smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000004019704	554472220	/nfs/dbraw/zinc/47/22/20/554472220.db2.gz	FFTVPQUHLQBXQZ-KVUCHLLUSA-N	0	2	457.483	0.030	40	30	investigational	JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2O	ZINC000004574555	522239523	/nfs/dbraw/zinc/23/95/23/522239523.db2.gz	FFTVPQUHLQBXQZ-WTIUCFQTSA-N	0	2	457.483	0.030	40	30		JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2O	ZINC000006507058	554547881	/nfs/dbraw/zinc/54/78/81/554547881.db2.gz	FFTVPQUHLQBXQZ-PYOFKWECSA-N	0	2	457.483	0.030	40	30		JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000009211800	554981742	/nfs/dbraw/zinc/98/17/42/554981742.db2.gz	FFTVPQUHLQBXQZ-KLURGKLGSA-N	0	2	457.483	0.030	40	30		JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000009302287	555075032	/nfs/dbraw/zinc/07/50/32/555075032.db2.gz	FFTVPQUHLQBXQZ-LKAKZKOMSA-N	0	2	457.483	0.030	40	30		JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000013783865	555618232	/nfs/dbraw/zinc/61/82/32/555618232.db2.gz	DYKFCLLONBREIL-NZSJYHRGSA-N	0	2	457.483	0.187	40	30		JCEBLN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2O	ZINC000018272309	556318345	/nfs/dbraw/zinc/31/83/45/556318345.db2.gz	DYKFCLLONBREIL-XDZLDNBXSA-N	0	2	457.483	0.187	40	30	in-vitro	JCEBLN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2O	ZINC000019800830	556378314	/nfs/dbraw/zinc/37/83/14/556378314.db2.gz	DYKFCLLONBREIL-BJEQLJQGSA-N	0	2	457.483	0.187	40	30	biogenic,in-vitro	JCEBLN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2O	ZINC000019800831	556378173	/nfs/dbraw/zinc/37/81/73/556378173.db2.gz	DYKFCLLONBREIL-DCCRXGOGSA-N	0	2	457.483	0.187	40	30	biogenic,in-vitro	JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2O	ZINC000019800832	556378150	/nfs/dbraw/zinc/37/81/50/556378150.db2.gz	DYKFCLLONBREIL-VODOJQOBSA-N	0	2	457.483	0.187	40	30	biogenic,in-vitro	JCEBLN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2O	ZINC000019868839	555523400	/nfs/dbraw/zinc/52/34/00/555523400.db2.gz	DYKFCLLONBREIL-OLQLPNTFSA-N	0	2	457.483	0.187	40	30	in-vitro	JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000026955544	556266635	/nfs/dbraw/zinc/26/66/35/556266635.db2.gz	DYKFCLLONBREIL-AIWOOYGZSA-N	0	2	457.483	0.187	40	30		JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2O	ZINC000036372474	569773612	/nfs/dbraw/zinc/77/36/12/569773612.db2.gz	DYKFCLLONBREIL-OBPQCYFVSA-N	0	2	457.483	0.187	40	30		JCEBLN
C=C1c2c(Cl)ccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000060298588	569608638	/nfs/dbraw/zinc/60/86/38/569608638.db2.gz	SEPIRJBAIBYOSG-ISFNZQQKSA-N	0	2	476.869	0.059	40	30	in-vitro	JCEBLN
C=C1c2c(Cl)ccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@@H]12	ZINC000078832372	569706762	/nfs/dbraw/zinc/70/67/62/569706762.db2.gz	RNIADBXQDMCFEN-BMWPDRKBSA-N	0	2	476.869	0.059	40	30		JCEBLN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000100409820	569759355	/nfs/dbraw/zinc/75/93/55/569759355.db2.gz	CUJCFMVUUMIFDR-NNQQPRJISA-N	0	2	457.483	0.030	40	30	in-vitro	JCEBLN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000100409824	569759340	/nfs/dbraw/zinc/75/93/40/569759340.db2.gz	CUJCFMVUUMIFDR-WYYBVBQMSA-N	0	2	457.483	0.030	40	30		JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2O	ZINC000111342134	569860924	/nfs/dbraw/zinc/86/09/24/569860924.db2.gz	CUJCFMVUUMIFDR-YWBNVVQVSA-N	0	2	457.483	0.030	40	30		JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2O	ZINC000138649904	569866132	/nfs/dbraw/zinc/86/61/32/569866132.db2.gz	CUJCFMVUUMIFDR-IZWUPQEZSA-N	0	2	457.483	0.030	40	30		JCEBLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000255967965	570106548	/nfs/dbraw/zinc/10/65/48/570106548.db2.gz	CUJCFMVUUMIFDR-IZDGXVOGSA-N	0	2	457.483	0.030	40	30		JCEBLN