smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc(C[N@@H+]2CCc3ncnc(N4CC5(CC[NH2+]CC5)c5c4cccc5-c4cccnc4)c3C2)cc1	ZINC001164903156	721568380	/nfs/dbraw/zinc/56/83/80/721568380.db2.gz	BBOJYSUGHAAGLM-UHFFFAOYSA-N	2	2	488.639	4.870	20	10		JJCDLP
c1ccc(C[N@H+]2CCc3ncnc(N4CC5(CC[NH2+]CC5)c5c4cccc5-c4cccnc4)c3C2)cc1	ZINC001164903156	721568382	/nfs/dbraw/zinc/56/83/82/721568382.db2.gz	BBOJYSUGHAAGLM-UHFFFAOYSA-N	2	2	488.639	4.870	20	10		JJCDLP
CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(Br)c4ccccc4n3C)cc2F)CC1	ZINC001461155628	1067790638	/nfs/dbraw/zinc/79/06/38/1067790638.db2.gz	IXQSWTCKCRYWEO-UHFFFAOYSA-N	2	2	459.407	4.512	20	10		JJCDLP
COc1ccc(N2CC[NH+](C[C@@H](C[N@H+](C)Cc3ccccc3)c3ccccc3)CC2)c(OC)c1	ZINC001460651578	1067687253	/nfs/dbraw/zinc/68/72/53/1067687253.db2.gz	NNAKQFMISMUROU-AREMUKBSSA-N	2	2	459.634	4.742	20	10		JJCDLP
COc1ccc(N2CC[NH+](C[C@@H](C[N@@H+](C)Cc3ccccc3)c3ccccc3)CC2)c(OC)c1	ZINC001460651578	1067687259	/nfs/dbraw/zinc/68/72/59/1067687259.db2.gz	NNAKQFMISMUROU-AREMUKBSSA-N	2	2	459.634	4.742	20	10		JJCDLP
COc1ccc(N2CC[NH+](C[C@H](C[N@H+](C)Cc3ccccc3)c3ccccc3)CC2)c(OC)c1	ZINC001460651582	1067687232	/nfs/dbraw/zinc/68/72/32/1067687232.db2.gz	NNAKQFMISMUROU-SANMLTNESA-N	2	2	459.634	4.742	20	10		JJCDLP
COc1ccc(N2CC[NH+](C[C@H](C[N@@H+](C)Cc3ccccc3)c3ccccc3)CC2)c(OC)c1	ZINC001460651582	1067687235	/nfs/dbraw/zinc/68/72/35/1067687235.db2.gz	NNAKQFMISMUROU-SANMLTNESA-N	2	2	459.634	4.742	20	10		JJCDLP