smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1C(=O)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[n-]2)CC1	ZINC000035926326	525048749	/nfs/dbraw/zinc/04/87/49/525048749.db2.gz	JNYFGJGDQNNDBB-UHFFFAOYSA-N	-1	3	486.620	2.359	10	0		JEAEHM
O=S(=O)(Cc1ccccc1)[N-][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2cccc(F)c2)n1	ZINC000008296204	527197873	/nfs/dbraw/zinc/19/78/73/527197873.db2.gz	QLFFSAGPEUEPAQ-FNAHDJPLSA-N	-1	3	470.526	2.349	10	0		JEAEHM
COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc4c(c3)OCO4)[n-]c2=O)cc1	ZINC000022721108	524166086	/nfs/dbraw/zinc/16/60/86/524166086.db2.gz	DAJXQORKENYZFX-UHFFFAOYSA-N	-1	3	466.479	2.284	10	0		JEAEHM
NC(=O)C1(N2CCCCC2)CCN(c2ncc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1	ZINC000096399394	130076881	/nfs/dbraw/zinc/07/68/81/130076881.db2.gz	KHOVERJIFSKRMN-UHFFFAOYSA-N	-1	3	469.517	2.481	10	0		JEAEHM
CN(Cc1ccon1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)cc1	ZINC000020118022	555654806	/nfs/dbraw/zinc/65/48/06/555654806.db2.gz	LDUSLJQLPVJEDM-KRWDZBQOSA-N	-1	3	453.499	2.027	10	0		JEAEHM
O=C1Nc2ccc(Br)cc2C(=O)N2CC[C@H]([N-]S(=O)(=O)c3cccs3)C[C@@H]12	ZINC000003840437	194363037	/nfs/dbraw/zinc/36/30/37/194363037.db2.gz	AVADXHBMUMWFAE-FZMZJTMJSA-N	-1	3	470.370	2.414	10	0		JEAEHM
NC(=O)C1(N2CCCCC2)CCN(c2ncc(NC(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1	ZINC000096399393	130076878	/nfs/dbraw/zinc/07/68/78/130076878.db2.gz	QQDNQDZKRUZWOY-UHFFFAOYSA-N	-1	3	469.517	2.481	10	0		JEAEHM
CCc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N4CCOCC4)c([O-])c3c2)cc1	ZINC000006181199	554515587	/nfs/dbraw/zinc/51/55/87/554515587.db2.gz	UIVVVAXXLGKDGE-UHFFFAOYSA-N	-1	3	455.536	2.388	10	0		JEAEHM
COc1ccc(C(=O)Nc2cnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)c(C(=O)[O-])c2)cc1	ZINC000096399400	130076821	/nfs/dbraw/zinc/07/68/21/130076821.db2.gz	OVCIOQBYQQRPAZ-UHFFFAOYSA-N	-1	3	481.553	2.351	10	0		JEAEHM
NC(=O)C1(N2CCCCC2)CCN(c2ncc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1	ZINC000096399397	130076849	/nfs/dbraw/zinc/07/68/49/130076849.db2.gz	BANWKLLEJSKSFS-UHFFFAOYSA-N	-1	3	457.556	2.404	10	0		JEAEHM
O=C(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000328578022	570178964	/nfs/dbraw/zinc/17/89/64/570178964.db2.gz	JVLYAOKVBRIBCM-AJYBTWMASA-N	-1	3	472.400	2.406	10	0		JEAEHM
NC(=O)C1(N2CCCCC2)CCN(c2ncc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1	ZINC000096399398	130076858	/nfs/dbraw/zinc/07/68/58/130076858.db2.gz	ZGKUBQXNEHVTPV-UHFFFAOYSA-N	-1	3	451.527	2.342	10	0		JEAEHM
CN(Cc1ccon1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)cc1	ZINC000020118020	555654848	/nfs/dbraw/zinc/65/48/48/555654848.db2.gz	LDUSLJQLPVJEDM-QGZVFWFLSA-N	-1	3	453.499	2.027	10	0		JEAEHM
O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3ccccc3)cc1)C2=O	ZINC000027522792	556287056	/nfs/dbraw/zinc/28/70/56/556287056.db2.gz	YGSHWGLPISCDOX-UHFFFAOYSA-N	-1	3	480.436	2.347	10	0		JEAEHM