smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)o1	ZINC000095591235	132215998	/nfs/dbraw/zinc/21/59/98/132215998.db2.gz	XXBBBKLXCPUIKO-UHFFFAOYSA-N	1	1	373.456	4.718	1	10		FJCFMO
COc1ccc2c(c1)[C@]1(CC=C(C)C)CC[N@@H+](C)[C@@H]1N2Cc1ccccc1	ZINC000040845220	205082762	/nfs/dbraw/zinc/08/27/62/205082762.db2.gz	JPVMUILNRYSVCX-RPWUZVMVSA-N	1	1	362.517	4.971	1	10		FJCFMO
COc1ccc2c(c1)[C@]1(CC=C(C)C)CC[N@H+](C)[C@@H]1N2Cc1ccccc1	ZINC000040845220	205082767	/nfs/dbraw/zinc/08/27/67/205082767.db2.gz	JPVMUILNRYSVCX-RPWUZVMVSA-N	1	1	362.517	4.971	1	10		FJCFMO
COc1ccc2[nH]c3cc([N+](=O)[O-])ccc3c(=[NH+]Nc3ccccc3)c2c1	ZINC000005581258	204216938	/nfs/dbraw/zinc/21/69/38/204216938.db2.gz	WGFIQRJRSMXFIZ-UHFFFAOYSA-N	1	1	360.373	4.744	1	10		FJCFMO
COc1ccc(NC(=S)NNc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000038267574	205040160	/nfs/dbraw/zinc/04/01/60/205040160.db2.gz	PZQXACSMXZECIU-UHFFFAOYSA-N	1	1	374.469	4.710	1	10		FJCFMO
COc1ccc2c(c1)[C@@]1(CC=C(C)C)CC[N@@H+](C)[C@@H]1N2Cc1ccccc1	ZINC000040845221	205083425	/nfs/dbraw/zinc/08/34/25/205083425.db2.gz	JPVMUILNRYSVCX-DNQXCXABSA-N	1	1	362.517	4.971	1	10		FJCFMO
COc1ccc2c(c1)[C@@]1(CC=C(C)C)CC[N@H+](C)[C@@H]1N2Cc1ccccc1	ZINC000040845221	205083427	/nfs/dbraw/zinc/08/34/27/205083427.db2.gz	JPVMUILNRYSVCX-DNQXCXABSA-N	1	1	362.517	4.971	1	10		FJCFMO
Nc1ccc(NC(=O)c2ccc(Nc3cc[nH+]c4ccccc34)cc2)cc1	ZINC000103245319	209249716	/nfs/dbraw/zinc/24/97/16/209249716.db2.gz	UCIZEGZPSMUBGV-UHFFFAOYSA-N	1	1	354.413	4.813	1	10		FJCFMO
CC[N@H+]1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000042989613	208298389	/nfs/dbraw/zinc/29/83/89/208298389.db2.gz	LXMBBFMKKSPIBR-HXUWFJFHSA-N	1	1	373.452	4.613	1	10	in-vitro	FJCFMO