smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=[NH+]NC(N)=[NH2+])c1cccc(N)c1	17424550	166050380	/nfs/dbraw/zinc/05/03/80/166050380.db2.gz	RPGUACDFIMVOHP-MLPAPPSSSA-N	2	2	191.238	0.266	40	30		ACEBLP
CC(=[NH+]NC(N)=[NH2+])c1ccc(N)cc1	17325057	166052018	/nfs/dbraw/zinc/05/20/18/166052018.db2.gz	JHWLAGPOJGZHIZ-MLPAPPSSSA-N	2	2	191.238	0.266	40	30		ACEBLP
C=CC[N@H+]1CCC=C1C[NH3+]	100011349	166175197	/nfs/dbraw/zinc/17/51/97/166175197.db2.gz	MZBGGZQXGJSFPH-UHFFFAOYSA-N	2	2	138.214	0.721	40	30		ACEBLP
C=CC[N@@H+]1CCC=C1C[NH3+]	100011349	166175199	/nfs/dbraw/zinc/17/51/99/166175199.db2.gz	MZBGGZQXGJSFPH-UHFFFAOYSA-N	2	2	138.214	0.721	40	30		ACEBLP
C=CC[NH2+]CC[NH2+]CC=C	19366519	166187920	/nfs/dbraw/zinc/18/79/20/166187920.db2.gz	KLGOMEZYSOZCCB-UHFFFAOYSA-N	2	2	140.230	0.538	40	30		ACEBLP
C=CCn1cc[nH+]c1CC[NH3+]	72210053	166210405	/nfs/dbraw/zinc/21/04/05/166210405.db2.gz	MKBBOMCAXKGTFF-UHFFFAOYSA-N	2	2	151.213	0.570	40	30		ACEBLP
N#CCCC[N@@H+]1CCC[NH2+]CC1	19279432	171171873	/nfs/dbraw/zinc/17/18/73/171171873.db2.gz	KOZGGZGHCFKXPP-UHFFFAOYSA-N	2	2	167.256	0.585	40	30		ACEBLP
N#CCCC[N@H+]1CCC[NH2+]CC1	19279432	171171875	/nfs/dbraw/zinc/17/18/75/171171875.db2.gz	KOZGGZGHCFKXPP-UHFFFAOYSA-N	2	2	167.256	0.585	40	30		ACEBLP
C#CC[N@@H+](C)C1CC[NH+](C)CC1	41635661	343235176	/nfs/dbraw/zinc/23/51/76/343235176.db2.gz	OFHPIVGQCNWYRN-UHFFFAOYSA-N	2	2	166.268	0.646	40	30		ACEBLP
C#CC[N@H+](C)C1CC[NH+](C)CC1	41635661	343235179	/nfs/dbraw/zinc/23/51/79/343235179.db2.gz	OFHPIVGQCNWYRN-UHFFFAOYSA-N	2	2	166.268	0.646	40	30		ACEBLP
C[N@H+](CC[NH3+])Cc1ccc(C#N)cc1	54416930	343323601	/nfs/dbraw/zinc/32/36/01/343323601.db2.gz	FPYJNJQHQXMPBC-UHFFFAOYSA-N	2	2	189.262	0.949	40	30		ACEBLP
C[N@@H+](CC[NH3+])Cc1ccc(C#N)cc1	54416930	343323602	/nfs/dbraw/zinc/32/36/02/343323602.db2.gz	FPYJNJQHQXMPBC-UHFFFAOYSA-N	2	2	189.262	0.949	40	30		ACEBLP
C[N@H+](CC[NH3+])Cc1cccc(C#N)c1	54416916	343323722	/nfs/dbraw/zinc/32/37/22/343323722.db2.gz	PDLQJIVJNTZROY-UHFFFAOYSA-N	2	2	189.262	0.949	40	30		ACEBLP
C[N@@H+](CC[NH3+])Cc1cccc(C#N)c1	54416916	343323724	/nfs/dbraw/zinc/32/37/24/343323724.db2.gz	PDLQJIVJNTZROY-UHFFFAOYSA-N	2	2	189.262	0.949	40	30		ACEBLP
C=CCC[NH2+]CC[NH+](C)C	70591476	343499191	/nfs/dbraw/zinc/49/91/91/343499191.db2.gz	PDLWSHNUSPMABE-UHFFFAOYSA-N	2	2	142.246	0.714	40	30		ACEBLP
C[NH+](C)CC[n+]1ccc(/C=N/O)cc1	100934754	343721167	/nfs/dbraw/zinc/72/11/67/343721167.db2.gz	JUOUHLJTXUKSQL-UHFFFAOYSA-O	2	2	194.258	0.344	40	30		ACEBLP