smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)SC1=S	ZINC000409346549	276871984	/nfs/dbraw/zinc/87/19/84/276871984.db2.gz	NCAHMWZATYRKEX-UITAMQMPSA-N	-1	1	285.777	2.877	40	10		CFCBMM
CC1(C)Cc2cc(C=C3SC(=S)[N-]C3=O)ccc2O1	ZINC000010299381	278394859	/nfs/dbraw/zinc/39/48/59/278394859.db2.gz	VEXWYDYNVTYSRC-IZZDOVSWSA-N	-1	1	291.397	2.889	40	10		CFCBMM
Nc1ccc(SCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC000006548114	170212316	/nfs/dbraw/zinc/21/23/16/170212316.db2.gz	QBTGHQAGFVKOBL-UHFFFAOYSA-N	-1	1	275.329	2.655	40	10		CFCBMM
O=C1[N-]C(=S)S/C1=C/c1cc2ccccc2[nH]1	ZINC000114248742	347771264	/nfs/dbraw/zinc/77/12/64/347771264.db2.gz	LLOXLVIPXQGLRK-UXBLZVDNSA-N	-1	1	260.343	2.657	40	10		CFCBMM
O=C1[N-]C(=O)C(=Cc2ccc(N3CCCC3)cc2)S1	ZINC000168602451	348049335	/nfs/dbraw/zinc/04/93/35/348049335.db2.gz	HTZHSSGWNWZFSA-FMIVXFBMSA-N	-1	1	274.345	2.611	40	10		CFCBMM
Cc1cccc(N2[N-]C(=O)/C(=C/c3cccs3)C2=O)c1	ZINC000004470672	371857306	/nfs/dbraw/zinc/85/73/06/371857306.db2.gz	SVDMAVQJNDAOAQ-LCYFTJDESA-N	-1	1	284.340	2.518	40	10		CFCBMM
C[C@H](Cc1ccccc1)[NH2+]CC(=O)c1ccc([O-])c(O)c1	ZINC000006494144	170206455	/nfs/dbraw/zinc/20/64/55/170206455.db2.gz	XCVZMAGJKSOXDE-GFCCVEGCSA-N	-1	1	285.343	2.501	40	10		CFCBMM
CN(C)c1ccc(-c2nc3cccc(C(=O)[O-])c3[nH]2)cc1	ZINC000006733632	170236483	/nfs/dbraw/zinc/23/64/83/170236483.db2.gz	AENBPQWURKTNBE-UHFFFAOYSA-N	-1	1	281.315	2.994	40	10		CFCBMM
CCOc1c(C=C2SC(=S)[N-]C2=O)cccc1OC	ZINC000006944093	170258090	/nfs/dbraw/zinc/25/80/90/170258090.db2.gz	LXMUIZLLTWJBNZ-YFHOEESVSA-N	-1	1	295.385	2.994	40	10		CFCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccccn1	ZINC000409248727	380955753	/nfs/dbraw/zinc/95/57/53/380955753.db2.gz	IFUUCQJRPURQAM-XYOKQWHBSA-N	-1	1	299.355	2.813	40	10		CFCBMM
O=C1[N-]C(=S)S/C1=C\c1ccnc2ccccc12	ZINC000013213589	280281969	/nfs/dbraw/zinc/28/19/69/280281969.db2.gz	GTYFFRFEABSUHZ-XFFZJAGNSA-N	-1	1	272.354	2.724	40	10		CFCBMM
O=C1[N-]C(=S)C(=Cc2ccc([N+](=O)[O-])cc2)S1	ZINC000028166566	280281161	/nfs/dbraw/zinc/28/11/61/280281161.db2.gz	ADPLROBYTCRDQH-VMPITWQZSA-N	-1	1	266.303	2.720	40	10		CFCBMM
CCN(CC)c1ccc(C=C2SC(=O)[N-]C2=O)c(O)c1	ZINC000005261333	170080738	/nfs/dbraw/zinc/08/07/38/170080738.db2.gz	CRRHSTJCJCPYGO-KPKJPENVSA-N	-1	1	292.360	2.562	40	10		CFCBMM
C[C@H]1C[C@@H]1c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000008117282	170319602	/nfs/dbraw/zinc/31/96/02/170319602.db2.gz	MLGAUACWGHSKQL-FQSHVDOQSA-N	-1	1	265.359	2.892	40	10		CFCBMM
Cn1c(=S)[n-]nc1-c1ccc(-n2cccc2)cc1	ZINC000228973245	302893945	/nfs/dbraw/zinc/89/39/45/302893945.db2.gz	BSBMSCUJTADKBT-UHFFFAOYSA-N	-1	1	256.334	2.935	40	10		CFCBMM
Cc1n[n-]c(=S)n1NCc1ccc(N2CCCC2)cc1	ZINC000008416692	170335796	/nfs/dbraw/zinc/33/57/96/170335796.db2.gz	UBCAKBJLGQMPHN-UHFFFAOYSA-N	-1	1	289.408	2.593	40	10		CFCBMM
C[N@@H+](CC(=O)[O-])Cc1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000001677218	371696998	/nfs/dbraw/zinc/69/69/98/371696998.db2.gz	AFNKCFYOQROHMA-UHFFFAOYSA-N	-1	1	298.553	2.869	40	10	in-vitro	CFCBMM
CCOc1cc(C=C2SC(=O)[N-]C2=S)ccc1O	ZINC000016776722	372119989	/nfs/dbraw/zinc/11/99/89/372119989.db2.gz	MNNCACNGPCJJIF-POHAHGRESA-N	-1	1	281.358	2.916	40	10		CFCBMM
Cc1cc(N2CCCC2)ccc1C=C1SC(=O)[N-]C1=O	ZINC000214315420	348161625	/nfs/dbraw/zinc/16/16/25/348161625.db2.gz	IYUNFJQHXACZGE-UKTHLTGXSA-N	-1	1	288.372	2.919	40	10		CFCBMM
CCCC/C(C)=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000004866353	170033656	/nfs/dbraw/zinc/03/36/56/170033656.db2.gz	LTEMLJIRLZVLTI-QBFSEMIESA-N	-1	1	258.321	2.571	40	10		CFCBMM
Cc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)s1	ZINC000208687769	348157453	/nfs/dbraw/zinc/15/74/53/348157453.db2.gz	BZMXDVWVZHZVNW-LCYFTJDESA-N	-1	1	284.340	2.518	40	10		CFCBMM
O=C1[N-]C(=S)S/C1=C\C=C\c1ccccc1[N+](=O)[O-]	ZINC000002045563	371715794	/nfs/dbraw/zinc/71/57/94/371715794.db2.gz	YJHOWNVOZSVMOV-JEFLAVHQSA-N	-1	1	292.341	2.640	40	10		CFCBMM
N#CCn1cc(C=C2SC(=S)[N-]C2=O)c2ccccc21	ZINC000006616426	346215339	/nfs/dbraw/zinc/21/53/39/346215339.db2.gz	HBAJGKWAAFZOFR-KPKJPENVSA-N	-1	1	299.380	2.654	40	10		CFCBMM
O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])ccc21	ZINC000000898768	371654202	/nfs/dbraw/zinc/65/42/02/371654202.db2.gz	MJBPUQUGJNAPAZ-CQSZACIVSA-N	-1	1	272.256	2.510	40	10	biogenic,in-vitro	CFCBMM
COc1cc(C)c(C=C2SC(=S)[N-]C2=O)cc1OC	ZINC000408547912	380941602	/nfs/dbraw/zinc/94/16/02/380941602.db2.gz	ASQDTHVKALDQAT-IZZDOVSWSA-N	-1	1	295.385	2.501	40	10		CFCBMM
CCCc1n[n-]c(=S)n1NCc1ccc(N(C)C)cc1	ZINC000007365447	170279361	/nfs/dbraw/zinc/27/93/61/170279361.db2.gz	JMEYSXFDSRUABX-UHFFFAOYSA-N	-1	1	291.424	2.703	40	10		CFCBMM
C[C@H]1C[C@H]1c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000008117284	170319872	/nfs/dbraw/zinc/31/98/72/170319872.db2.gz	MLGAUACWGHSKQL-JQVGVLFISA-N	-1	1	265.359	2.892	40	10		CFCBMM
CCN(CC)C(=S)SCC(=O)c1ccc([O-])c(O)c1	ZINC000008244790	170326654	/nfs/dbraw/zinc/32/66/54/170326654.db2.gz	HVDFQOYSYVXSIM-UHFFFAOYSA-N	-1	1	299.417	2.640	40	10		CFCBMM
Nc1nc2c(c(=O)[n-]1)=NC(=NNc1ccc(Cl)cc1)N=2	ZINC000104346043	375780040	/nfs/dbraw/zinc/78/00/40/375780040.db2.gz	GJEUVQDKRXQRST-HNENSFHCSA-N	-1	1	289.686	2.710	40	10		CFCBMM
CCN(CC)c1ccc(C=C2NC(=O)[N-]C2=S)cc1	ZINC000005393298	170094028	/nfs/dbraw/zinc/09/40/28/170094028.db2.gz	CMHQMNNUOBYHLZ-FMIVXFBMSA-N	-1	1	275.377	2.514	40	10		CFCBMM
O=C1[N-]C(=S)S/C1=C\C=C/c1ccccc1[N+](=O)[O-]	ZINC000006097514	170176315	/nfs/dbraw/zinc/17/63/15/170176315.db2.gz	YJHOWNVOZSVMOV-TYWVWOHTSA-N	-1	1	292.341	2.640	40	10		CFCBMM
CN(C)c1ccc(C=CC=C2SC(=O)[N-]C2=O)cc1	ZINC000003044238	371770249	/nfs/dbraw/zinc/77/02/49/371770249.db2.gz	DWEIFYSAMGRMQR-ZDHPXMGNSA-N	-1	1	274.345	2.633	40	10		CFCBMM
CCc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000000446836	371616590	/nfs/dbraw/zinc/61/65/90/371616590.db2.gz	IAHPLNHUKFXLIG-VBKFSLOCSA-N	-1	1	292.338	2.710	40	10		CFCBMM
Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1C1CCCC1	ZINC000408775574	380948019	/nfs/dbraw/zinc/94/80/19/380948019.db2.gz	IHEJEWJQFPWORG-MDWZMJQESA-N	-1	1	289.404	2.565	40	10		CFCBMM
O=C1[N-]C(=S)S/C1=C/c1ccc(O)c(Cl)c1	ZINC000209250739	296359659	/nfs/dbraw/zinc/35/96/59/296359659.db2.gz	HBQASEGZXOTHNB-XBXARRHUSA-N	-1	1	271.750	2.534	40	10		CFCBMM
O=C1[N-]C(=S)S/C1=C/c1ccnc2ccccc12	ZINC000006269908	280281501	/nfs/dbraw/zinc/28/15/01/280281501.db2.gz	GTYFFRFEABSUHZ-YRNVUSSQSA-N	-1	1	272.354	2.724	40	10		CFCBMM
O=C1[N-]C(=S)SC1=CNc1ccc(Cl)cc1	ZINC000584906296	348733474	/nfs/dbraw/zinc/73/34/74/348733474.db2.gz	WTCSAICRBJKKME-YVMONPNESA-N	-1	1	270.766	2.741	40	10		CFCBMM