smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3[O-])oc2cc1C	ZINC000000817472	568490112	/nfs/dbraw/zinc/49/01/12/568490112.db2.gz	QQGGFBOOVRPCBX-UHFFFAOYSA-N	-1	1	417.421	5.286	40	5		HKBBMM
C[C@@H]1CCc2c(c3c(ccc4ccccc43)nc2-c2cc(Br)ccc2[O-])C1	ZINC000004618358	557573192	/nfs/dbraw/zinc/57/31/92/557573192.db2.gz	RENXPLYJQBTTFQ-CQSZACIVSA-N	-1	1	418.334	6.648	40	5		HKBBMM
C[C@H]1CCc2c(c3c(ccc4ccccc43)nc2-c2cc(Br)ccc2[O-])C1	ZINC000004618359	557573118	/nfs/dbraw/zinc/57/31/18/557573118.db2.gz	RENXPLYJQBTTFQ-AWEZNQCLSA-N	-1	1	418.334	6.648	40	5		HKBBMM
C[C@@H]1CCc2c(c(-c3cc(Br)ccc3[O-])nc3ccc4ccccc4c32)C1	ZINC000004618368	557573124	/nfs/dbraw/zinc/57/31/24/557573124.db2.gz	ITNNZGDNIQSBEQ-CQSZACIVSA-N	-1	1	418.334	6.648	40	5		HKBBMM
C[C@H]1CCc2c(c(-c3cc(Br)ccc3[O-])nc3ccc4ccccc4c32)C1	ZINC000004618369	557573200	/nfs/dbraw/zinc/57/32/00/557573200.db2.gz	ITNNZGDNIQSBEQ-AWEZNQCLSA-N	-1	1	418.334	6.648	40	5		HKBBMM
Cc1nc([N-]c2cc(Cl)ccc2Cl)nc(N(C)c2ccccc2)c1[N+](=O)[O-]	ZINC000005005145	559226579	/nfs/dbraw/zinc/22/65/79/559226579.db2.gz	CFPORXOQQMLBHO-UHFFFAOYSA-N	-1	1	404.257	5.512	40	5		HKBBMM
COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(C(=O)[O-])cc2)[nH]c1-c1ccccc1	ZINC000006282489	569037256	/nfs/dbraw/zinc/03/72/56/569037256.db2.gz	UCBATIIDFLGOMQ-UHFFFAOYSA-N	-1	1	415.405	5.026	40	5		HKBBMM
O=C([N-]c1cc([N+](=O)[O-])ccc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057313278	568826440	/nfs/dbraw/zinc/82/64/40/568826440.db2.gz	QMJJQXPRFPIJMK-UHFFFAOYSA-N	-1	1	412.210	5.277	40	5		HKBBMM
COc1cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC	ZINC000095910618	291295144	/nfs/dbraw/zinc/29/51/44/291295144.db2.gz	BLZDSTHKFQEOIU-UHFFFAOYSA-N	-1	1	424.493	5.392	40	5	biogenic,in-vitro	HKBBMM
Cc1sc2nc(-c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)[n-]c(=O)c2c1C	ZINC000408734169	558592861	/nfs/dbraw/zinc/59/28/61/558592861.db2.gz	FBJRHAOHAHQTDP-UHFFFAOYSA-N	-1	1	401.831	5.502	40	5		HKBBMM
COc1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)o2)c([N+](=O)[O-])c1	ZINC000408735276	558594083	/nfs/dbraw/zinc/59/40/83/558594083.db2.gz	PLSMFQNPVCGWHE-UHFFFAOYSA-N	-1	1	423.450	5.120	40	5		HKBBMM
Cc1sc2nc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)[n-]c(=O)c2c1C	ZINC000408735397	559225689	/nfs/dbraw/zinc/22/56/89/559225689.db2.gz	RGWKEZAIXOPRIY-UHFFFAOYSA-N	-1	1	407.451	5.168	40	5		HKBBMM
Cc1sc2nc(-c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[n-]c(=O)c2c1C	ZINC000408735873	558596179	/nfs/dbraw/zinc/59/61/79/558596179.db2.gz	YRMGYWZWZQJCFS-UHFFFAOYSA-N	-1	1	401.831	5.502	40	5		HKBBMM
Cc1sc2nc(-c3ccccc3OCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c2c1C	ZINC000408735937	558594496	/nfs/dbraw/zinc/59/44/96/558594496.db2.gz	ZNNAZRAGWHFNQW-UHFFFAOYSA-N	-1	1	407.451	5.168	40	5		HKBBMM
O=c1[n-]c(-c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2sc3c(c21)CCCCCC3	ZINC000408987586	560661871	/nfs/dbraw/zinc/66/18/71/560661871.db2.gz	FUHCBDORKUJOME-UHFFFAOYSA-N	-1	1	421.478	5.891	40	5		HKBBMM
O=c1[n-]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c21)CCCCC3	ZINC000408992866	558852207	/nfs/dbraw/zinc/85/22/07/558852207.db2.gz	UUGNPBRARMHDAG-UHFFFAOYSA-N	-1	1	407.451	5.501	40	5		HKBBMM
O=c1[n-]c(-c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2sc3c(c21)CCCCC3	ZINC000408993580	560663055	/nfs/dbraw/zinc/66/30/55/560663055.db2.gz	WNTGGHNPWHOBPH-UHFFFAOYSA-N	-1	1	407.451	5.501	40	5		HKBBMM
Cc1sc2nc(-c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C	ZINC000408993823	559235998	/nfs/dbraw/zinc/23/59/98/559235998.db2.gz	WZZCJSYURNABIE-UHFFFAOYSA-N	-1	1	410.480	5.135	40	5		HKBBMM