smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Cl)cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O	ZINC000184690315	510465378	/nfs/dbraw/zinc/46/53/78/510465378.db2.gz	OBKRQXLNWHDQEO-CYBMUJFWSA-N	2	0	356.894	2.579	10	10		FFCERP
C[C@H](CCC[NH3+])Nc1c(O)c(=O)c(N[C@H](C)CCC[NH3+])c2[nH]cccc1-2	ZINC000100463892	203930350	/nfs/dbraw/zinc/93/03/50/203930350.db2.gz	YMLLEEOODVELEN-CHWSQXEVSA-N	2	0	361.490	2.725	10	10		FFCERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Br)ccc2O)CC1	ZINC000121077582	509122580	/nfs/dbraw/zinc/12/25/80/509122580.db2.gz	LLJAFQBAVPXANF-ZDUSSCGKSA-N	2	0	371.319	2.679	10	10		FFCERP
C[C@@H](CCC[NH3+])Nc1c(O)c(=O)c(N[C@@H](C)CCC[NH3+])c2[nH]cccc1-2	ZINC000100463884	222245691	/nfs/dbraw/zinc/24/56/91/222245691.db2.gz	YMLLEEOODVELEN-STQMWFEESA-N	2	0	361.490	2.725	10	10		FFCERP
COc1cc(Cl)cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O	ZINC000184690298	510464146	/nfs/dbraw/zinc/46/41/46/510464146.db2.gz	OBKRQXLNWHDQEO-ZDUSSCGKSA-N	2	0	356.894	2.579	10	10		FFCERP
C[C@H](CCC[NH3+])Nc1c(O)c(=O)c(N[C@@H](C)CCC[NH3+])c2[nH]cccc1-2	ZINC000100463887	222245787	/nfs/dbraw/zinc/24/57/87/222245787.db2.gz	YMLLEEOODVELEN-OLZOCXBDSA-N	2	0	361.490	2.725	10	10		FFCERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Br)ccc2O)CC1	ZINC000121077731	509122867	/nfs/dbraw/zinc/12/28/67/509122867.db2.gz	LLJAFQBAVPXANF-CYBMUJFWSA-N	2	0	371.319	2.679	10	10		FFCERP
CC[NH+](CC)CCN(CC[NH+](CC)CC)c1cc(OC)c(OC)cc1N	ZINC000032240634	506235096	/nfs/dbraw/zinc/23/50/96/506235096.db2.gz	KHUJLEUFLPXJDP-UHFFFAOYSA-N	2	0	366.550	2.776	10	10		FFCERP
C[C@H](CCC[NH3+])Nc1c2[nH]cccc-2c(N[C@@H](C)CCC[NH3+])c(O)c1=O	ZINC000100463889	210244098	/nfs/dbraw/zinc/24/40/98/210244098.db2.gz	YMLLEEOODVELEN-QWHCGFSZSA-N	2	0	361.490	2.725	10	10		FFCERP