smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@@H]1CC[C@H](O)[C@@H]2C(O)=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]4C[C@@H]3C[C@H]12	ZINC000071404940	569697029	/nfs/dbraw/zinc/69/70/29/569697029.db2.gz	YAZXSROFAUMUSJ-FJKJMOFZSA-N	1	0	463.531	-0.734	40	30		JBEBRO
C[NH+](C)[C@@H]1CC[C@H](O)[C@@H]2C(O)=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]4C[C@@H]3C[C@@H]12	ZINC000071404942	569697013	/nfs/dbraw/zinc/69/70/13/569697013.db2.gz	YAZXSROFAUMUSJ-UDTITWAZSA-N	1	0	463.531	-0.734	40	30		JBEBRO
C[NH+](C)[C@H]1CC[C@H](O)[C@@H]2C(O)=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]4C[C@@H]3C[C@@H]21	ZINC000071404945	569697080	/nfs/dbraw/zinc/69/70/80/569697080.db2.gz	YAZXSROFAUMUSJ-PWMLJGDZSA-N	1	0	463.531	-0.734	40	30		JBEBRO
C[NH+](C)[C@H]1CC[C@H](O)[C@@H]2C(O)=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]4C[C@@H]3C[C@H]21	ZINC000071404946	569697071	/nfs/dbraw/zinc/69/70/71/569697071.db2.gz	YAZXSROFAUMUSJ-TZVNLHSUSA-N	1	0	463.531	-0.734	40	30		JBEBRO
C#CCOc1ccc(C[C@H]([NH3+])C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)cc1	ZINC000205891530	1069973760	/nfs/dbraw/zinc/97/37/60/1069973760.db2.gz	JXBIGWQNNSJLQK-IYRMOJGWSA-N	1	0	495.540	-0.790	40	30		JBEBRO
CSCC[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000255991614	570106559	/nfs/dbraw/zinc/10/65/59/570106559.db2.gz	OBVHKUFUDCPZDW-ARFHVFGLSA-N	1	0	452.581	-0.583	40	30		JBEBRO
CSCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000255991615	570106677	/nfs/dbraw/zinc/10/66/77/570106677.db2.gz	OBVHKUFUDCPZDW-HRCADAONSA-N	1	0	452.581	-0.583	40	30		JBEBRO
C[NH+](C)[C@@H]1CC[C@H](O)[C@H]2C(O)=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]4C[C@@H]3C[C@@H]12	ZINC000263583749	570170714	/nfs/dbraw/zinc/17/07/14/570170714.db2.gz	YAZXSROFAUMUSJ-KMYNAGTASA-N	1	0	463.531	-0.734	40	30		JBEBRO
C[NH+](C)[C@@H]1CC[C@H](O)[C@H]2C(O)=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]4C[C@@H]3C[C@H]12	ZINC000263583750	570170694	/nfs/dbraw/zinc/17/06/94/570170694.db2.gz	YAZXSROFAUMUSJ-VGQTVALZSA-N	1	0	463.531	-0.734	40	30		JBEBRO