smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020970457	525229776	/nfs/dbraw/zinc/22/97/76/525229776.db2.gz	KLCWBSIKIOAYMG-QHCPKHFHSA-N	1	2	439.475	5.181	40	5		IKBBLO
Cc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020970453	525231239	/nfs/dbraw/zinc/23/12/39/525231239.db2.gz	KLCWBSIKIOAYMG-HSZRJFAPSA-N	1	2	439.475	5.181	40	5		IKBBLO
O=C(CN(c1ccc(Br)cc1)C1=[NH+]CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000016768873	569161524	/nfs/dbraw/zinc/16/15/24/569161524.db2.gz	UKJNXTJRHWGGTG-UHFFFAOYSA-N	1	2	430.302	5.019	40	5		IKBBLO
CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C	ZINC000254485638	569273803	/nfs/dbraw/zinc/27/38/03/569273803.db2.gz	IWWWBRIIGAXLCJ-UHFFFAOYSA-N	1	2	442.559	6.351	40	5		IKBBLO
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c3ccccc3[nH+]c2N1	ZINC000020969986	520806054	/nfs/dbraw/zinc/80/60/54/520806054.db2.gz	YVGKLCRKQPKXKL-QFIPXVFZSA-N	1	2	443.438	5.011	40	5		IKBBLO
CCCC1=C(C(=O)OCC)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c([nH+]c3ccccc32)N1	ZINC000013634948	556704643	/nfs/dbraw/zinc/70/46/43/556704643.db2.gz	JFHMKNQSBJYEPZ-HXUWFJFHSA-N	1	2	440.887	5.230	40	5		IKBBLO
CCCC1=C(C(=O)OCC)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c([nH+]c3ccccc32)N1	ZINC000013634951	556704746	/nfs/dbraw/zinc/70/47/46/556704746.db2.gz	JFHMKNQSBJYEPZ-FQEVSTJZSA-N	1	2	440.887	5.230	40	5		IKBBLO
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2c3ccccc3[nH+]c2N1	ZINC000020969978	520804798	/nfs/dbraw/zinc/80/47/98/520804798.db2.gz	VXHMVMKMWANUBK-QFIPXVFZSA-N	1	2	443.438	5.011	40	5		IKBBLO
Cc1[nH+]cc(NC(=O)c2cccc([N+](=O)[O-])c2)n1-c1nc(-c2ccc(Cl)cc2)cs1	ZINC000041124342	527301079	/nfs/dbraw/zinc/30/10/79/527301079.db2.gz	RZNLVBWPBNLKGD-UHFFFAOYSA-N	1	2	439.884	5.118	40	5		IKBBLO
Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020797364	525023454	/nfs/dbraw/zinc/02/34/54/525023454.db2.gz	OCXXMMIYTJWCJZ-HSZRJFAPSA-N	1	2	439.475	5.181	40	5		IKBBLO
O=C(CN(c1ccc(Br)cc1)C1=[NH+]CCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000016768621	557155846	/nfs/dbraw/zinc/15/58/46/557155846.db2.gz	FJPRJPDRMXEKQW-UHFFFAOYSA-N	1	2	430.302	5.019	40	5		IKBBLO
Cc1[nH+]cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1-c1nc(-c2ccccc2)cs1	ZINC000035682925	527299145	/nfs/dbraw/zinc/29/91/45/527299145.db2.gz	SBZMPGKHIFRGON-UHFFFAOYSA-N	1	2	439.884	5.118	40	5		IKBBLO
O=S(=O)(Nc1nccs1)c1ccc(NCc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000005485892	556056157	/nfs/dbraw/zinc/05/61/57/556056157.db2.gz	KWIXSBYLTITJIX-UHFFFAOYSA-N	1	2	446.557	5.257	40	5		IKBBLO
Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000020797376	525022768	/nfs/dbraw/zinc/02/27/68/525022768.db2.gz	XEVTXUWZEFGNFU-QHCPKHFHSA-N	1	2	439.475	5.181	40	5		IKBBLO
Cc1[nH+]cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1-c1nc(-c2ccc(C)cc2)cs1	ZINC000041124336	527301525	/nfs/dbraw/zinc/30/15/25/527301525.db2.gz	UPWHODYOVIDOQR-UHFFFAOYSA-N	1	2	433.493	5.082	40	5		IKBBLO
CN1c2ccccc2C(C)(C)C1=CC=[NH+]c1cc2c3ccccc3ccc2c2ccccc12	ZINC000017120306	556668396	/nfs/dbraw/zinc/66/83/96/556668396.db2.gz	GQLFYTAMIQKTAO-UHFFFAOYSA-O	1	2	427.571	7.778	40	5		IKBBLO
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c3ccccc3[nH+]c2N1	ZINC000020969982	520803895	/nfs/dbraw/zinc/80/38/95/520803895.db2.gz	YVGKLCRKQPKXKL-JOCHJYFZSA-N	1	2	443.438	5.011	40	5		IKBBLO
Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000020797372	525021898	/nfs/dbraw/zinc/02/18/98/525021898.db2.gz	XEVTXUWZEFGNFU-HSZRJFAPSA-N	1	2	439.475	5.181	40	5		IKBBLO
O=[N+]([O-])c1ccc(Nc2cccc3c4cc[nH+]c(-c5ccccc5)c4[nH]c32)c([N+](=O)[O-])c1	ZINC000005615727	556832697	/nfs/dbraw/zinc/83/26/97/556832697.db2.gz	WYNMZEUJBBVCHQ-UHFFFAOYSA-N	1	2	425.404	5.943	40	5		IKBBLO
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2c3ccccc3[nH+]c2N1	ZINC000020969974	520804726	/nfs/dbraw/zinc/80/47/26/520804726.db2.gz	VXHMVMKMWANUBK-JOCHJYFZSA-N	1	2	443.438	5.011	40	5		IKBBLO
Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020797368	525022294	/nfs/dbraw/zinc/02/22/94/525022294.db2.gz	OCXXMMIYTJWCJZ-QHCPKHFHSA-N	1	2	439.475	5.181	40	5		IKBBLO