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+](C)CCNC(=O)c1ccc(CSc2nc(N3CC[NH+](C)CC3)cc(C(F)(F)F)n2)cc1	ZINC000036045208	521784081	/nfs/dbraw/zinc/78/40/81/521784081.db2.gz	PBUCRMXGCJHYNG-UHFFFAOYSA-N	2	1	482.576	2.831	10	0		JFAEMP
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+](Cc1c[nH]c3ccccc13)CC2	ZINC000014744367	521640096	/nfs/dbraw/zinc/64/00/96/521640096.db2.gz	BHNGUZBFJLEQLW-HXUWFJFHSA-N	2	1	464.614	2.783	10	0		JFAEMP
CC[N@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+](Cc1c[nH]c3ccccc13)CC2	ZINC000014744367	521640099	/nfs/dbraw/zinc/64/00/99/521640099.db2.gz	BHNGUZBFJLEQLW-HXUWFJFHSA-N	2	1	464.614	2.783	10	0		JFAEMP
CC[NH+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[N@H+](Cc1c[nH]c3ccccc13)CC2	ZINC000014744367	521640102	/nfs/dbraw/zinc/64/01/02/521640102.db2.gz	BHNGUZBFJLEQLW-HXUWFJFHSA-N	2	1	464.614	2.783	10	0		JFAEMP
CC[NH+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[N@@H+](Cc1c[nH]c3ccccc13)CC2	ZINC000014744367	521640106	/nfs/dbraw/zinc/64/01/06/521640106.db2.gz	BHNGUZBFJLEQLW-HXUWFJFHSA-N	2	1	464.614	2.783	10	0		JFAEMP
NC(=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5	ZINC000003941269	194367010	/nfs/dbraw/zinc/36/70/10/194367010.db2.gz	VLNHDKDBGWXJEE-GYHUNEDQSA-N	2	1	471.561	2.878	10	0	in-vivo	JFAEMP
CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)N4CC[NH+](CC)CC4)cc3)CC2)CC1	ZINC000015002572	555847525	/nfs/dbraw/zinc/84/75/25/555847525.db2.gz	WWRUXQLYOVIUNT-UHFFFAOYSA-N	2	1	456.631	2.708	10	0		JFAEMP
CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+](Cc1c[nH]c3ccccc13)CC2	ZINC000014744368	521657160	/nfs/dbraw/zinc/65/71/60/521657160.db2.gz	BHNGUZBFJLEQLW-FQEVSTJZSA-N	2	1	464.614	2.783	10	0		JFAEMP
CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[NH+](Cc1c[nH]c3ccccc13)CC2	ZINC000014744368	521657162	/nfs/dbraw/zinc/65/71/62/521657162.db2.gz	BHNGUZBFJLEQLW-FQEVSTJZSA-N	2	1	464.614	2.783	10	0		JFAEMP
CC[NH+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[N@H+](Cc1c[nH]c3ccccc13)CC2	ZINC000014744368	521657164	/nfs/dbraw/zinc/65/71/64/521657164.db2.gz	BHNGUZBFJLEQLW-FQEVSTJZSA-N	2	1	464.614	2.783	10	0		JFAEMP
CC[NH+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[N@@H+](Cc1c[nH]c3ccccc13)CC2	ZINC000014744368	521657166	/nfs/dbraw/zinc/65/71/66/521657166.db2.gz	BHNGUZBFJLEQLW-FQEVSTJZSA-N	2	1	464.614	2.783	10	0		JFAEMP
CN1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O	ZINC000096113394	560060461	/nfs/dbraw/zinc/06/04/61/560060461.db2.gz	GAMQMGMHSQQSKF-UYAOXDASSA-N	2	1	454.537	2.586	10	0	biogenic	JFAEMP