smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)c(C#N)c(=O)n1CC(=O)[O-]	ZINC000026724732	136153245	/nfs/dbraw/zinc/15/32/45/136153245.db2.gz	JPMIRLYNKPYGKE-UHFFFAOYSA-N	0	1	367.409	0.830	1	30		FCEFMN
NC(=[NH2+])NCCCC(NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388442	574418296	/nfs/dbraw/zinc/41/82/96/574418296.db2.gz	YBVNRVPRRUDICS-GFCCVEGCSA-N	0	1	360.418	0.493	1	30	endogenous,in-vitro	FCEFMN
O=C(NO)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2c3ccccc3C[C@H]2C1	ZINC000034801906	208111918	/nfs/dbraw/zinc/11/19/18/208111918.db2.gz	RINLHBFSMHCDCB-ZOBUZTSGSA-N	0	1	370.453	0.524	1	30		FCEFMN
CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(Cl)cnc(NC(N)=[NH2+])c2c1	ZINC000014960747	211106141	/nfs/dbraw/zinc/10/61/41/211106141.db2.gz	YSILPIWCDPHDRP-UHFFFAOYSA-N	0	1	371.806	0.498	1	30		FCEFMN
C[C@@H](NS(=O)(=O)c1ccc2c(Cl)cnc(NC(N)=[NH2+])c2c1)C(=O)[O-]	ZINC000014960764	211106572	/nfs/dbraw/zinc/10/65/72/211106572.db2.gz	WCTDCNDFJVKKHF-ZCFIWIBFSA-N	0	1	371.806	0.545	1	30		FCEFMN
C=C[C@@]1(O)C[N@@H+]2CC[C@@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=C[C@@H]2NC(=O)C1	ZINC000095099438	291027264	/nfs/dbraw/zinc/02/72/64/291027264.db2.gz	GCZKTIYYMLKKFY-KDVGAUMMSA-N	0	1	358.438	0.644	1	30	biogenic,in-vitro	FCEFMN
COc1ccc(S(=O)(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)NO)cc1	ZINC000013797682	211059428	/nfs/dbraw/zinc/05/94/28/211059428.db2.gz	UNRFEBNSHUZKHJ-CYBMUJFWSA-N	0	1	352.372	0.039	1	30		FCEFMN
CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(NC(=O)CS)CCC(=O)[C@@H]3O5	ZINC000013736733	211055464	/nfs/dbraw/zinc/05/54/64/211055464.db2.gz	IFWCCHXFUMLVAF-WEZQJLTASA-N	0	1	374.462	0.799	1	30		FCEFMN
NC(=[NH2+])NCCCC(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388446	574418286	/nfs/dbraw/zinc/41/82/86/574418286.db2.gz	YBVNRVPRRUDICS-LBPRGKRZSA-N	0	1	360.418	0.493	1	30	endogenous,in-vitro	FCEFMN
NC(=[NH2+])Nc1ncc(Cl)c2ccc(S(=O)(=O)NCC(=O)[O-])cc21	ZINC000014960736	220136530	/nfs/dbraw/zinc/13/65/30/220136530.db2.gz	NDLXLLJSLDEOHD-UHFFFAOYSA-N	0	1	357.779	0.156	1	30		FCEFMN
Cc1cccc(N2CCN(C(=O)[C@H]3NCC4(CC4)C[C@@H]3C(=O)NO)CC2)c1	ZINC000029037943	136153590	/nfs/dbraw/zinc/15/35/90/136153590.db2.gz	KAJHXHOIEARPHN-IRXDYDNUSA-N	0	1	372.469	0.907	1	30		FCEFMN
C=C[C@@]1(O)C[N@@H+]2CC[C@@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=C[C@H]2NC(=O)C1	ZINC000095099437	560062438	/nfs/dbraw/zinc/06/24/38/560062438.db2.gz	GCZKTIYYMLKKFY-MCQZLPRZSA-N	0	1	358.438	0.644	1	30	biogenic,in-vitro	FCEFMN