smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn(C[C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])O2)c(=O)[nH]c1=O	ZINC000029123639	561996882	/nfs/dbraw/zinc/99/68/82/561996882.db2.gz	PVDZIMZLWOPKTL-LTIDMASMSA-N	-1	0	516.467	-0.258	1	10		KBCFRM
CCC[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C1=C2CC[C@@H](O)C=C2C(=O)O1	ZINC000070455383	291624189	/nfs/dbraw/zinc/62/41/89/291624189.db2.gz	ITTASTHBNBBMNM-IPOQPSJVSA-N	-1	0	513.569	-0.342	1	10	biogenic,in-vitro	KBCFRM
Cc1cc(O)c2c(c1)C(=O)c1cccc(O[C@@H]3O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c1C2=O	ZINC000085490536	560075421	/nfs/dbraw/zinc/07/54/21/560075421.db2.gz	JTBHLAGLMHJJIX-LHNXKRSWSA-N	-1	0	502.428	-0.320	1	10	biogenic,in-vitro	KBCFRM
NC(=O)CC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000096904709	562798450	/nfs/dbraw/zinc/79/84/50/562798450.db2.gz	AWTUWVXFKPDVME-FWEHEUNISA-N	-1	0	759.773	-0.970	1	10		KBCFRM
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](N)[C@H]3SC2)[C@@H](O)[C@H](C)O1	ZINC000169303552	562853216	/nfs/dbraw/zinc/85/32/16/562853216.db2.gz	HWKFYXJFFNPYFP-BGYKLFCGSA-N	-1	0	799.764	-0.650	1	10		KBCFRM
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](N)[C@H]3SC2)[C@@H](O)[C@@H](C)O1	ZINC000194947002	562871497	/nfs/dbraw/zinc/87/14/97/562871497.db2.gz	HWKFYXJFFNPYFP-MGNIQZTGSA-N	-1	0	799.764	-0.650	1	10		KBCFRM
[N-]=[N+]=N[C@@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CNS(=O)(=O)[N-]C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@H]1O	ZINC000473133982	562900453	/nfs/dbraw/zinc/90/04/53/562900453.db2.gz	ADVDUOWDPHQFNE-ROPJLRCXSA-N	-1	0	596.656	-0.978	1	10		KBCFRM