smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O	ZINC000100035146	569751727	/nfs/dbraw/zinc/75/17/27/569751727.db2.gz	IXSPBTMMZDNZKP-UYUITFNMSA-N	2	2	485.629	0.752	40	10		JCCBLP
O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)N1CCOCC1	ZINC000100035158	569751734	/nfs/dbraw/zinc/75/17/34/569751734.db2.gz	JPWRKKWLLCDPGJ-HNSCLNPNSA-N	2	2	497.640	0.848	40	10		JCCBLP
COCCNC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O	ZINC000958317606	1070724021	/nfs/dbraw/zinc/72/40/21/1070724021.db2.gz	IXSPBTMMZDNZKP-SFTDATJTSA-N	2	2	485.629	0.752	40	10		JCCBLP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)N1CCOCC1	ZINC000958317608	1070724243	/nfs/dbraw/zinc/72/42/43/1070724243.db2.gz	JPWRKKWLLCDPGJ-VXKWHMMOSA-N	2	2	497.640	0.848	40	10		JCCBLP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)N1CC[NH2+]CC1	ZINC000958317613	1070724156	/nfs/dbraw/zinc/72/41/56/1070724156.db2.gz	KXHTZIMCDWVMCL-VXKWHMMOSA-N	3	2	496.656	0.421	40	10		JCCBLP