smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4ccccc43)[C@H]2C[C@H]1/C(=C/OC)C(=O)OC	ZINC000238762007	717162684	/nfs/dbraw/zinc/16/26/84/717162684.db2.gz	UQZWROIYWUBTCH-ZDFWHOCNSA-N	0	0	400.475	2.713	1	5		HFBFRN
COc1ccc2c(=O)c3c(O)cc(OC)c([C@@H](O)[C@@H]4OC4(C)C)c3n(C)c2c1OC	ZINC000014587141	571712769	/nfs/dbraw/zinc/71/27/69/571712769.db2.gz	IPKWOZPFADULKT-CTNGQTDRSA-N	0	0	415.442	2.634	1	5	endogenous,in-man	HFBFRN
COc1ccc2c(=O)c3c(O)cc(OC)c([C@@H](O)[C@H]4OC4(C)C)c3n(C)c2c1OC	ZINC000014587144	571712842	/nfs/dbraw/zinc/71/28/42/571712842.db2.gz	IPKWOZPFADULKT-TZIWHRDSSA-N	0	0	415.442	2.634	1	5	endogenous,in-man	HFBFRN
COc1ccc2c(=O)c3c(O)cc(OC)c([C@H](O)[C@@H]4OC4(C)C)c3n(C)c2c1OC	ZINC000014587143	571712954	/nfs/dbraw/zinc/71/29/54/571712954.db2.gz	IPKWOZPFADULKT-FPOVZHCZSA-N	0	0	415.442	2.634	1	5	endogenous,in-man	HFBFRN
COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N+]3([O-])CCc4c([nH]c5cccc(OC)c54)[C@@H]3C[C@@H]21	ZINC000014827796	717111306	/nfs/dbraw/zinc/11/13/06/717111306.db2.gz	SANIGXXUGRLAGR-NUFXHPDGSA-N	0	0	400.475	2.668	1	5		HFBFRN
C[N+](C)([O-])CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc13	ZINC000101321773	717144925	/nfs/dbraw/zinc/14/49/25/717144925.db2.gz	RJCBTCWMRKLWNM-UHFFFAOYSA-N	0	0	402.252	2.582	1	5		HFBFRN
C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N=C3[C@@H]2C[C@@H]1[C@]4(COC(C)=O)C(=O)OC	ZINC000033830933	717122001	/nfs/dbraw/zinc/12/20/01/717122001.db2.gz	NOAKEBKHIHDDFB-JJRBHSFRSA-N	0	0	410.470	2.800	1	5		HFBFRN
CCn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)c2ccc(C)nc21	ZINC000004659993	536027529	/nfs/dbraw/zinc/02/75/29/536027529.db2.gz	FKSIUVAWMIFHPV-UHFFFAOYSA-N	0	0	421.457	2.595	3	5		HFBFRN
CC[C@@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4ccccc43)[C@H]2C[C@H]1/C(=C\OC)C(=O)OC	ZINC000238759082	717162705	/nfs/dbraw/zinc/16/27/05/717162705.db2.gz	UQZWROIYWUBTCH-MOBSCEQFSA-N	0	0	400.475	2.713	1	5		HFBFRN
CC[C@H]1C[N+]2([O-])CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC	ZINC000033832491	291220172	/nfs/dbraw/zinc/22/01/72/291220172.db2.gz	UQZWROIYWUBTCH-JYKZDLLSSA-N	0	0	400.475	2.713	1	5	biogenic,in-vitro	HFBFRN
CC[C@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC	ZINC000033832490	291220190	/nfs/dbraw/zinc/22/01/90/291220190.db2.gz	UQZWROIYWUBTCH-NBCBOINISA-N	0	0	400.475	2.713	1	5	biogenic,in-vitro	HFBFRN
CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000971077	568758958	/nfs/dbraw/zinc/75/89/58/568758958.db2.gz	LTAJSQLTORSAHL-BMQTXXJKSA-N	0	0	421.446	2.538	1	5		HFBFRN
CCCCO[C@H](COCc1c(C)noc1C)CO[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000040915885	717127874	/nfs/dbraw/zinc/12/78/74/717127874.db2.gz	BHVGVGRJFCTIIR-QGZVFWFLSA-O	0	0	423.467	2.833	1	5		HFBFRN
CCCCO[C@@H](COCc1c(C)noc1C)CO[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000040915883	717128099	/nfs/dbraw/zinc/12/80/99/717128099.db2.gz	BHVGVGRJFCTIIR-KRWDZBQOSA-O	0	0	423.467	2.833	1	5		HFBFRN
COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N+]3([O-])CCc4c([nH]c5cccc(OC)c54)[C@H]3C[C@@H]21	ZINC000238785134	717163520	/nfs/dbraw/zinc/16/35/20/717163520.db2.gz	SANIGXXUGRLAGR-BXUFFXRESA-N	0	0	400.475	2.668	1	5		HFBFRN
C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N=C3[C@@H]2C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC	ZINC000033830932	291214143	/nfs/dbraw/zinc/21/41/43/291214143.db2.gz	NOAKEBKHIHDDFB-BUKIUNNGSA-N	0	0	410.470	2.800	1	5	biogenic,in-vitro	HFBFRN
CC[C@H]1C[N+]2([O-])CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC	ZINC000014686823	717110607	/nfs/dbraw/zinc/11/06/07/717110607.db2.gz	UQZWROIYWUBTCH-WULIRTLPSA-N	0	0	400.475	2.713	1	5		HFBFRN
CC[C@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC	ZINC000238732026	717162370	/nfs/dbraw/zinc/16/23/70/717162370.db2.gz	UQZWROIYWUBTCH-MMCPEOGESA-N	0	0	400.475	2.713	1	5		HFBFRN
COc1ccc2c(=O)c3c(O)cc(OC)c([C@H](O)[C@H]4OC4(C)C)c3n(C)c2c1OC	ZINC000014587146	571712819	/nfs/dbraw/zinc/71/28/19/571712819.db2.gz	IPKWOZPFADULKT-PZJWPPBQSA-N	0	0	415.442	2.634	1	5	endogenous,in-man	HFBFRN
CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000169295989	569065650	/nfs/dbraw/zinc/06/56/50/569065650.db2.gz	AQIDWBRXCNUVNG-NEYJZJCJSA-N	0	0	421.446	2.538	1	5		HFBFRN
CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000169300264	569065634	/nfs/dbraw/zinc/06/56/34/569065634.db2.gz	LTAJSQLTORSAHL-NEYJZJCJSA-N	0	0	421.446	2.538	1	5		HFBFRN
CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000003614056	568919840	/nfs/dbraw/zinc/91/98/40/568919840.db2.gz	AQIDWBRXCNUVNG-BMQTXXJKSA-N	0	0	421.446	2.538	1	5		HFBFRN