smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc(-c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)n[nH]1	ZINC000161277199	567895631	/nfs/dbraw/zinc/89/56/31/567895631.db2.gz	SODLDZJMDCONBN-UHFFFAOYSA-N	0	0	361.232	4.593	20	70		FJIDRN
CCc1nc(-c2ccccc2NC(=O)c2cc(Cl)sc2Cl)n[nH]1	ZINC000161241229	567897225	/nfs/dbraw/zinc/89/72/25/567897225.db2.gz	OYUAQTPAQVIRLB-UHFFFAOYSA-N	0	0	367.261	4.655	20	70		FJIDRN
Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(Cl)cc1-n1cccc1	ZINC000159398119	568248794	/nfs/dbraw/zinc/24/87/94/568248794.db2.gz	FQYJYJHEKSPJKB-NSHDSACASA-N	0	0	358.829	4.618	20	70		FJIDRN
Cc1nc(-c2ccccc2NC(=O)[C@@H](C)Oc2cccc(C)c2)cs1	ZINC000218585171	568241132	/nfs/dbraw/zinc/24/11/32/568241132.db2.gz	BMJSJFAELKEEQD-CQSZACIVSA-N	0	0	352.459	4.833	20	70		FJIDRN
Cc1ccc(-c2nnc([C@H](C)N3CCC(OCC(C)C)CC3)o2)cc1C	ZINC000160956262	567840657	/nfs/dbraw/zinc/84/06/57/567840657.db2.gz	XFIITNTYTWMJDF-KRWDZBQOSA-N	0	0	357.498	4.551	20	70		FJIDRN
Cc1nc2ccccc2cc1C(=O)Nc1cccc(Br)c1C	ZINC000216645160	568133030	/nfs/dbraw/zinc/13/30/30/568133030.db2.gz	BYNRIJTUBQXKME-UHFFFAOYSA-N	0	0	355.235	4.866	20	70		FJIDRN
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(Cl)cc1-n1cccc1	ZINC000159397971	568248688	/nfs/dbraw/zinc/24/86/88/568248688.db2.gz	FQYJYJHEKSPJKB-LLVKDONJSA-N	0	0	358.829	4.618	20	70		FJIDRN
O=C(c1c(F)cc(F)cc1F)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000160664773	568055437	/nfs/dbraw/zinc/05/54/37/568055437.db2.gz	CVRHLHVLKAXAJO-UHFFFAOYSA-N	0	0	374.337	4.654	20	70		FJIDRN
O=C(NCCOc1ccccc1-c1ccccc1)C1CCC(F)(F)CC1	ZINC000160666435	568239708	/nfs/dbraw/zinc/23/97/08/568239708.db2.gz	NVVLZMZZTWBWKA-UHFFFAOYSA-N	0	0	359.416	4.674	20	70		FJIDRN
CC(=O)Nc1cccc(NC(=O)c2cncc(-c3ccc(C)cc3)c2)c1C	ZINC000160924142	567835228	/nfs/dbraw/zinc/83/52/28/567835228.db2.gz	HMCJATNIOQVCRL-UHFFFAOYSA-N	0	0	359.429	4.576	20	70		FJIDRN
C[C@H](C(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCOCC1	ZINC000161016965	567852219	/nfs/dbraw/zinc/85/22/19/567852219.db2.gz	IPWJCMSQULMPGK-QWQRMKEZSA-N	0	0	369.427	4.678	20	70		FJIDRN
COCc1ccc([C@@H]2CCCN2C(=O)c2csc(-c3ccsc3)n2)o1	ZINC000161196938	567891154	/nfs/dbraw/zinc/89/11/54/567891154.db2.gz	XWRUGJDKRQSSLO-HNNXBMFYSA-N	0	0	374.487	4.588	20	70		FJIDRN
Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)n(-c2ccc(F)cc2)n1	ZINC000217564889	568192242	/nfs/dbraw/zinc/19/22/42/568192242.db2.gz	KNYGRCFJFRSAAD-SJORKVTESA-N	0	0	369.827	4.715	20	70		FJIDRN
CCc1nc(-c2ccccc2NC(=O)c2cc(Cl)ccc2Cl)n[nH]1	ZINC000160982408	567846741	/nfs/dbraw/zinc/84/67/41/567846741.db2.gz	PUCMOFZQGJVIGL-UHFFFAOYSA-N	0	0	361.232	4.593	20	70		FJIDRN
CCc1nc(-c2ccccc2NC(=O)c2cccc(Cl)c2Cl)n[nH]1	ZINC000161225795	567888162	/nfs/dbraw/zinc/88/81/62/567888162.db2.gz	HBJJGOUHVQOZLV-UHFFFAOYSA-N	0	0	361.232	4.593	20	70		FJIDRN
COCc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)o1	ZINC000161200989	567892084	/nfs/dbraw/zinc/89/20/84/567892084.db2.gz	LIVYDFRENZCBPV-SQNIBIBYSA-N	0	0	359.853	4.547	20	70		FJIDRN
CCc1nnc(-c2ccc(NC(=O)N3C[C@H](C)[C@H]3c3ccccc3)cc2)o1	ZINC000161448480	567935520	/nfs/dbraw/zinc/93/55/20/567935520.db2.gz	NJHAFBNDMICKLD-LIRRHRJNSA-N	0	0	362.433	4.524	20	70		FJIDRN
COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)o1	ZINC000161426651	567931085	/nfs/dbraw/zinc/93/10/85/567931085.db2.gz	XNCICMCKIUVGHA-NUJGCVRESA-N	0	0	359.853	4.547	20	70		FJIDRN
COCc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)o1	ZINC000161467873	567938792	/nfs/dbraw/zinc/93/87/92/567938792.db2.gz	BQYANYOVKSBVCC-SQNIBIBYSA-N	0	0	359.853	4.547	20	70		FJIDRN
Cc1ccc(-c2nnc([C@@H](C)N3CCC(OCC(C)C)CC3)o2)cc1C	ZINC000160956145	567840620	/nfs/dbraw/zinc/84/06/20/567840620.db2.gz	XFIITNTYTWMJDF-QGZVFWFLSA-N	0	0	357.498	4.551	20	70		FJIDRN
C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(Cl)cc1-n1cccc1	ZINC000159444976	568484259	/nfs/dbraw/zinc/48/42/59/568484259.db2.gz	KTXDOHJEIFCLFB-AWEZNQCLSA-N	0	0	354.841	4.751	20	70		FJIDRN
O=C(Nc1ccccc1-c1ccccc1)c1csc([C@H]2CCCO2)n1	ZINC000160665025	568065063	/nfs/dbraw/zinc/06/50/63/568065063.db2.gz	XEKQYPUDOJHDHC-GOSISDBHSA-N	0	0	350.443	4.914	20	70		FJIDRN
COCc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)o1	ZINC000161426863	567931050	/nfs/dbraw/zinc/93/10/50/567931050.db2.gz	XNCICMCKIUVGHA-RYRKJORJSA-N	0	0	359.853	4.547	20	70		FJIDRN
Cc1ccc(-c2nc(C(=O)NC(C)(C)c3nccs3)cs2)c(C)c1	ZINC000217221644	568163037	/nfs/dbraw/zinc/16/30/37/568163037.db2.gz	QHBPOKQLSUGYPX-UHFFFAOYSA-N	0	0	357.504	4.549	20	70		FJIDRN
C[C@H](C(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCOCC1	ZINC000161016768	567849717	/nfs/dbraw/zinc/84/97/17/567849717.db2.gz	IPWJCMSQULMPGK-GLJUWKHASA-N	0	0	369.427	4.678	20	70		FJIDRN
COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1	ZINC000161200723	567892159	/nfs/dbraw/zinc/89/21/59/567892159.db2.gz	LIVYDFRENZCBPV-KURKYZTESA-N	0	0	359.853	4.547	20	70		FJIDRN
CCc1nnc(-c2ccc(NC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)cc2)o1	ZINC000161448358	567935543	/nfs/dbraw/zinc/93/55/43/567935543.db2.gz	NJHAFBNDMICKLD-AUUYWEPGSA-N	0	0	362.433	4.524	20	70		FJIDRN
COCc1ccc([C@H]2CCCN2C(=O)c2csc(-c3ccsc3)n2)o1	ZINC000161197079	567891184	/nfs/dbraw/zinc/89/11/84/567891184.db2.gz	XWRUGJDKRQSSLO-OAHLLOKOSA-N	0	0	374.487	4.588	20	70		FJIDRN
CCc1nnc(-c2ccc(NC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)cc2)o1	ZINC000161448236	567935423	/nfs/dbraw/zinc/93/54/23/567935423.db2.gz	NJHAFBNDMICKLD-IFXJQAMLSA-N	0	0	362.433	4.524	20	70		FJIDRN
COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)o1	ZINC000161467621	567938769	/nfs/dbraw/zinc/93/87/69/567938769.db2.gz	BQYANYOVKSBVCC-KURKYZTESA-N	0	0	359.853	4.547	20	70		FJIDRN
CCc1nnc(-c2ccc(NC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)cc2)o1	ZINC000161448602	567935547	/nfs/dbraw/zinc/93/55/47/567935547.db2.gz	NJHAFBNDMICKLD-KUHUBIRLSA-N	0	0	362.433	4.524	20	70		FJIDRN
O=C(Nc1ccccc1-c1ccccc1)c1csc([C@@H]2CCCO2)n1	ZINC000160664885	568055240	/nfs/dbraw/zinc/05/52/40/568055240.db2.gz	XEKQYPUDOJHDHC-SFHVURJKSA-N	0	0	350.443	4.914	20	70		FJIDRN
C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(Cl)cc1-n1cccc1	ZINC000159445121	568484409	/nfs/dbraw/zinc/48/44/09/568484409.db2.gz	KTXDOHJEIFCLFB-CQSZACIVSA-N	0	0	354.841	4.751	20	70		FJIDRN