smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(F)cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-]	ZINC000614551115	530309966	/nfs/dbraw/zinc/30/99/66/530309966.db2.gz	YRVNLKDTRYBEKV-TVQRCGJNSA-N	-1	2	377.394	0.740	20	5		GCBDLM
COC(=O)c1cc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc([N+](=O)[O-])c1	ZINC000831328616	600690417	/nfs/dbraw/zinc/69/04/17/600690417.db2.gz	WMQVXMXNGMGCHW-UHFFFAOYSA-N	-1	2	384.326	0.463	20	5		GCBDLM
CCc1nn(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825762455	608295822	/nfs/dbraw/zinc/29/58/22/608295822.db2.gz	BXKITKVYNJCJQT-UHFFFAOYSA-N	-1	2	378.374	0.872	20	5		GCBDLM
CN(C)C(=O)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000432177467	1189907210	/nfs/dbraw/zinc/90/72/10/1189907210.db2.gz	NBEBMPWFXJETEJ-UHFFFAOYSA-N	-1	2	397.369	0.379	20	5		GCBDLM
NC(=O)c1sccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000822890165	607003456	/nfs/dbraw/zinc/00/34/56/607003456.db2.gz	NODDYZABGYXDTE-UHFFFAOYSA-N	-1	2	395.382	0.736	20	5		GCBDLM
CN(C)C(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000471126072	1184216833	/nfs/dbraw/zinc/21/68/33/1184216833.db2.gz	VQTCSBCROPIEOG-UHFFFAOYSA-N	-1	2	397.369	0.379	20	5		GCBDLM
COc1c(F)cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-]	ZINC000614551107	530309674	/nfs/dbraw/zinc/30/96/74/530309674.db2.gz	YRVNLKDTRYBEKV-NOZJJQNGSA-N	-1	2	377.394	0.740	20	5		GCBDLM
C[C@@H](NC(=O)c1ccc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827702928	601446049	/nfs/dbraw/zinc/44/60/49/601446049.db2.gz	DKXHUHWOWJVAJN-MRVPVSSYSA-N	-1	2	378.345	0.666	20	5		GCBDLM
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824977513	607670787	/nfs/dbraw/zinc/67/07/87/607670787.db2.gz	QTGGWWKHUHDQQN-GXSJLCMTSA-N	-1	2	393.429	0.536	20	5		GCBDLM
C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824977513	607670788	/nfs/dbraw/zinc/67/07/88/607670788.db2.gz	QTGGWWKHUHDQQN-GXSJLCMTSA-N	-1	2	393.429	0.536	20	5		GCBDLM
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2nn[nH]c2c1	ZINC000823634464	606789339	/nfs/dbraw/zinc/78/93/39/606789339.db2.gz	GIPPAPFHHHPPNO-UHFFFAOYSA-N	-1	2	387.341	0.847	20	5		GCBDLM
Cn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1C(=O)[O-]	ZINC000826366442	608396108	/nfs/dbraw/zinc/39/61/08/608396108.db2.gz	IEIXLBRKPOFXJW-UHFFFAOYSA-N	-1	2	394.329	0.007	20	5		GCBDLM
COC(=O)Cn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000831192642	600690660	/nfs/dbraw/zinc/69/06/60/600690660.db2.gz	QGVHDLCNWDHZRW-UHFFFAOYSA-N	-1	2	384.326	0.463	20	5		GCBDLM
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824977515	607670948	/nfs/dbraw/zinc/67/09/48/607670948.db2.gz	QTGGWWKHUHDQQN-KOLCDFICSA-N	-1	2	393.429	0.536	20	5		GCBDLM
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824977515	607670950	/nfs/dbraw/zinc/67/09/50/607670950.db2.gz	QTGGWWKHUHDQQN-KOLCDFICSA-N	-1	2	393.429	0.536	20	5		GCBDLM
COc1c(F)cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-]	ZINC000614551116	530309906	/nfs/dbraw/zinc/30/99/06/530309906.db2.gz	YRVNLKDTRYBEKV-ZANVPECISA-N	-1	2	377.394	0.740	20	5		GCBDLM
CNC(=O)Cn1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1C	ZINC000504280146	1194773949	/nfs/dbraw/zinc/77/39/49/1194773949.db2.gz	OWFHFZCFMNQBTF-UHFFFAOYSA-N	-1	2	383.386	0.661	20	5		GCBDLM
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824977520	607670873	/nfs/dbraw/zinc/67/08/73/607670873.db2.gz	QTGGWWKHUHDQQN-MWLCHTKSSA-N	-1	2	393.429	0.536	20	5		GCBDLM
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824977520	607670875	/nfs/dbraw/zinc/67/08/75/607670875.db2.gz	QTGGWWKHUHDQQN-MWLCHTKSSA-N	-1	2	393.429	0.536	20	5		GCBDLM
COc1c(F)cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-]	ZINC000614551114	530309947	/nfs/dbraw/zinc/30/99/47/530309947.db2.gz	YRVNLKDTRYBEKV-RNCFNFMXSA-N	-1	2	377.394	0.740	20	5		GCBDLM
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000739690840	600461636	/nfs/dbraw/zinc/46/16/36/600461636.db2.gz	BWDHPYZIIWZWFG-UHFFFAOYSA-N	-1	2	382.354	0.705	20	5		GCBDLM
C[NH+]1CCN(c2cc(CNS(=O)(=O)c3cccnc3[N+](=O)[O-])ccn2)CC1	ZINC000525700512	1196701543	/nfs/dbraw/zinc/70/15/43/1196701543.db2.gz	JERWGVANCYCMHT-UHFFFAOYSA-N	-1	2	392.441	0.615	20	5		GCBDLM
C[C@H](NC(=O)c1ccc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827702929	601446037	/nfs/dbraw/zinc/44/60/37/601446037.db2.gz	DKXHUHWOWJVAJN-QMMMGPOBSA-N	-1	2	378.345	0.666	20	5		GCBDLM
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824977522	607670852	/nfs/dbraw/zinc/67/08/52/607670852.db2.gz	QTGGWWKHUHDQQN-ONGXEEELSA-N	-1	2	393.429	0.536	20	5		GCBDLM
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824977522	607670854	/nfs/dbraw/zinc/67/08/54/607670854.db2.gz	QTGGWWKHUHDQQN-ONGXEEELSA-N	-1	2	393.429	0.536	20	5		GCBDLM
CS(=O)(=O)CCn1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000741200884	640222644	/nfs/dbraw/zinc/22/26/44/640222644.db2.gz	JAXPJJZDUORIQX-UHFFFAOYSA-N	-1	2	390.399	0.342	20	5		GCBDLM