smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N/C(=[NH+]/O)N1CC[NH+](CCO)CC1	52833079	572400463	/nfs/dbraw/zinc/40/04/63/572400463.db2.gz	ONCQSVVJZGBRHP-UHFFFAOYSA-N	2	2	188.231	-1.700	40	30		AAEBLP
NC(=[NH2+])NC(=[NH2+])Nc1cnccn1	31687694	169137610	/nfs/dbraw/zinc/13/76/10/169137610.db2.gz	XTMOGLAHOFMQNM-UHFFFAOYSA-N	2	2	179.187	-1.094	40	30		AAEBLP
NC(=[NH2+])NC(=[NH2+])Nc1nc[nH]n1	1714291	169138322	/nfs/dbraw/zinc/13/83/22/169138322.db2.gz	LPTZMLCROXWAPH-UHFFFAOYSA-N	2	2	168.164	-1.766	40	30		AAEBLP
[NH2+]=C(NCC[NH3+])C(=[NH2+])NCC[NH3+]	19366495	169141280	/nfs/dbraw/zinc/14/12/80/169141280.db2.gz	FUVQTSBSKCTRNS-UHFFFAOYSA-N	4	2	172.236	-2.172	40	30		AAEBLP
COC(=O)[C@@H]([NH3+])CCO[NH+]=C(N)N	33978582	1169070527	/nfs/dbraw/zinc/07/05/27/1169070527.db2.gz	LTYQWEVXKPLDNG-BYPYZUCNSA-N	2	2	190.203	-1.918	40	30		AAEBLP