smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1nnc(NCCCn2cc[nH+]c2)c2cc3ccccc3cc12	ZINC000029134206	202181754	/nfs/dbraw/zinc/18/17/54/202181754.db2.gz	DMWOFOBZGBIPJU-UHFFFAOYSA-N	1	2	337.814	4.135	1	5		EIBFLO
C[C@@H]1[NH2+][C@H](c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=S	ZINC000029125389	202181663	/nfs/dbraw/zinc/18/16/63/202181663.db2.gz	GIJVFXLLTGATJD-BJOHPYRUSA-N	1	2	347.827	4.069	1	5		EIBFLO
OC[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2[nH+]c2ccccc21	ZINC000003826951	210079032	/nfs/dbraw/zinc/07/90/32/210079032.db2.gz	RVEUDTXJLDUWSX-QGZVFWFLSA-N	1	2	343.382	4.241	1	5		EIBFLO
c1ccc(N2CCN(c3nc4ccccc4c4ccccc43)CC2)[nH+]c1	ZINC000103264604	219279096	/nfs/dbraw/zinc/27/90/96/219279096.db2.gz	PJKZWTKAGJRJFY-UHFFFAOYSA-N	1	2	340.430	4.110	1	5		EIBFLO
Cc1cc(Nc2ccc(C)c([N+](=O)[O-])c2)c2c3nc[nH]c3ccc2[nH+]1	ZINC000039214821	213231959	/nfs/dbraw/zinc/23/19/59/213231959.db2.gz	XKYZTTYVHBBUEK-UHFFFAOYSA-N	1	2	333.351	4.380	1	5		EIBFLO
Cc1cc2oc3ccc(NCCCn4cc[nH+]c4)cc3c(=O)c2cc1C	ZINC000012477126	211391775	/nfs/dbraw/zinc/39/17/75/211391775.db2.gz	XKPCVIBYVCCYDX-UHFFFAOYSA-N	1	2	347.418	4.262	3	5		EIBFLO
OC[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2[nH+]c2ccccc21	ZINC000011689465	211234216	/nfs/dbraw/zinc/23/42/16/211234216.db2.gz	RVEUDTXJLDUWSX-KRWDZBQOSA-N	1	2	343.382	4.241	1	5		EIBFLO