smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CCn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000002413742	220532307	/nfs/dbraw/zinc/53/23/07/220532307.db2.gz	HBVSEXPCXIQVHE-UHFFFAOYSA-N	-1	0	390.360	-1.397	50	30		GAEARM
O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O	ZINC000002573773	206421986	/nfs/dbraw/zinc/42/19/86/206421986.db2.gz	NWHAVGHJSKQCHH-VIFPVBQESA-N	-1	0	388.354	-1.055	50	30	in-vitro	GAEARM
C[NH+](CCCn1cc(C#N)c(=O)[n-]c1=O)CCCn1cc(C#N)c(=O)[n-]c1=O	ZINC000008431352	1075490776	/nfs/dbraw/zinc/49/07/76/1075490776.db2.gz	KQTVQHNOTRPZLX-UHFFFAOYSA-N	-1	0	385.384	-1.458	50	30		GAEARM
Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@H](CO)O[C@@H]2n2ncc(=O)[n-]c2=O)cc1	ZINC000009090515	1074862266	/nfs/dbraw/zinc/86/22/66/1074862266.db2.gz	NZRUIDPKWIIQOK-ASEORRQLSA-N	-1	0	399.381	-1.735	50	30		GAEARM
CC(C)Cn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009292742	519487702	/nfs/dbraw/zinc/48/77/02/519487702.db2.gz	RMNUENYMZFKPAH-UHFFFAOYSA-N	-1	0	376.333	-1.787	50	30		GAEARM
Cn1c2nc(N=Nc3c([O-])n(C)c(=O)n(C)c3=O)n(CCO)c2c(=O)[nH]c1=O	ZINC000009849194	206373526	/nfs/dbraw/zinc/37/35/26/206373526.db2.gz	ZCBSXPROWQSDJC-UHFFFAOYSA-N	-1	0	392.332	-2.766	50	30		GAEARM
CC(C)n1c(N=Nc2c([O-])n(C)c(=O)n(C)c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009849202	212235082	/nfs/dbraw/zinc/23/50/82/212235082.db2.gz	VZMZVPCEQJTGNF-UHFFFAOYSA-N	-1	0	390.360	-1.178	50	30		GAEARM
CCCCn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000010272097	570262450	/nfs/dbraw/zinc/26/24/50/570262450.db2.gz	VYWGMRPTLOWETL-UHFFFAOYSA-N	-1	0	376.333	-1.643	50	30		GAEARM
Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@@H]2n2ncc(=O)[n-]c2=O)cc1	ZINC000015906812	570908311	/nfs/dbraw/zinc/90/83/11/570908311.db2.gz	NZRUIDPKWIIQOK-ZRJCITRHSA-N	-1	0	399.381	-1.735	50	30		GAEARM
N#CCc1c(C#N)c(N)nc(N2CCN(c3n[nH]c(=O)[n-]c3=O)CC2)c1C#N	ZINC000025387097	570412805	/nfs/dbraw/zinc/41/28/05/570412805.db2.gz	MDQBZIXSVWYJLA-UHFFFAOYSA-N	-1	0	378.356	-1.429	50	30		GAEARM
O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O	ZINC000072400004	526423288	/nfs/dbraw/zinc/42/32/88/526423288.db2.gz	NWHAVGHJSKQCHH-SECBINFHSA-N	-1	0	388.354	-1.055	50	30	in-vitro	GAEARM
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C#CC[N-]C(=O)C(F)(F)F	ZINC000082013655	527541049	/nfs/dbraw/zinc/54/10/49/527541049.db2.gz	OKLUSVKQOCPUNW-IVZWLZJFSA-N	-1	0	376.291	-1.504	50	30		GAEARM
CC(=O)N[C@H](C=O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@@H]1O)[C@H](O)[C@H](O)CO	ZINC000100656514	1074758679	/nfs/dbraw/zinc/75/86/79/1074758679.db2.gz	AALORNCJXUQNQW-CJRYBXIDSA-N	-1	0	379.318	-4.164	50	30		GAEARM
Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2ncc(=O)[n-]c2=O)cc1	ZINC000102138762	570841732	/nfs/dbraw/zinc/84/17/32/570841732.db2.gz	NZRUIDPKWIIQOK-IGHBBLSQSA-N	-1	0	399.381	-1.735	50	30		GAEARM
Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2ncc(=O)[n-]c2=O)cc1	ZINC000102138764	570841889	/nfs/dbraw/zinc/84/18/89/570841889.db2.gz	NZRUIDPKWIIQOK-FMKGYKFTSA-N	-1	0	399.381	-1.735	50	30		GAEARM
O=C([N-]CC#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F	ZINC000117826904	570292335	/nfs/dbraw/zinc/29/23/35/570292335.db2.gz	HCKMZBZCHQQZRJ-IVZWLZJFSA-N	-1	0	377.275	-1.793	50	30		GAEARM
CC(=O)N[C@H](C=O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CO	ZINC000255961553	570757132	/nfs/dbraw/zinc/75/71/32/570757132.db2.gz	AALORNCJXUQNQW-DWTAVYPPSA-N	-1	0	379.318	-4.164	50	30		GAEARM
CC(=O)N[C@H](C=O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@@H]1O)[C@@H](O)[C@H](O)CO	ZINC000255961554	570757298	/nfs/dbraw/zinc/75/72/98/570757298.db2.gz	AALORNCJXUQNQW-IHAYDGJGSA-N	-1	0	379.318	-4.164	50	30		GAEARM
CC(=O)N[C@H](C=O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@@H]1O)[C@H](O)[C@@H](O)CO	ZINC000255961555	570757378	/nfs/dbraw/zinc/75/73/78/570757378.db2.gz	AALORNCJXUQNQW-RKWSDKBRSA-N	-1	0	379.318	-4.164	50	30		GAEARM
CC(=O)N[C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@@H]1O)[C@H](O)CO	ZINC000257355263	570785528	/nfs/dbraw/zinc/78/55/28/570785528.db2.gz	ZQQORYRYZAOOQC-FFGITTSTSA-N	-1	0	379.318	-4.164	50	30		GAEARM
CC(=O)N[C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@@H]1O)[C@@H](O)CO	ZINC000257355264	570785494	/nfs/dbraw/zinc/78/54/94/570785494.db2.gz	ZQQORYRYZAOOQC-PBEIJECPSA-N	-1	0	379.318	-4.164	50	30		GAEARM
CC(=O)N[C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O)[C@@H](O)CO	ZINC000257355265	570785398	/nfs/dbraw/zinc/78/53/98/570785398.db2.gz	ZQQORYRYZAOOQC-RDMKVUJOSA-N	-1	0	379.318	-4.164	50	30		GAEARM
CC(=O)N[C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O)[C@H](O)CO	ZINC000257355266	570785465	/nfs/dbraw/zinc/78/54/65/570785465.db2.gz	ZQQORYRYZAOOQC-YWBJOKQFSA-N	-1	0	379.318	-4.164	50	30		GAEARM