smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c([O-])c2c(c3c1OC(C)(C)C=C3)OC[C@H](c1ccc(O)cc1O)C2=O	ZINC000096111560	291273428	/nfs/dbraw/zinc/27/34/28/291273428.db2.gz	JFNOODAWRZYNPU-GOSISDBHSA-N	-1	3	422.477	4.855	10	0		HJAEHM
O=C([O-])c1cc(NCC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccccc21	ZINC000021715320	568749456	/nfs/dbraw/zinc/74/94/56/568749456.db2.gz	NYTDIRKCBWNNCL-UHFFFAOYSA-N	-1	3	409.917	4.911	10	0		HJAEHM
CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(C)cc1	ZINC000020874363	558418690	/nfs/dbraw/zinc/41/86/90/558418690.db2.gz	NBMDBKFUVFUHDN-UHFFFAOYSA-N	-1	3	405.494	4.961	10	0		HJAEHM
COc1ccc(-c2ccc3nc(-c4c([O-])cccc4OC)oc3c2)c(OC)c1OC	ZINC000023458268	559175562	/nfs/dbraw/zinc/17/55/62/559175562.db2.gz	FPVDSSQBNFTAJR-UHFFFAOYSA-N	-1	3	407.422	4.902	10	0		HJAEHM
CCCCc1nc(Cl)c2n1Cc1ccc(-c3ccccc3-c3nnn[n-]3)cc1C2	ZINC000035644902	558794815	/nfs/dbraw/zinc/79/48/15/558794815.db2.gz	RSKIKNQMNCWQMT-UHFFFAOYSA-N	-1	3	404.905	4.679	10	0	in-vitro	HJAEHM
CCCCc1nc(Cl)c2n1Cc1ccc(-c3ccccc3-c3nn[n-]n3)cc1C2	ZINC000035644902	558794816	/nfs/dbraw/zinc/79/48/16/558794816.db2.gz	RSKIKNQMNCWQMT-UHFFFAOYSA-N	-1	3	404.905	4.679	10	0	in-vitro	HJAEHM
CC(C)=CCC[C@@H](C)N(C)Cc1nc(-c2ccccc2[N-]S(C)(=O)=O)oc1C	ZINC000055035782	569376238	/nfs/dbraw/zinc/37/62/38/569376238.db2.gz	UAGQREPIMHALLG-MRXNPFEDSA-N	-1	3	405.564	4.588	10	0		HJAEHM
CC(C)=CCc1c([O-])c2c(c3c1OC(C)(C)C=C3)OC[C@@H](c1ccc(O)cc1O)C2=O	ZINC000096111561	291273434	/nfs/dbraw/zinc/27/34/34/291273434.db2.gz	JFNOODAWRZYNPU-SFHVURJKSA-N	-1	3	422.477	4.855	10	0		HJAEHM
O=C(Nc1nnc(SCc2ccc(Cl)cc2)[n-]1)c1ccccc1Br	ZINC000003344619	568884269	/nfs/dbraw/zinc/88/42/69/568884269.db2.gz	BPKAGEBDDLBQJL-UHFFFAOYSA-N	-1	3	423.723	4.765	10	0		HJAEHM
O=C(Nc1nc(SCc2ccc(Cl)cc2)n[n-]1)c1ccccc1Br	ZINC000003344619	568884271	/nfs/dbraw/zinc/88/42/71/568884271.db2.gz	BPKAGEBDDLBQJL-UHFFFAOYSA-N	-1	3	423.723	4.765	10	0		HJAEHM
O=C(Nc1n[n-]c(SCc2ccc(Cl)cc2)n1)c1ccccc1Br	ZINC000003344619	568884274	/nfs/dbraw/zinc/88/42/74/568884274.db2.gz	BPKAGEBDDLBQJL-UHFFFAOYSA-N	-1	3	423.723	4.765	10	0		HJAEHM
COc1cccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c1[O-]	ZINC000023457249	559176212	/nfs/dbraw/zinc/17/62/12/559176212.db2.gz	SQDQHMONOYWTKH-UHFFFAOYSA-N	-1	3	407.422	4.902	10	0		HJAEHM
CC(C)=CCC[C@H](C)N(C)Cc1nc(-c2ccccc2[N-]S(C)(=O)=O)oc1C	ZINC000055035781	569376278	/nfs/dbraw/zinc/37/62/78/569376278.db2.gz	UAGQREPIMHALLG-INIZCTEOSA-N	-1	3	405.564	4.588	10	0		HJAEHM