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-])CC[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1	ZINC000739659934	599926375	/nfs/dbraw/zinc/92/63/75/599926375.db2.gz	RHBCFTCVXMCJFA-LEBHLANCSA-N	-2	0	362.769	3.979	20	30		FHEDRL
Cc1[nH]c(C(=O)[O-])c(C)c1C([O-])=C(C#N)c1nc2cc(F)ccc2s1	ZINC000738156960	604882840	/nfs/dbraw/zinc/88/28/40/604882840.db2.gz	NSBXFAZESMUAFQ-JTQLQIEISA-N	-2	0	357.366	3.569	20	30		FHEDRL
CSc1ccc([C@H](CC(=O)[O-])/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000738199564	599843066	/nfs/dbraw/zinc/84/30/66/599843066.db2.gz	NVEGTURSEWASPP-PACYTGELSA-N	-2	0	360.391	3.657	20	30		FHEDRL
N#CC(=C([O-])c1ccc(CNC(=O)[O-])o1)c1nc(-c2ccccc2)cs1	ZINC000831064316	604225109	/nfs/dbraw/zinc/22/51/09/604225109.db2.gz	FKOULNOWRLQBNE-ZDUSSCGKSA-N	-2	0	367.386	3.661	20	30		FHEDRL
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000738247277	600099512	/nfs/dbraw/zinc/09/95/12/600099512.db2.gz	ZLMAHMCYTHTYJS-KRWDZBQOSA-N	-2	0	374.396	3.699	20	30		FHEDRL
O=C([O-])c1ccc2[nH]cc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)c2c1	ZINC000740191438	600181214	/nfs/dbraw/zinc/18/12/14/600181214.db2.gz	ZGZYPJHTOYHKSS-UHFFFAOYSA-N	-2	0	357.753	3.664	20	30		FHEDRL
COc1cc(NC(=O)[O-])c(Cl)cc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000829166875	604212741	/nfs/dbraw/zinc/21/27/41/604212741.db2.gz	AJUPRZSKCBXIAH-VIFPVBQESA-N	-2	0	365.798	3.694	20	30		FHEDRL
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(Br)cc(F)c1[O-]	ZINC000783772108	605328590	/nfs/dbraw/zinc/32/85/90/605328590.db2.gz	JUETTXUFRVZSIZ-UHFFFAOYSA-N	-2	0	367.174	3.828	20	30		FHEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000833914494	605971494	/nfs/dbraw/zinc/97/14/94/605971494.db2.gz	WJZGZIXOEILQOV-QMMMGPOBSA-N	-2	0	358.404	3.641	20	30		FHEDRL
O=C([O-])CC[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1	ZINC000739659931	599926387	/nfs/dbraw/zinc/92/63/87/599926387.db2.gz	RHBCFTCVXMCJFA-FVOVHSBVSA-N	-2	0	362.769	3.979	20	30		FHEDRL
CSc1ccc([C@H](CC(=O)[O-])/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000738199571	599843023	/nfs/dbraw/zinc/84/30/23/599843023.db2.gz	NVEGTURSEWASPP-ZNBBLSJYSA-N	-2	0	360.391	3.657	20	30		FHEDRL
O=C([O-])CC[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1	ZINC000739659935	599926269	/nfs/dbraw/zinc/92/62/69/599926269.db2.gz	RHBCFTCVXMCJFA-SAGYFLTASA-N	-2	0	362.769	3.979	20	30		FHEDRL
O=C([O-])C(C([O-])=CSc1cccc(Cl)c1)c1nc2ccccc2[nH]1	ZINC000739497858	599763695	/nfs/dbraw/zinc/76/36/95/599763695.db2.gz	GKUGYSVQJWKYSD-UHFFFAOYSA-N	-2	0	360.822	3.835	20	30		FHEDRL
CSc1ccc([C@@H](CC(=O)[O-])/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000738199568	599843072	/nfs/dbraw/zinc/84/30/72/599843072.db2.gz	NVEGTURSEWASPP-YQYFLZKSSA-N	-2	0	360.391	3.657	20	30		FHEDRL
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(C(=O)[O-])c(F)c1	ZINC000833386481	605156045	/nfs/dbraw/zinc/15/60/45/605156045.db2.gz	IXGSSZCFBZCQEI-UHFFFAOYSA-N	-2	0	350.733	3.712	20	30		FHEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000833914555	605973954	/nfs/dbraw/zinc/97/39/54/605973954.db2.gz	XHNFCHYKHGGGBP-QMMMGPOBSA-N	-2	0	350.425	3.611	20	30		FHEDRL
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc(NC(=O)[O-])c1	ZINC000738247179	600056374	/nfs/dbraw/zinc/05/63/74/600056374.db2.gz	VYMNNNXRFHNHON-OAHLLOKOSA-N	-2	0	361.357	3.772	20	30		FHEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000833913419	605971456	/nfs/dbraw/zinc/97/14/56/605971456.db2.gz	BILMWKKYJBUSQB-LLVKDONJSA-N	-2	0	352.375	3.580	20	30		FHEDRL
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cccc(C(=O)[O-])c1Cl)CC2	ZINC000588559845	936316334	/nfs/dbraw/zinc/31/63/34/936316334.db2.gz	OVECZHFAIQITOJ-YFHOEESVSA-N	-2	0	360.749	3.850	20	30		FHEDRL
CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1C#N	ZINC000546152087	947054099	/nfs/dbraw/zinc/05/40/99/947054099.db2.gz	WEJLOUYAVZZTDB-UHFFFAOYSA-N	-2	0	370.217	3.645	20	30		FHEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)[nH]1	ZINC000833093789	601331133	/nfs/dbraw/zinc/33/11/33/601331133.db2.gz	BBQOFTNBLXZCHD-SOFGYWHQSA-N	-2	0	351.314	3.567	20	30		FHEDRL
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1	ZINC000763370340	604666781	/nfs/dbraw/zinc/66/67/81/604666781.db2.gz	OHHYYQIVMUUMPC-UHFFFAOYSA-N	-2	0	365.345	3.574	20	30		FHEDRL
O=C([O-])c1cc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)c[nH]1	ZINC000833093244	601792450	/nfs/dbraw/zinc/79/24/50/601792450.db2.gz	WZCATRCYVGYEBV-BHQIHCQQSA-N	-2	0	351.314	3.567	20	30		FHEDRL
O=C([O-])c1ccc(OCC/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000740165640	599886940	/nfs/dbraw/zinc/88/69/40/599886940.db2.gz	OUNXSXSTWHHKFO-DJKKODMXSA-N	-2	0	354.189	3.895	20	30		FHEDRL
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000738247278	600099586	/nfs/dbraw/zinc/09/95/86/600099586.db2.gz	ZLMAHMCYTHTYJS-QGZVFWFLSA-N	-2	0	374.396	3.699	20	30		FHEDRL
O=C([O-])CC[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1	ZINC000739659938	599926155	/nfs/dbraw/zinc/92/61/55/599926155.db2.gz	RHBCFTCVXMCJFA-VAODSVERSA-N	-2	0	362.769	3.979	20	30		FHEDRL
CN(Cc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1)C(=O)[O-]	ZINC000737475956	600274096	/nfs/dbraw/zinc/27/40/96/600274096.db2.gz	DMSQUNNPAHTEKL-UHFFFAOYSA-N	-2	0	363.757	3.814	20	30		FHEDRL
O=C([O-])N1CCc2cc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])ccc21	ZINC000740529074	602232172	/nfs/dbraw/zinc/23/21/72/602232172.db2.gz	HFJZEVAUVAFMGW-UHFFFAOYSA-N	-2	0	361.741	3.745	20	30		FHEDRL
O=C([O-])Nc1ccc(CCN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000740015663	600365954	/nfs/dbraw/zinc/36/59/54/600365954.db2.gz	PFYVXSXYIDTWGZ-NVMNQCDNSA-N	-2	0	363.757	3.705	20	30		FHEDRL
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-]	ZINC000832849313	604399487	/nfs/dbraw/zinc/39/94/87/604399487.db2.gz	CMGXNRSNTMKTBT-UHFFFAOYSA-N	-2	0	372.427	3.580	20	30		FHEDRL
O=C([O-])c1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)c[nH]1	ZINC000833093245	601792586	/nfs/dbraw/zinc/79/25/86/601792586.db2.gz	WZCATRCYVGYEBV-LZCJLJQNSA-N	-2	0	351.314	3.567	20	30		FHEDRL
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc(NC(=O)[O-])c1	ZINC000738247176	600056327	/nfs/dbraw/zinc/05/63/27/600056327.db2.gz	VYMNNNXRFHNHON-HNNXBMFYSA-N	-2	0	361.357	3.772	20	30		FHEDRL
COc1cc(NC(=O)[O-])c(Cl)cc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000829166874	604212837	/nfs/dbraw/zinc/21/28/37/604212837.db2.gz	AJUPRZSKCBXIAH-SECBINFHSA-N	-2	0	365.798	3.694	20	30		FHEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000833913420	605971278	/nfs/dbraw/zinc/97/12/78/605971278.db2.gz	BILMWKKYJBUSQB-NSHDSACASA-N	-2	0	352.375	3.580	20	30		FHEDRL
O=C([O-])Nc1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1F	ZINC000740001562	600056714	/nfs/dbraw/zinc/05/67/14/600056714.db2.gz	DCHLTWDVGUOLJU-UHFFFAOYSA-N	-2	0	353.693	3.933	20	30		FHEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000833914493	605971440	/nfs/dbraw/zinc/97/14/40/605971440.db2.gz	WJZGZIXOEILQOV-MRVPVSSYSA-N	-2	0	358.404	3.641	20	30		FHEDRL
CSc1ccc([C@@H](CC(=O)[O-])/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000738199560	599842902	/nfs/dbraw/zinc/84/29/02/599842902.db2.gz	NVEGTURSEWASPP-BFERYNQYSA-N	-2	0	360.391	3.657	20	30		FHEDRL
O=C([O-])COc1cccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000739831612	600567657	/nfs/dbraw/zinc/56/76/57/600567657.db2.gz	LIUGTVTZGJQMPH-UFWORHAWSA-N	-2	0	354.189	3.782	20	30		FHEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000833914553	605973991	/nfs/dbraw/zinc/97/39/91/605973991.db2.gz	XHNFCHYKHGGGBP-MRVPVSSYSA-N	-2	0	350.425	3.611	20	30		FHEDRL
N#Cc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cc1[O-]	ZINC000189034883	941143842	/nfs/dbraw/zinc/14/38/42/941143842.db2.gz	CLKPQLWFYZQMTR-UHFFFAOYSA-N	-2	0	367.586	3.638	20	30		FHEDRL
O=C([O-])CCSCc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000739751654	600057638	/nfs/dbraw/zinc/05/76/38/600057638.db2.gz	IHTTYELNWNGRMD-UHFFFAOYSA-N	-2	0	360.391	3.759	20	30		FHEDRL
N#CC(=C([O-])c1ccc(CNC(=O)[O-])o1)c1nc(-c2ccccc2)cs1	ZINC000831064315	604224570	/nfs/dbraw/zinc/22/45/70/604224570.db2.gz	FKOULNOWRLQBNE-CYBMUJFWSA-N	-2	0	367.386	3.661	20	30		FHEDRL
Cc1[nH]c(C(=O)[O-])c(C)c1C([O-])=C(C#N)c1nc2cc(F)ccc2s1	ZINC000738156963	604883114	/nfs/dbraw/zinc/88/31/14/604883114.db2.gz	NSBXFAZESMUAFQ-SNVBAGLBSA-N	-2	0	357.366	3.569	20	30		FHEDRL
O=C([O-])Nc1ccc(CCN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000740015662	600365795	/nfs/dbraw/zinc/36/57/95/600365795.db2.gz	PFYVXSXYIDTWGZ-GIJQJNRQSA-N	-2	0	363.757	3.705	20	30		FHEDRL