smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC[C@@]12C[C@H](CC[NH2+]1)Oc1cc(ccc1O)C[C@H]1[C@@H](C#C[C@](CNC(=[NH2+])NC)([C@H](C)O)CC[C@H](O)C[C@@H]1OC(C)=O)CCC2	ZINC000085627915	565160750	/nfs/dbraw/zinc/16/07/50/565160750.db2.gz	DPWLVVPWJZHFCW-GHIHAZMUSA-N	2	3	627.827	2.031	1	30	biogenic,in-vitro	KEEFHP
CC(=O)O[C@H]1C[C@@H](O)CC[C@@]2(C#CC[C@@H]1Cc1ccc(O)c(OC3CC[NH2+]CC3)c1)CCN1C[C@H]3C[C@@H](C1)CN(C3)C[NH+]=C(N)NC2	ZINC000085628052	565161158	/nfs/dbraw/zinc/16/11/58/565161158.db2.gz	FFUQPWVGRFNWMM-UTRGKCJISA-N	2	3	650.865	2.267	1	30	biogenic,in-vitro	KEEFHP
C=CCc1ccc(-c2cc(Nc3ccc(C[NH3+])cc3)c3cccc(C(=O)N[C@@H](CN)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CC=C)C(N)=O)c3n2)cc1	ZINC000095539438	562755065	/nfs/dbraw/zinc/75/50/65/562755065.db2.gz	RUQUKZFRGUHFFP-UEMWQVMZSA-N	2	3	776.943	2.166	1	30		KEEFHP
N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1	ZINC000095564847	562764429	/nfs/dbraw/zinc/76/44/29/562764429.db2.gz	AKRKDQLSNCYPLM-OALUTQOASA-N	2	3	522.547	2.046	1	30		KEEFHP