smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(C(=N[O-])C(=O)[O-])cs1	255004223	169304461	/nfs/dbraw/zinc/30/44/61/169304461.db2.gz	URGSBEYHHRKMJL-UHFFFAOYSA-N	-2	3	187.180	-0.012	40	30		ABEBHL
Nc1nc(/C(=N\[O-])C(=O)[O-])cs1	5161637	169305106	/nfs/dbraw/zinc/30/51/06/169305106.db2.gz	URGSBEYHHRKMJL-FPYGCLRLSA-N	-2	3	187.180	-0.012	40	30		ABEBHL
[O-]/N=C1/C(/C=N/[O-])=NO/C1=N/O	100922364	169314663	/nfs/dbraw/zinc/31/46/63/169314663.db2.gz	MUSJQOCVOMJUNH-MDYVDHJRSA-N	-2	3	172.100	-0.550	40	30		ABEBHL
[O-]/N=C/C1=NOC(=N/[O-])/C1=N\O	100922364	169314664	/nfs/dbraw/zinc/31/46/64/169314664.db2.gz	MUSJQOCVOMJUNH-MDYVDHJRSA-N	-2	3	172.100	-0.550	40	30		ABEBHL
C[S+](C)c1c([O-])[n-]c([O-])nc1=O	5049523	171014514	/nfs/dbraw/zinc/01/45/14/171014514.db2.gz	WGFJAEKXHQOQRQ-UHFFFAOYSA-O	-2	3	189.216	-0.994	40	30		ABEBHL
O=C([O-])/C(Cc1cn[n-]n1)=N/O	4879418	171014744	/nfs/dbraw/zinc/01/47/44/171014744.db2.gz	PMFKQZGFOMVNMB-XBXARRHUSA-N	-2	3	170.128	-0.738	40	30	in-vitro	ABEBHL
O=C([O-])C(Cc1cn[n-]n1)=NO	29589874	171048919	/nfs/dbraw/zinc/04/89/19/171048919.db2.gz	PMFKQZGFOMVNMB-YWEYNIOJSA-N	-2	3	170.128	-0.738	40	30	in-vitro	ABEBHL
N#CCCN[C@@H](CC(=O)[O-])C(=O)[O-]	1733664	171163243	/nfs/dbraw/zinc/16/32/43/171163243.db2.gz	ZXILGGRQFZQBAP-YFKPBYRVSA-N	-2	3	186.167	-0.582	40	30		ABEBHL
O=[N+]([O-])C(C=N[O-])=N[N-]c1nc[nH]n1	5670165	351346433	/nfs/dbraw/zinc/34/64/33/351346433.db2.gz	VVAWBMDYLNFOQG-ZDCAJGCJSA-N	-2	3	199.130	-0.733	40	30		ABEBHL
N#CCCN[C@H](CC(=O)[O-])C(=O)[O-]	6157425	351351409	/nfs/dbraw/zinc/35/14/09/351351409.db2.gz	ZXILGGRQFZQBAP-RXMQYKEDSA-N	-2	3	186.167	-0.582	40	30		ABEBHL
CCOC(=O)C(C)=NN=c1[n-]nn[n-]1	5053145	537776501	/nfs/dbraw/zinc/77/65/01/537776501.db2.gz	NXQWAZZMMXYKTJ-DAXSKMNVSA-N	-2	3	198.186	-0.449	40	30		ABEBHL