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(Nc1cc(Cl)ccc1OCCc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000201362133	527114356	/nfs/dbraw/zinc/11/43/56/527114356.db2.gz	RUGMRGVJSWQLDY-UHFFFAOYSA-N	-1	0	447.274	5.481	10	5		IKBERM
CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C(=O)[O-]	ZINC000004097699	560194842	/nfs/dbraw/zinc/19/48/42/560194842.db2.gz	NYWCITDWPAZNBU-DYISAODMSA-N	-1	0	426.597	5.827	10	5	in-vitro	IKBERM
O=C(Nc1cc(/C=C/c2ccc(Cl)cc2)ccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-]	ZINC000048533007	569258012	/nfs/dbraw/zinc/25/80/12/569258012.db2.gz	URDFGYZZNOYHFN-OWOJBTEDSA-N	-1	0	429.259	6.030	10	5		IKBERM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3cc4ccccc4cc3c(=O)o2)cc1	ZINC000104740719	569258686	/nfs/dbraw/zinc/25/86/86/569258686.db2.gz	RNNPMVXMYZDKEP-UHFFFAOYSA-N	-1	0	442.496	5.117	10	5		IKBERM
Cc1c(Cl)cnc([N-]c2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c1Cl	ZINC000031458299	563083329	/nfs/dbraw/zinc/08/33/29/563083329.db2.gz	JKPIDASMRMDKJH-UHFFFAOYSA-N	-1	0	445.568	5.929	10	5		IKBERM
O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2F)ccc1[O-]	ZINC000043079487	563118502	/nfs/dbraw/zinc/11/85/02/563118502.db2.gz	LTXXKZHSUJZFAC-UHFFFAOYSA-N	-1	0	438.308	5.517	10	5		IKBERM
O=[N+]([O-])c1cc(C(F)(F)F)c([O-])c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl	ZINC000098085051	568795053	/nfs/dbraw/zinc/79/50/53/568795053.db2.gz	UHIQLHVOWPJDKN-UHFFFAOYSA-N	-1	0	446.647	5.038	10	5		IKBERM
O=C([O-])c1cc2nc3ccccc3c-2n(-c2ccc([N+](=O)[O-])cc2)c1/C=C/c1ccccc1	ZINC000020036520	569332674	/nfs/dbraw/zinc/33/26/74/569332674.db2.gz	PQCXONDJZMMEEE-XNTDXEJSSA-N	-1	0	435.439	5.907	10	5		IKBERM