smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1	ZINC000020065813	570909443	/nfs/dbraw/zinc/90/94/43/570909443.db2.gz	QHUXILPJUCCMQE-INIZCTEOSA-N	-1	2	371.776	3.527	50	30		FHEALM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[P@@](=O)([O-])O	ZINC000252694649	525350072	/nfs/dbraw/zinc/35/00/72/525350072.db2.gz	NWJXKHVJFGAOMY-QMROVXIMSA-N	-1	2	368.410	3.996	50	30		FHEALM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[P@](=O)([O-])O	ZINC000252694649	525350081	/nfs/dbraw/zinc/35/00/81/525350081.db2.gz	NWJXKHVJFGAOMY-QMROVXIMSA-N	-1	2	368.410	3.996	50	30		FHEALM
O=C1C(=O)C(Cc2ccccc2)C(=O)c2c([O-])c(Cl)c(Cl)c(O)c21	ZINC000005626336	206197435	/nfs/dbraw/zinc/19/74/35/206197435.db2.gz	OCSXLDMOJJRVBF-UHFFFAOYSA-N	-1	2	365.168	3.838	50	30		FHEALM
COC(=O)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CC[N@@H+](C)C2	ZINC000000694792	570450901	/nfs/dbraw/zinc/45/09/01/570450901.db2.gz	DSCCMMKJKLMOFB-UFWORHAWSA-N	-1	2	364.854	3.632	50	30		FHEALM
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1	ZINC000004870812	204171364	/nfs/dbraw/zinc/17/13/64/204171364.db2.gz	JEUXUOWDBVHTKH-MRXNPFEDSA-N	-1	2	371.776	3.527	50	30		FHEALM
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1	ZINC000000836109	570459630	/nfs/dbraw/zinc/45/96/30/570459630.db2.gz	ZPDBCSBRGPFHKZ-MRXNPFEDSA-N	-1	2	372.218	3.938	50	30		FHEALM
O=C([O-])c1cc(/C=C/C(=O)c2cc(Cl)ccc2O)c2c(c1)COCO2	ZINC000004025762	571204334	/nfs/dbraw/zinc/20/43/34/571204334.db2.gz	UDYZHBFCKOOZJD-HNQUOIGGSA-N	-1	2	360.749	3.506	50	30	biogenic	FHEALM
C=CCn1c(=O)c2c([nH]c1=S)sc1c2CC[N@@H+](Cc2ccccc2)C1	ZINC000018142691	570813044	/nfs/dbraw/zinc/81/30/44/570813044.db2.gz	CSFRAHUUQRWAJK-UHFFFAOYSA-N	-1	2	369.515	3.865	50	30		FHEALM
CCOC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1	ZINC000102437601	570832142	/nfs/dbraw/zinc/83/21/42/570832142.db2.gz	ZDXMNKRPGNDGCI-IMGOXIFKSA-N	-1	2	355.365	3.597	50	30		FHEALM
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1	ZINC000004870813	570611866	/nfs/dbraw/zinc/61/18/66/570611866.db2.gz	JEUXUOWDBVHTKH-INIZCTEOSA-N	-1	2	371.776	3.527	50	30		FHEALM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O[P@@](=O)([O-])O	ZINC000252694650	525349012	/nfs/dbraw/zinc/34/90/12/525349012.db2.gz	NWJXKHVJFGAOMY-VWQYPGANSA-N	-1	2	368.410	3.996	50	30		FHEALM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O[P@](=O)([O-])O	ZINC000252694650	525349020	/nfs/dbraw/zinc/34/90/20/525349020.db2.gz	NWJXKHVJFGAOMY-VWQYPGANSA-N	-1	2	368.410	3.996	50	30		FHEALM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000018157334	211194033	/nfs/dbraw/zinc/19/40/33/211194033.db2.gz	QHUXILPJUCCMQE-MRXNPFEDSA-N	-1	2	371.776	3.527	50	30		FHEALM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O[P@@](=O)([O-])O	ZINC000253499802	525349801	/nfs/dbraw/zinc/34/98/01/525349801.db2.gz	NWJXKHVJFGAOMY-LHIBYTEYSA-N	-1	2	368.410	3.996	50	30		FHEALM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O[P@](=O)([O-])O	ZINC000253499802	525349807	/nfs/dbraw/zinc/34/98/07/525349807.db2.gz	NWJXKHVJFGAOMY-LHIBYTEYSA-N	-1	2	368.410	3.996	50	30		FHEALM
CCOC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000102437606	570832176	/nfs/dbraw/zinc/83/21/76/570832176.db2.gz	ZDXMNKRPGNDGCI-XUMLYMLNSA-N	-1	2	355.365	3.597	50	30		FHEALM