smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C1	ZINC000067805296	205260699	/nfs/dbraw/zinc/26/06/99/205260699.db2.gz	ZMACSCVDZLFTBW-NQIIRXRSSA-N	2	2	380.492	1.603	50	10		GDCALP
CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])C[N@@H+]1C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067643146	205253327	/nfs/dbraw/zinc/25/33/27/205253327.db2.gz	HVNJPAROUXQZMW-YJBOKZPZSA-N	2	2	388.512	1.654	50	10		GDCALP
CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])C[N@H+]1C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067643146	205253329	/nfs/dbraw/zinc/25/33/29/205253329.db2.gz	HVNJPAROUXQZMW-YJBOKZPZSA-N	2	2	388.512	1.654	50	10		GDCALP
COC(=O)CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)CC[C@H]1[NH+]1CCOCC1	ZINC000014980865	210138548	/nfs/dbraw/zinc/13/85/48/210138548.db2.gz	WGOAUQICISFOOQ-QFBILLFUSA-N	2	2	392.496	1.877	50	10		GDCALP
COC(=O)CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CC[C@H]1[NH+]1CCOCC1	ZINC000014980865	210138544	/nfs/dbraw/zinc/13/85/44/210138544.db2.gz	WGOAUQICISFOOQ-QFBILLFUSA-N	2	2	392.496	1.877	50	10		GDCALP
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067883512	211026831	/nfs/dbraw/zinc/02/68/31/211026831.db2.gz	HVNJPAROUXQZMW-QAPCUYQASA-N	2	2	388.512	1.654	50	10		GDCALP
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+]1C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067883512	211026834	/nfs/dbraw/zinc/02/68/34/211026834.db2.gz	HVNJPAROUXQZMW-QAPCUYQASA-N	2	2	388.512	1.654	50	10		GDCALP
OCC[NH+]1CCN(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)CC1	ZINC000019868440	210304070	/nfs/dbraw/zinc/30/40/70/210304070.db2.gz	ZZBFQHZBZKUMCJ-UHFFFAOYSA-N	2	2	398.345	1.729	50	10		GDCALP