smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)c2c3c(c4c(c2O)C(=O)[C@@]2(O)C(=O)C(C(N)=O)=C([O-])C[C@@]2(O)[C@H]4O)C[C@@]2(c31)C(C)=CCCC2(C)C	ZINC000008585612	553080445	/nfs/dbraw/zinc/08/04/45/553080445.db2.gz	SUWQGLGDFGHZNH-SCXJKOOSSA-N	-1	1	565.575	1.782	40	30	in-vitro	KDEBMM
COc1cc(O)c2c3c(c4c(c2O)C(=O)[C@@]2(O)C(=O)C(C(N)=O)=C([O-])C[C@@]2(O)[C@H]4O)C[C@]2(c31)C(C)=CCCC2(C)C	ZINC000008585615	553080439	/nfs/dbraw/zinc/08/04/39/553080439.db2.gz	SUWQGLGDFGHZNH-NPHRAETBSA-N	-1	1	565.575	1.782	40	30	in-vitro	KDEBMM
COc1cc(O)c2c3c(c4c(c2O)C(=O)[C@@]2(O)C(=O)C(C(N)=O)=C([O-])C[C@@]2(O)[C@@H]4O)C[C@@]2(c31)C(C)=CCCC2(C)C	ZINC000008585618	553080508	/nfs/dbraw/zinc/08/05/08/553080508.db2.gz	SUWQGLGDFGHZNH-LSUPZWPOSA-N	-1	1	565.575	1.782	40	30	in-vitro	KDEBMM
COc1cc(O)c2c3c(c4c(c2O)C(=O)[C@@]2(O)C(=O)C(C(N)=O)=C([O-])C[C@@]2(O)[C@@H]4O)C[C@]2(c31)C(C)=CCCC2(C)C	ZINC000008585620	553080453	/nfs/dbraw/zinc/08/04/53/553080453.db2.gz	SUWQGLGDFGHZNH-MXGGMJLHSA-N	-1	1	565.575	1.782	40	30	in-vitro	KDEBMM
O=[N+]([O-])c1ccc(N=NC2c3ccccc3C(S(=O)(=O)[O-])=CC2=NNc2ccc([N+](=O)[O-])cn2)nc1	ZINC000018282978	553611896	/nfs/dbraw/zinc/61/18/96/553611896.db2.gz	DSWXTZOKTQVAPL-JKESBKQOSA-N	-1	1	510.448	1.663	40	30		KDEBMM
O=[N+]([O-])c1ccc(N=NC2c3ccccc3C(S(=O)(=O)[O-])=CC2=NNc2ccc([N+](=O)[O-])cn2)nc1	ZINC000018282984	553611852	/nfs/dbraw/zinc/61/18/52/553611852.db2.gz	DSWXTZOKTQVAPL-FIKJPGFWSA-N	-1	1	510.448	1.663	40	30		KDEBMM
COc1ccc(CCn2c(N=NCc3ccc(OC)c(OC)c3C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000097981234	553992263	/nfs/dbraw/zinc/99/22/63/553992263.db2.gz	UZJWOJMNHXUFJC-MZJWZYIUSA-N	-1	1	536.545	1.846	40	30		KDEBMM
CCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCC	ZINC000100016080	554181250	/nfs/dbraw/zinc/18/12/50/554181250.db2.gz	UPUKKDCTWWVPCJ-KFJAXHMHSA-N	-1	1	586.612	1.483	40	30	in-vitro	KDEBMM
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCC	ZINC000100016082	554181613	/nfs/dbraw/zinc/18/16/13/554181613.db2.gz	UPUKKDCTWWVPCJ-ZHUCHEMCSA-N	-1	1	586.612	1.483	40	30	in-vitro	KDEBMM
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC	ZINC000100087847	554209770	/nfs/dbraw/zinc/20/97/70/554209770.db2.gz	UPUKKDCTWWVPCJ-OZRWLNDDSA-N	-1	1	586.612	1.483	40	30	in-vitro	KDEBMM
CSCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](NC(=O)[C@H](N)CS)C(C)C)C(=O)[O-]	ZINC000138710835	571451874	/nfs/dbraw/zinc/45/18/74/571451874.db2.gz	HZPSWNVHTKOMLQ-MLNNCEHLSA-N	-1	1	548.731	1.588	40	30		KDEBMM
CSCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](NC(=O)[C@H](N)CS)C(C)C)C(=O)[O-]	ZINC000138710984	571451934	/nfs/dbraw/zinc/45/19/34/571451934.db2.gz	HZPSWNVHTKOMLQ-CLAROIROSA-N	-1	1	548.731	1.588	40	30		KDEBMM
CSCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)[O-]	ZINC000255977946	572304489	/nfs/dbraw/zinc/30/44/89/572304489.db2.gz	HZPSWNVHTKOMLQ-MYGLTJDJSA-N	-1	1	548.731	1.588	40	30		KDEBMM
C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)C(=O)[N-]C1=S	ZINC000408902003	1066397385	/nfs/dbraw/zinc/39/73/85/1066397385.db2.gz	DLIUSGHEWVPCRB-IZZDOVSWSA-N	-1	1	516.313	1.664	40	30		KDEBMM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc([N+](=O)[O-])c([O-])cc1O	ZINC000408953092	1066400302	/nfs/dbraw/zinc/40/03/02/1066400302.db2.gz	ONHHJKVOHDGGPO-CFKJCJOZSA-N	-1	1	545.505	1.527	40	30		KDEBMM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc([N+](=O)[O-])c([O-])cc1O	ZINC000408953096	1066400287	/nfs/dbraw/zinc/40/02/87/1066400287.db2.gz	ONHHJKVOHDGGPO-MFTCQQDRSA-N	-1	1	545.505	1.527	40	30		KDEBMM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc([N+](=O)[O-])c([O-])cc1O	ZINC000408953102	1066400282	/nfs/dbraw/zinc/40/02/82/1066400282.db2.gz	ONHHJKVOHDGGPO-PMORDNPLSA-N	-1	1	545.505	1.527	40	30		KDEBMM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc([N+](=O)[O-])c([O-])cc1O	ZINC000408953106	1066210265	/nfs/dbraw/zinc/21/02/65/1066210265.db2.gz	ONHHJKVOHDGGPO-ZZYIKFAESA-N	-1	1	545.505	1.527	40	30		KDEBMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3cccc(C#N)c3)cc2)c1	ZINC000575420268	1066344124	/nfs/dbraw/zinc/34/41/24/1066344124.db2.gz	ACARCFZERMMBHS-BJKOFHAPSA-N	-1	1	572.646	1.584	40	30		KDEBMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3cccc(C#N)c3)cc2)c1	ZINC000575420273	1066343933	/nfs/dbraw/zinc/34/39/33/1066343933.db2.gz	ACARCFZERMMBHS-DNQXCXABSA-N	-1	1	572.646	1.584	40	30		KDEBMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3cccc(C#N)c3)cc2)c1	ZINC000575420274	1066344029	/nfs/dbraw/zinc/34/40/29/1066344029.db2.gz	ACARCFZERMMBHS-RPWUZVMVSA-N	-1	1	572.646	1.584	40	30		KDEBMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3cccc(C#N)c3)cc2)c1	ZINC000575420275	1066344195	/nfs/dbraw/zinc/34/41/95/1066344195.db2.gz	ACARCFZERMMBHS-ZEQRLZLVSA-N	-1	1	572.646	1.584	40	30		KDEBMM