smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)C(=CNCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C(=O)N(C)C1=O	ZINC000002124019	556574766	/nfs/dbraw/zinc/57/47/66/556574766.db2.gz	WMXROZAIXOGVDV-HNNXBMFYSA-N	-1	0	427.417	-0.196	50	10	biogenic	IBCARM
CN1C(=O)C(=CNCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C(=O)N(C)C1=O	ZINC000002124021	556574865	/nfs/dbraw/zinc/57/48/65/556574865.db2.gz	WMXROZAIXOGVDV-OAHLLOKOSA-N	-1	0	427.417	-0.196	50	10	biogenic	IBCARM
Cn1c([O-])c([C@@H]2c3ccc(O)c(O)c3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	ZINC000002295113	569268149	/nfs/dbraw/zinc/26/81/49/569268149.db2.gz	NBCASSDIRCLJDP-VIFPVBQESA-N	-1	0	430.373	-0.601	50	10		IBCARM
Cn1c([O-])c([C@H]2c3ccc(O)c(O)c3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	ZINC000002295114	569268155	/nfs/dbraw/zinc/26/81/55/569268155.db2.gz	NBCASSDIRCLJDP-SECBINFHSA-N	-1	0	430.373	-0.601	50	10		IBCARM
CCCCCCN1C(=O)[N-]C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C1=O	ZINC000009160514	569508627	/nfs/dbraw/zinc/50/86/27/569508627.db2.gz	WEFPTIWRHLLHHU-KHPPLWFESA-N	-1	0	446.468	-0.570	50	10		IBCARM
Cc1c(-c2cc3nnc(C(N)=C4C(N)=NNC4=O)c(=O)n3[n-]2)c(=O)n(-c2ccccc2)n1C	ZINC000096602648	556838397	/nfs/dbraw/zinc/83/83/97/556838397.db2.gz	FCOIDMMQKOFYNQ-PFONDFGASA-N	-1	0	446.431	-0.633	50	10		IBCARM
Cc1c(-c2cc3nnc(C(N)=C4C(N)=NNC4=O)c(=O)n3[n-]2)c(=O)n(-c2ccccc2)n1C	ZINC000230064960	569419872	/nfs/dbraw/zinc/41/98/72/569419872.db2.gz	FCOIDMMQKOFYNQ-CCEZHUSRSA-N	-1	0	446.431	-0.633	50	10		IBCARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CN[C@@H]3[C@H](O)O[C@H](CO)[C@H](O)[C@H]3O)C2=O)cc1	ZINC000253487774	569283019	/nfs/dbraw/zinc/28/30/19/569283019.db2.gz	QBDUZKIFDIEYBR-NZOMSPKZSA-N	-1	0	435.433	-0.494	50	10		IBCARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CN[C@@H]3[C@H](O)O[C@H](CO)[C@H](O)[C@@H]3O)C2=O)cc1	ZINC000253487775	569283045	/nfs/dbraw/zinc/28/30/45/569283045.db2.gz	QBDUZKIFDIEYBR-PWULRWRZSA-N	-1	0	435.433	-0.494	50	10		IBCARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CN[C@@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)C2=O)cc1	ZINC000253487776	569283075	/nfs/dbraw/zinc/28/30/75/569283075.db2.gz	QBDUZKIFDIEYBR-SSRJYMNBSA-N	-1	0	435.433	-0.494	50	10		IBCARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CN[C@@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@H]3O)C2=O)cc1	ZINC000253487777	569283077	/nfs/dbraw/zinc/28/30/77/569283077.db2.gz	QBDUZKIFDIEYBR-ULLCQJDASA-N	-1	0	435.433	-0.494	50	10		IBCARM