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@H]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1	ZINC001228969886	776672605	/nfs/dbraw/zinc/67/26/05/776672605.db2.gz	DKUOHAJZWABAGL-CZMCAQCFSA-N	-2	2	267.281	2.964	20	5		CFBDLL
CCCC(=O)[C@H](CCC)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228970204	776671889	/nfs/dbraw/zinc/67/18/89/776671889.db2.gz	HHSNKYNHFPIFEI-LBPRGKRZSA-N	-2	2	297.307	2.923	20	5		CFBDLL
C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C1CCC1	ZINC001228971307	776672565	/nfs/dbraw/zinc/67/25/65/776672565.db2.gz	NLBMJPLNPLPXLP-ZETCQYMHSA-N	-2	2	253.254	2.573	20	5		CFBDLL
O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CC2CCC1CC2	ZINC001228970176	776672800	/nfs/dbraw/zinc/67/28/00/776672800.db2.gz	GPNIOVCELYKCNC-SHVIVCPWSA-N	-2	2	279.292	2.964	20	5		CFBDLL
CCCC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228970613	776672679	/nfs/dbraw/zinc/67/26/79/776672679.db2.gz	JCOXNPQYZOXZRU-MRVPVSSYSA-N	-2	2	255.270	2.964	20	5		CFBDLL
CC(C)C[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228969942	776671963	/nfs/dbraw/zinc/67/19/63/776671963.db2.gz	DXTMNNXLSYRAKO-MRVPVSSYSA-N	-2	2	255.270	2.819	20	5		CFBDLL
C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccncc1	ZINC001228968921	776670753	/nfs/dbraw/zinc/67/07/53/776670753.db2.gz	UGYVXJMFSAXDMV-MRVPVSSYSA-N	-2	2	276.248	2.541	20	5		CFBDLL
C[C@H]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228971942	776672792	/nfs/dbraw/zinc/67/27/92/776672792.db2.gz	TUWTWIRVEFDKEM-CBAPKCEASA-N	-2	2	253.254	2.573	20	5		CFBDLL
C[C@@H]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228971967	776672809	/nfs/dbraw/zinc/67/28/09/776672809.db2.gz	TXBXPEJNYQRDQG-SCZZXKLOSA-N	-2	2	267.281	2.964	20	5		CFBDLL
Cc1ccc([C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cn1	ZINC001228971192	776672193	/nfs/dbraw/zinc/67/21/93/776672193.db2.gz	LIROMAQSJDZFCN-VIFPVBQESA-N	-2	2	290.275	2.849	20	5		CFBDLL
C[C@@H]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228971941	776672347	/nfs/dbraw/zinc/67/23/47/776672347.db2.gz	TUWTWIRVEFDKEM-APPZFPTMSA-N	-2	2	253.254	2.573	20	5		CFBDLL
C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccn1	ZINC001228971548	776672833	/nfs/dbraw/zinc/67/28/33/776672833.db2.gz	QFRVRXRBWLJFOA-MRVPVSSYSA-N	-2	2	276.248	2.541	20	5		CFBDLL
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1O	ZINC000193854978	382727176	/nfs/dbraw/zinc/72/71/76/382727176.db2.gz	ISOHXNBWEYGWNZ-UHFFFAOYSA-N	-2	2	288.259	2.567	20	5		CFBDLL
C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C1CCC1	ZINC001228971306	776672886	/nfs/dbraw/zinc/67/28/86/776672886.db2.gz	NLBMJPLNPLPXLP-SSDOTTSWSA-N	-2	2	253.254	2.573	20	5		CFBDLL
CC1CCC(Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1	ZINC001228969887	776672947	/nfs/dbraw/zinc/67/29/47/776672947.db2.gz	DKUOHAJZWABAGL-UHFFFAOYSA-N	-2	2	267.281	2.964	20	5		CFBDLL
CC(C)C[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228969944	776672396	/nfs/dbraw/zinc/67/23/96/776672396.db2.gz	DXTMNNXLSYRAKO-QMMMGPOBSA-N	-2	2	255.270	2.819	20	5		CFBDLL
CCCC(=O)[C@@H](CCC)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228970203	776672300	/nfs/dbraw/zinc/67/23/00/776672300.db2.gz	HHSNKYNHFPIFEI-GFCCVEGCSA-N	-2	2	297.307	2.923	20	5		CFBDLL
CCCCOC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228970163	776671872	/nfs/dbraw/zinc/67/18/72/776671872.db2.gz	GLUGRWPTKRJBKQ-VIFPVBQESA-N	-2	2	285.296	2.590	20	5		CFBDLL
CCCCOC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228970161	776672643	/nfs/dbraw/zinc/67/26/43/776672643.db2.gz	GLUGRWPTKRJBKQ-SECBINFHSA-N	-2	2	285.296	2.590	20	5		CFBDLL
O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CC2CCC1CC2	ZINC001228970175	776672775	/nfs/dbraw/zinc/67/27/75/776672775.db2.gz	GPNIOVCELYKCNC-KWPJZBAWSA-N	-2	2	279.292	2.964	20	5		CFBDLL
CCCC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228970614	776672249	/nfs/dbraw/zinc/67/22/49/776672249.db2.gz	JCOXNPQYZOXZRU-QMMMGPOBSA-N	-2	2	255.270	2.964	20	5		CFBDLL
C[C@@H]1CC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228971944	776671810	/nfs/dbraw/zinc/67/18/10/776671810.db2.gz	TUWTWIRVEFDKEM-VXNVDRBHSA-N	-2	2	253.254	2.573	20	5		CFBDLL
C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccncc1	ZINC001228968922	776670622	/nfs/dbraw/zinc/67/06/22/776670622.db2.gz	UGYVXJMFSAXDMV-QMMMGPOBSA-N	-2	2	276.248	2.541	20	5		CFBDLL
C[C@@H]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228971966	776672045	/nfs/dbraw/zinc/67/20/45/776672045.db2.gz	TXBXPEJNYQRDQG-PSASIEDQSA-N	-2	2	267.281	2.964	20	5		CFBDLL
Cc1ccc([C@@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cn1	ZINC001228971191	776672376	/nfs/dbraw/zinc/67/23/76/776672376.db2.gz	LIROMAQSJDZFCN-SECBINFHSA-N	-2	2	290.275	2.849	20	5		CFBDLL
C[C@H]1CC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1	ZINC001228971943	776672442	/nfs/dbraw/zinc/67/24/42/776672442.db2.gz	TUWTWIRVEFDKEM-IONNQARKSA-N	-2	2	253.254	2.573	20	5		CFBDLL
C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccn1	ZINC001228971549	776672132	/nfs/dbraw/zinc/67/21/32/776672132.db2.gz	QFRVRXRBWLJFOA-QMMMGPOBSA-N	-2	2	276.248	2.541	20	5		CFBDLL
CC1(C)[C@@H]2C[C@@H](Oc3cc(O)cc(O)c3[N+](=O)[O-])C[C@@H]21	ZINC001228971301	776671852	/nfs/dbraw/zinc/67/18/52/776671852.db2.gz	NELCCWCUQIFZMO-OWUUHHOZSA-N	-2	2	279.292	2.819	20	5		CFBDLL