smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NN=C2C=CC(=O)C(C=C3SC(=O)[N-]C3=O)=C2)cc1C	ZINC000408725504	570679430	/nfs/dbraw/zinc/67/94/30/570679430.db2.gz	KVLLONSAZFZOEQ-UKAHEONWSA-N	-1	1	353.403	4.748	40	10		FJCBMM
O=C1/C(=C/c2ccc([O-])c(Cl)c2)SC(=S)N1c1cccc(F)c1	ZINC000409327396	570749979	/nfs/dbraw/zinc/74/99/79/570749979.db2.gz	JKZNIGFQUAOGLN-AUWJEWJLSA-N	-1	1	365.838	4.591	40	10		FJCBMM
Cc1cc2c(cc1C=C1SC(=S)[N-]C1=O)[C@H](C)CC(C)(C)N2C(C)C	ZINC000223599249	132279599	/nfs/dbraw/zinc/27/95/99/132279599.db2.gz	LCXHHKSLPFDNMU-LFMVTYOGSA-N	-1	1	374.575	4.984	40	10		FJCBMM
CC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(Cl)c3)c2=O)cc1	ZINC000408529932	570508891	/nfs/dbraw/zinc/50/88/91/570508891.db2.gz	KNIGFDWRSYTTQC-WQRHYEAKSA-N	-1	1	367.836	4.570	40	10		FJCBMM
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3cccc4ccccc43)c2=O)cc1	ZINC000112118920	570810954	/nfs/dbraw/zinc/81/09/54/570810954.db2.gz	WYABTTIOTRVIIH-JCMHNJIXSA-N	-1	1	371.440	4.957	40	10		FJCBMM
CC(=Nc1cccc(Br)c1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112118561	570810961	/nfs/dbraw/zinc/81/09/61/570810961.db2.gz	YOZAXXUPXRJFCI-ATVHPVEESA-N	-1	1	370.250	4.558	40	10		FJCBMM
O=C1[N-]C(=O)C(=CC2=CC(=NNc3ccccc3Cl)C=CC2=O)S1	ZINC000408725965	570679524	/nfs/dbraw/zinc/67/95/24/570679524.db2.gz	RCTREFFNJXRRSU-RKXUONLDSA-N	-1	1	359.794	4.785	40	10		FJCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(C(C)C)cc1	ZINC000408998940	570710123	/nfs/dbraw/zinc/71/01/23/570710123.db2.gz	QWWZXBMILXFISI-YVLHZVERSA-N	-1	1	356.516	4.706	40	10		FJCBMM
Cc1cccc(NCc2cc(Br)cc(Br)c2[O-])c1	ZINC000409111239	570725631	/nfs/dbraw/zinc/72/56/31/570725631.db2.gz	BOYXMFYMMTXMQF-UHFFFAOYSA-N	-1	1	371.072	4.838	40	10		FJCBMM
CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(Cl)c1[O-]	ZINC000033739946	571309846	/nfs/dbraw/zinc/30/98/46/571309846.db2.gz	ZBPFQGMWDSAZSA-GDNBJRDFSA-N	-1	1	374.849	4.527	40	10		FJCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000208529269	206312603	/nfs/dbraw/zinc/31/26/03/206312603.db2.gz	TYLORXZZEMFFKV-BOPFTXTBSA-N	-1	1	370.543	4.880	40	10		FJCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)cc(C)c1OCc1ccc(F)cc1	ZINC000408853191	570692034	/nfs/dbraw/zinc/69/20/34/570692034.db2.gz	ZMJJJQYSZGIQCX-CXUHLZMHSA-N	-1	1	373.474	4.510	40	10		FJCBMM
O=C1[N-]C(=S)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000001081982	219366176	/nfs/dbraw/zinc/36/61/76/219366176.db2.gz	VRRGUXZKRFEHEL-WUXMJOGZSA-N	-1	1	356.255	4.742	40	10		FJCBMM
CC(C)N1c2ccc(C=C3SC(=S)[N-]C3=O)cc2[C@H](C)CC1(C)C	ZINC000260565358	570820502	/nfs/dbraw/zinc/82/05/02/570820502.db2.gz	IEBLYRNVZADEQU-GFQQVXNGSA-N	-1	1	360.548	4.676	40	10		FJCBMM
O=C1[N-]C(=S)S/C1=C\c1ccccc1Sc1ccc(Cl)cc1	ZINC000013602862	206304521	/nfs/dbraw/zinc/30/45/21/206304521.db2.gz	YRZLXCJMKYAYHA-ZROIWOOFSA-N	-1	1	363.916	4.980	40	10		FJCBMM
Cc1cc2c(cc1C=C1SC(=O)[N-]C1=O)[C@H](C)CC(C)(C)N2C(C)C	ZINC000223598986	132279675	/nfs/dbraw/zinc/27/96/75/132279675.db2.gz	YVNIRKRFHUVCLA-LFMVTYOGSA-N	-1	1	358.507	4.820	40	10		FJCBMM
O=C1/C(=C\c2ccc([O-])c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	ZINC000409092088	570722019	/nfs/dbraw/zinc/72/20/19/570722019.db2.gz	SVTVIKSVFVDBKZ-AQTBWJFISA-N	-1	1	374.827	4.880	40	10		FJCBMM
CC(C)N1c2ccc(C=C3SC(=S)[N-]C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223550438	132279787	/nfs/dbraw/zinc/27/97/87/132279787.db2.gz	IEBLYRNVZADEQU-RGZVIEDOSA-N	-1	1	360.548	4.676	40	10		FJCBMM
Cc1ccc(NN=C2C=CC(=O)C(C=C3SC(=S)[N-]C3=O)=C2)cc1C	ZINC000408724516	570678478	/nfs/dbraw/zinc/67/84/78/570678478.db2.gz	FFTJYQNVTGFQHO-UKAHEONWSA-N	-1	1	369.471	4.913	40	10		FJCBMM
[O-]c1c(Br)cc(Br)cc1CNc1ccccc1	ZINC000409109510	570725176	/nfs/dbraw/zinc/72/51/76/570725176.db2.gz	GKLMBMCQIVNFEH-UHFFFAOYSA-N	-1	1	357.045	4.529	40	10		FJCBMM
CCN1c2cc(C)c(C=C3SC(=S)[N-]C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223577415	535784910	/nfs/dbraw/zinc/78/49/10/535784910.db2.gz	BERMPDQZXWWVLE-RGZVIEDOSA-N	-1	1	360.548	4.596	40	10		FJCBMM
CCCCCCOc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O	ZINC000408539074	570526142	/nfs/dbraw/zinc/52/61/42/570526142.db2.gz	FDVUIDMCENLYNA-GXDHUFHOSA-N	-1	1	355.912	4.788	40	10		FJCBMM
Cc1ccccc1NCc1cc(Br)cc(Br)c1[O-]	ZINC000409128416	570730092	/nfs/dbraw/zinc/73/00/92/570730092.db2.gz	FLSBOLOJWGPBAM-UHFFFAOYSA-N	-1	1	371.072	4.838	40	10		FJCBMM
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3SC(=S)[N-]C3=O)cc21	ZINC000208243698	132268535	/nfs/dbraw/zinc/26/85/35/132268535.db2.gz	JWKABXNZUKFTPO-ISKYKNHCSA-N	-1	1	366.939	4.551	40	10		FJCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000005612806	207109617	/nfs/dbraw/zinc/10/96/17/207109617.db2.gz	TYLORXZZEMFFKV-GZTJUZNOSA-N	-1	1	370.543	4.880	40	10		FJCBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Cl)c3)SC2=S)cc1	ZINC000057555159	221091343	/nfs/dbraw/zinc/09/13/43/221091343.db2.gz	OVJVRMMAFKYJOU-DHDCSXOGSA-N	-1	1	361.875	4.760	40	10		FJCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cc(Cl)ccc1C	ZINC000408991685	570708528	/nfs/dbraw/zinc/70/85/28/570708528.db2.gz	OWLUWEVYDNRUTJ-CHHVJCJISA-N	-1	1	362.907	4.545	40	10		FJCBMM
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3ccc(Cl)c(F)c3)c2=O)cc1	ZINC000112119054	570810771	/nfs/dbraw/zinc/81/07/71/570810771.db2.gz	WPQNINZLVYXDLK-WQRHYEAKSA-N	-1	1	373.815	4.596	40	10		FJCBMM
O=C1[N-]C(=O)C(=CC2=CC(=NNc3cccc(Cl)c3)C=CC2=O)S1	ZINC000408725560	570679404	/nfs/dbraw/zinc/67/94/04/570679404.db2.gz	LWIVENILUCUKKU-KIVMVORFSA-N	-1	1	359.794	4.785	40	10		FJCBMM
Cc1cccc(N2C(=O)/C(=C/c3ccc([O-])c(Cl)c3)SC2=S)c1	ZINC000409327723	570750034	/nfs/dbraw/zinc/75/00/34/570750034.db2.gz	LUBWWNPSEDWBHO-DHDCSXOGSA-N	-1	1	361.875	4.760	40	10		FJCBMM
O=C1/C(=C\c2ccc([O-])c(Cl)c2)SC(=S)N1C1CCCCC1	ZINC000015008866	570828929	/nfs/dbraw/zinc/82/89/29/570828929.db2.gz	VFPSNLBPMLJXJU-NTEUORMPSA-N	-1	1	353.896	4.580	40	10		FJCBMM
Cc1cc2c(cc1C=C1SC(=S)[N-]C1=O)[C@@H](C)CC(C)(C)N2C(C)C	ZINC000223599191	132279795	/nfs/dbraw/zinc/27/97/95/132279795.db2.gz	LCXHHKSLPFDNMU-YRUBURHZSA-N	-1	1	374.575	4.984	40	10		FJCBMM
CCN1c2cc(C)c(C=C3SC(=S)[N-]C3=O)cc2C(C)=CC1(C)C	ZINC000208521891	535784815	/nfs/dbraw/zinc/78/48/15/535784815.db2.gz	LRBGFUBWYCAPAJ-CXUHLZMHSA-N	-1	1	358.532	4.506	40	10		FJCBMM
Cc1ccccc1N1C(=O)/C(=C\c2ccc([O-])c(Cl)c2)SC1=S	ZINC000409327483	570749985	/nfs/dbraw/zinc/74/99/85/570749985.db2.gz	KAPXNIAHOHMLSO-OQLLNIDSSA-N	-1	1	361.875	4.760	40	10		FJCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cccc(Cl)c1C	ZINC000015227120	571309696	/nfs/dbraw/zinc/30/96/96/571309696.db2.gz	QJTDHQJCQYOWDJ-NVNXTCNLSA-N	-1	1	362.907	4.545	40	10		FJCBMM
Cc1ccc(NCc2cc(Br)cc(Br)c2[O-])cc1	ZINC000072177437	208185513	/nfs/dbraw/zinc/18/55/13/208185513.db2.gz	BTCXYBANGDKBPG-UHFFFAOYSA-N	-1	1	371.072	4.838	40	10		FJCBMM
Cc1cc2c(cc1C=C1SC(=O)[N-]C1=O)[C@@H](C)CC(C)(C)N2C(C)C	ZINC000223598930	132279770	/nfs/dbraw/zinc/27/97/70/132279770.db2.gz	YVNIRKRFHUVCLA-YRUBURHZSA-N	-1	1	358.507	4.820	40	10		FJCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000409002187	570711046	/nfs/dbraw/zinc/71/10/46/570711046.db2.gz	YUNYHHCENJDDJR-WQRHYEAKSA-N	-1	1	364.495	4.736	40	10		FJCBMM
CCCCCCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1OCC	ZINC000206939541	571310097	/nfs/dbraw/zinc/31/00/97/571310097.db2.gz	ZVCRFIRZAKJJMK-FOWTUZBSSA-N	-1	1	365.520	4.533	40	10		FJCBMM
CCN1c2cc(C)c(C=C3SC(=S)[N-]C3=O)cc2[C@H](C)CC1(C)C	ZINC000208318697	571310108	/nfs/dbraw/zinc/31/01/08/571310108.db2.gz	BERMPDQZXWWVLE-GFQQVXNGSA-N	-1	1	360.548	4.596	40	10		FJCBMM
CC1=CC(C)(C)N(C(C)C)c2ccc(C=C3SC(=S)[N-]C3=O)cc21	ZINC000223482126	132279640	/nfs/dbraw/zinc/27/96/40/132279640.db2.gz	NLDSLXHUVPQFRT-CXUHLZMHSA-N	-1	1	358.532	4.586	40	10		FJCBMM
CC(=Nc1ccc(Cl)c(F)c1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000112116513	570810526	/nfs/dbraw/zinc/81/05/26/570810526.db2.gz	SCHMLOBYYTWVJD-YVLHZVERSA-N	-1	1	361.779	4.727	40	10		FJCBMM
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3SC(=S)[N-]C3=O)cc21	ZINC000208243734	132268692	/nfs/dbraw/zinc/26/86/92/132268692.db2.gz	JWKABXNZUKFTPO-RGEMTFFCSA-N	-1	1	366.939	4.551	40	10		FJCBMM
Cc1cc2c(cc1C=C1SC(=O)[N-]C1=O)C(C)=CC(C)(C)N2C(C)C	ZINC000223508279	132279671	/nfs/dbraw/zinc/27/96/71/132279671.db2.gz	BDDKZWACSOTAJZ-RQZCQDPDSA-N	-1	1	356.491	4.729	40	10		FJCBMM
Cc1cc2c(cc1C=C1SC(=S)[N-]C1=O)C(C)=CC(C)(C)N2C(C)C	ZINC000223508437	132279700	/nfs/dbraw/zinc/27/97/00/132279700.db2.gz	XKNUPRHRWZGYAE-RQZCQDPDSA-N	-1	1	372.559	4.894	40	10		FJCBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1ccccc1N)c1ccccc1	ZINC000100989604	222258889	/nfs/dbraw/zinc/25/88/89/222258889.db2.gz	VPMWDTJUYJAXMU-DQRAZIAOSA-N	-1	1	368.440	4.515	40	10		FJCBMM
O=C1/C(=C/c2ccc([O-])c(Cl)c2)SC(=S)N1c1ccccc1F	ZINC000409334162	263549255	/nfs/dbraw/zinc/54/92/55/263549255.db2.gz	VSACRUQXKIXCJF-ZSOIEALJSA-N	-1	1	365.838	4.591	40	10		FJCBMM