smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(-c2ccc(C=NN3C(=O)[N-]C(=O)[C@@H]3O)o2)cc1	ZINC000002005110	180905214	/nfs/dbraw/zinc/90/52/14/180905214.db2.gz	XRYIVRKCTDPVRE-HFVKVNHUSA-N	-1	1	300.274	1.573	1	30		DDEFMM
CN(O)C(=O)CC[C@H](c1ccc(F)c(F)c1)[P@](=O)([O-])O	ZINC000072116318	191038208	/nfs/dbraw/zinc/03/82/08/191038208.db2.gz	IZWIBRNXHRUNKD-SNVBAGLBSA-N	-1	1	309.205	1.811	1	30		DDEFMM
CC(=O)N(O)CC[C@@H](c1ccccc1CO)[P@](=O)([O-])O	ZINC000072109636	191037592	/nfs/dbraw/zinc/03/75/92/191037592.db2.gz	RXQVFCZPTPRWIW-LBPRGKRZSA-N	-1	1	303.251	1.026	1	30		DDEFMM
O=C(c1ccccc1O)N(O)[C@@H]1CC[C@@H]([P@](=O)([O-])O)C1	ZINC000013644116	181873148	/nfs/dbraw/zinc/87/31/48/181873148.db2.gz	UXFMOUPFPRJEQG-RKDXNWHRSA-N	-1	1	301.235	1.322	1	30		DDEFMM
COCc1ccccc1[C@H](CCN(O)C(C)=O)[P@](=O)([O-])O	ZINC000072108726	191038191	/nfs/dbraw/zinc/03/81/91/191038191.db2.gz	NMDNXJBYPYZXRY-ZDUSSCGKSA-N	-1	1	317.278	1.680	1	30		DDEFMM
O=C1c2c(cc([O-])cc2O)O/C1=C/c1cc(O)c(O)c(O)c1	ZINC000006524387	560206071	/nfs/dbraw/zinc/20/60/71/560206071.db2.gz	ACAAVKGSTVOIQB-KGVSQERTSA-N	-1	1	302.238	1.831	1	30	in-vitro	DDEFMM
CN(O)C(=O)CO[C@@H](c1ccc(F)cc1F)[P@](=O)([O-])O	ZINC000095552851	185379381	/nfs/dbraw/zinc/37/93/81/185379381.db2.gz	LDCYXLKHLKMMGK-SNVBAGLBSA-N	-1	1	311.177	1.005	1	30		DDEFMM
N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc([O-])cc1	ZINC000018153281	182095199	/nfs/dbraw/zinc/09/51/99/182095199.db2.gz	GYIHPWFWFRELQC-UHFFFAOYSA-N	-1	1	312.354	1.864	1	30	in-vitro	DDEFMM
O=C(CCSc1nc(Cc2ccccc2)cc(=O)[n-]1)NO	ZINC000028528412	581101906	/nfs/dbraw/zinc/10/19/06/581101906.db2.gz	RQFHPWOKYQVAQV-UHFFFAOYSA-N	-1	1	305.359	1.348	1	30		DDEFMM
CC(=O)N(O)CC[C@@H](c1ccccc1CCO)[P@](=O)([O-])O	ZINC000072107363	191038303	/nfs/dbraw/zinc/03/83/03/191038303.db2.gz	BMRNXJROUCANLA-ZDUSSCGKSA-N	-1	1	317.278	1.068	1	30		DDEFMM
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(CS)C(=O)[O-]	ZINC000100388470	574418322	/nfs/dbraw/zinc/41/83/22/574418322.db2.gz	GMPMSVBVMPTPPM-SNVBAGLBSA-N	-1	1	307.375	1.369	1	30	endogenous,in-vitro	DDEFMM
N#Cc1c2n[n-]c(=O)c(=O)n2c(=S)[nH]c1-c1ccc(F)cc1	ZINC000096932372	185392531	/nfs/dbraw/zinc/39/25/31/185392531.db2.gz	HGYFJIQLSDCBQZ-UHFFFAOYSA-N	-1	1	315.289	1.157	1	30		DDEFMM
O=C(CCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)NO	ZINC000003873248	181050959	/nfs/dbraw/zinc/05/09/59/181050959.db2.gz	UDTWOBDYINGQOW-UHFFFAOYSA-N	-1	1	320.370	1.925	1	30		DDEFMM
CC(=O)N(O)CC[C@H](c1ccccc1CO)[P@](=O)([O-])O	ZINC000072109637	191038090	/nfs/dbraw/zinc/03/80/90/191038090.db2.gz	RXQVFCZPTPRWIW-GFCCVEGCSA-N	-1	1	303.251	1.026	1	30		DDEFMM
N#CC1CCN(Cc2cc(C(=O)[O-])c(=O)n3ccccc23)CC1	ZINC000072107527	191037892	/nfs/dbraw/zinc/03/78/92/191037892.db2.gz	HHIAEWNRSFSKAC-UHFFFAOYSA-N	-1	1	311.341	1.733	1	30		DDEFMM
CN(O)C(=O)CO[C@H](c1ccc(F)c(F)c1)[P@](=O)([O-])O	ZINC000095555784	185379649	/nfs/dbraw/zinc/37/96/49/185379649.db2.gz	XKRWMTQGABKZDX-JTQLQIEISA-N	-1	1	311.177	1.005	1	30		DDEFMM
CC(=[NH+][N-]c1nc([O-])cs1)c1ccc(N2CCOCC2)cc1	ZINC000096927943	185391917	/nfs/dbraw/zinc/39/19/17/185391917.db2.gz	OCGCWSSSMZAQJT-GZTJUZNOSA-N	-1	1	318.402	1.466	1	30		DDEFMM
COCc1ccccc1[C@@H](CCN(O)C(C)=O)[P@](=O)([O-])O	ZINC000072108727	191037298	/nfs/dbraw/zinc/03/72/98/191037298.db2.gz	NMDNXJBYPYZXRY-CYBMUJFWSA-N	-1	1	317.278	1.680	1	30		DDEFMM
CC(=O)/C(=N\[O-])C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000149692711	186052565	/nfs/dbraw/zinc/05/25/65/186052565.db2.gz	MPXDIMNPEDHCIC-OBGWFSINSA-N	-1	1	303.362	1.186	1	30		DDEFMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CS)C(=O)[O-]	ZINC000100388475	574418320	/nfs/dbraw/zinc/41/83/20/574418320.db2.gz	GMPMSVBVMPTPPM-JTQLQIEISA-N	-1	1	307.375	1.369	1	30	endogenous,in-vitro	DDEFMM
COc1ccc([C@@H](CCN(O)C(C)=O)[P@](=O)([O-])O)cc1	ZINC000028572446	182529872	/nfs/dbraw/zinc/52/98/72/182529872.db2.gz	WKYGVTJLHPMWIU-GFCCVEGCSA-N	-1	1	303.251	1.542	1	30		DDEFMM
CC1=CCC[C@]23O[C@H]2[C@@H](OC3=O)C2=C(C1)C(=O)C([O-])=CC2=O	ZINC000095910130	560059029	/nfs/dbraw/zinc/05/90/29/560059029.db2.gz	RSLAGNHMADBMAP-LZDBLBPDSA-N	-1	1	302.282	1.070	1	30	biogenic,in-vitro	DDEFMM
CN(O)C(=O)CO[C@H](c1ccc(F)cc1F)[P@](=O)([O-])O	ZINC000095552852	185379204	/nfs/dbraw/zinc/37/92/04/185379204.db2.gz	LDCYXLKHLKMMGK-JTQLQIEISA-N	-1	1	311.177	1.005	1	30		DDEFMM
CCOC(=O)C1=C([O-])c2c(OC)ccc(OC)c2C(=O)C1=O	ZINC000005807809	181285972	/nfs/dbraw/zinc/28/59/72/181285972.db2.gz	GRLBGSCVLZTAHV-UHFFFAOYSA-N	-1	1	306.270	1.458	1	30		DDEFMM
COC1=CC(=O)C=C(OC)C1(O)CCC(=O)c1ccc([O-])cc1	ZINC000013404644	181848286	/nfs/dbraw/zinc/84/82/86/181848286.db2.gz	WHNYFVUMAYSMKK-UHFFFAOYSA-N	-1	1	318.325	1.730	1	30		DDEFMM
CN(O)C(=O)CC[C@@H](c1ccc(F)c(F)c1)[P@](=O)([O-])O	ZINC000072116317	191037636	/nfs/dbraw/zinc/03/76/36/191037636.db2.gz	IZWIBRNXHRUNKD-JTQLQIEISA-N	-1	1	309.205	1.811	1	30	in-vitro	DDEFMM
CC(=O)N(O)CC[C@H](c1ccccc1CCO)[P@](=O)([O-])O	ZINC000072107364	191037796	/nfs/dbraw/zinc/03/77/96/191037796.db2.gz	BMRNXJROUCANLA-CYBMUJFWSA-N	-1	1	317.278	1.068	1	30		DDEFMM
O=C([N-]S(=O)(=O)n1cnc2ccccc21)Nc1nncs1	ZINC000006010013	181305387	/nfs/dbraw/zinc/30/53/87/181305387.db2.gz	LQQMRQUIJFMCNP-UHFFFAOYSA-N	-1	1	324.347	1.007	1	30		DDEFMM
CN(O)C(=O)CO[C@@H](c1ccc(F)c(F)c1)[P@](=O)([O-])O	ZINC000095555783	185379582	/nfs/dbraw/zinc/37/95/82/185379582.db2.gz	XKRWMTQGABKZDX-SNVBAGLBSA-N	-1	1	311.177	1.005	1	30		DDEFMM
Cc1nc(NN=Cc2ccccc2Cl)[n-]c(=O)c1CCO	ZINC000017223691	182080483	/nfs/dbraw/zinc/08/04/83/182080483.db2.gz	IHEPRAUXXBYCPG-LZYBPNLTSA-N	-1	1	306.753	1.713	1	30		DDEFMM