smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)n1-c1cccc(Br)c1	ZINC000262109160	645617803	/nfs/dbraw/zinc/61/78/03/645617803.db2.gz	FGARVEWTKLAIBX-CXAGYDPISA-N	1	0	392.297	2.167	10	10		GECERO
CCOc1cccc(C[N@H+](C)CCn2cc(C(=O)N3CCCCC3)nn2)c1O	ZINC000011910301	204360527	/nfs/dbraw/zinc/36/05/27/204360527.db2.gz	PNUAUFNNXKUEGR-UHFFFAOYSA-N	1	0	387.484	2.141	10	10		GECERO
Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1cccc(Br)c1	ZINC000262109171	645617700	/nfs/dbraw/zinc/61/77/00/645617700.db2.gz	FGARVEWTKLAIBX-GUYCJALGSA-N	1	0	392.297	2.167	10	10		GECERO
COc1cccc(C[NH+]2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c1O	ZINC000012042657	204368753	/nfs/dbraw/zinc/36/87/53/204368753.db2.gz	PWSCMDLEAHQNTC-UHFFFAOYSA-N	1	0	387.484	2.215	10	10		GECERO
CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@@H+]1C[C@@H](C)O	ZINC000120692201	643622860	/nfs/dbraw/zinc/62/28/60/643622860.db2.gz	NWTZAYFUWYUFLY-DOMZBBRYSA-N	1	0	387.318	2.440	10	10		GECERO
Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1cccc(Br)c1	ZINC000262109168	645617722	/nfs/dbraw/zinc/61/77/22/645617722.db2.gz	FGARVEWTKLAIBX-DYVFJYSZSA-N	1	0	392.297	2.167	10	10		GECERO
Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1ccccc1Br	ZINC000262359350	645628460	/nfs/dbraw/zinc/62/84/60/645628460.db2.gz	VCEPFYGQUOXRQD-GUYCJALGSA-N	1	0	392.297	2.167	10	10		GECERO
CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@@H+]1C[C@H](C)O	ZINC000245751277	645467616	/nfs/dbraw/zinc/46/76/16/645467616.db2.gz	NWTZAYFUWYUFLY-SWLSCSKDSA-N	1	0	387.318	2.440	10	10		GECERO
COc1cccc(C[NH2+]CCn2cc(C(=O)Nc3ccccc3C)nn2)c1O	ZINC000011782232	204352758	/nfs/dbraw/zinc/35/27/58/204352758.db2.gz	ZIRJZEXEADWETN-UHFFFAOYSA-N	1	0	381.436	2.343	10	10		GECERO
C[NH+]1CCN(c2ccc(CNC(=O)c3n[nH]cc3-c3cccc(O)c3)cc2)CC1	ZINC000114914271	536421330	/nfs/dbraw/zinc/42/13/30/536421330.db2.gz	KOSOLQBEGHIVGZ-UHFFFAOYSA-N	1	0	391.475	2.464	10	10		GECERO
Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Br)ccc3O)C2=O)n(C)n1	ZINC000173849440	532036796	/nfs/dbraw/zinc/03/67/96/532036796.db2.gz	JZNCBUIQRXYQMZ-CQSZACIVSA-N	1	0	393.285	2.482	10	10		GECERO
COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O	ZINC000180225707	532262198	/nfs/dbraw/zinc/26/21/98/532262198.db2.gz	JZVIHHBOVWSCNI-DOMZBBRYSA-N	1	0	385.302	2.316	10	10		GECERO
Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)n1-c1ccccc1Br	ZINC000262359351	645628320	/nfs/dbraw/zinc/62/83/20/645628320.db2.gz	VCEPFYGQUOXRQD-SUMWQHHRSA-N	1	0	392.297	2.167	10	10		GECERO
COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000245732020	532523973	/nfs/dbraw/zinc/52/39/73/532523973.db2.gz	JZVIHHBOVWSCNI-IUODEOHRSA-N	1	0	385.302	2.316	10	10		GECERO
Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)n1-c1ccc(Br)cc1	ZINC000262308887	645625727	/nfs/dbraw/zinc/62/57/27/645625727.db2.gz	QGMUNMBAANWMRS-SUMWQHHRSA-N	1	0	392.297	2.167	10	10		GECERO
C[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H](C(N)=O)O1	ZINC000120246115	643596714	/nfs/dbraw/zinc/59/67/14/643596714.db2.gz	OXHMOXDGXQCQRX-QLJPJBMISA-N	1	0	379.254	2.383	10	10		GECERO
Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)n1-c1ccccc1Br	ZINC000262359348	645628304	/nfs/dbraw/zinc/62/83/04/645628304.db2.gz	VCEPFYGQUOXRQD-CXAGYDPISA-N	1	0	392.297	2.167	10	10		GECERO
COc1cc(Br)cc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1O	ZINC000180225726	532261731	/nfs/dbraw/zinc/26/17/31/532261731.db2.gz	JZVIHHBOVWSCNI-WFASDCNBSA-N	1	0	385.302	2.316	10	10		GECERO
Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1ccc(Br)cc1	ZINC000262308882	645625473	/nfs/dbraw/zinc/62/54/73/645625473.db2.gz	QGMUNMBAANWMRS-DYVFJYSZSA-N	1	0	392.297	2.167	10	10		GECERO
CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@@H+]1C[C@H](C)O	ZINC000245751279	645467598	/nfs/dbraw/zinc/46/75/98/645467598.db2.gz	NWTZAYFUWYUFLY-WFASDCNBSA-N	1	0	387.318	2.440	10	10		GECERO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCCSc2nccs2)CC1	ZINC000181982181	644954128	/nfs/dbraw/zinc/95/41/28/644954128.db2.gz	NFIAOZAPZVDHLH-AWEZNQCLSA-N	1	0	386.587	2.360	10	10		GECERO
C[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@@H](C(N)=O)O1	ZINC000120246290	643596625	/nfs/dbraw/zinc/59/66/25/643596625.db2.gz	OXHMOXDGXQCQRX-HWPZZCPQSA-N	1	0	379.254	2.383	10	10		GECERO
COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc4c(c(O)c3[C@@H]1[C@H]2O)OCO4	ZINC000504340873	533321532	/nfs/dbraw/zinc/32/15/32/533321532.db2.gz	NEHFHOHLVOGDCL-FGSXEWAUSA-O	1	0	386.424	2.429	10	10	in-vitro	GECERO
C[N+]1(CCCNc2ccc(O)c3c2C(=O)c2ccccc2C3=O)CCOCC1	ZINC000038613673	717126019	/nfs/dbraw/zinc/12/60/19/717126019.db2.gz	SYCPNQVSWYADQU-UHFFFAOYSA-O	1	0	381.452	2.446	10	10		GECERO
Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Br)ccc3O)C2=O)n(C)n1	ZINC000173849425	532037418	/nfs/dbraw/zinc/03/74/18/532037418.db2.gz	JZNCBUIQRXYQMZ-AWEZNQCLSA-N	1	0	393.285	2.482	10	10		GECERO
C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCCSc2nccs2)CC1	ZINC000181982203	644953982	/nfs/dbraw/zinc/95/39/82/644953982.db2.gz	NFIAOZAPZVDHLH-CQSZACIVSA-N	1	0	386.587	2.360	10	10		GECERO
Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1ccc(Br)cc1	ZINC000262308884	645625595	/nfs/dbraw/zinc/62/55/95/645625595.db2.gz	QGMUNMBAANWMRS-GUYCJALGSA-N	1	0	392.297	2.167	10	10		GECERO
COc1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000245732022	532523069	/nfs/dbraw/zinc/52/30/69/532523069.db2.gz	JZVIHHBOVWSCNI-SWLSCSKDSA-N	1	0	385.302	2.316	10	10		GECERO
Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)n1-c1cccc(Br)c1	ZINC000262109175	645617688	/nfs/dbraw/zinc/61/76/88/645617688.db2.gz	FGARVEWTKLAIBX-SUMWQHHRSA-N	1	0	392.297	2.167	10	10		GECERO
Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)n1-c1ccc(Br)cc1	ZINC000262308880	645625604	/nfs/dbraw/zinc/62/56/04/645625604.db2.gz	QGMUNMBAANWMRS-CXAGYDPISA-N	1	0	392.297	2.167	10	10		GECERO
Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1ccccc1Br	ZINC000262359349	645628499	/nfs/dbraw/zinc/62/84/99/645628499.db2.gz	VCEPFYGQUOXRQD-DYVFJYSZSA-N	1	0	392.297	2.167	10	10		GECERO
COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)NCC(C)C)nn3)C2)c(O)c1	ZINC000012040177	221145094	/nfs/dbraw/zinc/14/50/94/221145094.db2.gz	VAKWYBNYXCGFAS-INIZCTEOSA-N	1	0	387.484	2.215	10	10		GECERO
COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NCC(C)C)nn3)C2)c(O)c1	ZINC000012040172	221144959	/nfs/dbraw/zinc/14/49/59/221144959.db2.gz	VAKWYBNYXCGFAS-MRXNPFEDSA-N	1	0	387.484	2.215	10	10		GECERO
Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCN3C)CC(=O)N1C	ZINC000583620216	570800866	/nfs/dbraw/zinc/80/08/66/570800866.db2.gz	ZYTPUQBWGCMXLO-PGRDOPGGSA-N	1	0	381.524	2.338	10	10		GECERO
CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@@H+]1C[C@@H](C)O	ZINC000120692051	643622796	/nfs/dbraw/zinc/62/27/96/643622796.db2.gz	NWTZAYFUWYUFLY-IUODEOHRSA-N	1	0	387.318	2.440	10	10		GECERO