smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc(S/C(=C\c2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)[O-])o1	ZINC000408631542	569983101	/nfs/dbraw/zinc/98/31/01/569983101.db2.gz	KEMWCVZVGKUONA-UITAMQMPSA-N	-2	0	463.209	3.068	40	5		JGBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000408606140	569971099	/nfs/dbraw/zinc/97/10/99/569971099.db2.gz	OQENRBZIYHUPCD-VQHVLOKHSA-N	-2	0	497.420	3.291	40	5		JGBBRL
COc1cc(OC)cc(-c2nc(SC(=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])C(=O)[O-])n[nH]2)c1	ZINC000408631889	569983322	/nfs/dbraw/zinc/98/33/22/569983322.db2.gz	GYILGGHIUMEWFH-UUASQNMZSA-N	-2	0	489.422	3.229	40	5		JGBBRL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)ccc1Cl	ZINC000016428671	556138867	/nfs/dbraw/zinc/13/88/67/556138867.db2.gz	WWTAZRWPXXMWOU-UHFFFAOYSA-N	-2	0	474.929	3.306	40	5		JGBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N1CCC(C)CC1	ZINC000408603720	569970140	/nfs/dbraw/zinc/97/01/40/569970140.db2.gz	GXYOXRBASXXBFY-FNORWQNLSA-N	-2	0	458.471	3.002	40	5		JGBBRL
Cc1noc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1C	ZINC000019419344	556348250	/nfs/dbraw/zinc/34/82/50/556348250.db2.gz	XBUCWHYDIKCZRT-UHFFFAOYSA-N	-2	0	486.915	3.455	40	5		JGBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000408605543	569970858	/nfs/dbraw/zinc/97/08/58/569970858.db2.gz	LZRKNBQKAMFTKL-HWKANZROSA-N	-2	0	496.520	3.439	40	5		JGBBRL
CCCc1nc(SC(=Cc2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408632198	569983627	/nfs/dbraw/zinc/98/36/27/569983627.db2.gz	OQMIWOXELXJXOU-POHAHGRESA-N	-2	0	476.252	3.193	40	5		JGBBRL
Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1Sc1c(C)c([O-])c([N+](=O)[O-])c(C(=O)[O-])c1[N+](=O)[O-]	ZINC000100930607	569776271	/nfs/dbraw/zinc/77/62/71/569776271.db2.gz	CHNNTDQFLCGQGB-UHFFFAOYSA-N	-3	0	453.341	3.281	40	5		JGBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1cc(F)ccc1C	ZINC000408606262	569971123	/nfs/dbraw/zinc/97/11/23/569971123.db2.gz	PMJOIZFNHJMFCU-VMPITWQZSA-N	-2	0	470.413	3.440	40	5		JGBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N1CCc2ccccc21	ZINC000408608852	569971970	/nfs/dbraw/zinc/97/19/70/569971970.db2.gz	WZTXIOBFRVAPDB-CSKARUKUSA-N	-2	0	478.461	3.333	40	5		JGBBRL
O=C([O-])c1ccc(NC(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1C(=O)[O-]	ZINC000009720824	526377686	/nfs/dbraw/zinc/37/76/86/526377686.db2.gz	KQPGXZPURYJDFO-UHFFFAOYSA-N	-2	0	475.369	3.044	40	5		JGBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1cccc(F)c1	ZINC000408602345	569969491	/nfs/dbraw/zinc/96/94/91/569969491.db2.gz	BSQPGYNEODNDQW-SOFGYWHQSA-N	-2	0	456.386	3.132	40	5		JGBBRL
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])C(=O)[O-])o2)c1	ZINC000408634853	569985436	/nfs/dbraw/zinc/98/54/36/569985436.db2.gz	XHAJZFZUAQHSHU-UUASQNMZSA-N	-2	0	490.406	3.494	40	5		JGBBRL