smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O	ZINC000872255875	656321773	/nfs/dbraw/zinc/32/17/73/656321773.db2.gz	NOMNZZUVDSADSQ-KFWWJZLASA-N	2	0	396.285	1.830	20	10		GDCDRP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(S(N)(=O)=O)s3)cc2)CC1	ZINC000883283662	657279464	/nfs/dbraw/zinc/27/94/64/657279464.db2.gz	NNEWZTKDGZNNKY-UHFFFAOYSA-N	2	0	380.539	1.437	20	10		GDCDRP
O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)N1CC[NH2+]CC1	ZINC000843047317	655387300	/nfs/dbraw/zinc/38/73/00/655387300.db2.gz	QUDJZHKCUYSDJM-CYBMUJFWSA-N	2	0	382.302	1.799	20	10		GDCDRP
COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1O	ZINC000843047901	655387331	/nfs/dbraw/zinc/38/73/31/655387331.db2.gz	BALMUDDYBCVLLN-LLVKDONJSA-N	2	0	386.290	1.450	20	10		GDCDRP
O=C([C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)N1CC[NH2+]CC1	ZINC000843047318	655387337	/nfs/dbraw/zinc/38/73/37/655387337.db2.gz	QUDJZHKCUYSDJM-ZDUSSCGKSA-N	2	0	382.302	1.799	20	10		GDCDRP
O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(Br)ccc2O)CC1	ZINC000863642428	655878032	/nfs/dbraw/zinc/87/80/32/655878032.db2.gz	ODVXLUAGLMSKNI-ZBFHGGJFSA-N	2	0	396.285	1.912	20	10		GDCDRP
C[NH+]1CCN(c2ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc2)CC1	ZINC000850364863	655553204	/nfs/dbraw/zinc/55/32/04/655553204.db2.gz	WVIGSBJHIIUXKR-UHFFFAOYSA-N	2	0	379.448	1.505	20	10		GDCDRP
COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1-c1nn[nH]n1	ZINC000826203018	608252018	/nfs/dbraw/zinc/25/20/18/608252018.db2.gz	WIJALLPHYSVXIT-UHFFFAOYSA-N	2	0	393.495	1.917	20	10		GDCDRP
COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1O	ZINC000843047902	655387394	/nfs/dbraw/zinc/38/73/94/655387394.db2.gz	BALMUDDYBCVLLN-NSHDSACASA-N	2	0	386.290	1.450	20	10		GDCDRP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(Br)cc(OC)c1O)C2	ZINC000903978858	659392181	/nfs/dbraw/zinc/39/21/81/659392181.db2.gz	NHXOBEAGGFKXHT-PPHDSNJXSA-N	2	0	399.285	1.876	20	10		GDCDRP
O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1	ZINC000872254361	656321766	/nfs/dbraw/zinc/32/17/66/656321766.db2.gz	AXCGBECSNSCWJQ-NFAWXSAZSA-N	2	0	382.258	1.522	20	10		GDCDRP
O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1	ZINC000872254360	656321681	/nfs/dbraw/zinc/32/16/81/656321681.db2.gz	AXCGBECSNSCWJQ-GUTXKFCHSA-N	2	0	382.258	1.522	20	10		GDCDRP
Cc1cc(Br)cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O	ZINC000872255877	656321727	/nfs/dbraw/zinc/32/17/27/656321727.db2.gz	NOMNZZUVDSADSQ-ZNMIVQPWSA-N	2	0	396.285	1.830	20	10		GDCDRP