smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C[n+]1cccn1-c1cc2c(cc1Cl)N[C@H](C(=O)[O-])n1nc(C(=O)[O-])cc1-2	ZINC000027327869	204855335	/nfs/dbraw/zinc/85/53/35/204855335.db2.gz	BDOJVWYJWABRTK-AWEZNQCLSA-O	-1	0	388.747	1.027	1	10		GDCFRM
O=C([O-])[C@@H]1CN(C2CC2)c2c(O)c3c(c(O)c2C1=O)C(=O)c1ccccc1C3=O	ZINC000040465101	132405156	/nfs/dbraw/zinc/40/51/56/132405156.db2.gz	RNFJOMKGAWRBTN-LLVKDONJSA-N	-1	0	393.351	1.739	1	10		GDCFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])C(F)(F)F)O2)c(=O)[nH]c1=O	ZINC000029247107	207357377	/nfs/dbraw/zinc/35/73/77/207357377.db2.gz	JFKCXFWPZSYHHT-XLPZGREQSA-N	-1	0	399.222	1.533	1	10		GDCFRM
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])C(F)F)O2)c(=O)[nH]c1=O	ZINC000029250866	207357593	/nfs/dbraw/zinc/35/75/93/207357593.db2.gz	KVSKFTCBBSRLRX-PRJMDXOYSA-N	-1	0	381.232	1.236	1	10		GDCFRM
Cc1[n-]n(C(N)=S)c(=O)c1/N=N/c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000169325778	208731539	/nfs/dbraw/zinc/73/15/39/208731539.db2.gz	HJXHIVMJEZKFMO-ISLYRVAYSA-N	-1	0	394.482	1.776	1	10		GDCFRM
COc1cc(CNC(=O)c2ccc3ccc(C(=O)[O-])c(O)c3n2)cc(O)c1O	ZINC000026497841	207314111	/nfs/dbraw/zinc/31/41/11/207314111.db2.gz	BAPWUHDXKLLFSQ-UHFFFAOYSA-N	-1	0	384.344	1.988	1	10		GDCFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])C(F)F)O2)c(=O)[nH]c1=O	ZINC000003842664	206495394	/nfs/dbraw/zinc/49/53/94/206495394.db2.gz	KVSKFTCBBSRLRX-XLPZGREQSA-N	-1	0	381.232	1.236	1	10		GDCFRM
CNS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1	ZINC000015924838	207068197	/nfs/dbraw/zinc/06/81/97/207068197.db2.gz	LOVOQJYZAQDGKY-UHFFFAOYSA-N	-1	0	375.362	1.444	3	10		GDCFRM
O=S(=O)([O-])OCCc1cc(O)c(O)c(Br)c1Br	ZINC000013450174	209111235	/nfs/dbraw/zinc/11/12/35/209111235.db2.gz	IVDRMONUQOVGSF-UHFFFAOYSA-N	-1	0	392.021	1.985	1	10		GDCFRM
O=C([O-])[C@@H](Cc1ccc(O)c(O)c1CO)OC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000085510844	291111848	/nfs/dbraw/zinc/11/18/48/291111848.db2.gz	WIOXNXMVIQPZIL-BAXHPOPBSA-N	-1	0	390.344	1.254	1	10	biogenic,in-vitro	GDCFRM
COc1ccc(N2CCN(c3nc4ccccc4n(CC(=O)[O-])c3=O)CC2)cc1	ZINC000169342607	536701902	/nfs/dbraw/zinc/70/19/02/536701902.db2.gz	OLHFLELVAAETDL-UHFFFAOYSA-N	-1	0	394.431	1.816	1	10		GDCFRM
O=C[n+]1cccn1-c1cc2c(cc1Cl)N[C@@H](C(=O)[O-])n1nc(C(=O)[O-])cc1-2	ZINC000027327864	207324683	/nfs/dbraw/zinc/32/46/83/207324683.db2.gz	BDOJVWYJWABRTK-CQSZACIVSA-O	-1	0	388.747	1.027	1	10		GDCFRM
CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000096928431	211353045	/nfs/dbraw/zinc/35/30/45/211353045.db2.gz	XCPHDYIAWKXLIH-XOVSCCBYSA-N	-1	0	394.424	1.985	1	10		GDCFRM
O=S(=O)([O-])O[C@H]1Cc2cc(O)cc(O)c2O[C@H]1c1cc(O)c(O)c(O)c1	ZINC000085588710	571783829	/nfs/dbraw/zinc/78/38/29/571783829.db2.gz	PFNBTZIECYHRTC-WFASDCNBSA-N	-1	0	386.334	1.079	1	10	endogenous,in-man	GDCFRM
Cc1nnc([N-]S(=O)(=O)c2ccc([C@H]3SC(=S)NC3=O)cc2)s1	ZINC000013761317	221288228	/nfs/dbraw/zinc/28/82/28/221288228.db2.gz	KRPNZNSJPQZLEQ-SECBINFHSA-N	-1	0	386.505	1.836	1	10		GDCFRM