smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000013740022	204550267	/nfs/dbraw/zinc/55/02/67/204550267.db2.gz	DWCCOSWGQYUFFH-UHFFFAOYSA-N	-1	0	363.325	4.316	1	5		FIBFRM
O=C([O-])c1c(=O)nc2c3cccc4c3c(ccc4NCc3cccs3)c1-2	ZINC000045389602	205121492	/nfs/dbraw/zinc/12/14/92/205121492.db2.gz	URVWUHROKFMYAC-UHFFFAOYSA-N	-1	0	360.394	4.100	1	5		FIBFRM
O=C([O-])c1ccc2c(c1)nc(-c1ccccc1)c1nc(NC3CC3)ncc21	ZINC000043206125	205101222	/nfs/dbraw/zinc/10/12/22/205101222.db2.gz	QMHQAKQXSBEHAC-UHFFFAOYSA-N	-1	0	356.385	4.118	1	5		FIBFRM
CCCN(c1cccc(OC)c1)c1ccc([N+](=O)[O-])c2[nH]c(C(=O)[O-])cc21	ZINC000103242904	205989424	/nfs/dbraw/zinc/98/94/24/205989424.db2.gz	SBVPWOFNMHXEGG-UHFFFAOYSA-N	-1	0	369.377	4.331	1	5		FIBFRM
O=C([O-])c1cc(-c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)on1	ZINC000049803649	221027540	/nfs/dbraw/zinc/02/75/40/221027540.db2.gz	CVGVBGQCPNCCMO-UHFFFAOYSA-N	-1	0	374.736	4.180	1	5		FIBFRM
O=C([O-])c1cc(=O)c2cc3sc4ccccc4c3c(Br)c2[nH]1	ZINC000169319977	209518036	/nfs/dbraw/zinc/51/80/36/209518036.db2.gz	OGRSFTQQHSRALI-UHFFFAOYSA-N	-1	0	374.215	4.357	1	5		FIBFRM
COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1CCC[C@](C)(O4)O1	ZINC000040972696	209213137	/nfs/dbraw/zinc/21/31/37/209213137.db2.gz	ZUEKQPJBVORAFH-YUNKPMOVSA-N	-1	0	354.358	4.011	1	5	in-vitro	FIBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ncncc21	ZINC000066111473	208696573	/nfs/dbraw/zinc/69/65/73/208696573.db2.gz	OLURLVRSWYHKKA-UHFFFAOYSA-N	-1	0	350.765	4.273	1	5		FIBFRM
Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccccc1[S-]	ZINC000098085660	222228015	/nfs/dbraw/zinc/22/80/15/222228015.db2.gz	VLVIJFKZGZRXJO-IBGZPJMESA-N	-1	0	369.446	4.195	1	5		FIBFRM
Cc1ccc2c(c1)[nH]c1c2c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000058575884	212012601	/nfs/dbraw/zinc/01/26/01/212012601.db2.gz	NPBUNSLCDPXIQL-UHFFFAOYSA-N	-1	0	350.349	4.117	1	5		FIBFRM
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000029219863	211508078	/nfs/dbraw/zinc/50/80/78/211508078.db2.gz	KHYBYWGCAJCYFB-UHFFFAOYSA-N	-1	0	350.330	4.345	1	5		FIBFRM
O=C([O-])c1cc2c([nH]1)c([N+](=O)[O-])ccc2-c1ccc(C(F)(F)F)cc1	ZINC000103244188	222328096	/nfs/dbraw/zinc/32/80/96/222328096.db2.gz	VWKNTTXTYUWGGN-UHFFFAOYSA-N	-1	0	350.252	4.460	1	5		FIBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ncncc21	ZINC000066112946	221241816	/nfs/dbraw/zinc/24/18/16/221241816.db2.gz	WSXPHOLBCMJTBO-UHFFFAOYSA-N	-1	0	368.755	4.412	1	5		FIBFRM
O=C([O-])CCCCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000029464330	220605451	/nfs/dbraw/zinc/60/54/51/220605451.db2.gz	FQCCGXOOIBWOQQ-UHFFFAOYSA-N	-1	0	356.806	4.392	1	5		FIBFRM
O=C([O-])c1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2)cc1	ZINC000096938300	222143295	/nfs/dbraw/zinc/14/32/95/222143295.db2.gz	UEHBCXRGXQAAOY-UHFFFAOYSA-N	-1	0	362.341	4.212	1	5		FIBFRM
O=C([O-])c1cc2c([nH]1)c([N+](=O)[O-])ccc2-c1cccc(C(F)(F)F)c1	ZINC000103242925	222328391	/nfs/dbraw/zinc/32/83/91/222328391.db2.gz	NFLZIPAMVQWBCS-UHFFFAOYSA-N	-1	0	350.252	4.460	1	5		FIBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nccnc21	ZINC000066104624	221241084	/nfs/dbraw/zinc/24/10/84/221241084.db2.gz	KJEMKYFGYRZDJV-UHFFFAOYSA-N	-1	0	350.765	4.273	1	5		FIBFRM
O=c1[nH]c2cc(Cl)cc(Cl)c2c([O-])c1-c1ccc([N+](=O)[O-])cc1	ZINC000013727264	220091110	/nfs/dbraw/zinc/09/11/10/220091110.db2.gz	RVJGGXHSQRVBHL-UHFFFAOYSA-N	-1	0	351.145	4.116	1	5		FIBFRM
CC(C)(CC(=O)[O-])Cc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013826795	220096800	/nfs/dbraw/zinc/09/68/00/220096800.db2.gz	SBWBKVBFKWCOKQ-UHFFFAOYSA-N	-1	0	367.405	4.036	1	5		FIBFRM
O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2c([O-])c1-c1ccc(F)cc1F	ZINC000036185250	220805796	/nfs/dbraw/zinc/80/57/96/220805796.db2.gz	WGYLUERNBCIDCK-UHFFFAOYSA-N	-1	0	352.680	4.153	1	5		FIBFRM