smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NC(=O)[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000012629354	570692435	/nfs/dbraw/zinc/69/24/35/570692435.db2.gz	FJXYACKOJLQMNP-FQEVSTJZSA-N	2	2	393.447	3.459	10	5		GGBELP
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1	ZINC000156469879	1423814468	/nfs/dbraw/zinc/81/44/68/1423814468.db2.gz	CCAPPZXHSBOUMH-ZQIUZPCESA-N	2	2	382.424	3.485	10	5		GGBELP
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1	ZINC000156469879	1423814469	/nfs/dbraw/zinc/81/44/69/1423814469.db2.gz	CCAPPZXHSBOUMH-ZQIUZPCESA-N	2	2	382.424	3.485	10	5		GGBELP
O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)o2)c(Br)c1	ZINC000596103378	567609013	/nfs/dbraw/zinc/60/90/13/567609013.db2.gz	JXOORDLCUFHPHR-UHFFFAOYSA-N	2	2	392.253	3.459	10	5		GGBELP
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1	ZINC000156469758	1423814248	/nfs/dbraw/zinc/81/42/48/1423814248.db2.gz	CCAPPZXHSBOUMH-KEYYUXOJSA-N	2	2	382.424	3.485	10	5		GGBELP
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1	ZINC000156469758	1423814249	/nfs/dbraw/zinc/81/42/49/1423814249.db2.gz	CCAPPZXHSBOUMH-KEYYUXOJSA-N	2	2	382.424	3.485	10	5		GGBELP
Cc1ccc(NC(=O)[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000012629357	221215351	/nfs/dbraw/zinc/21/53/51/221215351.db2.gz	FJXYACKOJLQMNP-HXUWFJFHSA-N	2	2	393.447	3.459	10	5		GGBELP
Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000084114698	211167427	/nfs/dbraw/zinc/16/74/27/211167427.db2.gz	VGNWPLRCPJLGGN-SFHVURJKSA-N	2	2	383.452	3.025	10	5		GGBELP
Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000084114697	222315159	/nfs/dbraw/zinc/31/51/59/222315159.db2.gz	VGNWPLRCPJLGGN-GOSISDBHSA-N	2	2	383.452	3.025	10	5		GGBELP