smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(c2cccc(N3CCC[C@]4(C3)COCCN(c3cccc(C#N)n3)C4)n2)CC1	ZINC001164665917	719358907	/nfs/dbraw/zinc/35/89/07/719358907.db2.gz	ZKQGBHOOGSTGFU-RUZDIDTESA-N	0	1	447.587	2.223	20	30		IEEDMN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164736334	720582978	/nfs/dbraw/zinc/58/29/78/720582978.db2.gz	JBCZAELPGDZXSZ-GOSISDBHSA-N	0	1	445.527	2.265	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3cnc(Cl)cc3C#N)CC2)C1	ZINC001164872871	721280786	/nfs/dbraw/zinc/28/07/86/721280786.db2.gz	GZKCCRHQDLDSAK-UHFFFAOYSA-N	0	1	441.910	2.159	20	30		IEEDMN
CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)CC2	ZINC001164686755	719730203	/nfs/dbraw/zinc/73/02/03/719730203.db2.gz	RCDRRGRTGNJWOK-UHFFFAOYSA-N	0	1	427.883	2.341	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3nc(Cl)c(Cl)cc3C#N)CC2)C1	ZINC001164868558	721274709	/nfs/dbraw/zinc/27/47/09/721274709.db2.gz	BWKBIWKXMVIJQG-UHFFFAOYSA-N	0	1	426.348	2.267	20	30		IEEDMN
CN1CCN(Cc2cn3c(n2)CN(c2ccc([C@@H](C#N)c4ccccc4F)nn2)CC3)CC1	ZINC001164799199	721515800	/nfs/dbraw/zinc/51/58/00/721515800.db2.gz	YEMRBRORPPWPJG-FQEVSTJZSA-N	0	1	446.534	2.235	20	30		IEEDMN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCCC12CCN(CC(=O)N(C)C)CC2	ZINC001165011887	721734736	/nfs/dbraw/zinc/73/47/36/721734736.db2.gz	VYKVEVYOODZRPF-UHFFFAOYSA-N	0	1	433.940	2.306	20	30		IEEDMN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164770771	721202262	/nfs/dbraw/zinc/20/22/62/721202262.db2.gz	OIFRAOCKDRHALH-IPMKNSEASA-N	0	1	445.527	2.102	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3c(C#N)cnc4cnc(Cl)cc43)CC2)C1	ZINC001164869382	721265225	/nfs/dbraw/zinc/26/52/25/721265225.db2.gz	MUFKEALWBOUJLL-UHFFFAOYSA-N	0	1	442.951	2.162	20	30		IEEDMN
CSc1nc(Cl)c(C#N)c(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1	ZINC001164890508	721380056	/nfs/dbraw/zinc/38/00/56/721380056.db2.gz	NRAUGYRBXHGQCR-YWZLYKJASA-N	0	1	437.013	2.489	20	30		IEEDMN
CN1CCN(c2ccc(N3CCC[C@@]4(C3)COCCN(c3cccc(C#N)c3)C4)nn2)CC1	ZINC001165005525	722258360	/nfs/dbraw/zinc/25/83/60/722258360.db2.gz	XUVJZFKKRREBPC-RUZDIDTESA-N	0	1	447.587	2.223	20	30		IEEDMN
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164736323	720589252	/nfs/dbraw/zinc/58/92/52/720589252.db2.gz	IKSOCOZLNPBROV-GOSISDBHSA-N	0	1	437.548	2.280	20	30		IEEDMN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1	ZINC001164764458	721103792	/nfs/dbraw/zinc/10/37/92/721103792.db2.gz	HTKJWDRSQBIZRE-RDJZCZTQSA-N	0	1	428.924	2.475	20	30		IEEDMN
Cn1cc(CN2CC[C@@H]3CN(c4nccnc4[C@@H](C#N)C(=O)OC(C)(C)C)C[C@H]3C2)cn1	ZINC001164772831	721225918	/nfs/dbraw/zinc/22/59/18/721225918.db2.gz	VEJAIVFQVJKHKI-GUDVDZBRSA-N	0	1	437.548	2.117	20	30		IEEDMN
CSc1nc(Cl)c(C#N)c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1	ZINC001164890501	721379851	/nfs/dbraw/zinc/37/98/51/721379851.db2.gz	NRAUGYRBXHGQCR-FOIQADDNSA-N	0	1	437.013	2.489	20	30		IEEDMN
Cc1ccc([C@@H](C#N)c2ccc(N3CCn4cc(CN5CCN(C)CC5)nc4C3)nn2)cc1	ZINC001164796620	721509343	/nfs/dbraw/zinc/50/93/43/721509343.db2.gz	UPCYZRKLLIOYQN-JOCHJYFZSA-N	0	1	442.571	2.405	20	30		IEEDMN
CN1CCN(c2ccc(N3CCC[C@]4(C3)COCCN(c3cccc(C#N)c3)C4)nn2)CC1	ZINC001165005526	722258316	/nfs/dbraw/zinc/25/83/16/722258316.db2.gz	XUVJZFKKRREBPC-VWLOTQADSA-N	0	1	447.587	2.223	20	30		IEEDMN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1	ZINC001164770758	721201121	/nfs/dbraw/zinc/20/11/21/721201121.db2.gz	OIFRAOCKDRHALH-GBESFXJTSA-N	0	1	445.527	2.102	20	30		IEEDMN
Cn1cc(CN2CC[C@@H]3CN(c4nccnc4[C@H](C#N)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1	ZINC001164772833	721224638	/nfs/dbraw/zinc/22/46/38/721224638.db2.gz	VEJAIVFQVJKHKI-QYZOEREBSA-N	0	1	437.548	2.117	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)CC2)C1	ZINC001164877113	721262698	/nfs/dbraw/zinc/26/26/98/721262698.db2.gz	QCKANFWURWHAPR-UHFFFAOYSA-N	0	1	441.910	2.159	20	30		IEEDMN
CSc1nc(Cl)c(C=NO)c(N2CCCC23CCN(CC(=O)N(C)C)CC3)n1	ZINC001165011179	721733814	/nfs/dbraw/zinc/73/38/14/721733814.db2.gz	OUJURYFASLXREU-UHFFFAOYSA-N	0	1	426.974	2.183	20	30		IEEDMN
CN1CCO[C@@H]2CN(c3nc4ccccc4nc3C(C#N)S(=O)(=O)c3ccccc3)C[C@H]21	ZINC001164666916	719440850	/nfs/dbraw/zinc/44/08/50/719440850.db2.gz	DUEWODGQECWLGP-NJYVYQBISA-N	0	1	449.536	2.188	20	30		IEEDMN
CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164736324	720589630	/nfs/dbraw/zinc/58/96/30/720589630.db2.gz	IKSOCOZLNPBROV-SFHVURJKSA-N	0	1	437.548	2.280	20	30		IEEDMN
Cn1cc(CN2CC[C@@H]3CN(c4nccnc4[C@@H](C#N)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1	ZINC001164772830	721224971	/nfs/dbraw/zinc/22/49/71/721224971.db2.gz	VEJAIVFQVJKHKI-CEXWTWQISA-N	0	1	437.548	2.117	20	30		IEEDMN
Cn1cc(CN2CC[C@@H]3CN(c4nccnc4[C@H](C#N)C(=O)OC(C)(C)C)C[C@H]3C2)cn1	ZINC001164772832	721225417	/nfs/dbraw/zinc/22/54/17/721225417.db2.gz	VEJAIVFQVJKHKI-QRVBRYPASA-N	0	1	437.548	2.117	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC2)C1	ZINC001164869404	721274532	/nfs/dbraw/zinc/27/45/32/721274532.db2.gz	NNPBOQVCFRPPQJ-UHFFFAOYSA-N	0	1	441.910	2.159	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3nc(Cl)ccc3C#N)CC2)C1	ZINC001164872778	721276018	/nfs/dbraw/zinc/27/60/18/721276018.db2.gz	FVQXZGFIYIPVAB-UHFFFAOYSA-N	0	1	441.910	2.159	20	30		IEEDMN
Cc1ccc([C@H](C#N)c2ccc(N3CCn4cc(CN5CCN(C)CC5)nc4C3)nn2)cc1	ZINC001164796621	721509694	/nfs/dbraw/zinc/50/96/94/721509694.db2.gz	UPCYZRKLLIOYQN-QFIPXVFZSA-N	0	1	442.571	2.405	20	30		IEEDMN
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164736335	720583793	/nfs/dbraw/zinc/58/37/93/720583793.db2.gz	JBCZAELPGDZXSZ-SFHVURJKSA-N	0	1	445.527	2.265	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3cc(C#C[Si](C)(C)C)ccn3)CC2)C1	ZINC001164879030	721291926	/nfs/dbraw/zinc/29/19/26/721291926.db2.gz	UJBMEUFSCBWZTO-UHFFFAOYSA-N	0	1	428.653	2.318	20	30		IEEDMN
CSc1nc(Cl)c(C#N)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1	ZINC001164890505	721379972	/nfs/dbraw/zinc/37/99/72/721379972.db2.gz	NRAUGYRBXHGQCR-MGPUTAFESA-N	0	1	437.013	2.489	20	30		IEEDMN
CN1CCO[C@@H]2CN(c3nc4ccccc4nc3C(C#N)S(=O)(=O)c3ccccc3)C[C@@H]21	ZINC001164666920	719441010	/nfs/dbraw/zinc/44/10/10/719441010.db2.gz	DUEWODGQECWLGP-PWRODBHTSA-N	0	1	449.536	2.188	20	30		IEEDMN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164764451	721103135	/nfs/dbraw/zinc/10/31/35/721103135.db2.gz	HTKJWDRSQBIZRE-DOTOQJQBSA-N	0	1	428.924	2.475	20	30		IEEDMN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164770764	721201623	/nfs/dbraw/zinc/20/16/23/721201623.db2.gz	OIFRAOCKDRHALH-GUDVDZBRSA-N	0	1	445.527	2.102	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3ccc(Cl)nc3C#N)CC2)C1	ZINC001164870300	721269643	/nfs/dbraw/zinc/26/96/43/721269643.db2.gz	VMHODICGVHBYPG-UHFFFAOYSA-N	0	1	441.910	2.159	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3cc(Cl)ncc3C#N)CC2)C1	ZINC001164872924	721275230	/nfs/dbraw/zinc/27/52/30/721275230.db2.gz	IKPTZVKZWNTMDE-UHFFFAOYSA-N	0	1	441.910	2.159	20	30		IEEDMN
CN1CCO[C@@H]2CN(c3nc4ccccc4nc3C(C#N)S(=O)(=O)c3ccccc3)C[C@H]21	ZINC001164666913	719442179	/nfs/dbraw/zinc/44/21/79/719442179.db2.gz	DUEWODGQECWLGP-NJDAHSKKSA-N	0	1	449.536	2.188	20	30		IEEDMN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164764456	721103000	/nfs/dbraw/zinc/10/30/00/721103000.db2.gz	HTKJWDRSQBIZRE-NVXWUHKLSA-N	0	1	428.924	2.475	20	30		IEEDMN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1	ZINC001164770722	721201062	/nfs/dbraw/zinc/20/10/62/721201062.db2.gz	OIFRAOCKDRHALH-CEXWTWQISA-N	0	1	445.527	2.102	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3nc(-c4ccncc4)ccc3C#N)CC2)C1	ZINC001164872461	721284411	/nfs/dbraw/zinc/28/44/11/721284411.db2.gz	DNEAFSVEUMPRPY-UHFFFAOYSA-N	0	1	434.544	2.022	20	30		IEEDMN
CN(C)C(=O)CN1CCC2(CCCN2c2nc(C#N)ccc2NC(=O)C(C)(C)C)CC1	ZINC001165010945	721742393	/nfs/dbraw/zinc/74/23/93/721742393.db2.gz	QZKDYNMNXZZYNK-UHFFFAOYSA-N	0	1	426.565	2.461	20	30		IEEDMN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1	ZINC001164764460	721103905	/nfs/dbraw/zinc/10/39/05/721103905.db2.gz	HTKJWDRSQBIZRE-WBVHZDCISA-N	0	1	428.924	2.475	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3nc(Cl)cc(Cl)c3C#N)CC2)C1	ZINC001164879192	721291465	/nfs/dbraw/zinc/29/14/65/721291465.db2.gz	WOYYZUHRRRHCAE-UHFFFAOYSA-N	0	1	426.348	2.267	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3ccnc(Cl)c3C#N)CC2)C1	ZINC001164868932	721263349	/nfs/dbraw/zinc/26/33/49/721263349.db2.gz	GJHRITVFVGOZKN-UHFFFAOYSA-N	0	1	441.910	2.159	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC2)C1	ZINC001164872474	721275085	/nfs/dbraw/zinc/27/50/85/721275085.db2.gz	DZEGRVLCGYAJDR-UHFFFAOYSA-N	0	1	441.910	2.159	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3ncccc3C#C[Si](C)(C)C)CC2)C1	ZINC001164872954	721279283	/nfs/dbraw/zinc/27/92/83/721279283.db2.gz	JJBDPWVNIGJQLS-UHFFFAOYSA-N	0	1	428.653	2.318	20	30		IEEDMN
CN1CCN(c2cccc(N3CCC[C@@]4(C3)COCCN(c3cccc(C#N)n3)C4)n2)CC1	ZINC001164665931	719358847	/nfs/dbraw/zinc/35/88/47/719358847.db2.gz	ZKQGBHOOGSTGFU-VWLOTQADSA-N	0	1	447.587	2.223	20	30		IEEDMN
CN1CCO[C@@H]2CN(c3nc4ccccc4nc3C(C#N)S(=O)(=O)c3ccccc3)C[C@@H]21	ZINC001164666909	719441747	/nfs/dbraw/zinc/44/17/47/719441747.db2.gz	DUEWODGQECWLGP-HBMCJLEFSA-N	0	1	449.536	2.188	20	30		IEEDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC2)C1	ZINC001164870336	721272608	/nfs/dbraw/zinc/27/26/08/721272608.db2.gz	WCKZXTGISRRPHR-UHFFFAOYSA-N	0	1	441.910	2.159	20	30		IEEDMN
CSc1nc(Cl)c(C#N)c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1	ZINC001164890507	721380157	/nfs/dbraw/zinc/38/01/57/721380157.db2.gz	NRAUGYRBXHGQCR-QRWLVFNGSA-N	0	1	437.013	2.489	20	30		IEEDMN
CN1CCN(Cc2cn3c(n2)CN(c2ccc([C@H](C#N)c4ccccc4F)nn2)CC3)CC1	ZINC001164799200	721515579	/nfs/dbraw/zinc/51/55/79/721515579.db2.gz	YEMRBRORPPWPJG-HXUWFJFHSA-N	0	1	446.534	2.235	20	30		IEEDMN