smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[N@@H+](C)[C@H](CF)Cc1ccco1	95586018	166017805	/nfs/dbraw/zinc/01/78/05/166017805.db2.gz	XBKZEROHOXZUGT-JTQLQIEISA-N	1	2	195.237	1.725	1	30		ADEFLO
C#CC[N@H+](C)[C@H](CF)Cc1ccco1	95586018	166017808	/nfs/dbraw/zinc/01/78/08/166017808.db2.gz	XBKZEROHOXZUGT-JTQLQIEISA-N	1	2	195.237	1.725	1	30		ADEFLO
C#CCN([NH3+])C/C=C/c1ccccc1	26654730	166020196	/nfs/dbraw/zinc/02/01/96/166020196.db2.gz	TWLCPZOKHROBDM-RMKNXTFCSA-N	1	2	186.258	1.509	1	30		ADEFLO
C=C(C)n1cc[nH+]c1	28764753	166132196	/nfs/dbraw/zinc/13/21/96/166132196.db2.gz	JYNTXBHPLISXTA-UHFFFAOYSA-N	1	2	108.144	1.374	1	30		ADEFLO
CCC[n+]1ccccc1/C=N/O	40834308	167095585	/nfs/dbraw/zinc/09/55/85/167095585.db2.gz	JFVIQMYPSWFHIT-UHFFFAOYSA-O	1	2	165.216	1.192	1	30		ADEFLO
C[N+](C)(C)c1cccc(O)c1/C=N/O	103253208	171146666	/nfs/dbraw/zinc/14/66/66/171146666.db2.gz	DSIBCURZAKDKQO-UHFFFAOYSA-O	1	2	195.242	1.397	1	30		ADEFLO
C=C(CN(C)[NH3+])c1ccc(F)cc1	95617296	171197505	/nfs/dbraw/zinc/19/75/05/171197505.db2.gz	QXOVIXMFLUOVFU-UHFFFAOYSA-N	1	2	180.226	1.644	1	30		ADEFLO