smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OP(=O)([O-])[O-]	ZINC000252694649	525350063	/nfs/dbraw/zinc/35/00/63/525350063.db2.gz	NWJXKHVJFGAOMY-QMROVXIMSA-N	-2	0	368.410	3.996	50	30		FHEARL
O=C([O-])c1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000002577168	206921530	/nfs/dbraw/zinc/92/15/30/206921530.db2.gz	UFOLOUVNBLFJQU-FRKPEAEDSA-N	-2	0	365.139	3.512	50	30		FHEARL
O=C([O-])c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000002577169	570525684	/nfs/dbraw/zinc/52/56/84/570525684.db2.gz	RTCRYAHHPWGUGD-FRKPEAEDSA-N	-2	0	365.139	3.512	50	30		FHEARL
O=C([O-])CC/C(=N\N=C(/CCC(=O)[O-])c1ccccc1)c1ccccc1	ZINC000004136130	207003293	/nfs/dbraw/zinc/00/32/93/207003293.db2.gz	AXCOIWORIPCYRY-KSTNYAOJSA-N	-2	0	352.390	3.610	50	30		FHEARL
O=C([O-])c1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1Cl	ZINC000006059542	207127836	/nfs/dbraw/zinc/12/78/36/207127836.db2.gz	ZWXHTQQYQOOBAS-GIJQJNRQSA-N	-2	0	358.810	3.841	50	30		FHEARL
O=C([O-])c1cc(/C=C/C(=O)c2cc(Cl)ccc2[O-])c2c(c1)COCO2	ZINC000004025762	571204332	/nfs/dbraw/zinc/20/43/32/571204332.db2.gz	UDYZHBFCKOOZJD-HNQUOIGGSA-N	-2	0	360.749	3.506	50	30	biogenic	FHEARL
O=C([O-])c1ccc(C#Cc2ccc(C#Cc3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000096024941	571072551	/nfs/dbraw/zinc/07/25/51/571072551.db2.gz	PBSHZURLUZZSFJ-UHFFFAOYSA-N	-2	0	366.372	3.883	50	30		FHEARL
CCCC(=O)Nc1ccc([O-])c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000010434972	571126786	/nfs/dbraw/zinc/12/67/86/571126786.db2.gz	YWHHFBPZAPMLOC-UXBLZVDNSA-N	-2	0	353.374	3.725	50	30		FHEARL
O=C([O-])c1ccccc1C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1	ZINC000006059531	571274966	/nfs/dbraw/zinc/27/49/66/571274966.db2.gz	YQRRDRYSJXJXSB-GIJQJNRQSA-N	-2	0	358.810	3.841	50	30		FHEARL
O=C([O-])c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)cc1	ZINC000001478820	210355784	/nfs/dbraw/zinc/35/57/84/210355784.db2.gz	WPQXGTROOGCSLD-GIJQJNRQSA-N	-2	0	358.810	3.841	50	30		FHEARL
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OP(=O)([O-])[O-]	ZINC000252694650	525349003	/nfs/dbraw/zinc/34/90/03/525349003.db2.gz	NWJXKHVJFGAOMY-VWQYPGANSA-N	-2	0	368.410	3.996	50	30		FHEARL
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OP(=O)([O-])[O-]	ZINC000253499802	525349790	/nfs/dbraw/zinc/34/97/90/525349790.db2.gz	NWJXKHVJFGAOMY-LHIBYTEYSA-N	-2	0	368.410	3.996	50	30		FHEARL
O=C([O-])c1cccc(NC(=S)N/N=C/c2c(O)ccc3ccccc32)c1	ZINC000005131150	570588577	/nfs/dbraw/zinc/58/85/77/570588577.db2.gz	QMOAVDKGYWFNAG-RGVLZGJSSA-N	-2	0	365.414	3.564	50	30		FHEARL
O=C([O-])C(=NNc1ccc(Cl)cc1Cl)c1ccccc1C(=O)[O-]	ZINC000029763993	571342931	/nfs/dbraw/zinc/34/29/31/571342931.db2.gz	IKVUVRQKXWJLDZ-UYRXBGFRSA-N	-2	0	353.161	3.592	50	30		FHEARL
Cc1ncc(COP(=O)([O-])[O-])c(/C=N/c2ccc3ccccc3c2)c1O	ZINC000002990474	936251422	/nfs/dbraw/zinc/25/14/22/936251422.db2.gz	VZIZLXZCTXVKTQ-KEBDBYFISA-N	-2	0	372.317	3.609	50	30		FHEARL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=NNc3ccccc3)o2)c1	ZINC000015226306	220149259	/nfs/dbraw/zinc/14/92/59/220149259.db2.gz	KQSSUSVJXRXARX-RGVLZGJSSA-N	-2	0	350.330	3.789	50	30		FHEARL
O=C([O-])CCCOc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1	ZINC000096792053	222131055	/nfs/dbraw/zinc/13/10/55/222131055.db2.gz	XJRSRVYPEONOIA-XGICHPGQSA-N	-2	0	354.358	3.525	50	30		FHEARL