smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(C[C@H](O)COc3ccccc3)c2c(=O)n(C)c1=O	ZINC000009011782	554864339	/nfs/dbraw/zinc/86/43/39/554864339.db2.gz	WXZIYBJKYCEGSW-JTQLQIEISA-N	-1	1	484.429	-1.152	50	30		JAEAMM
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(C[C@@H](O)COc3ccccc3)c2c(=O)n(C)c1=O	ZINC000009014359	527121463	/nfs/dbraw/zinc/12/14/63/527121463.db2.gz	WXZIYBJKYCEGSW-SNVBAGLBSA-N	-1	1	484.429	-1.152	50	30		JAEAMM
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(C[C@H](O)COc3ccccc3)c2c(=O)[nH]c1=O	ZINC000009110964	527123479	/nfs/dbraw/zinc/12/34/79/527123479.db2.gz	ZWAGEJTYYHXCFH-VIFPVBQESA-N	-1	1	470.402	-2.003	50	30		JAEAMM
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(C[C@@H](O)COc3ccccc3)c2c(=O)[nH]c1=O	ZINC000009110965	527123688	/nfs/dbraw/zinc/12/36/88/527123688.db2.gz	ZWAGEJTYYHXCFH-SECBINFHSA-N	-1	1	470.402	-2.003	50	30		JAEAMM
COc1ccc(CCn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000009292093	523986124	/nfs/dbraw/zinc/98/61/24/523986124.db2.gz	NAKSFZFREFFNSZ-UHFFFAOYSA-N	-1	1	454.403	-1.192	50	30		JAEAMM
Cc1cccc(OC[C@H](O)Cn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)[nH]c(=O)n3C)c1	ZINC000009292556	524765997	/nfs/dbraw/zinc/76/59/97/524765997.db2.gz	KILSVWGJWGZSSX-SNVBAGLBSA-N	-1	1	484.429	-1.694	50	30		JAEAMM
Cc1cccc(OC[C@@H](O)Cn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)[nH]c(=O)n3C)c1	ZINC000009292557	524758050	/nfs/dbraw/zinc/75/80/50/524758050.db2.gz	KILSVWGJWGZSSX-JTQLQIEISA-N	-1	1	484.429	-1.694	50	30		JAEAMM
Cc1cccc(OC[C@H](O)Cn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)n(C)c(=O)n3C)c1	ZINC000009353763	524765344	/nfs/dbraw/zinc/76/53/44/524765344.db2.gz	ITUIEUHEQMJMMA-LLVKDONJSA-N	-1	1	498.456	-1.684	50	30		JAEAMM
Cc1cccc(OC[C@@H](O)Cn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)n(C)c(=O)n3C)c1	ZINC000009353765	524759646	/nfs/dbraw/zinc/75/96/46/524759646.db2.gz	ITUIEUHEQMJMMA-NSHDSACASA-N	-1	1	498.456	-1.684	50	30		JAEAMM
CC(C)OC[C@H](O)Cn1c([N-]N=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000009849198	519774408	/nfs/dbraw/zinc/77/44/08/519774408.db2.gz	NVHMRWFYWWNQMJ-SNVBAGLBSA-N	-1	1	478.466	-1.962	50	30		JAEAMM
CC(C)OC[C@@H](O)Cn1c([N-]N=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000009849199	519772392	/nfs/dbraw/zinc/77/23/92/519772392.db2.gz	NVHMRWFYWWNQMJ-JTQLQIEISA-N	-1	1	478.466	-1.962	50	30		JAEAMM
C=CCOC[C@@H](O)Cn1c([N-]N=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000009849200	124202194	/nfs/dbraw/zinc/20/21/94/124202194.db2.gz	HPUSDMLXVDWTDT-JTQLQIEISA-N	-1	1	476.450	-2.185	50	30		JAEAMM
C=CCOC[C@H](O)Cn1c([N-]N=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000009849201	518997068	/nfs/dbraw/zinc/99/70/68/518997068.db2.gz	HPUSDMLXVDWTDT-SNVBAGLBSA-N	-1	1	476.450	-2.185	50	30		JAEAMM
CCc1cccc(OC[C@H](O)Cn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)[nH]c(=O)n3C)c1	ZINC000010274047	521783087	/nfs/dbraw/zinc/78/30/87/521783087.db2.gz	KBKXBPTWFGMHSP-LLVKDONJSA-N	-1	1	498.456	-1.441	50	30		JAEAMM
CCc1cccc(OC[C@@H](O)Cn2c([N-]N=C3C(=O)NC(=O)NC3=O)nc3c2c(=O)[nH]c(=O)n3C)c1	ZINC000010274049	521780451	/nfs/dbraw/zinc/78/04/51/521780451.db2.gz	KBKXBPTWFGMHSP-NSHDSACASA-N	-1	1	498.456	-1.441	50	30		JAEAMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000013455558	555401322	/nfs/dbraw/zinc/40/13/22/555401322.db2.gz	RGNVSYKVCGAEHK-GUBZILKMSA-N	-1	1	490.474	-5.879	50	30	in-vivo	JAEAMM
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](N)CO)C(=O)NCC(=O)[O-]	ZINC000025725868	556231476	/nfs/dbraw/zinc/23/14/76/556231476.db2.gz	UVLWLKCNNYTXDT-UTLUCORTSA-N	-1	1	490.474	-5.879	50	30		JAEAMM