smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000189322	342679798	/nfs/dbraw/zinc/67/97/98/342679798.db2.gz	PZMIGEOOGFFCNT-KRWDZBQOSA-N	0	3	249.313	3.594	50	10		BHCAHN
[NH3+][C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000189326	342679846	/nfs/dbraw/zinc/67/98/46/342679846.db2.gz	PZMIGEOOGFFCNT-QGZVFWFLSA-N	0	3	249.313	3.594	50	10		BHCAHN
CC(C)(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1	ZINC000002477769	388458917	/nfs/dbraw/zinc/45/89/17/388458917.db2.gz	IQQZIMMIMWQUJT-UHFFFAOYSA-N	0	3	247.382	3.676	50	10		BHCAHN
c1cn(-c2c3ccccc3nc3ccccc32)cn1	ZINC000004725920	385164941	/nfs/dbraw/zinc/16/49/41/385164941.db2.gz	WMLCJNVGEDCRLQ-UHFFFAOYSA-N	0	3	245.285	3.574	50	10		BHCAHN
[O-]c1ccccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21	ZINC000023282027	183302393	/nfs/dbraw/zinc/30/23/93/183302393.db2.gz	JBOWCOWLFHTNNS-ZFWWWQNUSA-N	0	3	245.366	3.547	50	10		BHCAHN
[O-]c1ccccc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21	ZINC000023282027	183302392	/nfs/dbraw/zinc/30/23/92/183302392.db2.gz	JBOWCOWLFHTNNS-ZFWWWQNUSA-N	0	3	245.366	3.547	50	10		BHCAHN
[O-]c1ccccc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000023282029	183302677	/nfs/dbraw/zinc/30/26/77/183302677.db2.gz	JBOWCOWLFHTNNS-HIFRSBDPSA-N	0	3	245.366	3.547	50	10		BHCAHN
[O-]c1ccccc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000023282029	183302673	/nfs/dbraw/zinc/30/26/73/183302673.db2.gz	JBOWCOWLFHTNNS-HIFRSBDPSA-N	0	3	245.366	3.547	50	10		BHCAHN
C[C@@H](CC1CCCCC1)[NH2+]Cc1ccccc1[O-]	ZINC000034875345	345843357	/nfs/dbraw/zinc/84/33/57/345843357.db2.gz	IRWBEPDMVHOCPD-ZDUSSCGKSA-N	0	3	247.382	3.841	50	10		BHCAHN
C[C@H](CC1CCCCC1)[NH2+]Cc1ccccc1[O-]	ZINC000045166848	640508422	/nfs/dbraw/zinc/50/84/22/640508422.db2.gz	IRWBEPDMVHOCPD-CYBMUJFWSA-N	0	3	247.382	3.841	50	10		BHCAHN
[O-]c1ccccc1C[N@H+]1CCC[C@H]2CCCC[C@H]21	ZINC000179576894	183302102	/nfs/dbraw/zinc/30/21/02/183302102.db2.gz	JBOWCOWLFHTNNS-UKRRQHHQSA-N	0	3	245.366	3.547	50	10		BHCAHN
[O-]c1ccccc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21	ZINC000179576894	183302100	/nfs/dbraw/zinc/30/21/00/183302100.db2.gz	JBOWCOWLFHTNNS-UKRRQHHQSA-N	0	3	245.366	3.547	50	10		BHCAHN
[O-]c1ccccc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21	ZINC000230136160	183301330	/nfs/dbraw/zinc/30/13/30/183301330.db2.gz	JBOWCOWLFHTNNS-DZGCQCFKSA-N	0	3	245.366	3.547	50	10		BHCAHN
[O-]c1ccccc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21	ZINC000230136160	183301329	/nfs/dbraw/zinc/30/13/29/183301329.db2.gz	JBOWCOWLFHTNNS-DZGCQCFKSA-N	0	3	245.366	3.547	50	10		BHCAHN