smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000034683552	570301416	/nfs/dbraw/zinc/30/14/16/570301416.db2.gz	WGGUPIWJMJYCRO-UHFFFAOYSA-N	1	0	390.886	4.592	10	10		GJCERO
CN(CC[N+](C)(C)C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000139724818	717151915	/nfs/dbraw/zinc/15/19/15/717151915.db2.gz	IPKYGOKXQSAOHB-QZQOTICOSA-N	1	0	376.868	4.806	10	10		GJCERO
CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1	ZINC000011661040	209877504	/nfs/dbraw/zinc/87/75/04/209877504.db2.gz	OMTYZXSTXASTPA-NRFANRHFSA-N	1	0	391.490	4.750	10	10		GJCERO
COc1cccc(-c2ccc(O)c(C[NH2+]Cc3ccc(C(F)(F)F)cc3)c2)n1	ZINC000299761955	209083857	/nfs/dbraw/zinc/08/38/57/209083857.db2.gz	CJDJTVLSLNNVNO-UHFFFAOYSA-N	1	0	388.389	4.771	10	10		GJCERO
COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)[NH2+][C@@H]4C)ccc(O)c12	ZINC000003811680	206261186	/nfs/dbraw/zinc/26/11/86/206261186.db2.gz	JOXWHCNNDTWJPX-CHWSQXEVSA-N	1	0	379.456	4.536	10	10	in-vitro	GJCERO
Cc1ccc(N[C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)nc1	ZINC000045944539	212119094	/nfs/dbraw/zinc/11/90/94/212119094.db2.gz	BHMOEKIHHLHRPS-LJQANCHMSA-N	1	0	376.847	4.894	10	10		GJCERO
Cc1ccc(N[C@H](c2cccnc2)c2cc(Cl)c3cccnc3c2O)nc1	ZINC000045944558	212118398	/nfs/dbraw/zinc/11/83/98/212118398.db2.gz	YFRCBICCPRGOPZ-LJQANCHMSA-N	1	0	376.847	4.894	10	10		GJCERO
Cc1ccnc(N[C@H](c2ccncc2)c2cc(Cl)c3cccnc3c2O)c1	ZINC000045944569	212119589	/nfs/dbraw/zinc/11/95/89/212119589.db2.gz	OKFNGUUHEGVVEI-LJQANCHMSA-N	1	0	376.847	4.894	10	10		GJCERO