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([O-])/C(=C/c1cc(Br)cc([N+](=O)[O-])c1[O-])Sc1nc2ccccc2o1	ZINC000408632932	557423080	/nfs/dbraw/zinc/42/30/80/557423080.db2.gz	HRRKAYLWXDFISN-MLPAPPSSSA-N	-2	0	437.227	4.422	40	5		IIBBRL
O=C([O-])/C(=C/c1cc([N+](=O)[O-])cc(Br)c1[O-])Sc1nc2ccccc2[nH]1	ZINC000408633736	557423007	/nfs/dbraw/zinc/42/30/07/557423007.db2.gz	LULHXVWTDGOANN-MLPAPPSSSA-N	-2	0	436.243	4.157	40	5		IIBBRL
O=c1[n-]c(C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009234790	569294524	/nfs/dbraw/zinc/29/45/24/569294524.db2.gz	MUXIQXFMAXZCCE-QPJJXVBHSA-N	-2	0	434.235	4.440	40	5		IIBBRL
CCn1c(S/C(=C\c2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634382	557423336	/nfs/dbraw/zinc/42/33/36/557423336.db2.gz	QLWMHMIGGNBFPB-YBEGLDIGSA-N	-2	0	446.872	4.450	40	5		IIBBRL
O=C([O-])/C(=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1)Sc1nc2ccccc2o1	ZINC000408635042	557423392	/nfs/dbraw/zinc/42/33/92/557423392.db2.gz	XCVJPSUYIGFWHJ-QPEQYQDCSA-N	-2	0	437.227	4.422	40	5		IIBBRL
O=C([O-])/C=C\c1ccc(Nc2ncnc(Nc3cccc(/C=C\C(=O)[O-])c3)c2[N+](=O)[O-])cc1	ZINC000033633960	556615490	/nfs/dbraw/zinc/61/54/90/556615490.db2.gz	OZTCKJXMOSQMME-SQXCDDPUSA-N	-2	0	447.407	4.068	40	5		IIBBRL
Cc1nc([N-]c2ccccc2[N+](=O)[O-])sc1C(=O)C=C(O)C(=O)Nc1ccccc1C	ZINC000102964387	557413517	/nfs/dbraw/zinc/41/35/17/557413517.db2.gz	ZUXDZCZKZFJRGQ-UHFFFAOYSA-N	-2	0	438.465	4.192	40	5		IIBBRL
CCc1nc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[O-])n[nH]1	ZINC000408631226	557422445	/nfs/dbraw/zinc/42/24/45/557422445.db2.gz	GKKVLPBEEARITO-BOPFTXTBSA-N	-2	0	426.454	4.072	40	5		IIBBRL
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])o1	ZINC000408635251	557423269	/nfs/dbraw/zinc/42/32/69/557423269.db2.gz	ZNNSTJZKFBTCJJ-CHHVJCJISA-N	-2	0	449.828	4.230	40	5		IIBBRL
O=C([O-])/C(=C/c1cc(Br)cc([N+](=O)[O-])c1[O-])Sc1nc2ccccc2[nH]1	ZINC000408634390	557423387	/nfs/dbraw/zinc/42/33/87/557423387.db2.gz	QOSZPJXACZQBRF-MLPAPPSSSA-N	-2	0	436.243	4.157	40	5		IIBBRL
O=C([O-])/C(=C/c1cc([N+](=O)[O-])cc(Br)c1[O-])Sc1nc2ccccc2o1	ZINC000408635351	557423247	/nfs/dbraw/zinc/42/32/47/557423247.db2.gz	ZSCSLKCSGJTSSM-MLPAPPSSSA-N	-2	0	437.227	4.422	40	5		IIBBRL
O=C([O-])/C(=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1	ZINC000408634841	557423241	/nfs/dbraw/zinc/42/32/41/557423241.db2.gz	VMFMSEQCKMQKSM-QPEQYQDCSA-N	-2	0	436.243	4.157	40	5		IIBBRL