smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc(N2CCCCC2)nc1-c1cc(C)cc([N+](=O)[O-])c1O	ZINC000035188756	213012956	/nfs/dbraw/zinc/01/29/56/213012956.db2.gz	YFLNQIMICNJVDG-UHFFFAOYSA-N	0	2	333.413	4.031	40	5		EIBBLN
O=[N+]([O-])c1cc(/C=C(/c2nc3ccccc3[nH]2)C(F)(F)F)ccc1O	ZINC000059488915	214621356	/nfs/dbraw/zinc/62/13/56/214621356.db2.gz	YBOJMTTWRHRVAJ-YFHOEESVSA-N	0	2	349.268	4.280	40	5		EIBBLN
O=[N+]([O-])c1cccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1	ZINC000064874545	257690751	/nfs/dbraw/zinc/69/07/51/257690751.db2.gz	YOQCRHVVIBFRAX-UHFFFAOYSA-N	0	2	334.257	4.066	40	5		EIBBLN
Cc1cc(C(=O)CSc2ccc(Cl)cc2)c(O)c([N+](=O)[O-])c1	ZINC000006188643	564079267	/nfs/dbraw/zinc/07/92/67/564079267.db2.gz	GWZALXDWWGDZQA-UHFFFAOYSA-N	0	2	337.784	4.237	40	5		EIBBLN
Cc1sc(N2CCC[C@@H](C)C2)nc1-c1cc(C)cc([N+](=O)[O-])c1O	ZINC000035188760	213013563	/nfs/dbraw/zinc/01/35/63/213013563.db2.gz	YMTCBMMXADHEFY-SNVBAGLBSA-N	0	2	347.440	4.277	40	5		EIBBLN
Cc1ccc(NC(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000006400921	564085570	/nfs/dbraw/zinc/08/55/70/564085570.db2.gz	XOLUZFWUYLQLPS-UHFFFAOYSA-N	0	2	349.393	4.301	40	5		EIBBLN
CCOC(=O)c1c2cc(O)c([N+](=O)[O-])cc2oc1-c1ccc(F)cc1	ZINC000091692433	218049328	/nfs/dbraw/zinc/04/93/28/218049328.db2.gz	JDTVYJUIRIKAMA-UHFFFAOYSA-N	0	2	345.282	4.029	40	5		EIBBLN
Cc1sc(N2CCC[C@H](C)C2)nc1-c1cc(C)cc([N+](=O)[O-])c1O	ZINC000035188758	213013466	/nfs/dbraw/zinc/01/34/66/213013466.db2.gz	YMTCBMMXADHEFY-JTQLQIEISA-N	0	2	347.440	4.277	40	5		EIBBLN