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@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000027196794	372880908	/nfs/dbraw/zinc/88/09/08/372880908.db2.gz	LVNMAAGSAUGNIC-BQBZGAKWSA-N	-1	3	258.303	-1.221	10	30	endogenous,in-man	CAEEHM
N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000027196794	372880919	/nfs/dbraw/zinc/88/09/19/372880919.db2.gz	LVNMAAGSAUGNIC-BQBZGAKWSA-N	-1	3	258.303	-1.221	10	30	endogenous,in-man	CAEEHM
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2O[C@H]21	ZINC000034497957	372999661	/nfs/dbraw/zinc/99/96/61/372999661.db2.gz	WDIGUIIOGAEQHN-KQYNXXCUSA-N	-1	3	250.214	-1.223	10	30	in-vitro	CAEEHM
Cn1c2[n-]c(C=NNC(N)=S)nc2c(=O)[nH]c1=O	ZINC000584658899	373661352	/nfs/dbraw/zinc/66/13/52/373661352.db2.gz	DDQRWAHEIKBXKG-WTDSWWLTSA-N	-1	3	267.274	-1.471	10	30		CAEEHM
O=C[C@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O	ZINC000005893441	560203735	/nfs/dbraw/zinc/20/37/35/560203735.db2.gz	UXDAQDIRNNXQHZ-KQYNXXCUSA-N	-1	3	266.213	-2.062	10	30	in-vitro	CAEEHM
N#CCCC[C@H](N)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000691612234	976376053	/nfs/dbraw/zinc/37/60/53/976376053.db2.gz	BOZDQRYTETYJMU-IUCAKERBSA-N	-1	3	282.300	-1.191	10	30		CAEEHM
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000050027460	574415040	/nfs/dbraw/zinc/41/50/40/574415040.db2.gz	SIFXMYAHXJGAFC-PHDIDXHHSA-N	-1	3	289.292	-2.589	10	30	endogenous,in-vitro	CAEEHM
N#CCCC[C@H](N)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000691612230	976375118	/nfs/dbraw/zinc/37/51/18/976375118.db2.gz	BOZDQRYTETYJMU-DTWKUNHWSA-N	-1	3	282.300	-1.191	10	30		CAEEHM
N#CCCC[C@@H](N)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000691612237	976375431	/nfs/dbraw/zinc/37/54/31/976375431.db2.gz	BOZDQRYTETYJMU-RKDXNWHRSA-N	-1	3	282.300	-1.191	10	30		CAEEHM
N#CCCC[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000691612229	976374720	/nfs/dbraw/zinc/37/47/20/976374720.db2.gz	BOZDQRYTETYJMU-BDAKNGLRSA-N	-1	3	282.300	-1.191	10	30		CAEEHM
C#CCN(C)CCCNC(=O)N1CC(O)(C(=O)[O-])C1	ZINC000706517723	977348169	/nfs/dbraw/zinc/34/81/69/977348169.db2.gz	PFKAYCUAMKJJIF-UHFFFAOYSA-N	-1	3	269.301	-1.218	10	30		CAEEHM