smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CNC(=O)Nc4ccccc4)c3)cc21	ZINC000036338507	563126335	/nfs/dbraw/zinc/12/63/35/563126335.db2.gz	DBBCCRSHNIGAHB-UHFFFAOYSA-N	-1	0	478.421	1.795	1	5		JDBFRM
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CNC(=O)CCc4ccccc4)c3)cc21	ZINC000036338524	563126348	/nfs/dbraw/zinc/12/63/48/563126348.db2.gz	VTWXNIYVJOMEKC-UHFFFAOYSA-N	-1	0	491.460	1.722	1	5		JDBFRM
[NH3+]CCCC[C@H](NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000049017048	563197376	/nfs/dbraw/zinc/19/73/76/563197376.db2.gz	CARWKHRLOGZWPU-AWEZNQCLSA-N	-1	0	456.502	1.769	1	5		JDBFRM
CC(/C=C/C=C(/C)C(=O)[O-])=C\C=C\C=C(C)/C=C/C=C(\C)C(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000100782986	571838831	/nfs/dbraw/zinc/83/88/31/571838831.db2.gz	ZVGODNZUEWDIPM-ZUGGEORZSA-N	-1	0	490.549	1.868	1	5	endogenous,in-man	JDBFRM
Nc1ncnc2c1nc(SCc1ccc([N+](=O)[O-])cc1)n2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O	ZINC000036488830	563130608	/nfs/dbraw/zinc/13/06/08/563130608.db2.gz	LAMUVCVUDHHGJU-XNIJJKJLSA-N	-1	0	496.398	1.383	1	5		JDBFRM
O=C([O-])c1cn(C2CC2)c2nc(N3CCN(C(=O)c4ccco4)CC3)c([N+](=O)[O-])cc2c1=O	ZINC000028867420	563083880	/nfs/dbraw/zinc/08/38/80/563083880.db2.gz	LHZIRLNCIGETPZ-UHFFFAOYSA-N	-1	0	453.411	1.893	1	5		JDBFRM
O=C([O-])[C@]1(O)Cn2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)C[C@H]1O)C(=O)NC4=O	ZINC000043121471	563167559	/nfs/dbraw/zinc/16/75/59/563167559.db2.gz	HBMVUALJSJNKQX-BZQUYTCOSA-N	-1	0	455.426	1.976	1	5		JDBFRM
CC(/C=C/C=C(/C)C(=O)[O-])=C\C=C\C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000085924694	574416870	/nfs/dbraw/zinc/41/68/70/574416870.db2.gz	ZVGODNZUEWDIPM-ORWVZUJPSA-N	-1	0	490.549	1.868	1	5	endogenous,in-man	JDBFRM
CC(/C=C/C=C(/C)C(=O)[O-])=C\C=C\C=C(C)/C=C/C=C(\C)C(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000085924689	574416876	/nfs/dbraw/zinc/41/68/76/574416876.db2.gz	ZVGODNZUEWDIPM-UOZQPABBSA-N	-1	0	490.549	1.868	1	5	endogenous,in-man	JDBFRM
CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)[O-])N2	ZINC000026935479	563037432	/nfs/dbraw/zinc/03/74/32/563037432.db2.gz	HNEVBCGJVYCVNV-SFHVURJKSA-N	-1	0	466.454	1.971	1	5		JDBFRM
CN(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)[O-])N2	ZINC000026940675	563037771	/nfs/dbraw/zinc/03/77/71/563037771.db2.gz	NJVVLFTVLHGRKR-INIZCTEOSA-N	-1	0	466.454	1.971	1	5		JDBFRM
C/C(=C/c1c([O-])ccc2c3oc4cc(O[C@@H]5OC[C@@H](O)[C@H](O)[C@@H]5O)ccc4c3c(=O)oc12)CO	ZINC000095485986	291445953	/nfs/dbraw/zinc/44/59/53/291445953.db2.gz	ABAGMVBDRGATCJ-AYCIYJAFSA-N	-1	0	470.430	1.611	1	5	biogenic,in-vitro	JDBFRM
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CC(=O)N4CCCCC4)c3)cc21	ZINC000036338515	563126343	/nfs/dbraw/zinc/12/63/43/563126343.db2.gz	HVXQKKOVOVRUQP-UHFFFAOYSA-N	-1	0	455.427	1.028	1	5		JDBFRM
CC(/C=C/C=C(/C)C(=O)[O-])=C\C=C\C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000100782985	571838834	/nfs/dbraw/zinc/83/88/34/571838834.db2.gz	ZVGODNZUEWDIPM-VLGIOMCCSA-N	-1	0	490.549	1.868	1	5	endogenous,in-man	JDBFRM
O=C([O-])CNS(=O)(=O)c1ccc(NNC(=S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1	ZINC000027756477	563051339	/nfs/dbraw/zinc/05/13/39/563051339.db2.gz	IMEISWIFMFMJMB-UHFFFAOYSA-N	-1	0	492.539	1.473	1	5		JDBFRM