smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc(CC(C)C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000045393282	205121215	/nfs/dbraw/zinc/12/12/15/205121215.db2.gz	WUVBBGWNBMGGLP-UHFFFAOYSA-N	-1	0	357.410	4.705	1	5		FJBFRM
COc1cc2oc(=O)c3c4ccc(O)cc4oc3c2c([O-])c1CC=C(C)C	ZINC000033831464	291084972	/nfs/dbraw/zinc/08/49/72/291084972.db2.gz	PVKQULHHWVQXLE-UHFFFAOYSA-N	-1	0	366.369	4.621	1	5	biogenic,in-vitro	FJBFRM
COc1ccc2c(oc3c2c(=O)oc2cc([O-])ccc32)c1CC=C(C)C	ZINC000049088338	205169261	/nfs/dbraw/zinc/16/92/61/205169261.db2.gz	IPNXSQTYICCBKP-UHFFFAOYSA-N	-1	0	350.370	4.915	1	5		FJBFRM
O=C([O-])c1cc2c(cccc2[N+](=O)[O-])n1Cc1ccc(Cl)c(Cl)c1	ZINC000013588870	211041659	/nfs/dbraw/zinc/04/16/59/211041659.db2.gz	NJBLUMDRPYYYHE-UHFFFAOYSA-N	-1	0	365.172	4.603	1	5		FJBFRM
O=[N+]([O-])c1ccc(-c2nnc([N-]c3nc4ccc(Cl)cc4s3)o2)cc1	ZINC000098082608	222226604	/nfs/dbraw/zinc/22/66/04/222226604.db2.gz	ZCVSEHIFOBRGCI-UHFFFAOYSA-N	-1	0	373.781	4.652	1	5		FJBFRM
O=c1c2c[n-]c3c4ccccc4sc3c-2nn1-c1ccc(Cl)cc1	ZINC000137548913	209377287	/nfs/dbraw/zinc/37/72/87/209377287.db2.gz	QIMXRGIGYKTFMR-UHFFFAOYSA-N	-1	0	351.818	4.735	1	5		FJBFRM
O=C([O-])c1cc2c([nH]1)c([N+](=O)[O-])ccc2Nc1ccc(C(F)(F)F)cc1	ZINC000103244229	209249870	/nfs/dbraw/zinc/24/98/70/209249870.db2.gz	ALOWQADTHIOASP-UHFFFAOYSA-N	-1	0	365.267	4.537	1	5		FJBFRM
O=C([O-])c1cc2cccc([N+](=O)[O-])c2n1Cc1ccc(Cl)c(Cl)c1	ZINC000013588873	220076935	/nfs/dbraw/zinc/07/69/35/220076935.db2.gz	PJWWFTRGEFUNAD-UHFFFAOYSA-N	-1	0	365.172	4.603	1	5		FJBFRM
O=C([O-])c1ccc2c(c1)nc(Oc1cccc(Cl)c1)c1ccncc21	ZINC000073219188	221561478	/nfs/dbraw/zinc/56/14/78/221561478.db2.gz	PMIJZUTXMUIHNA-UHFFFAOYSA-N	-1	0	350.761	4.927	1	5		FJBFRM
Cc1ccc(S(=O)(=O)c2cc(O)c3cc4ccccc4cc3c2[O-])cc1	ZINC000040835989	220922936	/nfs/dbraw/zinc/92/29/36/220922936.db2.gz	DKOISANXNBXJMG-UHFFFAOYSA-N	-1	0	364.422	4.545	1	5	in-vivo	FJBFRM
O=C([O-])c1ccc2c(c1)nc(NCCCc1ccccc1)c1ccncc21	ZINC000066112502	221241644	/nfs/dbraw/zinc/24/16/44/221241644.db2.gz	MQGOUXWJBHWTTJ-UHFFFAOYSA-N	-1	0	357.413	4.526	1	5		FJBFRM
Cc1ncc2c3ccc(C(=O)[O-])cc3nc(Nc3cccc(Cl)c3)c2n1	ZINC000066112430	221241949	/nfs/dbraw/zinc/24/19/49/221241949.db2.gz	YIYHYBQXZRHMJC-UHFFFAOYSA-N	-1	0	364.792	4.582	1	5		FJBFRM
O=C([O-])c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)c(Cl)c1	ZINC000013588871	220076964	/nfs/dbraw/zinc/07/69/64/220076964.db2.gz	YTXZWIOUWVRTFN-UHFFFAOYSA-N	-1	0	365.172	4.603	1	5		FJBFRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccc(CCc2ccccc2)cc1	ZINC000040935016	208274132	/nfs/dbraw/zinc/27/41/32/208274132.db2.gz	CJEIRWQLNMMBHR-UHFFFAOYSA-N	-1	0	362.385	4.822	1	5		FJBFRM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])Nc1ccccc1Oc1ccccc1	ZINC000045201029	208327490	/nfs/dbraw/zinc/32/74/90/208327490.db2.gz	MHEWCJHSRKVNIF-UHFFFAOYSA-N	-1	0	365.345	4.737	1	5		FJBFRM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccc2)ccc1[O-]	ZINC000095603164	209085262	/nfs/dbraw/zinc/08/52/62/209085262.db2.gz	OPCFESYTPXDZHL-UHFFFAOYSA-N	-1	0	368.776	4.873	1	5		FJBFRM