smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc[nH+]c2)[C@H]1O	ZINC000952845043	768910231	/nfs/dbraw/zinc/91/02/31/768910231.db2.gz	ZWNXCAAAINEPSF-DGXTUMSLSA-N	2	2	317.345	0.404	40	10	biogenic,in-vitro	DCCBLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(CC[N@H+](Cc3ccccc3O)C1)O2	ZINC000257300326	396045892	/nfs/dbraw/zinc/04/58/92/396045892.db2.gz	RTVJFOKPKXKGED-INIZCTEOSA-N	2	2	313.361	0.926	40	10		DCCBLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(CC[N@@H+](Cc3ccccc3O)C1)O2	ZINC000257300326	396045897	/nfs/dbraw/zinc/04/58/97/396045897.db2.gz	RTVJFOKPKXKGED-INIZCTEOSA-N	2	2	313.361	0.926	40	10		DCCBLP
Oc1cc(O)c(C[NH+]2CCOCC2)cc1C[NH+]1CCOCC1	ZINC000031637799	395707087	/nfs/dbraw/zinc/70/70/87/395707087.db2.gz	WXVVUTRWEUNGLY-UHFFFAOYSA-N	2	2	308.378	0.762	40	10		DCCBLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(CC[N@H+](Cc3ccccc3O)C1)O2	ZINC000257300327	203024729	/nfs/dbraw/zinc/02/47/29/203024729.db2.gz	RTVJFOKPKXKGED-MRXNPFEDSA-N	2	2	313.361	0.926	40	10		DCCBLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(CC[N@@H+](Cc3ccccc3O)C1)O2	ZINC000257300327	203024731	/nfs/dbraw/zinc/02/47/31/203024731.db2.gz	RTVJFOKPKXKGED-MRXNPFEDSA-N	2	2	313.361	0.926	40	10		DCCBLP
C[N@@H+]1C[C@@H]2COCCN2C2(C[NH+](Cc3ccccc3O)C2)C1	ZINC000604381223	397639098	/nfs/dbraw/zinc/63/90/98/397639098.db2.gz	FWUPROKXUIUWSD-OAHLLOKOSA-N	2	2	303.406	0.593	40	10	biogenic,in-vitro	DCCBLP
C[N@H+]1C[C@@H]2COCCN2C2(C[NH+](Cc3ccccc3O)C2)C1	ZINC000604381223	397639100	/nfs/dbraw/zinc/63/91/00/397639100.db2.gz	FWUPROKXUIUWSD-OAHLLOKOSA-N	2	2	303.406	0.593	40	10	biogenic,in-vitro	DCCBLP
Oc1cc(O)c(C[NH+]2CCOCC2)c(O)c1C[NH+]1CCOCC1	ZINC000031637802	395707353	/nfs/dbraw/zinc/70/73/53/395707353.db2.gz	ACQNKWYLFKBOGO-UHFFFAOYSA-N	2	2	324.377	0.468	40	10		DCCBLP
Oc1ccc(O)c(C[NH+]2CCOCC2)c1C[NH+]1CCOCC1	ZINC000031628928	395707185	/nfs/dbraw/zinc/70/71/85/395707185.db2.gz	VGGCCFJPNBJZIR-UHFFFAOYSA-N	2	2	308.378	0.762	40	10		DCCBLP
Oc1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCC2)[C@H]1O	ZINC000012529646	395687689	/nfs/dbraw/zinc/68/76/89/395687689.db2.gz	BPXQXZATAUVMRJ-OVYGPGRDSA-N	2	2	320.389	0.431	40	10	biogenic,in-vitro	DCCBLP