smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ncn(Cc3ccc(O)c([N+](=O)[O-])c3)c2c(=O)n(C)c1=O	ZINC000001611124	201054932	/nfs/dbraw/zinc/05/49/32/201054932.db2.gz	LLWMYLUVPAFKNJ-UHFFFAOYSA-N	0	1	331.288	0.096	40	5		ECBBMN
CN1CCN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000022913978	436122621	/nfs/dbraw/zinc/12/26/21/436122621.db2.gz	KWNJYGXAIXQEPF-UHFFFAOYSA-N	0	1	342.421	0.511	40	5		ECBBMN
CCOC(=O)[C@@H](NS(C)(=O)=O)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000005326263	435987327	/nfs/dbraw/zinc/98/73/27/435987327.db2.gz	FASRUFVROBYRCC-WDEREUQCSA-N	0	1	332.334	0.109	40	5		ECBBMN
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000253572318	436847615	/nfs/dbraw/zinc/84/76/15/436847615.db2.gz	QARPHMSPLCTKQX-GFCCVEGCSA-N	0	1	348.363	0.660	40	5		ECBBMN
CN1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000022914082	212333905	/nfs/dbraw/zinc/33/39/05/212333905.db2.gz	VPLLZZYKJRJGSL-UHFFFAOYSA-N	0	1	328.394	0.121	40	5		ECBBMN
Cc1n[nH]c(-n2ccc3nc4ccn(CCO)c(=O)c4cc3c2=O)n1	ZINC000040372871	293089423	/nfs/dbraw/zinc/08/94/23/293089423.db2.gz	GFEUZYSQELMHHH-UHFFFAOYSA-N	0	1	338.327	0.119	40	5		ECBBMN
Cc1ccc(S(=O)(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000023227974	202100219	/nfs/dbraw/zinc/10/02/19/202100219.db2.gz	HPQZUIVXMUCHOZ-UHFFFAOYSA-N	0	1	342.421	0.429	40	5		ECBBMN
O=[N+]([O-])c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)c(O)c1	ZINC000217414880	545920985	/nfs/dbraw/zinc/92/09/85/545920985.db2.gz	NOUACKDTFSVMSB-VXNVDRBHSA-N	0	1	329.359	0.161	40	5		ECBBMN
CCOC(=O)[C@@H](NS(C)(=O)=O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000005326271	435987175	/nfs/dbraw/zinc/98/71/75/435987175.db2.gz	FASRUFVROBYRCC-QWRGUYRKSA-N	0	1	332.334	0.109	40	5		ECBBMN
O=[N+]([O-])c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)c(O)c1	ZINC000217414820	296505829	/nfs/dbraw/zinc/50/58/29/296505829.db2.gz	NOUACKDTFSVMSB-CBAPKCEASA-N	0	1	329.359	0.161	40	5		ECBBMN
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000225237783	564132323	/nfs/dbraw/zinc/13/23/23/564132323.db2.gz	QARPHMSPLCTKQX-LBPRGKRZSA-N	0	1	348.363	0.660	40	5		ECBBMN
CN1CCN(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000023237242	212362552	/nfs/dbraw/zinc/36/25/52/212362552.db2.gz	ZGNKAWXSTPQORR-UHFFFAOYSA-N	0	1	328.394	0.121	40	5		ECBBMN
CCOC(=O)[C@H](NS(C)(=O)=O)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000005325993	435986407	/nfs/dbraw/zinc/98/64/07/435986407.db2.gz	FASRUFVROBYRCC-GHMZBOCLSA-N	0	1	332.334	0.109	40	5		ECBBMN
CCOC(=O)[C@H](NS(C)(=O)=O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000005326004	435985747	/nfs/dbraw/zinc/98/57/47/435985747.db2.gz	FASRUFVROBYRCC-MNOVXSKESA-N	0	1	332.334	0.109	40	5		ECBBMN
C[NH+]1CCN(c2nn(-c3ccccc3[N+](=O)[O-])nc2C(=O)[O-])CC1	ZINC000256047965	436855999	/nfs/dbraw/zinc/85/59/99/436855999.db2.gz	PSFDVPUFGXJPLW-UHFFFAOYSA-N	0	1	332.320	0.626	40	5		ECBBMN
O=[N+]([O-])c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)c(O)c1	ZINC000217414943	545920478	/nfs/dbraw/zinc/92/04/78/545920478.db2.gz	NOUACKDTFSVMSB-APPZFPTMSA-N	0	1	329.359	0.161	40	5		ECBBMN
CN1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000022914088	212334729	/nfs/dbraw/zinc/33/47/29/212334729.db2.gz	VMUWLAUPKNDQDQ-UHFFFAOYSA-N	0	1	328.394	0.121	40	5		ECBBMN
NC(=O)C(=CN=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cs1)C(N)=O	ZINC000001637380	435961241	/nfs/dbraw/zinc/96/12/41/435961241.db2.gz	DSMMFRXERNBORU-UHFFFAOYSA-N	0	1	333.329	0.985	40	5		ECBBMN
C[NH+]1CCN(c2nn(-c3ccc([N+](=O)[O-])cc3)nc2C(=O)[O-])CC1	ZINC000256048539	436855749	/nfs/dbraw/zinc/85/57/49/436855749.db2.gz	UGDVKEGRZFAOIU-UHFFFAOYSA-N	0	1	332.320	0.626	40	5		ECBBMN
C[NH+]1CCN(c2nn(-c3cccc([N+](=O)[O-])c3)nc2C(=O)[O-])CC1	ZINC000256049372	436855913	/nfs/dbraw/zinc/85/59/13/436855913.db2.gz	ZOVQGZSROSMJJM-UHFFFAOYSA-N	0	1	332.320	0.626	40	5		ECBBMN
O=[N+]([O-])c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)c(O)c1	ZINC000217414743	304802891	/nfs/dbraw/zinc/80/28/91/304802891.db2.gz	NOUACKDTFSVMSB-IONNQARKSA-N	0	1	329.359	0.161	40	5		ECBBMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCN(C)CC1	ZINC000023247105	212363238	/nfs/dbraw/zinc/36/32/38/212363238.db2.gz	MFALVLRJVCUDOC-UHFFFAOYSA-N	0	1	342.421	0.429	40	5		ECBBMN
CN1CCN(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000013668029	436064700	/nfs/dbraw/zinc/06/47/00/436064700.db2.gz	CNRKUQANZZSNIK-UHFFFAOYSA-N	0	1	342.421	0.511	40	5		ECBBMN
N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(c2ncccn2)CC1	ZINC000225245144	436710859	/nfs/dbraw/zinc/71/08/59/436710859.db2.gz	XPFILIOTBDAHME-UHFFFAOYSA-N	0	1	328.336	0.949	40	5		ECBBMN