smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C#N)C(=O)Nc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1Cl	ZINC000079015566	569423945	/nfs/dbraw/zinc/42/39/45/569423945.db2.gz	VHVCBCOOASDGHO-UHFFFAOYSA-N	0	0	417.694	5.134	20	30		HKEDRN
COc1cc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC	ZINC000095930987	521984607	/nfs/dbraw/zinc/98/46/07/521984607.db2.gz	NOLULOSBETUJKL-YPKPFQOOSA-N	0	0	404.462	5.188	20	30		HKEDRN
CC[C@H](NC(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C)c1nc(C(F)(F)F)cs1	ZINC000328602123	569416310	/nfs/dbraw/zinc/41/63/10/569416310.db2.gz	AGZFXHGRVPIKKB-HUBLWGQQSA-N	0	0	416.469	5.125	20	30		HKEDRN
CC[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C)c1nc(C(F)(F)F)cs1	ZINC000328602124	569416397	/nfs/dbraw/zinc/41/63/97/569416397.db2.gz	AGZFXHGRVPIKKB-ZOWXZIJZSA-N	0	0	416.469	5.125	20	30		HKEDRN
CC[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C)c1nc(C)cs1	ZINC000328602337	569416454	/nfs/dbraw/zinc/41/64/54/569416454.db2.gz	BEBCZRUETYFFRJ-QKLQHJQFSA-N	0	0	410.543	5.131	20	30		HKEDRN
CC[C@H](NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C)c1nc(C)cs1	ZINC000328602338	569416464	/nfs/dbraw/zinc/41/64/64/569416464.db2.gz	BEBCZRUETYFFRJ-ZWOKBUDYSA-N	0	0	410.543	5.131	20	30		HKEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC(F)C4)CC3)cnc2Cl)c1	ZINC001164414967	718884429	/nfs/dbraw/zinc/88/44/29/718884429.db2.gz	BQBXLZKXGIUWRX-UHFFFAOYSA-N	0	0	405.851	5.537	20	30		HKEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC(F)C4)CC3)cnc2Cl)cc1	ZINC001164414990	718884451	/nfs/dbraw/zinc/88/44/51/718884451.db2.gz	CVIGRXUYWPQTOA-UHFFFAOYSA-N	0	0	405.851	5.537	20	30		HKEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)[C@H]2CC	ZINC001164701346	719824675	/nfs/dbraw/zinc/82/46/75/719824675.db2.gz	ORZBXLRPMYFPFM-GHTZIAJQSA-N	0	0	423.935	5.083	20	30		HKEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)[C@@H]2CC	ZINC001164701350	719824590	/nfs/dbraw/zinc/82/45/90/719824590.db2.gz	ORZBXLRPMYFPFM-NQIIRXRSSA-N	0	0	423.935	5.083	20	30		HKEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)[C@H]2CC	ZINC001164701356	719824762	/nfs/dbraw/zinc/82/47/62/719824762.db2.gz	ORZBXLRPMYFPFM-RXVVDRJESA-N	0	0	423.935	5.083	20	30		HKEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)[C@@H]2CC	ZINC001164701360	719824716	/nfs/dbraw/zinc/82/47/16/719824716.db2.gz	ORZBXLRPMYFPFM-WIYYLYMNSA-N	0	0	423.935	5.083	20	30		HKEDRN
COC[C@]12CCC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2	ZINC001164849697	720796856	/nfs/dbraw/zinc/79/68/56/720796856.db2.gz	SNSQPPZFUNDDAG-DYESRHJHSA-N	0	0	417.887	5.071	20	30		HKEDRN
COC[C@]12CCC[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2	ZINC001164849701	720797286	/nfs/dbraw/zinc/79/72/86/720797286.db2.gz	SNSQPPZFUNDDAG-LAUBAEHRSA-N	0	0	417.887	5.071	20	30		HKEDRN
COC[C@@]12CCC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2	ZINC001164849703	720796869	/nfs/dbraw/zinc/79/68/69/720796869.db2.gz	SNSQPPZFUNDDAG-UTKZUKDTSA-N	0	0	417.887	5.071	20	30		HKEDRN
COC[C@@]12CCC[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2	ZINC001164849706	720797251	/nfs/dbraw/zinc/79/72/51/720797251.db2.gz	SNSQPPZFUNDDAG-UWJYYQICSA-N	0	0	417.887	5.071	20	30		HKEDRN
COC[C@]12CCC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2	ZINC001164850135	720796774	/nfs/dbraw/zinc/79/67/74/720796774.db2.gz	TYAIYJVFJUMDNX-DYESRHJHSA-N	0	0	417.887	5.071	20	30		HKEDRN
COC[C@]12CCC[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2	ZINC001164850136	720796834	/nfs/dbraw/zinc/79/68/34/720796834.db2.gz	TYAIYJVFJUMDNX-LAUBAEHRSA-N	0	0	417.887	5.071	20	30		HKEDRN
COC[C@@]12CCC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2	ZINC001164850137	720797577	/nfs/dbraw/zinc/79/75/77/720797577.db2.gz	TYAIYJVFJUMDNX-UTKZUKDTSA-N	0	0	417.887	5.071	20	30		HKEDRN
COC[C@@]12CCC[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2	ZINC001164850139	720797179	/nfs/dbraw/zinc/79/71/79/720797179.db2.gz	TYAIYJVFJUMDNX-UWJYYQICSA-N	0	0	417.887	5.071	20	30		HKEDRN
COc1cccc(-c2cc(C(F)(F)N(CCC#N)C3CCCC3)c(Cl)nn2)c1	ZINC001165016354	721835939	/nfs/dbraw/zinc/83/59/39/721835939.db2.gz	ATDMKAUPCHQBIF-UHFFFAOYSA-N	0	0	406.864	5.013	20	30		HKEDRN
N#CCCN(C1CCCC1)C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1	ZINC001165016431	721835942	/nfs/dbraw/zinc/83/59/42/721835942.db2.gz	BFQAQLPWAYEOPG-UHFFFAOYSA-N	0	0	420.847	5.518	20	30		HKEDRN
N#CCCN(C1CCCC1)C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1	ZINC001165016628	721835953	/nfs/dbraw/zinc/83/59/53/721835953.db2.gz	FKJOEGMRNUPARR-UHFFFAOYSA-N	0	0	400.860	5.481	20	30		HKEDRN
CN(Cc1ccc(C#N)cc1)C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1	ZINC001165016810	721837343	/nfs/dbraw/zinc/83/73/43/721837343.db2.gz	GBVNXUOCLKKMCJ-UHFFFAOYSA-N	0	0	408.839	5.327	20	30		HKEDRN
CN(C)Cc1nc2scc(-c3ccccc3)c2c(N(CCC#N)C2CCCC2)n1	ZINC001165016924	721835923	/nfs/dbraw/zinc/83/59/23/721835923.db2.gz	GOQYSXFKPBHQJX-UHFFFAOYSA-N	0	0	405.571	5.083	20	30		HKEDRN
N#CCCN(C1CCCC1)C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1	ZINC001165017091	721835964	/nfs/dbraw/zinc/83/59/64/721835964.db2.gz	HRQKVNWWXLUILG-UHFFFAOYSA-N	0	0	400.860	5.481	20	30		HKEDRN
CN(Cc1ccc(C#N)cc1)C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1	ZINC001165017303	721837315	/nfs/dbraw/zinc/83/73/15/721837315.db2.gz	KASCWFFCYFZQJI-UHFFFAOYSA-N	0	0	408.839	5.327	20	30		HKEDRN
COc1cccc(-c2cc(C(F)(F)N(C)Cc3ccc(C#N)cc3)cnc2Cl)c1	ZINC001165017887	721837369	/nfs/dbraw/zinc/83/73/69/721837369.db2.gz	RDKWKDFQWRNYHG-UHFFFAOYSA-N	0	0	413.855	5.464	20	30		HKEDRN
COc1ccccc1-c1cc(C(F)(F)N(CCC#N)C2CCCC2)c(Cl)nn1	ZINC001165018221	721835948	/nfs/dbraw/zinc/83/59/48/721835948.db2.gz	UHZAIPKWYSAJPE-UHFFFAOYSA-N	0	0	406.864	5.013	20	30		HKEDRN
CN(Cc1ccc(C#N)cc1)C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001165018381	721837359	/nfs/dbraw/zinc/83/73/59/721837359.db2.gz	YLMWBASVYPBPKJ-UHFFFAOYSA-N	0	0	417.246	5.466	20	30		HKEDRN
N#CCCN(C1CCCC1)C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001165018472	721835930	/nfs/dbraw/zinc/83/59/30/721835930.db2.gz	ZLSCVJUYWFJKBD-UHFFFAOYSA-N	0	0	409.267	5.621	20	30		HKEDRN
COc1ccc(-c2cc(C(F)(F)N(CCC#N)C3CCCC3)c(Cl)nn2)cc1	ZINC001165018485	721835922	/nfs/dbraw/zinc/83/59/22/721835922.db2.gz	ZOZKJTWPBBILLQ-UHFFFAOYSA-N	0	0	406.864	5.013	20	30		HKEDRN
CN(CCCc1ccccc1)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl	ZINC001165036059	721881021	/nfs/dbraw/zinc/88/10/21/721881021.db2.gz	IELCJGIUDDAKJA-UHFFFAOYSA-N	0	0	412.871	5.283	20	30		HKEDRN
CN(CCCc1ccccc1)C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl	ZINC001165038279	721881039	/nfs/dbraw/zinc/88/10/39/721881039.db2.gz	RNVDGPIKFPVXSO-UHFFFAOYSA-N	0	0	412.871	5.283	20	30		HKEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H](c4ccncc4)C3)cnc2Cl)c1	ZINC001165040398	721929815	/nfs/dbraw/zinc/92/98/15/721929815.db2.gz	CLVSQXPHHZHGNO-GOSISDBHSA-N	0	0	410.855	5.207	20	30		HKEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H](c4ccncc4)C3)cnc2Cl)c1	ZINC001165040399	721929962	/nfs/dbraw/zinc/92/99/62/721929962.db2.gz	CLVSQXPHHZHGNO-SFHVURJKSA-N	0	0	410.855	5.207	20	30		HKEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H](c4ccncc4)C3)cnc2Cl)cc1	ZINC001165040866	721929744	/nfs/dbraw/zinc/92/97/44/721929744.db2.gz	REOXZTVINGKKIZ-GOSISDBHSA-N	0	0	410.855	5.207	20	30		HKEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H](c4ccncc4)C3)cnc2Cl)cc1	ZINC001165040867	721929889	/nfs/dbraw/zinc/92/98/89/721929889.db2.gz	REOXZTVINGKKIZ-SFHVURJKSA-N	0	0	410.855	5.207	20	30		HKEDRN
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H](c4ccncc4)C3)cc2c1Cl	ZINC001165040964	721929969	/nfs/dbraw/zinc/92/99/69/721929969.db2.gz	WPVJUEGDYPOLIC-CYBMUJFWSA-N	0	0	419.262	5.347	20	30		HKEDRN
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H](c4ccncc4)C3)cc2c1Cl	ZINC001165040965	721929818	/nfs/dbraw/zinc/92/98/18/721929818.db2.gz	WPVJUEGDYPOLIC-ZDUSSCGKSA-N	0	0	419.262	5.347	20	30		HKEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CCCC[C@H]3c3cccnc3)cnc2Cl)c1	ZINC001165046231	721964360	/nfs/dbraw/zinc/96/43/60/721964360.db2.gz	JEEYQMBBVFCNPZ-NRFANRHFSA-N	0	0	424.882	5.945	20	30		HKEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CCCC[C@@H]3c3cccnc3)cnc2Cl)c1	ZINC001165046232	721964397	/nfs/dbraw/zinc/96/43/97/721964397.db2.gz	JEEYQMBBVFCNPZ-OAQYLSRUSA-N	0	0	424.882	5.945	20	30		HKEDRN
CCN(CCC#N)c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21	ZINC001165047436	721987535	/nfs/dbraw/zinc/98/75/35/721987535.db2.gz	ADWSRCRLJIMMPY-UHFFFAOYSA-N	0	0	405.571	5.084	20	30		HKEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3CCCC[C@H]3c3cccnc3)cnc2Cl)cc1	ZINC001165047551	721964303	/nfs/dbraw/zinc/96/43/03/721964303.db2.gz	UYVHLACEHBGTAJ-NRFANRHFSA-N	0	0	424.882	5.945	20	30		HKEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3CCCC[C@@H]3c3cccnc3)cnc2Cl)cc1	ZINC001165047553	721964319	/nfs/dbraw/zinc/96/43/19/721964319.db2.gz	UYVHLACEHBGTAJ-OAQYLSRUSA-N	0	0	424.882	5.945	20	30		HKEDRN
CCN(CCC#N)C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl	ZINC001165048132	721988011	/nfs/dbraw/zinc/98/80/11/721988011.db2.gz	JOVBSZJMBQTOQZ-UHFFFAOYSA-N	0	0	404.770	5.101	20	30		HKEDRN
CCN(CCC#N)C(F)(F)c1cnc(Cl)c(-c2ccccc2C(F)(F)F)c1	ZINC001165048687	721987665	/nfs/dbraw/zinc/98/76/65/721987665.db2.gz	ORFPIYWBGGAARI-UHFFFAOYSA-N	0	0	403.782	5.706	20	30		HKEDRN
CCN(CCC#N)c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21	ZINC001165049021	721987600	/nfs/dbraw/zinc/98/76/00/721987600.db2.gz	STFCDUQFSXOFAL-UHFFFAOYSA-N	0	0	411.600	5.146	20	30		HKEDRN
CCN(CCC#N)C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl	ZINC001165049317	721988005	/nfs/dbraw/zinc/98/80/05/721988005.db2.gz	WSWUJQLDOGNUEI-UHFFFAOYSA-N	0	0	404.770	5.101	20	30		HKEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCC(c3nc4ccccc4s3)CC2)c1	ZINC001165050288	721988814	/nfs/dbraw/zinc/98/88/14/721988814.db2.gz	AIUHTYWYLSPVQC-UHFFFAOYSA-N	0	0	404.873	5.145	20	30		HKEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCC(c2nc3ccccc3s2)CC1	ZINC001165050655	721988939	/nfs/dbraw/zinc/98/89/39/721988939.db2.gz	HULMRBTYSLISOT-UHFFFAOYSA-N	0	0	404.873	5.145	20	30		HKEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCC(c2nc3ccccc3s2)CC1	ZINC001165051070	721989074	/nfs/dbraw/zinc/98/90/74/721989074.db2.gz	MPFFFRWAMHTNRJ-UHFFFAOYSA-N	0	0	404.873	5.145	20	30		HKEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCC(c2nc3ccccc3s2)CC1	ZINC001165051079	721989098	/nfs/dbraw/zinc/98/90/98/721989098.db2.gz	MYLYUTQENTUWMS-UHFFFAOYSA-N	0	0	404.873	5.145	20	30		HKEDRN
N#Cc1cc(C(F)(F)N2CCC(c3nc4ccccc4s3)CC2)cnc1Cl	ZINC001165051114	721989042	/nfs/dbraw/zinc/98/90/42/721989042.db2.gz	OMPIEYPAYXACSS-UHFFFAOYSA-N	0	0	404.873	5.145	20	30		HKEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCC(c2nc3ccccc3s2)CC1	ZINC001165051777	721988918	/nfs/dbraw/zinc/98/89/18/721988918.db2.gz	ZEDIAHYPSBKWDU-UHFFFAOYSA-N	0	0	404.873	5.145	20	30		HKEDRN
N#Cc1cc(C(F)(F)N2CCC(c3nc4ccccc4s3)CC2)cc(Cl)n1	ZINC001165051795	721989060	/nfs/dbraw/zinc/98/90/60/721989060.db2.gz	ZVYILGRBHYYKPG-UHFFFAOYSA-N	0	0	404.873	5.145	20	30		HKEDRN