smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCn1ccc2nc3ccn(-c4n[nH]c(COC)n4)c(=O)c3cc2c1=O	ZINC000040398982	205064116	/nfs/dbraw/zinc/06/41/16/205064116.db2.gz	SZEAMPXFDBVSSE-UHFFFAOYSA-N	0	1	382.380	0.612	40	5		GCBBMN
CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801091	1199880009	/nfs/dbraw/zinc/88/00/09/1199880009.db2.gz	DXQOVPBJFJXDFY-LSDHHAIUSA-N	0	1	389.412	0.548	40	5		GCBBMN
Cc1nc(O)c(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)N=C(C)NC2=O)c(=O)[nH]1	ZINC000016363267	570331920	/nfs/dbraw/zinc/33/19/20/570331920.db2.gz	KHJAQXAKIINCJD-UHFFFAOYSA-N	0	1	385.336	0.970	40	5		GCBBMN
CCOC(=O)[C@H]1C([O-])=NC(N2CCN(C)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801087	1199879620	/nfs/dbraw/zinc/87/96/20/1199879620.db2.gz	DXQOVPBJFJXDFY-HUUCEWRRSA-N	0	1	389.412	0.548	40	5		GCBBMN
Cc1nc(O)c(C(c2ccccc2[N+](=O)[O-])C2C(=O)N=C(C)NC2=O)c(=O)[nH]1	ZINC000016363281	210188037	/nfs/dbraw/zinc/18/80/37/210188037.db2.gz	HIBSLUOWIXXPEL-UHFFFAOYSA-N	0	1	385.336	0.970	40	5		GCBBMN
CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801099	1199879548	/nfs/dbraw/zinc/87/95/48/1199879548.db2.gz	DXQOVPBJFJXDFY-GJZGRUSLSA-N	0	1	389.412	0.548	40	5		GCBBMN
CCOC(=O)[C@H]1C([O-])=NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801095	1199879807	/nfs/dbraw/zinc/87/98/07/1199879807.db2.gz	DXQOVPBJFJXDFY-CABCVRRESA-N	0	1	389.412	0.548	40	5		GCBBMN
O=c1[nH]/c(=C\c2ccccc2[N+](=O)[O-])c(=O)[nH]/c1=C\c1ccccc1[N+](=O)[O-]	ZINC000003173355	1199994607	/nfs/dbraw/zinc/99/46/07/1199994607.db2.gz	LSZORODYBADFLT-FOIMCPNXSA-N	0	1	380.316	0.537	40	5		GCBBMN
COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)N(C)C1=S	ZINC000409213369	533500907	/nfs/dbraw/zinc/50/09/07/533500907.db2.gz	TUXQLSWMKYXZDF-YHYXMXQVSA-N	0	1	381.366	0.882	40	5		GCBBMN