smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21	ZINC000040567150	563146045	/nfs/dbraw/zinc/14/60/45/563146045.db2.gz	AKVYQGWHLOLELE-PKKBDPGCSA-N	1	0	453.564	4.688	10	5		JJBERO
CC(=O)N(Cc1cccnc1)C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(C)cc1	ZINC000034699280	569648529	/nfs/dbraw/zinc/64/85/29/569648529.db2.gz	WSKAXOBFHIRBEP-FTJBHMTQSA-N	1	0	458.562	4.563	10	5		JJBERO
CC(=O)N(Cc1cccnc1)C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(C)cc1	ZINC000247963969	570071643	/nfs/dbraw/zinc/07/16/43/570071643.db2.gz	WSKAXOBFHIRBEP-UIOOFZCWSA-N	1	0	458.562	4.563	10	5		JJBERO
CCCCOc1ccc(C[N@@+]2(C)[C@@H]3CC[C@H]2C[C@@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1	ZINC000261506578	717179591	/nfs/dbraw/zinc/17/95/91/717179591.db2.gz	ALVDDLOWVXJXCD-FBMGDHKISA-N	1	0	452.615	4.825	10	5	in-man	JJBERO
CCCCOc1ccc(C[N@@+]2(C)[C@@H]3CC[C@H]2C[C@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1	ZINC000254085949	717169930	/nfs/dbraw/zinc/16/99/30/717169930.db2.gz	ALVDDLOWVXJXCD-OWJYZPEXSA-N	1	0	452.615	4.825	10	5		JJBERO
CCCCOc1ccc(C[N@+]2(C)[C@@H]3CC[C@H]2C[C@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1	ZINC000254085944	717169950	/nfs/dbraw/zinc/16/99/50/717169950.db2.gz	ALVDDLOWVXJXCD-MCESJWERSA-N	1	0	452.615	4.825	10	5		JJBERO
CC/N=c1\cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCC[NH3+])c-2cc1C	ZINC000043764013	520209692	/nfs/dbraw/zinc/20/96/92/520209692.db2.gz	JYKRDROHTXPORS-QFMPWRQOSA-N	1	0	456.590	4.862	10	5		JJBERO
CCCCOc1ccc(C[N@+]2(C)[C@@H]3CC[C@H]2C[C@@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1	ZINC000261506579	717179470	/nfs/dbraw/zinc/17/94/70/717179470.db2.gz	ALVDDLOWVXJXCD-FHTJUNIKSA-N	1	0	452.615	4.825	10	5	in-man	JJBERO
CC(=O)N(Cc1cccnc1)C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(C)cc1	ZINC000169681682	569870805	/nfs/dbraw/zinc/87/08/05/569870805.db2.gz	WSKAXOBFHIRBEP-IZZNHLLZSA-N	1	0	458.562	4.563	10	5		JJBERO
CCCCOc1ccc(C[N+]2(C)[C@@H]3CC[C@H]2CC(OC(=O)[C@H](CO)c2ccccc2)C3)cc1	ZINC000002020508	554008898	/nfs/dbraw/zinc/00/88/98/554008898.db2.gz	ALVDDLOWVXJXCD-SPRJYOCZSA-N	1	0	452.615	4.825	10	5	in-vitro	JJBERO
CC[C@@H]1C[N@+]2([O-])CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1[NH2+]CCc2cc(OC)c(OC)cc21	ZINC000253393478	717165899	/nfs/dbraw/zinc/16/58/99/717165899.db2.gz	ATLIEUVZZKYTSZ-LXQWYYQBSA-N	1	0	497.656	4.847	10	5		JJBERO
CC[C@@H]1C[N@+]2([O-])CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21	ZINC000253393477	717165853	/nfs/dbraw/zinc/16/58/53/717165853.db2.gz	ATLIEUVZZKYTSZ-IWTSONCMSA-N	1	0	497.656	4.847	10	5		JJBERO
CC[C@@H]1C[N@+]2([O-])CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21	ZINC000253393475	717165892	/nfs/dbraw/zinc/16/58/92/717165892.db2.gz	ATLIEUVZZKYTSZ-DETLYOQDSA-N	1	0	497.656	4.847	10	5		JJBERO
CC[C@@H]1C[N@+]2([O-])CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2cc(OC)c(OC)cc21	ZINC000253393476	717165869	/nfs/dbraw/zinc/16/58/69/717165869.db2.gz	ATLIEUVZZKYTSZ-HFSOOCLMSA-N	1	0	497.656	4.847	10	5		JJBERO
CC(=O)N(Cc1cccnc1)C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(C)cc1	ZINC000034699281	569648483	/nfs/dbraw/zinc/64/84/83/569648483.db2.gz	WSKAXOBFHIRBEP-CLJLJLNGSA-N	1	0	458.562	4.563	10	5		JJBERO