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(NO)NN=Cc1cccc(C(N)=[NH2+])c1	ZINC000001534534	181199975	/nfs/dbraw/zinc/19/99/75/181199975.db2.gz	DELYERRFGRAFKU-WLRTZDKTSA-N	1	1	220.236	-0.192	1	30		BBEFMO
CC(=O)N(C)CC#CC[N@H+]1CCC[C@H]1CO	ZINC000013820888	188225399	/nfs/dbraw/zinc/22/53/99/188225399.db2.gz	RMFIYVIFYFWCLU-LBPRGKRZSA-N	1	1	224.304	-0.075	1	30		BBEFMO
CC(=O)N(C)CC#CC[N@H+]1CCC[C@@H]1CO	ZINC000013820890	188225539	/nfs/dbraw/zinc/22/55/39/188225539.db2.gz	RMFIYVIFYFWCLU-GFCCVEGCSA-N	1	1	224.304	-0.075	1	30		BBEFMO
C[N+](C)(C)[C@@H](CCCN/C(N)=[NH+]/O)C(=O)[O-]	ZINC000026380869	717114258	/nfs/dbraw/zinc/11/42/58/717114258.db2.gz	JGIQNRVSEVVECF-ZETCQYMHSA-O	1	1	233.292	-0.781	1	30		BBEFMO
C=CCNC(=[NH2+])NCCC[C@H](N)C(C)=O	ZINC000027300394	166349330	/nfs/dbraw/zinc/34/93/30/166349330.db2.gz	SQSAXRFSMUPPDO-VIFPVBQESA-N	1	1	212.297	-0.227	1	30		BBEFMO
C=CCNC(=[NH2+])NCCC[C@@H](N)C(C)=O	ZINC000027300398	166348301	/nfs/dbraw/zinc/34/83/01/166348301.db2.gz	SQSAXRFSMUPPDO-SECBINFHSA-N	1	1	212.297	-0.227	1	30		BBEFMO
N#Cc1ccc(C[N@@H+]2C[C@H](O)[C@H](O)[C@H]2CO)cc1	ZINC000040845640	181105806	/nfs/dbraw/zinc/10/58/06/181105806.db2.gz	AKXFVVPSUBXZGJ-FRRDWIJNSA-N	1	1	248.282	-0.543	1	30		BBEFMO
C[NH+]1CCN(c2nc(C(N)=O)cnc2C#N)CC1	ZINC000066078101	132390599	/nfs/dbraw/zinc/39/05/99/132390599.db2.gz	LGGMXYFMTHTIBK-UHFFFAOYSA-N	1	1	246.274	-0.801	1	30		BBEFMO