smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1O	ZINC000183499346	496010953	/nfs/dbraw/zinc/01/09/53/496010953.db2.gz	OCAOUUNSQBLAGL-VGSWGCGISA-N	2	0	354.494	3.488	10	10		FGCERP
C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1O	ZINC000183499325	496011105	/nfs/dbraw/zinc/01/11/05/496011105.db2.gz	OCAOUUNSQBLAGL-JTSKRJEESA-N	2	0	354.494	3.488	10	10		FGCERP
C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1O	ZINC000183499386	496010523	/nfs/dbraw/zinc/01/05/23/496010523.db2.gz	OCAOUUNSQBLAGL-VGOFRKELSA-N	2	0	354.494	3.488	10	10		FGCERP
COc1cc(O)c(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1OC	ZINC000179989180	495812542	/nfs/dbraw/zinc/81/25/42/495812542.db2.gz	MKQDXPAVAGFRSY-OAHLLOKOSA-N	2	0	357.454	3.047	10	10		FGCERP
COc1cc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1OC	ZINC000179989165	495812632	/nfs/dbraw/zinc/81/26/32/495812632.db2.gz	MKQDXPAVAGFRSY-HNNXBMFYSA-N	2	0	357.454	3.047	10	10		FGCERP
COc1cccc(C[N@@H+]2CC[C@@H](CN(C)Cc3scnc3C)C2)c1O	ZINC000190469827	712815322	/nfs/dbraw/zinc/81/53/22/712815322.db2.gz	PLLBUGCTQRGDHK-HNNXBMFYSA-N	2	0	361.511	3.120	10	10		FGCERP
Oc1c(C[NH+]2CCCC2)cc(Nc2ncccn2)cc1C[NH+]1CCCC1	ZINC000027890020	494889312	/nfs/dbraw/zinc/88/93/12/494889312.db2.gz	SWFFUVKQCRGRSP-UHFFFAOYSA-N	2	0	353.470	3.117	10	10		FGCERP
C[N@@H+](Cc1ccccc1O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000179572014	495645426	/nfs/dbraw/zinc/64/54/26/495645426.db2.gz	LVFYWUPHILFZOF-JOCHJYFZSA-N	2	0	354.494	3.270	10	10		FGCERP
C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1O	ZINC000183499367	496010933	/nfs/dbraw/zinc/01/09/33/496010933.db2.gz	OCAOUUNSQBLAGL-HTAPYJJXSA-N	2	0	354.494	3.488	10	10		FGCERP
C[N@@H+](Cc1ccccc1O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000179571997	495645896	/nfs/dbraw/zinc/64/58/96/495645896.db2.gz	LVFYWUPHILFZOF-QFIPXVFZSA-N	2	0	354.494	3.270	10	10		FGCERP
COc1cccc(C[N@@H+]2CC[C@H](CN(C)Cc3scnc3C)C2)c1O	ZINC000190469850	712815305	/nfs/dbraw/zinc/81/53/05/712815305.db2.gz	PLLBUGCTQRGDHK-OAHLLOKOSA-N	2	0	361.511	3.120	10	10		FGCERP