smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1([O-])CC=C(c2ccccc2)CC1	902155	560179992	/nfs/dbraw/zinc/17/99/92/560179992.db2.gz	FZVSMNOAJGWONA-UHFFFAOYSA-N	0	0	189.258	2.418	1	5	in-vitro	AEBFRN
Nc1nc2ccncc2c2ccccc12	169350065	169307798	/nfs/dbraw/zinc/30/77/98/169307798.db2.gz	WZLNCFWMARKSSU-UHFFFAOYSA-N	0	0	195.225	2.365	1	5		AEBFRN
Nc1nc2cccnc2c2ccccc12	169350064	169308355	/nfs/dbraw/zinc/30/83/55/169308355.db2.gz	GVKWFALVTZVTCQ-UHFFFAOYSA-N	0	0	195.225	2.365	1	5		AEBFRN
O=c1ccc2ccc3ccccn3c-2c1	384120	169458318	/nfs/dbraw/zinc/45/83/18/169458318.db2.gz	PGMYAFHGARCXKK-UHFFFAOYSA-O	0	0	196.229	2.284	3	5		AEBFRN
[O-][N+]12CCCc3cccc(c31)CCC2	72141292	171109043	/nfs/dbraw/zinc/10/90/43/171109043.db2.gz	SMVPAJMKZZONTO-UHFFFAOYSA-N	0	0	189.258	2.384	1	5		AEBFRN
c1cnc2cc3nccnc3cc2c1	73224766	171111850	/nfs/dbraw/zinc/11/18/50/171111850.db2.gz	QPZHKYGYNKCVMO-UHFFFAOYSA-N	0	0	181.198	2.178	1	5		AEBFRN
C[N+](C)(C)Cc1ccc([S-])cc1	40631367	717127379	/nfs/dbraw/zinc/12/73/79/717127379.db2.gz	CPSXLHSBOCYTLX-UHFFFAOYSA-O	0	0	182.312	2.182	1	5		AEBFRN
Cc1cncc([C@@H]2CCC[N+]2(C)[O-])c1	169698953	717157186	/nfs/dbraw/zinc/15/71/86/717157186.db2.gz	SSOPKRVBQDAWGW-AMGKYWFPSA-N	0	0	192.262	2.169	1	5		AEBFRN
C[C@@H]1C[N+](C)([O-])C[C@@H]2[C@@H](C)CC[C@H]12	238776018	717163020	/nfs/dbraw/zinc/16/30/20/717163020.db2.gz	RZJCIMUIRXKJCI-MHTWJZCWSA-N	0	0	183.295	2.243	1	5		AEBFRN
Cc1cncc([C@@H]2CCC[N@@+]2(C)[O-])c1	261170020	717179032	/nfs/dbraw/zinc/17/90/32/717179032.db2.gz	SSOPKRVBQDAWGW-WCQYABFASA-N	0	0	192.262	2.169	1	5		AEBFRN
Cc1cncc([C@@H]2CCC[N@+]2(C)[O-])c1	261170019	717179148	/nfs/dbraw/zinc/17/91/48/717179148.db2.gz	SSOPKRVBQDAWGW-AAEUAGOBSA-N	0	0	192.262	2.169	1	5		AEBFRN