smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH3+])C(=O)N[C@H](CO)[C@@H](O)[C@H]([NH3+])C=O	ZINC000001563097	560182287	/nfs/dbraw/zinc/18/22/87/560182287.db2.gz	KBSVAZCLQHOLKP-GBNDHIKLSA-N	2	2	219.241	-3.302	10	30	in-vitro	BAEELP
NC(=[NH2+])NN=Cc1ccnc(C(N)=[NH2+])n1	ZINC000013861136	181188517	/nfs/dbraw/zinc/18/85/17/181188517.db2.gz	NYQJOMOBQZPZLE-QLKAYGNNSA-N	2	2	206.213	-1.422	10	30		BAEELP
[NH3+]CCNC(NCC(=O)[O-])=[NH+]CC[NH3+]	ZINC000028240556	181392607	/nfs/dbraw/zinc/39/26/07/181392607.db2.gz	JYDJRUZTMNQQRJ-UHFFFAOYSA-N	2	2	203.246	-2.476	10	30		BAEELP
C#CC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1	ZINC000037822823	188152499	/nfs/dbraw/zinc/15/24/99/188152499.db2.gz	RQMNVNFHGKHBIV-SECBINFHSA-N	2	2	238.291	-2.034	10	30		BAEELP
C#CC[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1	ZINC000037822835	188152938	/nfs/dbraw/zinc/15/29/38/188152938.db2.gz	XEUCGDYQEUIJKK-UHFFFAOYSA-N	2	2	238.291	-2.161	10	30		BAEELP
C#CC[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1	ZINC000083354013	166206342	/nfs/dbraw/zinc/20/63/42/166206342.db2.gz	NLYOFVPUAASAOQ-JTQLQIEISA-N	2	2	225.292	-1.215	10	30		BAEELP
C=CCNC(=O)C[NH+]1CCN(CC[NH3+])CC1	ZINC000098125049	166365094	/nfs/dbraw/zinc/36/50/94/166365094.db2.gz	ZXEQKNAMIVEGCB-UHFFFAOYSA-N	2	2	226.324	-1.135	10	30		BAEELP