smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC([C@@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000001046178	209292941	/nfs/dbraw/zinc/29/29/41/209292941.db2.gz	XSEYTKPCVQSNGO-ZIAGYGMSSA-N	0	3	392.412	0.871	50	5		GCBAHN
CCN1CCN(CCCNc2cc(NCCO)c([N+](=O)[O-])c3nonc32)CC1	ZINC000020108075	210316562	/nfs/dbraw/zinc/31/65/62/210316562.db2.gz	GJCOZLGMIWSLGP-UHFFFAOYSA-N	0	3	393.448	0.975	50	5		GCBAHN
CCC([C@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000001046180	209292338	/nfs/dbraw/zinc/29/23/38/209292338.db2.gz	XSEYTKPCVQSNGO-KGLIPLIRSA-N	0	3	392.412	0.871	50	5		GCBAHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H](O)CN1CCOCC1	ZINC000079051192	205378711	/nfs/dbraw/zinc/37/87/11/205378711.db2.gz	OYYUGFLJOACYLD-MRXNPFEDSA-N	0	3	380.445	0.857	50	5		GCBAHN
CCN1CCN([C@H](C)CNc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1	ZINC000048274533	570229710	/nfs/dbraw/zinc/22/97/10/570229710.db2.gz	ZRYUIWPBUNXDAE-CYBMUJFWSA-N	0	3	385.490	0.941	50	5		GCBAHN
CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc([N+](=O)[O-])cc1	ZINC000001314579	570957425	/nfs/dbraw/zinc/95/74/25/570957425.db2.gz	ANPPPPYNAUALDW-UHFFFAOYSA-N	0	3	387.400	0.353	50	5		GCBAHN
CCOC(=O)N1CCN([N+]([O-])=NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000219622571	570846655	/nfs/dbraw/zinc/84/66/55/570846655.db2.gz	ATUZYMMYUIOCEZ-UHFFFAOYSA-N	0	3	385.313	0.769	50	5	in-vitro	GCBAHN
CCC([C@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000001046179	212209739	/nfs/dbraw/zinc/20/97/39/212209739.db2.gz	XSEYTKPCVQSNGO-KBPBESRZSA-N	0	3	392.412	0.871	50	5		GCBAHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H](O)CN1CCOCC1	ZINC000079051182	222301529	/nfs/dbraw/zinc/30/15/29/222301529.db2.gz	OYYUGFLJOACYLD-INIZCTEOSA-N	0	3	380.445	0.857	50	5		GCBAHN
CCC([C@@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000001046177	206345268	/nfs/dbraw/zinc/34/52/68/206345268.db2.gz	XSEYTKPCVQSNGO-UONOGXRCSA-N	0	3	392.412	0.871	50	5		GCBAHN
CCN1CCN([C@@H](C)CNc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1	ZINC000048274529	570229765	/nfs/dbraw/zinc/22/97/65/570229765.db2.gz	ZRYUIWPBUNXDAE-ZDUSSCGKSA-N	0	3	385.490	0.941	50	5		GCBAHN
CCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O	ZINC000009419030	221079813	/nfs/dbraw/zinc/07/98/13/221079813.db2.gz	FIWXVIUHNDQFMQ-UHFFFAOYSA-N	0	3	375.385	0.940	50	5		GCBAHN