smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](C(=O)Nc1cccc(COC)c1)N(C)C	ZINC000161487194	378851519	/nfs/dbraw/zinc/85/15/19/378851519.db2.gz	DZYHUWIATHWDCM-CQSZACIVSA-N	0	1	264.369	2.502	10	70		CFIEMN
CC(C)CN1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000160609875	394366783	/nfs/dbraw/zinc/36/67/83/394366783.db2.gz	KRMWOINXIKMVDP-ZDUSSCGKSA-N	0	1	262.401	2.797	10	70		CFIEMN
CCN(Cc1c(F)cccc1F)C[C@@](C)(O)CC	ZINC000160814937	528761121	/nfs/dbraw/zinc/76/11/21/528761121.db2.gz	YULYVHXGGBNIOK-AWEZNQCLSA-N	0	1	257.324	2.948	10	70		CFIEMN
CC[C@@](C)(O)CN1CCO[C@H](c2ccc(Cl)cc2)C1	ZINC000160637829	378788243	/nfs/dbraw/zinc/78/82/43/378788243.db2.gz	RIIKLSISVYVXRV-LSDHHAIUSA-N	0	1	283.799	2.874	10	70		CFIEMN
CCC[C@@H](C(=O)Nc1cnc2ccccc2c1)N(C)C	ZINC000161383226	378843247	/nfs/dbraw/zinc/84/32/47/378843247.db2.gz	CEISJADMLLIERD-HNNXBMFYSA-N	0	1	271.364	2.904	10	70		CFIEMN
O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCN(CC2CC2)CC1	ZINC000161133536	322347529	/nfs/dbraw/zinc/34/75/29/322347529.db2.gz	QQWYOVVMNDBBHI-SJORKVTESA-N	0	1	290.451	2.757	10	70		CFIEMN
CC(C)[N@@H+](C)CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000159999757	378741578	/nfs/dbraw/zinc/74/15/78/378741578.db2.gz	SYWLWKIIQJYHAF-AWEZNQCLSA-N	0	1	290.407	2.745	10	70		CFIEMN
CC1(C)CO[C@@H](c2ccccc2)CN1CCn1ccnc1	ZINC000159800099	378730604	/nfs/dbraw/zinc/73/06/04/378730604.db2.gz	QULKECMLJAFZOR-MRXNPFEDSA-N	0	1	285.391	2.735	10	70		CFIEMN
CCc1nc(CN[C@@H](C)c2cccc(Cl)c2)n[nH]1	ZINC000160265156	378760474	/nfs/dbraw/zinc/76/04/74/378760474.db2.gz	XSTOLCMXQBPXLB-VIFPVBQESA-N	0	1	264.760	2.871	10	70		CFIEMN
Cc1cnn([C@@H]2CCCN(Cc3cnc4ccccn34)C2)c1	ZINC000160115609	526266094	/nfs/dbraw/zinc/26/60/94/526266094.db2.gz	WVPWVKHLAOUNLV-OAHLLOKOSA-N	0	1	295.390	2.676	10	70		CFIEMN
COc1c(CNCc2cc(C)cc(C)c2)c(C)nn1C	ZINC000160187493	541408199	/nfs/dbraw/zinc/40/81/99/541408199.db2.gz	XOWCHZADHIHPHD-UHFFFAOYSA-N	0	1	273.380	2.644	10	70		CFIEMN
CC(C)CN1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000160609738	378786343	/nfs/dbraw/zinc/78/63/43/378786343.db2.gz	KRMWOINXIKMVDP-CYBMUJFWSA-N	0	1	262.401	2.797	10	70		CFIEMN
CCc1ccc([C@H]2CCCCN2CC(OC)OC)o1	ZINC000161236239	378832852	/nfs/dbraw/zinc/83/28/52/378832852.db2.gz	PDWKTTRUXKJJNX-CYBMUJFWSA-N	0	1	267.369	2.988	10	70		CFIEMN
Cc1ccc([C@H](C)NC(=O)c2cccc(-c3nnc[nH]3)c2)o1	ZINC000160393122	525911682	/nfs/dbraw/zinc/91/16/82/525911682.db2.gz	FUZQYCVZURFXHI-NSHDSACASA-N	0	1	296.330	2.864	10	70		CFIEMN
CCCC1(CNC(=O)[C@H](Cc2ccccc2)N(C)C)CC1	ZINC000160720120	322341653	/nfs/dbraw/zinc/34/16/53/322341653.db2.gz	NAJZFSVWAFASES-INIZCTEOSA-N	0	1	288.435	2.856	10	70		CFIEMN
CC(C)N1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1	ZINC000160054946	348016204	/nfs/dbraw/zinc/01/62/04/348016204.db2.gz	COLVPYLDJXKALS-HZPDHXFCSA-N	0	1	278.440	2.755	10	70		CFIEMN
CCC[C@H](C(=O)Nc1nc2c(s1)CCCC2)N(C)C	ZINC000159690204	276039364	/nfs/dbraw/zinc/03/93/64/276039364.db2.gz	VHGSGGARTPPPIR-LLVKDONJSA-N	0	1	281.425	2.691	10	70		CFIEMN
CC1(C)C[C@H](NC(=O)C(F)(F)F)c2ccccc2O1	ZINC000159830003	278378676	/nfs/dbraw/zinc/37/86/76/278378676.db2.gz	QRTLRUUNJOGVAT-VIFPVBQESA-N	0	1	273.254	2.967	10	70		CFIEMN
CCc1nc(CN[C@@H](C)c2ccc(C)c(F)c2)n[nH]1	ZINC000160492538	522342570	/nfs/dbraw/zinc/34/25/70/522342570.db2.gz	CPFZIUHQUIYKKU-JTQLQIEISA-N	0	1	262.332	2.665	10	70		CFIEMN
CCN(Cc1c(F)cccc1F)C[C@](C)(O)CC	ZINC000160815046	528760341	/nfs/dbraw/zinc/76/03/41/528760341.db2.gz	YULYVHXGGBNIOK-CQSZACIVSA-N	0	1	257.324	2.948	10	70		CFIEMN
CCC[C@@H](C(=O)Nc1cc(C)cc(F)c1)N(C)C	ZINC000160659640	188485403	/nfs/dbraw/zinc/48/54/03/188485403.db2.gz	VXSPJDYAHSMNHV-ZDUSSCGKSA-N	0	1	252.333	2.803	10	70		CFIEMN
CC[C@](C)(O)CN1CCO[C@H](c2ccc(Cl)cc2)C1	ZINC000160637701	378787958	/nfs/dbraw/zinc/78/79/58/378787958.db2.gz	RIIKLSISVYVXRV-GJZGRUSLSA-N	0	1	283.799	2.874	10	70		CFIEMN
CCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161195797	378828923	/nfs/dbraw/zinc/82/89/23/378828923.db2.gz	GYEQPUYMNRHACD-NWDGAFQWSA-N	0	1	259.271	2.833	10	70		CFIEMN
CCCn1nccc1CN[C@H]1CCOc2ccccc21	ZINC000160053266	540667891	/nfs/dbraw/zinc/66/78/91/540667891.db2.gz	LPBAYPLWUKUTPB-HNNXBMFYSA-N	0	1	271.364	2.907	10	70		CFIEMN
COC(CN1CCCC[C@@H]1c1ccc(C)o1)OC	ZINC000161235389	378832105	/nfs/dbraw/zinc/83/21/05/378832105.db2.gz	JYFROGGLBDTDAD-GFCCVEGCSA-N	0	1	253.342	2.734	10	70		CFIEMN
CCC[C@@H](C(=O)Nc1ccc(C)c(F)c1)N(C)C	ZINC000161181151	322348713	/nfs/dbraw/zinc/34/87/13/322348713.db2.gz	AXRGRWFMYNZSTQ-ZDUSSCGKSA-N	0	1	252.333	2.803	10	70		CFIEMN
CC(C)N1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1	ZINC000160055199	348016120	/nfs/dbraw/zinc/01/61/20/348016120.db2.gz	COLVPYLDJXKALS-JKSUJKDBSA-N	0	1	278.440	2.755	10	70		CFIEMN
CC[C@@](C)(O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C	ZINC000160696236	378790963	/nfs/dbraw/zinc/79/09/63/378790963.db2.gz	CQGXJVTUFLCOMR-QGZVFWFLSA-N	0	1	292.423	2.643	10	70		CFIEMN
CC(C)N1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1	ZINC000160055066	348016041	/nfs/dbraw/zinc/01/60/41/348016041.db2.gz	COLVPYLDJXKALS-CVEARBPZSA-N	0	1	278.440	2.755	10	70		CFIEMN
O[C@]12CCCC[C@@H]1CN(Cc1noc3c1CCCC3)CC2	ZINC000161026737	541517270	/nfs/dbraw/zinc/51/72/70/541517270.db2.gz	FLLTYMOGYYPKQK-DYVFJYSZSA-N	0	1	290.407	2.680	10	70		CFIEMN
CCc1nc(CN[C@H](C)c2ccc(CC)cc2)n[nH]1	ZINC000160267190	378760965	/nfs/dbraw/zinc/76/09/65/378760965.db2.gz	SWEAHPQXLJTKJG-LLVKDONJSA-N	0	1	258.369	2.780	10	70		CFIEMN
CCC[C@@H](C(=O)Nc1ccc(OCC)cc1)N(C)C	ZINC000161146930	378825984	/nfs/dbraw/zinc/82/59/84/378825984.db2.gz	KAQPTFZJPCPTHM-AWEZNQCLSA-N	0	1	264.369	2.754	10	70		CFIEMN
O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCN(CC2CC2)CC1	ZINC000161133664	322347487	/nfs/dbraw/zinc/34/74/87/322347487.db2.gz	QQWYOVVMNDBBHI-DLBZAZTESA-N	0	1	290.451	2.757	10	70		CFIEMN
Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3nnc[nH]3)c2)o1	ZINC000160392985	525718278	/nfs/dbraw/zinc/71/82/78/525718278.db2.gz	FUZQYCVZURFXHI-LLVKDONJSA-N	0	1	296.330	2.864	10	70		CFIEMN
CC[C@](C)(O)CN1C[C@@H](c2ccccc2)O[C@@H](C)C1	ZINC000160693809	378791083	/nfs/dbraw/zinc/79/10/83/378791083.db2.gz	YQHLPBGXLCPWIE-BPUTZDHNSA-N	0	1	263.381	2.609	10	70		CFIEMN
CC[C@](C)(O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C	ZINC000160696101	378791124	/nfs/dbraw/zinc/79/11/24/378791124.db2.gz	CQGXJVTUFLCOMR-KRWDZBQOSA-N	0	1	292.423	2.643	10	70		CFIEMN
CCC[C@@H](C(=O)Nc1ccc2oc(C)nc2c1)N(C)C	ZINC000161323720	378839434	/nfs/dbraw/zinc/83/94/34/378839434.db2.gz	HUFQRWTZGVNZKG-ZDUSSCGKSA-N	0	1	275.352	2.805	10	70		CFIEMN
CC[C@@](C)(O)C[NH+]1CCN(C2CCC(C(C)C)CC2)CC1	ZINC000161497270	378850592	/nfs/dbraw/zinc/85/05/92/378850592.db2.gz	WILBAKTUXLRKDM-DAWZGUTISA-N	0	1	296.499	2.980	10	70		CFIEMN
Cc1cc(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)[nH]n1	ZINC000159931173	394366099	/nfs/dbraw/zinc/36/60/99/394366099.db2.gz	FXBPOCCNHPESIY-AWEZNQCLSA-N	0	1	299.374	2.679	10	70		CFIEMN
CC1(C)CCC(C(=O)N2CCN3CCCC[C@@H]3C2)CC1	ZINC000159688470	322326965	/nfs/dbraw/zinc/32/69/65/322326965.db2.gz	BUGGLZWGYUKFED-OAHLLOKOSA-N	0	1	278.440	2.900	10	70		CFIEMN
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)nc1C	ZINC000159999476	378742428	/nfs/dbraw/zinc/74/24/28/378742428.db2.gz	WEDCAYLYDRQNMR-GFCCVEGCSA-N	0	1	295.814	2.600	10	70		CFIEMN
CCC[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)N(C)C	ZINC000161422920	378846665	/nfs/dbraw/zinc/84/66/65/378846665.db2.gz	BPPJDJWRHPOBML-AWEZNQCLSA-N	0	1	259.353	2.837	10	70		CFIEMN
CC[C@](C)(O)CN1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1	ZINC000161247764	378833813	/nfs/dbraw/zinc/83/38/13/378833813.db2.gz	LMRQYMZJQHSVPR-RCBQFDQVSA-N	0	1	281.371	2.749	10	70		CFIEMN
O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCN(CC2CC2)CC1	ZINC000161133788	322347588	/nfs/dbraw/zinc/34/75/88/322347588.db2.gz	QQWYOVVMNDBBHI-IAGOWNOFSA-N	0	1	290.451	2.757	10	70		CFIEMN
Fc1ccccc1CN1CCC(c2cc[nH]n2)CC1	ZINC000160545061	526409859	/nfs/dbraw/zinc/40/98/59/526409859.db2.gz	WOUYIPZJOJEORB-UHFFFAOYSA-N	0	1	259.328	2.928	10	70		CFIEMN
CCC[C@H](C(=O)Nc1ccc(OCC)cc1)N(C)C	ZINC000161147015	378826056	/nfs/dbraw/zinc/82/60/56/378826056.db2.gz	KAQPTFZJPCPTHM-CQSZACIVSA-N	0	1	264.369	2.754	10	70		CFIEMN
CCc1nc(CN[C@@H](C)c2ccc(CC)cc2)n[nH]1	ZINC000160267310	188462692	/nfs/dbraw/zinc/46/26/92/188462692.db2.gz	SWEAHPQXLJTKJG-NSHDSACASA-N	0	1	258.369	2.780	10	70		CFIEMN
O[C@@]12CCCC[C@@H]1CN(Cc1noc3c1CCCC3)CC2	ZINC000161026596	541517091	/nfs/dbraw/zinc/51/70/91/541517091.db2.gz	FLLTYMOGYYPKQK-CXAGYDPISA-N	0	1	290.407	2.680	10	70		CFIEMN
COC(=O)c1ccc(CN2CCO[C@H]3CCCC[C@H]32)cc1	ZINC000217344968	382785746	/nfs/dbraw/zinc/78/57/46/382785746.db2.gz	ZRKSXXBWSFQXJY-CVEARBPZSA-N	0	1	289.375	2.617	10	70		CFIEMN
CC1(C)CCC(C(=O)N2CCN3CCCC[C@H]3C2)CC1	ZINC000159688596	322326802	/nfs/dbraw/zinc/32/68/02/322326802.db2.gz	BUGGLZWGYUKFED-HNNXBMFYSA-N	0	1	278.440	2.900	10	70		CFIEMN
O=C([C@H]1C[C@H]1C1CCCCC1)N1CCN(CC2CC2)CC1	ZINC000161133428	322347494	/nfs/dbraw/zinc/34/74/94/322347494.db2.gz	QQWYOVVMNDBBHI-IRXDYDNUSA-N	0	1	290.451	2.757	10	70		CFIEMN
COC(CN1CCCC[C@H]1c1ccc(C)o1)OC	ZINC000161235303	378832810	/nfs/dbraw/zinc/83/28/10/378832810.db2.gz	JYFROGGLBDTDAD-LBPRGKRZSA-N	0	1	253.342	2.734	10	70		CFIEMN
COC(=O)c1ccc(CN2CCO[C@@H]3CCCC[C@H]32)cc1	ZINC000217344884	382785940	/nfs/dbraw/zinc/78/59/40/382785940.db2.gz	ZRKSXXBWSFQXJY-HZPDHXFCSA-N	0	1	289.375	2.617	10	70		CFIEMN
Cc1nc(C[C@H]2CCCN(Cc3cnc(C)s3)C2)no1	ZINC000161050854	348023063	/nfs/dbraw/zinc/02/30/63/348023063.db2.gz	GQNZCLSYXFVRMV-GFCCVEGCSA-N	0	1	292.408	2.598	10	70		CFIEMN
CCCn1nccc1CN[C@@H]1CCOc2ccccc21	ZINC000160053130	540668112	/nfs/dbraw/zinc/66/81/12/540668112.db2.gz	LPBAYPLWUKUTPB-OAHLLOKOSA-N	0	1	271.364	2.907	10	70		CFIEMN
Cc1cc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)[nH]n1	ZINC000159931016	378738767	/nfs/dbraw/zinc/73/87/67/378738767.db2.gz	FXBPOCCNHPESIY-CQSZACIVSA-N	0	1	299.374	2.679	10	70		CFIEMN
CCC[C@H](C(=O)Nc1ccc2nc(C)oc2c1)N(C)C	ZINC000161448681	378847539	/nfs/dbraw/zinc/84/75/39/378847539.db2.gz	CZXXWFGHFUSBNI-CYBMUJFWSA-N	0	1	275.352	2.805	10	70		CFIEMN
CCCC1(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)CC1	ZINC000160719991	322341884	/nfs/dbraw/zinc/34/18/84/322341884.db2.gz	NAJZFSVWAFASES-MRXNPFEDSA-N	0	1	288.435	2.856	10	70		CFIEMN
CC1(C)CO[C@H](c2ccccc2)CN1CCn1ccnc1	ZINC000159799967	378730780	/nfs/dbraw/zinc/73/07/80/378730780.db2.gz	QULKECMLJAFZOR-INIZCTEOSA-N	0	1	285.391	2.735	10	70		CFIEMN
CCC[C@H](C(=O)Nc1cc(C)cc(F)c1)N(C)C	ZINC000160659786	378789968	/nfs/dbraw/zinc/78/99/68/378789968.db2.gz	VXSPJDYAHSMNHV-CYBMUJFWSA-N	0	1	252.333	2.803	10	70		CFIEMN
CCC[C@H](C(=O)Nc1ccc2[nH]ccc2c1)N(C)C	ZINC000161423018	378845743	/nfs/dbraw/zinc/84/57/43/378845743.db2.gz	BPPJDJWRHPOBML-CQSZACIVSA-N	0	1	259.353	2.837	10	70		CFIEMN
Cc1nc(C[C@@H]2CCCN(Cc3cnc(C)s3)C2)no1	ZINC000161050737	348023118	/nfs/dbraw/zinc/02/31/18/348023118.db2.gz	GQNZCLSYXFVRMV-LBPRGKRZSA-N	0	1	292.408	2.598	10	70		CFIEMN
CCC[C@H](C(=O)Nc1ccc2oc(C)nc2c1)N(C)C	ZINC000161323839	378839893	/nfs/dbraw/zinc/83/98/93/378839893.db2.gz	HUFQRWTZGVNZKG-CYBMUJFWSA-N	0	1	275.352	2.805	10	70		CFIEMN
CCC[C@@H](C(=O)Nc1ccc2nc(C)oc2c1)N(C)C	ZINC000161448550	378848370	/nfs/dbraw/zinc/84/83/70/378848370.db2.gz	CZXXWFGHFUSBNI-ZDUSSCGKSA-N	0	1	275.352	2.805	10	70		CFIEMN
CCC[C@H](C(=O)Nc1ccc(C)c(F)c1)N(C)C	ZINC000161181290	322348682	/nfs/dbraw/zinc/34/86/82/322348682.db2.gz	AXRGRWFMYNZSTQ-CYBMUJFWSA-N	0	1	252.333	2.803	10	70		CFIEMN
CCC[C@@H](C(=O)Nc1nc2c(s1)CCCC2)N(C)C	ZINC000159690062	378724228	/nfs/dbraw/zinc/72/42/28/378724228.db2.gz	VHGSGGARTPPPIR-NSHDSACASA-N	0	1	281.425	2.691	10	70		CFIEMN
CCC[C@H](C(=O)Nc1cnc2ccccc2c1)N(C)C	ZINC000161383326	378843165	/nfs/dbraw/zinc/84/31/65/378843165.db2.gz	CEISJADMLLIERD-OAHLLOKOSA-N	0	1	271.364	2.904	10	70		CFIEMN
CC1(C)C[C@@H](NC(=O)C(F)(F)F)c2ccccc2O1	ZINC000159830103	278361096	/nfs/dbraw/zinc/36/10/96/278361096.db2.gz	QRTLRUUNJOGVAT-SECBINFHSA-N	0	1	273.254	2.967	10	70		CFIEMN
CCC[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N(C)C	ZINC000161205075	322348587	/nfs/dbraw/zinc/34/85/87/322348587.db2.gz	NYAGTPGSSKRUNU-HNNXBMFYSA-N	0	1	260.381	2.844	10	70		CFIEMN
CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)nc1C	ZINC000159999598	378742551	/nfs/dbraw/zinc/74/25/51/378742551.db2.gz	WEDCAYLYDRQNMR-LBPRGKRZSA-N	0	1	295.814	2.600	10	70		CFIEMN
CCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161195672	378829661	/nfs/dbraw/zinc/82/96/61/378829661.db2.gz	GYEQPUYMNRHACD-VXGBXAGGSA-N	0	1	259.271	2.833	10	70		CFIEMN
CCc1ccc([C@@H]2CCCCN2CC(OC)OC)o1	ZINC000161236147	378832940	/nfs/dbraw/zinc/83/29/40/378832940.db2.gz	PDWKTTRUXKJJNX-ZDUSSCGKSA-N	0	1	267.369	2.988	10	70		CFIEMN
CCC[C@@H](C(=O)Nc1cccc(COC)c1)N(C)C	ZINC000161487087	378850675	/nfs/dbraw/zinc/85/06/75/378850675.db2.gz	DZYHUWIATHWDCM-AWEZNQCLSA-N	0	1	264.369	2.502	10	70		CFIEMN
Cc1cnn([C@H]2CCCN(Cc3cnc4ccccn34)C2)c1	ZINC000160115688	526268174	/nfs/dbraw/zinc/26/81/74/526268174.db2.gz	WVPWVKHLAOUNLV-HNNXBMFYSA-N	0	1	295.390	2.676	10	70		CFIEMN
CC(C)N1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1	ZINC000160055320	348016274	/nfs/dbraw/zinc/01/62/74/348016274.db2.gz	COLVPYLDJXKALS-HOTGVXAUSA-N	0	1	278.440	2.755	10	70		CFIEMN
CCC[C@H](C(=O)Nc1ccc2c(c1)CCC2)N(C)C	ZINC000161205159	322348562	/nfs/dbraw/zinc/34/85/62/322348562.db2.gz	NYAGTPGSSKRUNU-OAHLLOKOSA-N	0	1	260.381	2.844	10	70		CFIEMN