smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@@H](CC(=O)N[O-])C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C)C(=O)NCC[NH3+]	ZINC000044681840	569838799	/nfs/dbraw/zinc/83/87/99/569838799.db2.gz	AWNBSWDIOCXWJW-VOQZNFBZSA-N	0	3	499.612	1.005	40	30		JDEBHN
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2cccc(OC(F)(F)F)c2)N1C	ZINC000022923441	555976165	/nfs/dbraw/zinc/97/61/65/555976165.db2.gz	BFNJXLDPBDNQGP-HQRMLTQVSA-N	0	3	452.477	1.488	40	30	biogenic,in-vitro	JDEBHN
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)NCC[NH3+]	ZINC000095911029	569729444	/nfs/dbraw/zinc/72/94/44/569729444.db2.gz	AWNBSWDIOCXWJW-MTNREXPMSA-N	0	3	499.612	1.005	40	30		JDEBHN
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C)C(=O)NCC[NH3+]	ZINC000098183634	569750772	/nfs/dbraw/zinc/75/07/72/569750772.db2.gz	AWNBSWDIOCXWJW-YHYVQYDKSA-N	0	3	499.612	1.005	40	30		JDEBHN
CC(=N\NC(=S)NCCN1CCCCC1)/C(C)=N/NC(=S)NCCN1CCCCC1	ZINC000101208870	569787181	/nfs/dbraw/zinc/78/71/81/569787181.db2.gz	RFZXOOKXYRDPOR-GJHDBBOXSA-N	0	3	454.714	1.638	40	30		JDEBHN
CN1CCC(NC(=O)C2=CC(=C3C(=O)CC(=O)C=C3Oc3ccc([N+](=O)[O-])cc3)ON2)CC1	ZINC000142996548	569867564	/nfs/dbraw/zinc/86/75/64/569867564.db2.gz	LNOSECQICJNHTG-MRCUWXFGSA-N	0	3	454.439	1.765	40	30	in-vitro	JDEBHN
CC(C)C[C@@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)NCC[NH3+]	ZINC000013907320	555645829	/nfs/dbraw/zinc/64/58/29/555645829.db2.gz	AWNBSWDIOCXWJW-HSQYWUDLSA-N	0	3	499.612	1.005	40	30	in-vitro	JDEBHN
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C)C(=O)NCC[NH3+]	ZINC000044681843	569838805	/nfs/dbraw/zinc/83/88/05/569838805.db2.gz	AWNBSWDIOCXWJW-ZPMCFJSWSA-N	0	3	499.612	1.005	40	30		JDEBHN
CNCc1ccc(CSCCNC(=NS(C)(=O)=O)NC[C@H](O)c2ccc(O)cc2)o1	ZINC000011616142	522117937	/nfs/dbraw/zinc/11/79/37/522117937.db2.gz	GZPOYVTZKHVRHE-SFHVURJKSA-N	0	3	456.590	1.166	40	30	investigational	JDEBHN
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)NCC[NH3+]	ZINC000003813502	194361532	/nfs/dbraw/zinc/36/15/32/194361532.db2.gz	AWNBSWDIOCXWJW-WTOYTKOKSA-N	0	3	499.612	1.005	40	30	in-vitro	JDEBHN