smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2cnc3ccn(-n4cnnc4)c(=O)c3c2ccn1-c1nnc[nH]1	ZINC000072452762	203227015	/nfs/dbraw/zinc/22/70/15/203227015.db2.gz	TWOJZVVKQZCSIG-UHFFFAOYSA-N	0	1	347.298	-0.278	10	5		EBBEMN
CC(=O)Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c(=O)[nH]1	ZINC000169531634	377431288	/nfs/dbraw/zinc/43/12/88/377431288.db2.gz	ICXKGRMAIPXLBF-PRJMDXOYSA-N	0	1	327.297	-0.820	10	5		EBBEMN
CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O	ZINC000246850628	375875219	/nfs/dbraw/zinc/87/52/19/375875219.db2.gz	ZXADCCOVNNPXPZ-GUTXKFCHSA-N	0	1	341.412	-0.071	10	5		EBBEMN
CC[C@H](O)CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000174091832	420953367	/nfs/dbraw/zinc/95/33/67/420953367.db2.gz	VJAZKBLQMSTESE-UONOGXRCSA-N	0	1	327.385	-0.459	10	5		EBBEMN
CC[C@@H](O)CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000174091846	420953382	/nfs/dbraw/zinc/95/33/82/420953382.db2.gz	VJAZKBLQMSTESE-ZIAGYGMSSA-N	0	1	327.385	-0.459	10	5		EBBEMN
CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O	ZINC000246850645	375874748	/nfs/dbraw/zinc/87/47/48/375874748.db2.gz	ZXADCCOVNNPXPZ-GZBFAFLISA-N	0	1	341.412	-0.071	10	5		EBBEMN
Cc1ccc(S(=O)(=O)N(Cc2nn[nH]n2)[N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000020407195	212125290	/nfs/dbraw/zinc/12/52/90/212125290.db2.gz	PDUIAEGMCWAKJP-UHFFFAOYSA-N	0	1	343.281	-0.201	10	5		EBBEMN
CC[C@@H](O)CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000174091820	420953667	/nfs/dbraw/zinc/95/36/67/420953667.db2.gz	VJAZKBLQMSTESE-KGLIPLIRSA-N	0	1	327.385	-0.459	10	5		EBBEMN
CCN(CCO)c1nc[n-]c(=NN2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC000040614050	213358108	/nfs/dbraw/zinc/35/81/08/213358108.db2.gz	NSTKKGLMKQSBLF-UHFFFAOYSA-N	0	1	325.373	-0.222	10	5		EBBEMN
C[C@H](O)[C@H](N)C(=O)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)O	ZINC000071788491	376539340	/nfs/dbraw/zinc/53/93/40/376539340.db2.gz	DFUSHSVTCFOXPE-OSTYVCCYSA-N	0	1	340.336	-0.893	10	5		EBBEMN
C[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)O	ZINC000071788492	376538731	/nfs/dbraw/zinc/53/87/31/376538731.db2.gz	DFUSHSVTCFOXPE-ULCXWNMLSA-N	0	1	340.336	-0.893	10	5		EBBEMN
CNC(=O)CN1CCC(CN(C)c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000301348972	155169447	/nfs/dbraw/zinc/16/94/47/155169447.db2.gz	IACFFLMETQUBHS-UHFFFAOYSA-N	0	1	337.384	-0.139	10	5		EBBEMN
CC[C@H](O)CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000174091807	419107981	/nfs/dbraw/zinc/10/79/81/419107981.db2.gz	VJAZKBLQMSTESE-KBPBESRZSA-N	0	1	327.385	-0.459	10	5		EBBEMN
C[C@@H](O)[C@H](NC(=O)[C@@H](N)[C@H](C)O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071788490	376538930	/nfs/dbraw/zinc/53/89/30/376538930.db2.gz	DFUSHSVTCFOXPE-VVJJBPBLSA-N	0	1	340.336	-0.893	10	5		EBBEMN
CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O	ZINC000246850673	375874652	/nfs/dbraw/zinc/87/46/52/375874652.db2.gz	ZXADCCOVNNPXPZ-UMVBOHGHSA-N	0	1	341.412	-0.071	10	5		EBBEMN
C[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)O	ZINC000004899899	210316588	/nfs/dbraw/zinc/31/65/88/210316588.db2.gz	DFUSHSVTCFOXPE-FUAUIPCOSA-N	0	1	340.336	-0.893	10	5		EBBEMN