smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCc1ccccc1)C(=O)CNC(=O)[C@@H](CC[S@@](C)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000015721564	553534655	/nfs/dbraw/zinc/53/46/55/553534655.db2.gz	WLERTHCRZKXZSG-LCNOMFLQSA-N	0	1	502.637	0.333	10	0		KCAEMN
CN(CCc1ccccc1)C(=O)CNC(=O)[C@@H](CC[S@](C)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000015721567	553534734	/nfs/dbraw/zinc/53/47/34/553534734.db2.gz	WLERTHCRZKXZSG-DQIFHGCKSA-N	0	1	502.637	0.333	10	0		KCAEMN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000028707608	553843728	/nfs/dbraw/zinc/84/37/28/553843728.db2.gz	CAYNQHPLZNPBIO-MNUOIFNESA-N	0	1	644.737	0.048	10	0	in-vivo	KCAEMN
C[C@H]1C[N@@H+](C[C@H](Cc2ccccc2)C(=O)NCC(=O)O[C@H]2O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]2O)CC[C@@]1(C)c1cccc(O)c1	ZINC000077270850	553656108	/nfs/dbraw/zinc/65/61/08/553656108.db2.gz	CXXURJOYZYSQEO-JQGMIYLFSA-N	0	1	600.665	0.402	10	0	in-vitro	KCAEMN
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)NCCNc1cccc2c1cccc2S(=O)(=O)[O-])[C@H](C)O	ZINC000085591319	553684930	/nfs/dbraw/zinc/68/49/30/553684930.db2.gz	HBAYCYNIUHZIOH-HNOASDITSA-N	0	1	716.862	0.445	10	0		KCAEMN
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)NCCNc1cccc2c1cccc2S(=O)(=O)[O-])[C@@H](C)O	ZINC000085591321	553684874	/nfs/dbraw/zinc/68/48/74/553684874.db2.gz	HBAYCYNIUHZIOH-ZAFYXXPVSA-N	0	1	716.862	0.445	10	0		KCAEMN
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(C)C)C(C)C)C(=O)[O-]	ZINC000169737539	571559942	/nfs/dbraw/zinc/55/99/42/571559942.db2.gz	CCHSWWYUHREZCY-JNRWAQIZSA-N	0	1	814.023	0.342	10	0		KCAEMN