smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc([N+](=O)[O-])c(N2CCNCC2)c([N+](=O)[O-])c1[O-]	ZINC000002690346	292005342	/nfs/dbraw/zinc/00/53/42/292005342.db2.gz	DSQDZSNGOXMVBV-UHFFFAOYSA-N	-1	3	326.265	0.405	40	5		ECBBHM
Cc1nc(N)[n-]c(=O)c1CCCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000017014782	436096763	/nfs/dbraw/zinc/09/67/63/436096763.db2.gz	FBPBCOTUXQFUHI-UHFFFAOYSA-N	-1	3	331.332	0.931	40	5		ECBBHM
Cc1nc(N)[n-]c(=O)c1CCCNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000017039733	436096870	/nfs/dbraw/zinc/09/68/70/436096870.db2.gz	UAOACRXSRXTEHP-UHFFFAOYSA-N	-1	3	331.332	0.931	40	5		ECBBHM
CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071979980	436032231	/nfs/dbraw/zinc/03/22/31/436032231.db2.gz	RGENFHBRMRTVOO-ZDUSSCGKSA-N	-1	3	349.343	0.942	40	5		ECBBHM
CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071979978	436034018	/nfs/dbraw/zinc/03/40/18/436034018.db2.gz	WPZFIRRILZRFIF-ZDUSSCGKSA-N	-1	3	349.343	0.942	40	5		ECBBHM
CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071979979	289899542	/nfs/dbraw/zinc/89/95/42/289899542.db2.gz	WPZFIRRILZRFIF-CYBMUJFWSA-N	-1	3	349.343	0.942	40	5		ECBBHM
CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071979981	436034750	/nfs/dbraw/zinc/03/47/50/436034750.db2.gz	RGENFHBRMRTVOO-CYBMUJFWSA-N	-1	3	349.343	0.942	40	5		ECBBHM
CN1CCN(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000023237242	212362553	/nfs/dbraw/zinc/36/25/53/212362553.db2.gz	ZGNKAWXSTPQORR-UHFFFAOYSA-N	-1	3	328.394	0.121	40	5		ECBBHM
CC(C)=C1N=C2[N-]C(=O)C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)N2N1	ZINC000101772245	436549823	/nfs/dbraw/zinc/54/98/23/436549823.db2.gz	NNJCVYDSKWNZRX-NSHDSACASA-N	-1	3	344.331	0.849	40	5		ECBBHM
O=c1[n-]cnc2c1ncn2-c1cc([N+](=O)[O-])c(CCO)c([N+](=O)[O-])c1	ZINC000018192541	211987451	/nfs/dbraw/zinc/98/74/51/211987451.db2.gz	NQJVSYPFXNCUPR-UHFFFAOYSA-N	-1	3	346.259	0.460	40	5		ECBBHM
CC(=O)CCn1nc([N+](=O)[O-])nc1-c1nnc(Br)[n-]1	ZINC000006186098	435997880	/nfs/dbraw/zinc/99/78/80/435997880.db2.gz	GWGPIEDLMGIXEO-UHFFFAOYSA-N	-1	3	330.102	0.713	40	5		ECBBHM
CC(=O)CCn1nc([N+](=O)[O-])nc1-c1nc(Br)n[n-]1	ZINC000006186098	435997885	/nfs/dbraw/zinc/99/78/85/435997885.db2.gz	GWGPIEDLMGIXEO-UHFFFAOYSA-N	-1	3	330.102	0.713	40	5		ECBBHM