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)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)cc(OC)c(c1c23)c54	ZINC000013650843	562999206	/nfs/dbraw/zinc/99/92/06/562999206.db2.gz	NSZZOXIDMIFTCS-UHFFFAOYSA-N	0	2	434.400	3.341	1	5		IGBFLN
COc1cc(O)c2c(=O)cc(OC)c3c4c(OC)cc(O)c5c(=O)cc(OC)c(c1c23)c54	ZINC000013650843	562999208	/nfs/dbraw/zinc/99/92/08/562999208.db2.gz	NSZZOXIDMIFTCS-UHFFFAOYSA-N	0	2	434.400	3.341	1	5		IGBFLN
Cc1cc(=O)oc2c1ccc(O)c2-c1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C=O	ZINC000096940182	563200190	/nfs/dbraw/zinc/20/01/90/563200190.db2.gz	DCUDZOAZJONTLV-UHFFFAOYSA-N	0	2	436.336	3.289	1	5		IGBFLN
C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1c1ccccc1	ZINC000040395807	563100796	/nfs/dbraw/zinc/10/07/96/563100796.db2.gz	QHJLWYFWLQLCPM-JOCHJYFZSA-N	0	2	448.479	3.436	1	5		IGBFLN
C[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1c1ccccc1	ZINC000040395807	563100798	/nfs/dbraw/zinc/10/07/98/563100798.db2.gz	QHJLWYFWLQLCPM-JOCHJYFZSA-N	0	2	448.479	3.436	1	5		IGBFLN
C[C@@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cn(C)cc2[N+](=O)[O-])C1	ZINC000027101095	563039678	/nfs/dbraw/zinc/03/96/78/563039678.db2.gz	MPYZQAMQBYHHOH-GFCCVEGCSA-N	0	2	428.420	3.311	1	5		IGBFLN
COc1ccc2c(c1-c1cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc1N)OCO2	ZINC000040421179	563102207	/nfs/dbraw/zinc/10/22/07/563102207.db2.gz	CJPHJTBDQIBLOI-UHFFFAOYSA-N	0	2	443.437	3.382	1	5		IGBFLN
O=c1oc2cc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)ccc2c([O-])c1[N+](=O)[O-]	ZINC000029236831	563076989	/nfs/dbraw/zinc/07/69/89/563076989.db2.gz	LCBFIEXOJLHCMZ-UHFFFAOYSA-N	0	2	429.860	3.378	1	5		IGBFLN
CC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cn(C)cc2[N+](=O)[O-])CC1	ZINC000027093893	563039485	/nfs/dbraw/zinc/03/94/85/563039485.db2.gz	MNUNHRPHHNOFNX-UHFFFAOYSA-N	0	2	428.420	3.311	1	5		IGBFLN
C[C@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cc([N+](=O)[O-])cn2C)C1	ZINC000027100788	563039717	/nfs/dbraw/zinc/03/97/17/563039717.db2.gz	NGIKSNCYQQSGHF-LBPRGKRZSA-N	0	2	428.420	3.311	1	5		IGBFLN
C[C@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cn(C)cc2[N+](=O)[O-])C1	ZINC000027101099	563039649	/nfs/dbraw/zinc/03/96/49/563039649.db2.gz	MPYZQAMQBYHHOH-LBPRGKRZSA-N	0	2	428.420	3.311	1	5		IGBFLN
Cn1c(=O)c2c(O)c(C(=O)NCc3ccc(F)cc3)ccc2nc1-c1ccc([N+](=O)[O-])cc1	ZINC000084713100	563177787	/nfs/dbraw/zinc/17/77/87/563177787.db2.gz	SKWUNMBVMINBGQ-UHFFFAOYSA-N	0	2	448.410	3.283	1	5		IGBFLN
C[C@@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cc([N+](=O)[O-])cn2C)C1	ZINC000027100783	563039710	/nfs/dbraw/zinc/03/97/10/563039710.db2.gz	NGIKSNCYQQSGHF-GFCCVEGCSA-N	0	2	428.420	3.311	1	5		IGBFLN
CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c([N+](=O)[O-])c2)cc1	ZINC000013672936	563000144	/nfs/dbraw/zinc/00/01/44/563000144.db2.gz	AAFJEHWCEZKTKP-UHFFFAOYSA-N	0	2	434.518	3.263	1	5		IGBFLN