smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C1SC(=Cc2ccc(OCC(=O)[O-])c(Br)c2)C(O)=C1c1nccs1	ZINC000033651823	569261771	/nfs/dbraw/zinc/26/17/71/569261771.db2.gz	RAVCCFOGQXKTRC-QWHGACLASA-N	-1	2	439.312	3.787	40	30		IHEBLM
Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1NN=C1C=CC=C(c2cccc(C(=O)[O-])c2)C1=O	ZINC000100794657	557276288	/nfs/dbraw/zinc/27/62/88/557276288.db2.gz	TYEXNVNUZXJNBN-QLYXXIJNSA-N	-1	2	442.475	3.779	40	30		IHEBLM
O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000085409776	526833148	/nfs/dbraw/zinc/83/31/48/526833148.db2.gz	IKOULFQYMGFLKW-AWEZNQCLSA-N	-1	2	429.435	3.601	40	30		IHEBLM
Cc1cc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)ccc1Cl	ZINC000020352406	557008990	/nfs/dbraw/zinc/00/89/90/557008990.db2.gz	CQMFKYLROYCYRE-LTRAUPRXSA-N	-1	2	431.901	3.937	40	30		IHEBLM
Cc1cc(/N=C2\S[C@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)ccc1Cl	ZINC000020352406	557008994	/nfs/dbraw/zinc/00/89/94/557008994.db2.gz	CQMFKYLROYCYRE-LTRAUPRXSA-N	-1	2	431.901	3.937	40	30		IHEBLM
Cc1cc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)ccc1Cl	ZINC000020352408	557009223	/nfs/dbraw/zinc/00/92/23/557009223.db2.gz	CQMFKYLROYCYRE-YZNZPZSRSA-N	-1	2	431.901	3.937	40	30		IHEBLM
Cc1cc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)ccc1Cl	ZINC000020352408	557009228	/nfs/dbraw/zinc/00/92/28/557009228.db2.gz	CQMFKYLROYCYRE-YZNZPZSRSA-N	-1	2	431.901	3.937	40	30		IHEBLM
O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000085409773	526834326	/nfs/dbraw/zinc/83/43/26/526834326.db2.gz	IKOULFQYMGFLKW-CQSZACIVSA-N	-1	2	429.435	3.601	40	30		IHEBLM
C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408938133	556897239	/nfs/dbraw/zinc/89/72/39/556897239.db2.gz	KLTDLRPAPAADTQ-XSFVSMFZSA-N	-1	2	442.427	3.769	40	30		IHEBLM
Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1NN=C1C=CC=C(c2cccc(C(=O)[O-])c2)C1=O	ZINC000252551075	569191039	/nfs/dbraw/zinc/19/10/39/569191039.db2.gz	TYEXNVNUZXJNBN-UHFFFAOYSA-N	-1	2	442.475	3.779	40	30		IHEBLM