smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)C(Cl)(Cl)Cl	ZINC000020335140	204720132	/nfs/dbraw/zinc/72/01/32/204720132.db2.gz	USBHKCARMAZJBR-UHFFFAOYSA-N	-1	0	364.637	4.422	10	10		FICERM
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000005394226	206239717	/nfs/dbraw/zinc/23/97/17/206239717.db2.gz	LEJHZAUUTZQFBN-FCEWJHQRSA-N	-1	0	350.374	4.428	10	10		FICERM
COc1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1OC	ZINC000019888864	570905493	/nfs/dbraw/zinc/90/54/93/570905493.db2.gz	RMIPQOCGPWJYDZ-BXTJHSDWSA-N	-1	0	351.402	4.229	10	10		FICERM
COC(=O)c1ccc(C)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004676631	206237115	/nfs/dbraw/zinc/23/71/15/206237115.db2.gz	IQNJLLYQIGFFSP-YRNRMSPPSA-N	-1	0	363.413	4.306	10	10		FICERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1)OCO2	ZINC000020335102	204720861	/nfs/dbraw/zinc/72/08/61/204720861.db2.gz	NBJNFLZZUKPCSZ-UHFFFAOYSA-N	-1	0	367.382	4.094	10	10		FICERM
O=[N+]([O-])c1ccc(/N=N/c2cc3c(c4cccc(O)c24)NC[C@@H](O)C3)cc1	ZINC000038646713	205042178	/nfs/dbraw/zinc/04/21/78/205042178.db2.gz	WVJOJDCLAFKLPC-OXBTWTFQSA-N	-1	0	364.361	4.198	10	10		FICERM
COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1OC	ZINC000019888863	570905393	/nfs/dbraw/zinc/90/53/93/570905393.db2.gz	RMIPQOCGPWJYDZ-MDOVXXIYSA-N	-1	0	351.402	4.229	10	10		FICERM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C	ZINC000055437634	571309007	/nfs/dbraw/zinc/30/90/07/571309007.db2.gz	WLAPBRLNBZUXEQ-MOSHPQCFSA-N	-1	0	372.428	4.001	10	10		FICERM
Cc1c(Br)c([O-])c(O)c(O[C@H](C)c2ccccc2)c1C=O	ZINC000095942419	570471779	/nfs/dbraw/zinc/47/17/79/570471779.db2.gz	SWRIBGYXUGVTRP-SNVBAGLBSA-N	-1	0	351.196	4.121	10	10		FICERM
Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)SC2=S)c1C	ZINC000006055773	204236400	/nfs/dbraw/zinc/23/64/00/204236400.db2.gz	BRKYTJFUNROSCM-MHWRWJLKSA-N	-1	0	369.467	4.407	10	10		FICERM
O=C([O-])c1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1	ZINC000006644662	204257044	/nfs/dbraw/zinc/25/70/44/204257044.db2.gz	CGVCYJQZKDEBIO-LJQANCHMSA-N	-1	0	371.396	4.235	10	10		FICERM
COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1OC	ZINC000034766452	204981099	/nfs/dbraw/zinc/98/10/99/204981099.db2.gz	RMIPQOCGPWJYDZ-AVYPCKFXSA-N	-1	0	351.402	4.229	10	10		FICERM
Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1C1CC1	ZINC000059182359	205280264	/nfs/dbraw/zinc/28/02/64/205280264.db2.gz	YGLABGRETOIAKZ-BOPFTXTBSA-N	-1	0	355.438	4.075	10	10		FICERM
CCOc1cc(/N=N/c2ccc(Cl)c(S(=O)(=O)[O-])c2)c(C)cc1N	ZINC000111896759	206087003	/nfs/dbraw/zinc/08/70/03/206087003.db2.gz	OJYHXEGJQSWREJ-VHEBQXMUSA-N	-1	0	369.830	4.291	10	10		FICERM
[O-]c1ccc(Cl)c(F)c1CN[C@H](c1ncon1)c1ccc(Cl)cc1	ZINC000191503941	1101944084	/nfs/dbraw/zinc/94/40/84/1101944084.db2.gz	RJTBATBTPJHWLJ-HNNXBMFYSA-N	-1	0	368.195	4.100	10	10		FICERM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)cc1	ZINC000001192492	132380781	/nfs/dbraw/zinc/38/07/81/132380781.db2.gz	JNPNTPXTUWHBJF-PDGQHHTCSA-N	-1	0	364.401	4.325	10	10		FICERM
O=C([O-])c1ccc(C=C2SC(Nc3cccc(Cl)c3)=NC2=O)cc1	ZINC000016906111	207601258	/nfs/dbraw/zinc/60/12/58/207601258.db2.gz	DIQCEQBYOYUBFO-RIYZIHGNSA-N	-1	0	358.806	4.121	10	10		FICERM
O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3ccc(Cl)cc3)S2)c1	ZINC000016936352	207604595	/nfs/dbraw/zinc/60/45/95/207604595.db2.gz	FNMYEGCQLATOGC-ZSOIEALJSA-N	-1	0	358.806	4.121	10	10		FICERM
O=C([O-])c1cccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1	ZINC000033311658	208084167	/nfs/dbraw/zinc/08/41/67/208084167.db2.gz	XPRUWPQTJSJVDS-MAHQCVNESA-N	-1	0	367.451	4.347	10	10		FICERM
COc1ccc(N2CC[C@@H](C(=O)[O-])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	ZINC000040442881	208254258	/nfs/dbraw/zinc/25/42/58/208254258.db2.gz	DPKBRQZZZWDDNH-SJORKVTESA-N	-1	0	365.351	4.366	10	10		FICERM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccccc2)o1	ZINC000058822752	136131915	/nfs/dbraw/zinc/13/19/15/136131915.db2.gz	RPAYBYZZDIKVDM-LGMDPLHJSA-N	-1	0	358.353	4.453	10	10		FICERM
Cc1ccc(NC2=NC(=O)C(=Cc3ccccc3C(=O)[O-])S2)cc1C	ZINC000016905934	211171548	/nfs/dbraw/zinc/17/15/48/211171548.db2.gz	QHKVULGSPAEERX-MHWRWJLKSA-N	-1	0	352.415	4.084	10	10		FICERM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N2CCOCC2)cc1	ZINC000252622654	571288348	/nfs/dbraw/zinc/28/83/48/571288348.db2.gz	NZTHPWCZWGUMLZ-UHFFFAOYSA-N	-1	0	363.421	4.138	10	10		FICERM
O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3ccccc3Cl)S2)c1	ZINC000016936358	211173571	/nfs/dbraw/zinc/17/35/71/211173571.db2.gz	DGTCOHYIUMSUNA-ZROIWOOFSA-N	-1	0	358.806	4.121	10	10		FICERM
Cc1ccc(C)c(NC2=NC(=O)C(=Cc3ccccc3C(=O)[O-])S2)c1	ZINC000016905932	211171934	/nfs/dbraw/zinc/17/19/34/211171934.db2.gz	RSOJOPOTIHGQCG-MHWRWJLKSA-N	-1	0	352.415	4.084	10	10		FICERM
Cc1ccc(C(=O)[O-])c(NC2=NC(=O)C(=Cc3ccc(Cl)cc3)S2)c1	ZINC000016933955	211171835	/nfs/dbraw/zinc/17/18/35/211171835.db2.gz	HYTIHJYEDOQTFE-DHDCSXOGSA-N	-1	0	372.833	4.429	10	10		FICERM
Cc1c(Br)c([O-])c(O)c(O[C@@H](C)c2ccccc2)c1C=O	ZINC000095942418	570471773	/nfs/dbraw/zinc/47/17/73/570471773.db2.gz	SWRIBGYXUGVTRP-JTQLQIEISA-N	-1	0	351.196	4.121	10	10		FICERM
COc1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1OC	ZINC000034766447	571074092	/nfs/dbraw/zinc/07/40/92/571074092.db2.gz	RMIPQOCGPWJYDZ-AUSJPIAWSA-N	-1	0	351.402	4.229	10	10		FICERM
O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3cccc(Cl)c3)S2)c1	ZINC000016936355	211173696	/nfs/dbraw/zinc/17/36/96/211173696.db2.gz	TYVKDWCHQNJFJF-ZSOIEALJSA-N	-1	0	358.806	4.121	10	10		FICERM
Cc1ccc(C=C2SC(Nc3cc(C)ccc3C(=O)[O-])=NC2=O)cc1	ZINC000016933890	211171867	/nfs/dbraw/zinc/17/18/67/211171867.db2.gz	XETLAFBVEOOSOY-YBEGLDIGSA-N	-1	0	352.415	4.084	10	10		FICERM
Cc1ccc(C(=O)[O-])c(NC2=NC(=O)C(=Cc3cccc(Cl)c3)S2)c1	ZINC000016933957	211171713	/nfs/dbraw/zinc/17/17/13/211171713.db2.gz	STYUBJRRHOTOEI-DHDCSXOGSA-N	-1	0	372.833	4.429	10	10		FICERM
CCc1ccccc1N1C(=O)/C(=C\c2ccccc2C(=O)[O-])SC1=S	ZINC000016905809	211171556	/nfs/dbraw/zinc/17/15/56/211171556.db2.gz	CSCYNCQUIRSZAM-LFIBNONCSA-N	-1	0	369.467	4.353	10	10		FICERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)Cc1ccc(F)cc1	ZINC000020335060	211274796	/nfs/dbraw/zinc/27/47/96/211274796.db2.gz	MYMZZUMGIRVMGF-UHFFFAOYSA-N	-1	0	355.390	4.434	10	10		FICERM
C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S	ZINC000015034496	211114948	/nfs/dbraw/zinc/11/49/48/211114948.db2.gz	CXBZOLPQYPTPCC-COOUDCDJSA-N	-1	0	369.467	4.028	10	10		FICERM
[O-]c1ccc(Cl)c(F)c1CN[C@@H](c1ncon1)c1ccc(Cl)cc1	ZINC000191503957	1101944690	/nfs/dbraw/zinc/94/46/90/1101944690.db2.gz	RJTBATBTPJHWLJ-OAHLLOKOSA-N	-1	0	368.195	4.100	10	10		FICERM
Cc1ccc(C(=O)[O-])c(NC2=NC(=O)C(=Cc3ccccc3Cl)S2)c1	ZINC000016933959	211172701	/nfs/dbraw/zinc/17/27/01/211172701.db2.gz	HAKXPICKPDZLHF-DHDCSXOGSA-N	-1	0	372.833	4.429	10	10		FICERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1	ZINC000020335071	211275650	/nfs/dbraw/zinc/27/56/50/211275650.db2.gz	VRCVLRVVGUQJBT-UHFFFAOYSA-N	-1	0	353.399	4.131	10	10		FICERM
CCc1ccccc1NC1=NC(=O)C(=Cc2ccccc2C(=O)[O-])S1	ZINC000016905936	211172073	/nfs/dbraw/zinc/17/20/73/211172073.db2.gz	PPVBMCNKFKPNMK-LFIBNONCSA-N	-1	0	352.415	4.030	10	10		FICERM
O=C([O-])c1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1	ZINC000006644660	570650899	/nfs/dbraw/zinc/65/08/99/570650899.db2.gz	CGVCYJQZKDEBIO-IBGZPJMESA-N	-1	0	371.396	4.235	10	10		FICERM
[O-]c1c(Cl)cc(Cl)cc1CNCc1ncc(-c2ccccc2)cn1	ZINC000185874689	1101750336	/nfs/dbraw/zinc/75/03/36/1101750336.db2.gz	LQABHPNXIHRBEL-UHFFFAOYSA-N	-1	0	360.244	4.446	10	10		FICERM
Cc1ccc(C(=O)[O-])c(NC2=NC(=O)C(=Cc3ccccc3C)S2)c1	ZINC000016933885	220196613	/nfs/dbraw/zinc/19/66/13/220196613.db2.gz	JEKHGQOLXUBWRV-YBEGLDIGSA-N	-1	0	352.415	4.084	10	10		FICERM
Cc1cccc(N2C(=O)/C(=C\c3ccccc3C(=O)[O-])SC2=S)c1	ZINC000016905782	220196719	/nfs/dbraw/zinc/19/67/19/220196719.db2.gz	GAXHVRZDFFUKEB-XNTDXEJSSA-N	-1	0	355.440	4.099	10	10		FICERM
Cc1ccc(NC2=NC(=O)C(=Cc3ccccc3C(=O)[O-])S2)c(C)c1	ZINC000016905931	220197055	/nfs/dbraw/zinc/19/70/55/220197055.db2.gz	VIRCWOXQFDMEOI-MHWRWJLKSA-N	-1	0	352.415	4.084	10	10		FICERM
Cc1ccc(N2C(=O)/C(=C\c3ccccc3C(=O)[O-])SC2=S)cc1	ZINC000016905784	220196786	/nfs/dbraw/zinc/19/67/86/220196786.db2.gz	XRKGUDAXLBPQQH-XNTDXEJSSA-N	-1	0	355.440	4.099	10	10		FICERM
Cc1ccc(OCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)[O-])cc1	ZINC000020335107	220322426	/nfs/dbraw/zinc/32/24/26/220322426.db2.gz	KSKVFWUSIUIAIZ-UHFFFAOYSA-N	-1	0	367.426	4.439	10	10		FICERM
Cc1ccc(C)n1-c1c(Br)cc(Br)cc1C(=O)[O-]	ZINC000103989847	222348479	/nfs/dbraw/zinc/34/84/79/222348479.db2.gz	GEAGLVCMAZAADU-UHFFFAOYSA-N	-1	0	373.044	4.317	10	10		FICERM
CCc1ccc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)cc1	ZINC000016936306	220197530	/nfs/dbraw/zinc/19/75/30/220197530.db2.gz	NAIIPAIIMLXHDF-YBEGLDIGSA-N	-1	0	352.415	4.030	10	10		FICERM
Cc1ccc(N2C(=O)/C(=C\c3ccccc3C(=O)[O-])SC2=S)cc1C	ZINC000016905786	220197207	/nfs/dbraw/zinc/19/72/07/220197207.db2.gz	KYTCKGCQNCVETH-MHWRWJLKSA-N	-1	0	369.467	4.407	10	10		FICERM
CCc1ccc(NC2=NC(=O)C(=Cc3ccccc3C(=O)[O-])S2)cc1	ZINC000016905938	220197361	/nfs/dbraw/zinc/19/73/61/220197361.db2.gz	BQNSYPFKSNDTPN-LFIBNONCSA-N	-1	0	352.415	4.030	10	10		FICERM
CCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000058822848	535731407	/nfs/dbraw/zinc/73/14/07/535731407.db2.gz	SVCHVJBVJBOMIJ-PTNGSMBKSA-N	-1	0	370.792	4.245	10	10		FICERM
CCc1ccc(C=C2SC(Nc3cc(C)ccc3C(=O)[O-])=NC2=O)cc1	ZINC000016933893	220197172	/nfs/dbraw/zinc/19/71/72/220197172.db2.gz	CQFRSJADAJPAOV-BOPFTXTBSA-N	-1	0	366.442	4.338	10	10		FICERM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2cccc(Cl)c2)S1	ZINC000016936237	220197067	/nfs/dbraw/zinc/19/70/67/220197067.db2.gz	GIJJNDIEHRYCJM-ZROIWOOFSA-N	-1	0	358.806	4.121	10	10		FICERM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc(F)cc1	ZINC000001225691	132381296	/nfs/dbraw/zinc/38/12/96/132381296.db2.gz	CPJLEXXPSVXDOZ-SFQUDFHCSA-N	-1	0	360.344	4.486	10	10		FICERM