smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O)c2c(=O)c3c(cccc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc-2o1	ZINC000006069586	569039328	/nfs/dbraw/zinc/03/93/28/569039328.db2.gz	SBVZTBIAKFTNIJ-CZNQJBLBSA-N	0	1	404.371	0.139	40	5	biogenic	HCBBMN
CCOC(=O)[C@H]1C([O-])=NC(N2CCN(CC)CC2)=[NH+][C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162940	559154359	/nfs/dbraw/zinc/15/43/59/559154359.db2.gz	OFQDKKHJBXHSNR-HZPDHXFCSA-N	0	1	403.439	0.939	40	5		HCBBMN
CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(CC)CC2)=[NH+][C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162943	559154390	/nfs/dbraw/zinc/15/43/90/559154390.db2.gz	OFQDKKHJBXHSNR-JKSUJKDBSA-N	0	1	403.439	0.939	40	5		HCBBMN
CCOC(=O)[C@H]1C([O-])=NC(N2CCN(CC)CC2)=[NH+][C@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162946	559154428	/nfs/dbraw/zinc/15/44/28/559154428.db2.gz	OFQDKKHJBXHSNR-CVEARBPZSA-N	0	1	403.439	0.939	40	5		HCBBMN
CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(CC)CC2)=[NH+][C@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162949	559154400	/nfs/dbraw/zinc/15/44/00/559154400.db2.gz	OFQDKKHJBXHSNR-HOTGVXAUSA-N	0	1	403.439	0.939	40	5		HCBBMN
COC(=O)c1ccc(N(C)CCC(=O)CNc2nc(N)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000017428785	569292275	/nfs/dbraw/zinc/29/22/75/569292275.db2.gz	CUZNFKROILMPBQ-UHFFFAOYSA-N	0	1	404.383	0.554	40	5		HCBBMN
CCOC(=O)[C@H]1C([O-])=NC(N2CCN(CC)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801102	521281370	/nfs/dbraw/zinc/28/13/70/521281370.db2.gz	MHBQPFRVTBVDPK-HZPDHXFCSA-N	0	1	403.439	0.939	40	5		HCBBMN
CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(CC)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801105	521093843	/nfs/dbraw/zinc/09/38/43/521093843.db2.gz	MHBQPFRVTBVDPK-JKSUJKDBSA-N	0	1	403.439	0.939	40	5		HCBBMN
CCOC(=O)[C@H]1C([O-])=NC(N2CCN(CC)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801109	521281260	/nfs/dbraw/zinc/28/12/60/521281260.db2.gz	MHBQPFRVTBVDPK-CVEARBPZSA-N	0	1	403.439	0.939	40	5		HCBBMN
CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(CC)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801113	521092716	/nfs/dbraw/zinc/09/27/16/521092716.db2.gz	MHBQPFRVTBVDPK-HOTGVXAUSA-N	0	1	403.439	0.939	40	5		HCBBMN