smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/[NH+]=C(/SCCc1c[nH]c[nH+]1)N(C)C	ZINC000028239916	187255634	/nfs/dbraw/zinc/25/56/34/187255634.db2.gz	OESRISPUBKZEHG-MDZDMXLPSA-N	2	2	212.322	1.233	1	30		BDEFLP
C/[NH+]=C(/SCCc1c[nH+]c[nH]1)N(C)C	ZINC000028239916	187255635	/nfs/dbraw/zinc/25/56/35/187255635.db2.gz	OESRISPUBKZEHG-MDZDMXLPSA-N	2	2	212.322	1.233	1	30		BDEFLP
C=CC[NH+]1CC[N+]2(CC1)C[C@H](C)O[C@@H](C)C2	ZINC000028961899	166358493	/nfs/dbraw/zinc/35/84/93/166358493.db2.gz	PUCGUMLSHPNNRL-STQMWFEESA-N	2	2	225.356	1.112	1	30		BDEFLP
[NH2+]=C(NCCCn1cc[nH+]c1)c1ccncc1	ZINC000049054116	188297550	/nfs/dbraw/zinc/29/75/50/188297550.db2.gz	QLGXCBVTFYFLRC-UHFFFAOYSA-N	2	2	229.287	1.074	1	30		BDEFLP
C=CC[NH+]1CC[N+]2(CC1)C[C@@H](C)O[C@@H](C)C2	ZINC000028961893	166359647	/nfs/dbraw/zinc/35/96/47/166359647.db2.gz	PUCGUMLSHPNNRL-BETUJISGSA-N	2	2	225.356	1.112	1	30		BDEFLP
C=CC[NH+]1CC[N+]2(CC1)C[C@@H](C)O[C@H](C)C2	ZINC000028961889	166358747	/nfs/dbraw/zinc/35/87/47/166358747.db2.gz	PUCGUMLSHPNNRL-CHWSQXEVSA-N	2	2	225.356	1.112	1	30		BDEFLP