smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(OCC[NH+]2CCCC2)cc1	ZINC000012480568	526958491	/nfs/dbraw/zinc/95/84/91/526958491.db2.gz	ONAJGDUBHLCUDX-JWQCQUIFSA-N	2	1	455.574	3.056	10	0	biogenic	JGAEMP
O=C(N[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(OCC[NH+]2CCCC2)cc1	ZINC000012480568	526958500	/nfs/dbraw/zinc/95/85/00/526958500.db2.gz	ONAJGDUBHLCUDX-JWQCQUIFSA-N	2	1	455.574	3.056	10	0	biogenic	JGAEMP
O=C(CC[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1[NH+]1CCCC1)NCCC[NH+]1CCOCC1	ZINC000011967801	555872604	/nfs/dbraw/zinc/87/26/04/555872604.db2.gz	PNBNPFBGSYYGJS-UKILVPOCSA-N	2	1	477.093	3.245	10	0		JGAEMP
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[N@@H+](C)[C@@H]1CC1=C[NH+](C)[C@H]3C=CC=C2[C@@H]13	ZINC000252668985	570091374	/nfs/dbraw/zinc/09/13/74/570091374.db2.gz	GCNGMFQQSBSPIJ-HQPZKQDGSA-N	2	1	486.410	3.420	10	0	in-vitro	JGAEMP
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[NH+](C)[C@@H]1CC1=C[N@H+](C)[C@H]3C=CC=C2[C@@H]13	ZINC000252668985	570091375	/nfs/dbraw/zinc/09/13/75/570091375.db2.gz	GCNGMFQQSBSPIJ-HQPZKQDGSA-N	2	1	486.410	3.420	10	0	in-vitro	JGAEMP
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[NH+](C)[C@@H]1CC1=C[N@@H+](C)[C@H]3C=CC=C2[C@@H]13	ZINC000252668985	570091376	/nfs/dbraw/zinc/09/13/76/570091376.db2.gz	GCNGMFQQSBSPIJ-HQPZKQDGSA-N	2	1	486.410	3.420	10	0	in-vitro	JGAEMP
COc1ccccc1CNC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000020918502	195247196	/nfs/dbraw/zinc/24/71/96/195247196.db2.gz	LVANFDASUQEWGC-IZZNHLLZSA-N	2	1	464.654	3.230	10	0		JGAEMP
C[NH+]1CCC([NH2+][C@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]23CCC(=O)NCc2cccnc2)CC1	ZINC000035442603	560079719	/nfs/dbraw/zinc/07/97/19/560079719.db2.gz	OKCMIWFKSFLJRA-ZCUSHOGSSA-N	2	1	456.675	3.498	10	0	biogenic	JGAEMP
CN(C(=O)CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)C1CC[NH+](C)CC1	ZINC000011911168	555858889	/nfs/dbraw/zinc/85/88/89/555858889.db2.gz	CNFRTTUSVFCGHJ-WIOPSUGQSA-N	2	1	477.093	3.196	10	0		JGAEMP
CN(C(=O)CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1	ZINC000011911168	555858892	/nfs/dbraw/zinc/85/88/92/555858892.db2.gz	CNFRTTUSVFCGHJ-WIOPSUGQSA-N	2	1	477.093	3.196	10	0		JGAEMP
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[N@@H+](C)[C@@H]1CC1=C[NH+](C)[C@@H]3C=CC=C2[C@H]13	ZINC000252668986	570091535	/nfs/dbraw/zinc/09/15/35/570091535.db2.gz	GCNGMFQQSBSPIJ-ZMFPCQTASA-N	2	1	486.410	3.420	10	0	in-vitro	JGAEMP
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[NH+](C)[C@@H]1CC1=C[N@H+](C)[C@@H]3C=CC=C2[C@H]13	ZINC000252668986	570091536	/nfs/dbraw/zinc/09/15/36/570091536.db2.gz	GCNGMFQQSBSPIJ-ZMFPCQTASA-N	2	1	486.410	3.420	10	0	in-vitro	JGAEMP
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[NH+](C)[C@@H]1CC1=C[N@@H+](C)[C@@H]3C=CC=C2[C@H]13	ZINC000252668986	570091537	/nfs/dbraw/zinc/09/15/37/570091537.db2.gz	GCNGMFQQSBSPIJ-ZMFPCQTASA-N	2	1	486.410	3.420	10	0	in-vitro	JGAEMP
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[N@@H+](C)[C@@H]1CC1=C[NH+](C)[C@H]3C=CC=C2[C@H]13	ZINC000098052501	569750060	/nfs/dbraw/zinc/75/00/60/569750060.db2.gz	GCNGMFQQSBSPIJ-CUVDUJHQSA-N	2	1	486.410	3.420	10	0	in-vitro	JGAEMP
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[NH+](C)[C@@H]1CC1=C[N@H+](C)[C@H]3C=CC=C2[C@H]13	ZINC000098052501	569750061	/nfs/dbraw/zinc/75/00/61/569750061.db2.gz	GCNGMFQQSBSPIJ-CUVDUJHQSA-N	2	1	486.410	3.420	10	0	in-vitro	JGAEMP
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[NH+](C)[C@@H]1CC1=C[N@@H+](C)[C@H]3C=CC=C2[C@H]13	ZINC000098052501	569750063	/nfs/dbraw/zinc/75/00/63/569750063.db2.gz	GCNGMFQQSBSPIJ-CUVDUJHQSA-N	2	1	486.410	3.420	10	0	in-vitro	JGAEMP
C[NH+](C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccco1	ZINC000036312208	569760100	/nfs/dbraw/zinc/76/01/00/569760100.db2.gz	MOXXNCKAIVLQSZ-UHFFFAOYSA-N	2	1	455.534	3.030	10	0		JGAEMP
COC(=O)c1ccc(C[N@@H+]2C[C@H](Sc3ccc(OC)cc3)C[C@H]2C(=O)N2CCC[NH+](C)CC2)cc1	ZINC000015069262	555869193	/nfs/dbraw/zinc/86/91/93/555869193.db2.gz	YUVVZEYIRWTRMJ-RPBOFIJWSA-N	2	1	497.661	3.381	10	0		JGAEMP
COC(=O)c1ccc(C[N@H+]2C[C@H](Sc3ccc(OC)cc3)C[C@H]2C(=O)N2CCC[NH+](C)CC2)cc1	ZINC000015069262	555869194	/nfs/dbraw/zinc/86/91/94/555869194.db2.gz	YUVVZEYIRWTRMJ-RPBOFIJWSA-N	2	1	497.661	3.381	10	0		JGAEMP
COC(=O)c1ccc(C[NH+]2C[C@H](Sc3ccc(OC)cc3)C[C@H]2C(=O)N2CCC[N@H+](C)CC2)cc1	ZINC000015069262	555869195	/nfs/dbraw/zinc/86/91/95/555869195.db2.gz	YUVVZEYIRWTRMJ-RPBOFIJWSA-N	2	1	497.661	3.381	10	0		JGAEMP
COC(=O)c1ccc(C[NH+]2C[C@H](Sc3ccc(OC)cc3)C[C@H]2C(=O)N2CCC[N@@H+](C)CC2)cc1	ZINC000015069262	555869196	/nfs/dbraw/zinc/86/91/96/555869196.db2.gz	YUVVZEYIRWTRMJ-RPBOFIJWSA-N	2	1	497.661	3.381	10	0		JGAEMP
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[NH+](C)[C@@H]1CC1=C[N@@H+](C)[C@@H]3C=CC=C2[C@@H]13	ZINC000215797983	569877737	/nfs/dbraw/zinc/87/77/37/569877737.db2.gz	GCNGMFQQSBSPIJ-JDXVYJQZSA-N	2	1	486.410	3.420	10	0	in-vitro	JGAEMP