smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CN4CC[NH+](C)CC4)cc2C3=O)CC1	ZINC000029222183	562007320	/nfs/dbraw/zinc/00/73/20/562007320.db2.gz	BHRIOFJONXOQQT-UHFFFAOYSA-N	2	2	518.618	0.834	1	10		KCCFLP
C[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCNC(=O)[C@H](C)[NH3+])ccc1C2=O	ZINC000040391074	562073587	/nfs/dbraw/zinc/07/35/87/562073587.db2.gz	SZSWGVXMRUNYRZ-KBPBESRZSA-N	2	2	522.562	0.046	1	10		KCCFLP
C[NH+]1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CN4CC[NH+](C)CC4)ccc2C3=O)CC1	ZINC000040953789	562086389	/nfs/dbraw/zinc/08/63/89/562086389.db2.gz	DGBVQMCXQFZYRS-UHFFFAOYSA-N	2	2	518.618	0.834	1	10		KCCFLP
CC[NH2+][C@H]1C[C@](C)(O)[C@H](C(=O)OC)c2cc3c(c(O)c21)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H]([NH+](C)C)[C@@H]1O	ZINC000042804449	562088690	/nfs/dbraw/zinc/08/86/90/562088690.db2.gz	DFAZNFSPNVGWMA-FYFSENNYSA-N	2	2	612.632	0.551	1	10		KCCFLP
C[NH2+][C@H]1C[C@](C)(O)[C@H](C(=O)OC)c2cc3c(c(O)c21)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H]([NH+](C)C)[C@@H]1O	ZINC000042806961	562089976	/nfs/dbraw/zinc/08/99/76/562089976.db2.gz	RTQMNYVTZWBNEN-YUXIMADCSA-N	2	2	598.605	0.161	1	10		KCCFLP
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H]([NH+](C)C)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H]([NH+](C)C)[C@@H]1O	ZINC000044281699	562653215	/nfs/dbraw/zinc/65/32/15/562653215.db2.gz	FRYQSQWPTSLYAN-FYFSENNYSA-N	2	2	612.632	0.503	1	10		KCCFLP
CCc1c(OC)cc(O[C@@H]2O[C@H](CO)[C@](O)(CCc3cc[nH+]c(N)c3)[C@H](O)[C@H]2O)c2c1C(=O)c1cc(C)c(CNC(=[NH2+])NC)c(O)c1C2=O	ZINC000085568866	565144132	/nfs/dbraw/zinc/14/41/32/565144132.db2.gz	OCDPPGOKOROYHM-KLISTDSISA-N	2	2	679.727	0.450	1	10	biogenic,in-vitro	KCCFLP
CNC(=[NH2+])N[C@H]1CCCc2cc3c(c(O)c21)C(=O)c1c(O[C@@H]2O[C@H](CO)[C@](O)(CCc4cc[nH+]c(N)c4)[C@H](O)[C@H]2O)cc(OC)cc1C3=O	ZINC000085568873	291657862	/nfs/dbraw/zinc/65/78/62/291657862.db2.gz	YJXGAXCCDIALKP-XOSCCYTLSA-N	2	2	677.711	0.456	1	10	biogenic,in-vitro	KCCFLP
CNC(=[NH2+])N[C@H]1CC[C@@H](Cc2ccc(N)[nH+]c2)c2cc3c(c(O)c21)C(=O)c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)cc1C3=O	ZINC000085568903	291657853	/nfs/dbraw/zinc/65/78/53/291657853.db2.gz	NVRDXQGUIPPORG-JNCIEFERSA-N	2	2	663.684	0.237	1	10	biogenic,in-vitro	KCCFLP
CNC(=[NH2+])NCc1c(CC2(c3ccc(N)[nH+]c3)CCCC2)cc2c(c1O)C(=O)c1c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)cc1C2=O	ZINC000085568910	291657323	/nfs/dbraw/zinc/65/73/23/291657323.db2.gz	YQNQIFIUTWTRJX-UPDQLEFCSA-N	2	2	691.738	0.630	1	10	biogenic,in-vitro	KCCFLP
C[NH2+]Cc1c(C)cc2c(c1O)C(=O)c1c(O[C@@H]3O[C@H](CO)[C@](O)(CCc4cc[nH+]c(N)c4)[C@H](O)[C@H]3O)cc(OC)cc1C2=O	ZINC000085568965	291658845	/nfs/dbraw/zinc/65/88/45/291658845.db2.gz	BJSCGVKNLZALBE-UQWSKINBSA-N	2	2	609.632	0.363	1	10	biogenic,in-vitro	KCCFLP
C[NH+]1CCN(C(=O)c2cc3c(o2)c(NCCNC(N)=[NH2+])c2c(c3NCCNC(N)=[NH2+])C(=O)c3ccccc3C2=O)CC1	ZINC000653808745	562913773	/nfs/dbraw/zinc/91/37/73/562913773.db2.gz	KVYGTEVLECNWOZ-UHFFFAOYSA-N	3	2	574.646	0.386	1	10		KCCFLP