smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C[C@@H]2ON=C(Cc3ccc(N)cc3)[C@@H]2C1	ZINC000169358344	173198682	/nfs/dbraw/zinc/19/86/82/173198682.db2.gz	ZZLLYRQSLXFNKI-AAEUAGOBSA-N	0	1	231.299	1.128	1	10		BDCFMN
CCCCC=C[N+](=O)[N-][C@H](C)[C@H](O)CO	ZINC000001537115	560181963	/nfs/dbraw/zinc/18/19/63/560181963.db2.gz	JKVDUVLJIHYDPA-OJSREMRVSA-N	0	1	216.281	1.395	1	10	biogenic,in-vitro	BDCFMN
CN(C(=O)C1(C([O-])=C[N+]#N)CC1)c1ccccc1	ZINC000005836993	188102745	/nfs/dbraw/zinc/10/27/45/188102745.db2.gz	CAEZADPXYXIKNG-UHFFFAOYSA-N	0	1	243.266	1.299	1	10		BDCFMN
O=c1c2ccccc2[nH]c2cc(O)c(O)c(O)c21	ZINC000014774871	560226085	/nfs/dbraw/zinc/22/60/85/560226085.db2.gz	HTCPQSUPNINIOJ-UHFFFAOYSA-N	0	1	243.218	1.798	1	10	biogenic,in-vitro	BDCFMN
O=c1cccc2n1C[C@@H]1CCC[N@H+]3CCC=C2[C@H]13	ZINC000033830589	560088752	/nfs/dbraw/zinc/08/87/52/560088752.db2.gz	POPJONPBVXYYED-NHYWBVRUSA-N	0	1	242.322	1.730	1	10	biogenic,in-vitro	BDCFMN
N#[N+]C=C([O-])[C@@H]1CCCN1C(=O)c1ccccc1	ZINC000005940902	183317977	/nfs/dbraw/zinc/31/79/77/183317977.db2.gz	JSKFTTQKBUBZEA-NSHDSACASA-N	0	1	243.266	1.161	1	10		BDCFMN
Cn1nccc1-c1cc(O)c(O)c([N+](=O)[O-])c1	ZINC000049112009	180828477	/nfs/dbraw/zinc/82/84/77/180828477.db2.gz	DDLXVNSPXFKMTK-UHFFFAOYSA-N	0	1	235.199	1.407	1	10		BDCFMN
CN1C[C@H]2ON=C(Cc3ccc(N)cc3)[C@@H]2C1	ZINC000073142389	173199443	/nfs/dbraw/zinc/19/94/43/173199443.db2.gz	ZZLLYRQSLXFNKI-WCQYABFASA-N	0	1	231.299	1.128	1	10		BDCFMN
N#[N+]C=C([O-])[C@H]1CCCN1C(=O)c1ccccc1	ZINC000017224464	183317981	/nfs/dbraw/zinc/31/79/81/183317981.db2.gz	JSKFTTQKBUBZEA-LLVKDONJSA-N	0	1	243.266	1.161	1	10		BDCFMN
COC(=O)c1ccc([N+](=O)[N-]C#N)cc1	ZINC000070454295	560048482	/nfs/dbraw/zinc/04/84/82/560048482.db2.gz	QDHKYOBUPUKGPM-QXMHVHEDSA-N	0	1	205.173	1.548	1	10	biogenic,in-vitro	BDCFMN