smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1	ZINC000217506145	569447511	/nfs/dbraw/zinc/44/75/11/569447511.db2.gz	RMGAZJVCFXDHHN-JOCHJYFZSA-N	0	0	426.925	5.156	50	70		IKIARN
O=C(N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1)C1(c2cccs2)CCCC1	ZINC000217799355	569453363	/nfs/dbraw/zinc/45/33/63/569453363.db2.gz	UJZQPNLACYSGSL-QGZVFWFLSA-N	0	0	439.556	5.230	50	70		IKIARN
O=C(c1ccccc1SC(F)F)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	ZINC000217800632	569453408	/nfs/dbraw/zinc/45/34/08/569453408.db2.gz	BTSKWVOFOVZPNI-AWEZNQCLSA-N	0	0	447.482	5.285	50	70		IKIARN
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)n1	ZINC000217828138	569453802	/nfs/dbraw/zinc/45/38/02/569453802.db2.gz	GUOFRNHXXKXTJG-MRXNPFEDSA-N	0	0	429.442	5.159	50	70		IKIARN
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccccc3OC(F)(F)F)C2)n1	ZINC000217832098	569453927	/nfs/dbraw/zinc/45/39/27/569453927.db2.gz	COYYWJQXTXKUEH-MRXNPFEDSA-N	0	0	445.441	5.039	50	70		IKIARN
CCCCOc1ccc(NC(=O)N2CCC[C@H](Cc3nc(-c4ccccc4C)no3)C2)cc1	ZINC000217833678	568901676	/nfs/dbraw/zinc/90/16/76/568901676.db2.gz	IOXYCULBASENEV-HXUWFJFHSA-N	0	0	448.567	5.711	50	70		IKIARN
O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1-c1csc(-c2ccccc2F)n1	ZINC000217651857	569451102	/nfs/dbraw/zinc/45/11/02/569451102.db2.gz	IGMWGGIFGATKOR-UHFFFAOYSA-N	0	0	448.475	5.362	50	70		IKIARN
O=C(N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1)C1(c2cccs2)CCCC1	ZINC000217799279	569453362	/nfs/dbraw/zinc/45/33/62/569453362.db2.gz	UJZQPNLACYSGSL-KRWDZBQOSA-N	0	0	439.556	5.230	50	70		IKIARN
O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	ZINC000217802307	569453570	/nfs/dbraw/zinc/45/35/70/569453570.db2.gz	BCNINVZLGVLCSR-AWEZNQCLSA-N	0	0	448.420	5.381	50	70		IKIARN
COc1ccc(-c2n[nH]cc2C(=O)N[C@H](c2nc3ccccc3n2C(C)C)C(C)C)cc1	ZINC000218166703	557180780	/nfs/dbraw/zinc/18/07/80/557180780.db2.gz	JDGVKQZSXASLAY-QFIPXVFZSA-N	0	0	431.540	5.143	50	70		IKIARN
O=C(/C=C/c1ccccc1Cl)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	ZINC000217795205	568901651	/nfs/dbraw/zinc/90/16/51/568901651.db2.gz	AYWHCKFQPTYOKR-PCUGXKRQSA-N	0	0	425.891	5.024	50	70		IKIARN
COc1ccc(C(=O)COc2ccc3occ(-c4ccc(OC)c(OC)c4)c3c2)cc1OC	ZINC000217736949	569452370	/nfs/dbraw/zinc/45/23/70/569452370.db2.gz	GJVQIPVIQIKSQE-UHFFFAOYSA-N	0	0	448.471	5.396	50	70	biogenic	IKIARN
O=C(c1ccccc1SC(F)F)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	ZINC000217800707	569453388	/nfs/dbraw/zinc/45/33/88/569453388.db2.gz	BTSKWVOFOVZPNI-CQSZACIVSA-N	0	0	447.482	5.285	50	70		IKIARN
O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	ZINC000217802380	569453556	/nfs/dbraw/zinc/45/35/56/569453556.db2.gz	BCNINVZLGVLCSR-CQSZACIVSA-N	0	0	448.420	5.381	50	70		IKIARN
O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2sc(N3CCCCC3)nc2c1	ZINC000217462336	569446409	/nfs/dbraw/zinc/44/64/09/569446409.db2.gz	XNBPUYBJVNGDHQ-UHFFFAOYSA-N	0	0	437.348	5.578	50	70		IKIARN
COc1ccc(-c2coc3ccc(OCc4ccc(C(=O)OC(C)C)o4)cc32)cc1OC	ZINC000217767091	569452990	/nfs/dbraw/zinc/45/29/90/569452990.db2.gz	RCPYJIQHPCQYSV-UHFFFAOYSA-N	0	0	436.460	5.854	50	70	biogenic	IKIARN
COc1ccc(C2(C(=O)N[C@H](c3nc4ccccc4n3C(C)C)C(C)C)CCOCC2)cc1	ZINC000217961835	569455342	/nfs/dbraw/zinc/45/53/42/569455342.db2.gz	HPWPFZXTXGQZAQ-DEOSSOPVSA-N	0	0	449.595	5.188	50	70	biogenic	IKIARN
COc1ccc(-c2coc3ccc(OCC(=O)c4ccc(NC(C)=O)cc4)cc32)cc1OC	ZINC000217797265	569453410	/nfs/dbraw/zinc/45/34/10/569453410.db2.gz	HRRTXEGASYKBPK-UHFFFAOYSA-N	0	0	445.471	5.337	50	70	biogenic	IKIARN
O=C(/C=C/c1ccccc1Cl)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	ZINC000217795112	569453412	/nfs/dbraw/zinc/45/34/12/569453412.db2.gz	AYWHCKFQPTYOKR-LPQFERQCSA-N	0	0	425.891	5.024	50	70		IKIARN
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccccc3OC(F)(F)F)C2)n1	ZINC000217832059	569453902	/nfs/dbraw/zinc/45/39/02/569453902.db2.gz	COYYWJQXTXKUEH-INIZCTEOSA-N	0	0	445.441	5.039	50	70		IKIARN
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1	ZINC000217833227	569453908	/nfs/dbraw/zinc/45/39/08/569453908.db2.gz	ACADXBIJCFKDET-MRXNPFEDSA-N	0	0	444.457	5.550	50	70		IKIARN
CCCCOc1ccc(NC(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4C)no3)C2)cc1	ZINC000217833792	569453923	/nfs/dbraw/zinc/45/39/23/569453923.db2.gz	IOXYCULBASENEV-FQEVSTJZSA-N	0	0	448.567	5.711	50	70		IKIARN
Cn1nc(CN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C2CCCC2)c2c1CCC2	ZINC000217909651	569454805	/nfs/dbraw/zinc/45/48/05/569454805.db2.gz	QPPRQVMCMZUPTO-UHFFFAOYSA-N	0	0	426.004	5.345	50	70		IKIARN
CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)N1CCCC[C@H]1c1cccnc1	ZINC000218110971	569456393	/nfs/dbraw/zinc/45/63/93/569456393.db2.gz	TVAWPOZLAMHKJD-PMACEKPBSA-N	0	0	433.379	5.654	50	70	biogenic	IKIARN
Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000217631697	569450378	/nfs/dbraw/zinc/45/03/78/569450378.db2.gz	YMBOXNRSLXOJBC-HXUWFJFHSA-N	0	0	435.446	5.133	50	70		IKIARN
Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000217631787	569450623	/nfs/dbraw/zinc/45/06/23/569450623.db2.gz	YMBOXNRSLXOJBC-FQEVSTJZSA-N	0	0	435.446	5.133	50	70		IKIARN
COC(=O)c1cccc(COc2ccc3occ(-c4cc(OC)c(OC)c(OC)c4)c3c2)c1	ZINC000217786941	569453207	/nfs/dbraw/zinc/45/32/07/569453207.db2.gz	BLBZTUATDCQXRS-UHFFFAOYSA-N	0	0	448.471	5.491	50	70	biogenic	IKIARN
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1	ZINC000217833151	569453901	/nfs/dbraw/zinc/45/39/01/569453901.db2.gz	ACADXBIJCFKDET-INIZCTEOSA-N	0	0	444.457	5.550	50	70		IKIARN
Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1nn(C)c2c1CCC2)C1CCCC1	ZINC000217910040	569454825	/nfs/dbraw/zinc/45/48/25/569454825.db2.gz	WGRSYLDDQMHWEC-UHFFFAOYSA-N	0	0	438.959	5.111	50	70		IKIARN
CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)N1CCCC[C@H]1c1cccnc1	ZINC000218111046	569456401	/nfs/dbraw/zinc/45/64/01/569456401.db2.gz	TVAWPOZLAMHKJD-UXHICEINSA-N	0	0	433.379	5.654	50	70	biogenic	IKIARN
CC(C)[C@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2n1C(C)C	ZINC000218363324	557195308	/nfs/dbraw/zinc/19/53/08/557195308.db2.gz	DMGWOKSVKWBOFE-QHCPKHFHSA-N	0	0	438.641	5.545	50	70		IKIARN
Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1	ZINC000218567484	557208027	/nfs/dbraw/zinc/20/80/27/557208027.db2.gz	DVXQKLKKEXAAOH-NRFANRHFSA-N	0	0	435.959	5.361	50	70		IKIARN
Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@](C)(O)c1cc2ccccc2s1	ZINC000217506062	569447521	/nfs/dbraw/zinc/44/75/21/569447521.db2.gz	RMGAZJVCFXDHHN-QFIPXVFZSA-N	0	0	426.925	5.156	50	70		IKIARN
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)n1	ZINC000217828067	569453806	/nfs/dbraw/zinc/45/38/06/569453806.db2.gz	GUOFRNHXXKXTJG-INIZCTEOSA-N	0	0	429.442	5.159	50	70		IKIARN