smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)o1	ZINC000159414681	372140783	/nfs/dbraw/zinc/14/07/83/372140783.db2.gz	DGUZOSJVUYZPNX-JTQLQIEISA-N	0	1	275.352	3.234	10	70		CGIEMN
CCC[C@H](C(=O)Nc1cccc(SC)c1)N(C)C	ZINC000161264251	372312652	/nfs/dbraw/zinc/31/26/52/372312652.db2.gz	WOQSTHCDSGYFIH-CYBMUJFWSA-N	0	1	266.410	3.077	10	70		CGIEMN
COc1cccc(CCC[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1	ZINC000160520298	372253621	/nfs/dbraw/zinc/25/36/21/372253621.db2.gz	XHESOWXQRCXZTI-GOSISDBHSA-N	0	1	299.418	3.198	10	70		CGIEMN
CCC[C@H](C(=O)Nc1cc(Cl)cc(C)c1O)N(C)C	ZINC000160492196	372251406	/nfs/dbraw/zinc/25/14/06/372251406.db2.gz	SSAINLCSSKHUII-GFCCVEGCSA-N	0	1	284.787	3.023	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1cccc(SC)c1)N(C)C	ZINC000161264166	372313120	/nfs/dbraw/zinc/31/31/20/372313120.db2.gz	WOQSTHCDSGYFIH-ZDUSSCGKSA-N	0	1	266.410	3.077	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1cccc(C(C)C)c1)N(C)C	ZINC000161250764	321865329	/nfs/dbraw/zinc/86/53/29/321865329.db2.gz	VOGAXRJVLJBXCT-HNNXBMFYSA-N	0	1	262.397	3.479	10	70		CGIEMN
CCc1nc(CN[C@@H](C)c2ccc3ccccc3c2)n[nH]1	ZINC000160267705	372231356	/nfs/dbraw/zinc/23/13/56/372231356.db2.gz	MARPXIMJKGPAGL-LBPRGKRZSA-N	0	1	280.375	3.371	10	70		CGIEMN
CCSCCN1CCCC[C@@H]1c1nccs1	ZINC000160007861	372203491	/nfs/dbraw/zinc/20/34/91/372203491.db2.gz	IAIWDJUGBXQNCD-LLVKDONJSA-N	0	1	256.440	3.423	10	70		CGIEMN
Cn1nccc1C1CCN(Cc2ccc(F)c(F)c2)CC1	ZINC000160521025	372253685	/nfs/dbraw/zinc/25/36/85/372253685.db2.gz	UEPJFOMCKFXPLB-UHFFFAOYSA-N	0	1	291.345	3.078	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(C)C	ZINC000161191163	372309219	/nfs/dbraw/zinc/30/92/19/372309219.db2.gz	GMYMQOOGBMBXAL-LBPRGKRZSA-N	0	1	284.787	3.017	10	70		CGIEMN
CC[C@@](C)(O)CN(C)Cc1ccc(F)cc1Cl	ZINC000161010634	529507847	/nfs/dbraw/zinc/50/78/47/529507847.db2.gz	ZVAGYCXBIMKTMI-CYBMUJFWSA-N	0	1	259.752	3.072	10	70		CGIEMN
O[C@]12CCCC[C@@H]1CN(Cc1ccc(F)cc1F)CC2	ZINC000160779502	372275435	/nfs/dbraw/zinc/27/54/35/372275435.db2.gz	GTQRIEFLQXYEOS-CJNGLKHVSA-N	0	1	281.346	3.092	10	70		CGIEMN
CCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161209028	372309152	/nfs/dbraw/zinc/30/91/52/372309152.db2.gz	ZOAXGWSKPCBSCS-CHWSQXEVSA-N	0	1	273.298	3.223	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1ccc(SC)cc1)N(C)C	ZINC000161312035	321865998	/nfs/dbraw/zinc/86/59/98/321865998.db2.gz	PUCIJIWITBAVNM-ZDUSSCGKSA-N	0	1	266.410	3.077	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)C	ZINC000161143013	372305843	/nfs/dbraw/zinc/30/58/43/372305843.db2.gz	KYJVCIQRGFMXNB-LBPRGKRZSA-N	0	1	299.212	3.118	10	70		CGIEMN
CCCn1nccc1CN[C@H](C)c1ccc(F)c(F)c1	ZINC000160015935	542152866	/nfs/dbraw/zinc/15/28/66/542152866.db2.gz	OBTZBODUCMAKHP-LLVKDONJSA-N	0	1	279.334	3.422	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)C	ZINC000161150391	372305641	/nfs/dbraw/zinc/30/56/41/372305641.db2.gz	WADGSGWXUMQJSC-LBPRGKRZSA-N	0	1	288.313	3.374	10	70		CGIEMN
CCN(CC(=O)N[C@H]1CC[C@H](C)c2ccccc21)C1CC1	ZINC000159618561	372161542	/nfs/dbraw/zinc/16/15/42/372161542.db2.gz	PSWSGDDOKPNREI-GUYCJALGSA-N	0	1	286.419	3.226	10	70		CGIEMN
CCC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(C)C	ZINC000161191278	188513601	/nfs/dbraw/zinc/51/36/01/188513601.db2.gz	GMYMQOOGBMBXAL-GFCCVEGCSA-N	0	1	284.787	3.017	10	70		CGIEMN
CCc1cc(C(=O)N2CC=C(c3ccccc3F)CC2)n[nH]1	ZINC000159563283	372155503	/nfs/dbraw/zinc/15/55/03/372155503.db2.gz	PYIWRQPPOOXQDH-UHFFFAOYSA-N	0	1	299.349	3.041	10	70		CGIEMN
CCN(CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21)C1CC1	ZINC000159618422	372160718	/nfs/dbraw/zinc/16/07/18/372160718.db2.gz	PSWSGDDOKPNREI-SUMWQHHRSA-N	0	1	286.419	3.226	10	70		CGIEMN
CCC[C@H](C(=O)Nc1cccc(Br)c1)N(C)C	ZINC000161143652	372305907	/nfs/dbraw/zinc/30/59/07/372305907.db2.gz	OLSWJIMFBGYVHR-GFCCVEGCSA-N	0	1	299.212	3.118	10	70		CGIEMN
CCc1nc(CN[C@H](C)c2ccc3ccccc3c2)n[nH]1	ZINC000160267827	372231833	/nfs/dbraw/zinc/23/18/33/372231833.db2.gz	MARPXIMJKGPAGL-GFCCVEGCSA-N	0	1	280.375	3.371	10	70		CGIEMN
CCc1nc(CN[C@@H](C)c2ccc(F)c(Cl)c2)n[nH]1	ZINC000160380152	372242914	/nfs/dbraw/zinc/24/29/14/372242914.db2.gz	LITYCHHCJUIZGO-QMMMGPOBSA-N	0	1	282.750	3.010	10	70		CGIEMN
CCOc1ccccc1[C@@H](C)N[C@@H]1CCC[N@H+](CC)C1	ZINC000217913497	376181429	/nfs/dbraw/zinc/18/14/29/376181429.db2.gz	DMJQVCODNSLICY-HUUCEWRRSA-N	0	1	276.424	3.220	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(C)C	ZINC000161175901	321863951	/nfs/dbraw/zinc/86/39/51/321863951.db2.gz	BONFLANHIZZXHI-LBPRGKRZSA-N	0	1	272.751	3.148	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(C)C	ZINC000161153729	372306301	/nfs/dbraw/zinc/30/63/01/372306301.db2.gz	ROJDWMWWERYPNM-ZDUSSCGKSA-N	0	1	268.788	3.317	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1cccc(Br)c1)N(C)C	ZINC000161143521	321863177	/nfs/dbraw/zinc/86/31/77/321863177.db2.gz	OLSWJIMFBGYVHR-LBPRGKRZSA-N	0	1	299.212	3.118	10	70		CGIEMN
CCSCCN1CCCC[C@H]1c1nccs1	ZINC000160007991	372203837	/nfs/dbraw/zinc/20/38/37/372203837.db2.gz	IAIWDJUGBXQNCD-NSHDSACASA-N	0	1	256.440	3.423	10	70		CGIEMN
C[C@H](NCc1noc(-c2ccsc2)n1)C(C)(C)C	ZINC000160881879	525496916	/nfs/dbraw/zinc/49/69/16/525496916.db2.gz	ODOPFFZDLZMQAJ-VIFPVBQESA-N	0	1	265.382	3.322	10	70		CGIEMN
Cn1nccc1C1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000160524369	527599229	/nfs/dbraw/zinc/59/92/29/527599229.db2.gz	KEFXPAXTBBXPOF-UHFFFAOYSA-N	0	1	289.810	3.453	10	70		CGIEMN
CCc1nc(CN[C@H](C)c2ccc(F)c(Cl)c2)n[nH]1	ZINC000160380263	372242672	/nfs/dbraw/zinc/24/26/72/372242672.db2.gz	LITYCHHCJUIZGO-MRVPVSSYSA-N	0	1	282.750	3.010	10	70		CGIEMN
O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(CCCF)C1	ZINC000161058293	372298504	/nfs/dbraw/zinc/29/85/04/372298504.db2.gz	FHHFAXHJNJVWBX-CHWSQXEVSA-N	0	1	291.288	3.173	10	70		CGIEMN
CCC[C@H](C(=O)Nc1ccc2[nH]c(C)cc2c1)N(C)C	ZINC000161508440	321868478	/nfs/dbraw/zinc/86/84/78/321868478.db2.gz	IJTJGUHWTPUGTG-OAHLLOKOSA-N	0	1	273.380	3.145	10	70		CGIEMN
COc1cccc(CCCN2CCO[C@@H]3CCCC[C@@H]32)c1	ZINC000159626582	346168020	/nfs/dbraw/zinc/16/80/20/346168020.db2.gz	QLWAOBBSPJYFGE-ZWKOTPCHSA-N	0	1	289.419	3.271	10	70		CGIEMN
COc1cc(-c2nc(-c3ccc(F)cc3)n[nH]2)ccc1F	ZINC000218359391	346292880	/nfs/dbraw/zinc/29/28/80/346292880.db2.gz	IJNFPBFRRGYWGJ-UHFFFAOYSA-N	0	1	287.269	3.426	10	70		CGIEMN
COc1cc(-c2n[nH]c(-c3ccc(F)cc3)n2)ccc1F	ZINC000218359391	346292883	/nfs/dbraw/zinc/29/28/83/346292883.db2.gz	IJNFPBFRRGYWGJ-UHFFFAOYSA-N	0	1	287.269	3.426	10	70		CGIEMN
O[C@@]12CCCC[C@@H]1CN(Cc1ccc(F)cc1F)CC2	ZINC000160779364	372275772	/nfs/dbraw/zinc/27/57/72/372275772.db2.gz	GTQRIEFLQXYEOS-CZUORRHYSA-N	0	1	281.346	3.092	10	70		CGIEMN
CC[C@](C)(O)CN(C)Cc1ccc(F)cc1Cl	ZINC000161010503	529372926	/nfs/dbraw/zinc/37/29/26/529372926.db2.gz	ZVAGYCXBIMKTMI-ZDUSSCGKSA-N	0	1	259.752	3.072	10	70		CGIEMN
CCCN(Cc1c(C)nn(C)c1OC)Cc1ccccc1	ZINC000160478625	372252384	/nfs/dbraw/zinc/25/23/84/372252384.db2.gz	BFHLCXOYVUAFBH-UHFFFAOYSA-N	0	1	287.407	3.149	10	70		CGIEMN
CCCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161209160	372309753	/nfs/dbraw/zinc/30/97/53/372309753.db2.gz	ZOAXGWSKPCBSCS-QWHCGFSZSA-N	0	1	273.298	3.223	10	70		CGIEMN
COc1cccc(CCC[N@H+]2CCC[C@H]2c2cnn(C)c2)c1	ZINC000160520167	372254617	/nfs/dbraw/zinc/25/46/17/372254617.db2.gz	XHESOWXQRCXZTI-SFHVURJKSA-N	0	1	299.418	3.198	10	70		CGIEMN
CCC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(C)C	ZINC000161176021	372307709	/nfs/dbraw/zinc/30/77/09/372307709.db2.gz	BONFLANHIZZXHI-GFCCVEGCSA-N	0	1	272.751	3.148	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1cc(Cl)ccc1C)N(C)C	ZINC000161197292	372309487	/nfs/dbraw/zinc/30/94/87/372309487.db2.gz	IIAROPOLZJGIQS-ZDUSSCGKSA-N	0	1	268.788	3.317	10	70		CGIEMN
Cc1ccc([C@@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)o1	ZINC000159414547	372141366	/nfs/dbraw/zinc/14/13/66/372141366.db2.gz	DGUZOSJVUYZPNX-SNVBAGLBSA-N	0	1	275.352	3.234	10	70		CGIEMN
CCc1nc(CN[C@@H](C)c2ccc(CC(C)C)cc2)n[nH]1	ZINC000160263761	372232551	/nfs/dbraw/zinc/23/25/51/372232551.db2.gz	CYAYSJSKHDAJLF-ZDUSSCGKSA-N	0	1	286.423	3.416	10	70		CGIEMN
CCC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(C)C	ZINC000161197411	372309642	/nfs/dbraw/zinc/30/96/42/372309642.db2.gz	IIAROPOLZJGIQS-CYBMUJFWSA-N	0	1	268.788	3.317	10	70		CGIEMN
CCOc1ccccc1[C@@H](C)N[C@H]1CCC[N@H+](CC)C1	ZINC000217913577	376181679	/nfs/dbraw/zinc/18/16/79/376181679.db2.gz	DMJQVCODNSLICY-CABCVRRESA-N	0	1	276.424	3.220	10	70		CGIEMN
CCC[C@H](C(=O)Nc1ccc(Br)cc1)N(C)C	ZINC000161143127	321863496	/nfs/dbraw/zinc/86/34/96/321863496.db2.gz	KYJVCIQRGFMXNB-GFCCVEGCSA-N	0	1	299.212	3.118	10	70		CGIEMN
CCC[C@H](C(=O)Nc1cccc(C(C)C)c1)N(C)C	ZINC000161250867	372312908	/nfs/dbraw/zinc/31/29/08/372312908.db2.gz	VOGAXRJVLJBXCT-OAHLLOKOSA-N	0	1	262.397	3.479	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1ccc2[nH]c(C)cc2c1)N(C)C	ZINC000161508327	372331661	/nfs/dbraw/zinc/33/16/61/372331661.db2.gz	IJTJGUHWTPUGTG-HNNXBMFYSA-N	0	1	273.380	3.145	10	70		CGIEMN
COc1cccc(CN[C@H](C)c2cccc(C)c2)n1	ZINC000160217761	372226469	/nfs/dbraw/zinc/22/64/69/372226469.db2.gz	KPKDTVSRUUUELZ-CYBMUJFWSA-N	0	1	256.349	3.249	10	70		CGIEMN
CCC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)C	ZINC000161150519	372305591	/nfs/dbraw/zinc/30/55/91/372305591.db2.gz	WADGSGWXUMQJSC-GFCCVEGCSA-N	0	1	288.313	3.374	10	70		CGIEMN
O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(CCCF)C1	ZINC000161058061	372299027	/nfs/dbraw/zinc/29/90/27/372299027.db2.gz	FHHFAXHJNJVWBX-QWHCGFSZSA-N	0	1	291.288	3.173	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1ccc(Cl)cc1C)N(C)C	ZINC000161319378	372316605	/nfs/dbraw/zinc/31/66/05/372316605.db2.gz	BNQAKNVPRGFNCC-ZDUSSCGKSA-N	0	1	268.788	3.317	10	70		CGIEMN
CCc1nc(CN[C@H](C)c2ccc(CC(C)C)cc2)n[nH]1	ZINC000160263948	372231941	/nfs/dbraw/zinc/23/19/41/372231941.db2.gz	CYAYSJSKHDAJLF-CYBMUJFWSA-N	0	1	286.423	3.416	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1ccc(C)cc1Cl)N(C)C	ZINC000161165087	372305711	/nfs/dbraw/zinc/30/57/11/372305711.db2.gz	CATSAQCGNQDVKD-ZDUSSCGKSA-N	0	1	268.788	3.317	10	70		CGIEMN
c1coc([C@@H]2CCCN2Cc2cnc3ccccn23)c1	ZINC000160470211	526569107	/nfs/dbraw/zinc/56/91/07/526569107.db2.gz	PKMLOIRCDXTLSE-AWEZNQCLSA-N	0	1	267.332	3.264	10	70		CGIEMN
c1coc([C@H]2CCCN2Cc2cnc3ccccn23)c1	ZINC000160470064	526570781	/nfs/dbraw/zinc/57/07/81/526570781.db2.gz	PKMLOIRCDXTLSE-CQSZACIVSA-N	0	1	267.332	3.264	10	70		CGIEMN
O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(CCCF)C1	ZINC000161057930	372298877	/nfs/dbraw/zinc/29/88/77/372298877.db2.gz	FHHFAXHJNJVWBX-STQMWFEESA-N	0	1	291.288	3.173	10	70		CGIEMN
CCC[C@H](C(=O)Nc1cccc(Cl)c1C)N(C)C	ZINC000161153847	372305873	/nfs/dbraw/zinc/30/58/73/372305873.db2.gz	ROJDWMWWERYPNM-CYBMUJFWSA-N	0	1	268.788	3.317	10	70		CGIEMN
CCC[C@H](C(=O)Nc1ccc(SC)cc1)N(C)C	ZINC000161312148	372315625	/nfs/dbraw/zinc/31/56/25/372315625.db2.gz	PUCIJIWITBAVNM-CYBMUJFWSA-N	0	1	266.410	3.077	10	70		CGIEMN
Fc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1F	ZINC000160539185	346171607	/nfs/dbraw/zinc/17/16/07/346171607.db2.gz	PNLJETSIMRCCDA-UHFFFAOYSA-N	0	1	277.318	3.068	10	70		CGIEMN
CCC[C@@H](C(=O)Nc1cc(Cl)cc(C)c1O)N(C)C	ZINC000160492083	372251464	/nfs/dbraw/zinc/25/14/64/372251464.db2.gz	SSAINLCSSKHUII-LBPRGKRZSA-N	0	1	284.787	3.023	10	70		CGIEMN
Clc1ccccc1CN1CCC(c2cc[nH]n2)CC1	ZINC000160543995	526987955	/nfs/dbraw/zinc/98/79/55/526987955.db2.gz	QDTALEQSDCBDMI-UHFFFAOYSA-N	0	1	275.783	3.443	10	70		CGIEMN
Cc1cccc([C@@H](C)NCc2cc(C(N)=O)cs2)c1	ZINC000160157754	372220652	/nfs/dbraw/zinc/22/06/52/372220652.db2.gz	KAPSTUAYAPQFCS-LLVKDONJSA-N	0	1	274.389	3.006	10	70		CGIEMN
COc1cccc(CCCN2CCO[C@H]3CCCC[C@@H]32)c1	ZINC000159626442	346167934	/nfs/dbraw/zinc/16/79/34/346167934.db2.gz	QLWAOBBSPJYFGE-ROUUACIJSA-N	0	1	289.419	3.271	10	70		CGIEMN
CCC[C@H](C(=O)Nc1ccc(C)cc1Cl)N(C)C	ZINC000161165202	372305946	/nfs/dbraw/zinc/30/59/46/372305946.db2.gz	CATSAQCGNQDVKD-CYBMUJFWSA-N	0	1	268.788	3.317	10	70		CGIEMN
CCC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(C)C	ZINC000161319510	372315723	/nfs/dbraw/zinc/31/57/23/372315723.db2.gz	BNQAKNVPRGFNCC-CYBMUJFWSA-N	0	1	268.788	3.317	10	70		CGIEMN
O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(CCCF)C1	ZINC000161058171	372298749	/nfs/dbraw/zinc/29/87/49/372298749.db2.gz	FHHFAXHJNJVWBX-OLZOCXBDSA-N	0	1	291.288	3.173	10	70		CGIEMN
CCCn1nccc1CN[C@H](C)c1cccc(C)c1	ZINC000160183697	542153147	/nfs/dbraw/zinc/15/31/47/542153147.db2.gz	LUWJHHMTNFLNMM-CQSZACIVSA-N	0	1	257.381	3.452	10	70		CGIEMN
Clc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1	ZINC000160543446	526944735	/nfs/dbraw/zinc/94/47/35/526944735.db2.gz	HQBCFCWRPFUTFH-UHFFFAOYSA-N	0	1	275.783	3.443	10	70		CGIEMN