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-])CCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)SC1=S	ZINC000018141027	539647032	/nfs/dbraw/zinc/64/70/32/539647032.db2.gz	DUVGVROSFWRBSZ-XFFZJAGNSA-N	-1	2	368.392	2.366	50	10		FECALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000002283853	132383085	/nfs/dbraw/zinc/38/30/85/132383085.db2.gz	YBQQMWZDOUOHCD-XNTDXEJSSA-N	-1	2	350.330	2.360	50	10		FECALM
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C(=O)[O-]	ZINC000013389043	539587000	/nfs/dbraw/zinc/58/70/00/539587000.db2.gz	GJDNIYXFOYVXQK-UVTDQMKNSA-N	-1	2	366.329	2.060	50	10		FECALM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000020602015	539675607	/nfs/dbraw/zinc/67/56/07/539675607.db2.gz	HKWBSNIFOIASSE-GDNBJRDFSA-N	-1	2	365.345	2.272	50	10		FECALM
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000097963992	222217558	/nfs/dbraw/zinc/21/75/58/222217558.db2.gz	VTOLVABIRJMCQV-IWKHNONTSA-N	-1	2	365.349	2.334	50	10		FECALM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000005137458	539403820	/nfs/dbraw/zinc/40/38/20/539403820.db2.gz	UCKXXZJOGIWWKX-GDNBJRDFSA-N	-1	2	365.345	2.272	50	10		FECALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000004808894	132255068	/nfs/dbraw/zinc/25/50/68/132255068.db2.gz	YBQQMWZDOUOHCD-GDNBJRDFSA-N	-1	2	350.330	2.360	50	10		FECALM
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000004805579	539393253	/nfs/dbraw/zinc/39/32/53/539393253.db2.gz	NMXUZBJHFNVAKJ-DHDCSXOGSA-N	-1	2	366.329	2.060	50	10		FECALM
Cc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000019624583	539664295	/nfs/dbraw/zinc/66/42/95/539664295.db2.gz	AKSAIBWGYOACTR-GDNBJRDFSA-N	-1	2	365.345	2.272	50	10		FECALM
O=C([O-])c1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1F	ZINC000019079437	206325146	/nfs/dbraw/zinc/32/51/46/206325146.db2.gz	GBUGYXMRQMBYLN-UHFFFAOYSA-N	-1	2	353.356	2.329	50	10		FECALM
Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)s1	ZINC000001170432	132380658	/nfs/dbraw/zinc/38/06/58/132380658.db2.gz	MBFVAYNTFXKXKZ-MDWZMJQESA-N	-1	2	356.359	2.421	50	10		FECALM
Cc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000101642402	570821917	/nfs/dbraw/zinc/82/19/17/570821917.db2.gz	AKSAIBWGYOACTR-XNTDXEJSSA-N	-1	2	365.345	2.272	50	10		FECALM
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(=O)[O-])c1	ZINC000097963977	209200940	/nfs/dbraw/zinc/20/09/40/209200940.db2.gz	MEMPNYIPHMDWFJ-IWKHNONTSA-N	-1	2	365.349	2.334	50	10		FECALM
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(=O)[O-])c1	ZINC000101469839	209226767	/nfs/dbraw/zinc/22/67/67/209226767.db2.gz	MEMPNYIPHMDWFJ-WGLILOHCSA-N	-1	2	365.349	2.334	50	10		FECALM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(=O)[O-])C2=O)cc1	ZINC000019832349	539670090	/nfs/dbraw/zinc/67/00/90/539670090.db2.gz	BGURZFCNUXRMND-UVTDQMKNSA-N	-1	2	365.345	2.272	50	10		FECALM
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000101469869	570820715	/nfs/dbraw/zinc/82/07/15/570820715.db2.gz	VTOLVABIRJMCQV-WGLILOHCSA-N	-1	2	365.349	2.334	50	10		FECALM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc2nsnc21	ZINC000002926019	539356880	/nfs/dbraw/zinc/35/68/80/539356880.db2.gz	JPKPNNDBRFCFJV-UHFFFAOYSA-N	-1	2	365.392	2.199	50	10		FECALM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000018271837	539648654	/nfs/dbraw/zinc/64/86/54/539648654.db2.gz	IECWPNSBYHMJBL-GDNBJRDFSA-N	-1	2	366.329	2.264	50	10		FECALM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000038161166	136118530	/nfs/dbraw/zinc/11/85/30/136118530.db2.gz	UCKXXZJOGIWWKX-XNTDXEJSSA-N	-1	2	365.345	2.272	50	10		FECALM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(=O)[O-])C2=O)cc1	ZINC000103790217	570852301	/nfs/dbraw/zinc/85/23/01/570852301.db2.gz	BGURZFCNUXRMND-GXDHUFHOSA-N	-1	2	365.345	2.272	50	10		FECALM