	ZMAPURZXEGZGFV-NYYWCZLTSA-N	-2	0	425.655	4.327	40	10		IICBRL
Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)C2=O)c1C	ZINC000408854841	556871735	/nfs/dbraw/zinc/87/17/35/556871735.db2.gz	JXLOSTFNEIDOCS-XDHOZWIPSA-N	-2	0	444.443	4.236	40	10		IICBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)c1C	ZINC000409125002	556964735	/nfs/dbraw/zinc/96/47/35/556964735.db2.gz	MAFWJAUDNYSNAS-LDADJPATSA-N	-2	0	446.484	4.093	40	10		IICBRL
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)c1	ZINC000409231226	557022985	/nfs/dbraw/zinc/02/29/85/557022985.db2.gz	IQAQDARCFHJYQP-LDADJPATSA-N	-2	0	446.484	4.093	40	10		IICBRL
CCCc1nc(SC(=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)[O-])n[nH]1	ZINC000408633489	556008280	/nfs/dbraw/zinc/00/82/80/556008280.db2.gz	ZCCWMKPCVOJSGR-BOPFTXTBSA-N	-2	0	426.498	4.081	40	10		IICBRL
Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408819140	556864753	/nfs/dbraw/zinc/86/47/53/556864753.db2.gz	ZSDWVLAYJQNGGW-LPYMAVHISA-N	-2	0	443.459	4.297	40	10		IICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Br)c3[O-])C2=O)cc1C	ZINC000408844781	556868640	/nfs/dbraw/zinc/86/86/40/556868640.db2.gz	FHGFJHPNCGNYTH-VGOFMYFVSA-N	-2	0	449.688	4.091	40	10		IICBRL
O=C([O-])C1=c2ccccc2=CC(=NNc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C1=O	ZINC000104123592	557321064	/nfs/dbraw/zinc/32/10/64/557321064.db2.gz	LLOHGIZSOJHHLC-IZHYLOQSSA-N	-2	0	449.448	4.250	40	10		IICBRL
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc(C(=O)[O-])c4)c3=O)n2)cc1	ZINC000100510854	557412711	/nfs/dbraw/zinc/41/27/11/557412711.db2.gz	IMWHIQLZTOQPKD-FTGFMQHASA-N	-2	0	435.465	4.392	40	10		IICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Cl)c3[O-])C2=O)cc1C	ZINC000408846578	556868964	/nfs/dbraw/zinc/86/89/64/556868964.db2.gz	OFTPHSJLISOWIX-AUWJEWJLSA-N	-2	0	449.688	4.091	40	10		IICBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000059135307	557815325	/nfs/dbraw/zinc/81/53/25/557815325.db2.gz	XBESWGUXWNHHJV-XDHOZWIPSA-N	-2	0	447.422	4.438	40	10		IICBRL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)c([O-])c2ccccc12	ZINC000008974216	569492849	/nfs/dbraw/zinc/49/28/49/569492849.db2.gz	LKMVHTQXCGTFFI-UHFFFAOYSA-N	-2	0	437.271	4.325	40	10		IICBRL
CC(C)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000009884861	569572806	/nfs/dbraw/zinc/57/28/06/569572806.db2.gz	VPIXSUOGJBWOPH-GFHWABCWSA-N	-2	0	445.518	4.199	40	10		IICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)cc1C	ZINC000408847768	556869582	/nfs/dbraw/zinc/86/95/82/556869582.db2.gz	RLXLSVPMHAAUNI-UDWIEESQSA-N	-2	0	444.443	4.236	40	10		IICBRL
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000408535872	555756489	/nfs/dbraw/zinc/75/64/89/555756489.db2.gz	UHVFNEQMZKAVGT-ZROIWOOFSA-N	-2	0	431.246	4.090	40	10		IICBRL
CCc1ccccc1N1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)[N-]C1=S	ZINC000016162433	556586542	/nfs/dbraw/zinc/58/65/42/556586542.db2.gz	NVDFNPRDZVKTGY-ZROIWOOFSA-N	-2	0	444.896	4.037	40	10		IICBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)cc1C	ZINC000408855635	556871988	/nfs/dbraw/zinc/87/19/88/556871988.db2.gz	FHPDMNFNGKVRAX-AWNIVKPZSA-N	-2	0	449.688	4.091	40	10		IICBRL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)o2)cc1	ZINC000033332496	557807386	/nfs/dbraw/zinc/80/73/86/557807386.db2.gz	IVEMSGHVLIZORC-RVDMUPIBSA-N	-2	0	436.420	4.456	40	10		IICBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Cl)c([O-])c(Br)c1	ZINC000059135146	557815110	/nfs/dbraw/zinc/81/51/10/557815110.db2.gz	ZPMKFOQJCYDROV-VZUCSPMQSA-N	-2	0	439.624	4.454	40	10		IICBRL
Cc1ccc(NN=C2c3ccc(S(=O)(=O)[O-])cc3C=C(S(=O)(=O)[O-])C2=O)c(C)c1	ZINC000253388119	568920066	/nfs/dbraw/zinc/92/00/66/568920066.db2.gz	YYYARFHFWYKNLF-UHFFFAOYSA-N	-2	0	436.467	4.071	40	10		IICBRL
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)[N-]C1=S	ZINC000408959919	556900034	/nfs/dbraw/zinc/90/00/34/556900034.db2.gz	ALNXTQPGQYYDJH-LDADJPATSA-N	-2	0	446.484	4.093	40	10		IICBRL
O=C([O-])c1cc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)o2)ccc1Cl	ZINC000033316864	557807205	/nfs/dbraw/zinc/80/72/05/557807205.db2.gz	BPZYGICGBZZDQD-LFIBNONCSA-N	-2	0	442.855	4.093	40	10		IICBRL
O=C([O-])c1ccc(COc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Cl)cc1	ZINC000107879689	569260641	/nfs/dbraw/zinc/26/06/41/569260641.db2.gz	CIMPOBYFELBPOX-UNOMPAQXSA-N	-2	0	448.862	4.079	40	10		IICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1	ZINC000408982304	556907974	/nfs/dbraw/zinc/90/79/74/556907974.db2.gz	GKPQMZIXOLTBNW-MOSHPQCFSA-N	-2	0	444.443	4.182	40	10		IICBRL
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000409135604	556969097	/nfs/dbraw/zinc/96/90/97/556969097.db2.gz	PUMOBZUHHBITJR-PDGQHHTCSA-N	-2	0	446.484	4.093	40	10		IICBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)c1	ZINC000408788368	556856660	/nfs/dbraw/zinc/85/66/60/556856660.db2.gz	DZIQVTYKQLHQQV-UDWIEESQSA-N	-2	0	444.443	4.236	40	10		IICBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)cc1	ZINC000408986023	556909239	/nfs/dbraw/zinc/90/92/39/556909239.db2.gz	ZDAJANSZELHJTH-QPEQYQDCSA-N	-2	0	449.688	4.037	40	10		IICBRL
O=C([O-])C1=Cc2ccccc2C(=NNc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C1=O	ZINC000004972339	556024666	/nfs/dbraw/zinc/02/46/66/556024666.db2.gz	ROLANBQXOIOZEH-OCOZRVBESA-N	-2	0	449.448	4.250	40	10		IICBRL
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)c1	ZINC000409018544	556919749	/nfs/dbraw/zinc/91/97/49/556919749.db2.gz	XELRXBQXPNSIGM-UNOMPAQXSA-N	-2	0	446.484	4.093	40	10		IICBRL
O=C([O-])c1cccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)o2)c1	ZINC000059135748	557815559	/nfs/dbraw/zinc/81/55/59/557815559.db2.gz	RZSHVPQPSVNSCE-PTNGSMBKSA-N	-2	0	436.420	4.456	40	10		IICBRL
O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)o1	ZINC000059135826	557815573	/nfs/dbraw/zinc/81/55/73/557815573.db2.gz	DKDGDZLIVYYSKD-RVDMUPIBSA-N	-2	0	436.420	4.456	40	10		IICBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)[N-]C2=S)c(C)c1	ZINC000211032689	569261466	/nfs/dbraw/zinc/26/14/66/569261466.db2.gz	LNGIFCUMZIQKFN-LDADJPATSA-N	-2	0	446.484	4.093	40	10		IICBRL