smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1CN[C@@H](C)c1cccc(C(F)(F)F)c1	ZINC000216728806	333503668	/nfs/dbraw/zinc/50/36/68/333503668.db2.gz	LJGVBNNOIPDPOC-ZDUSSCGKSA-N	0	1	323.358	4.955	20	70		DJIDMN
CC[C@H](C)c1ccc([C@@H](NCc2cc(C)no2)C(C)C)cc1	ZINC000218194704	337934198	/nfs/dbraw/zinc/93/41/98/337934198.db2.gz	DYXLHXLXRGYDEP-LIRRHRJNSA-N	0	1	300.446	4.983	20	70		DJIDMN
Cc1nc2c(s1)[C@H](N[C@@H](C)c1cc3ccccc3o1)CCC2	ZINC000159948878	527112924	/nfs/dbraw/zinc/11/29/24/527112924.db2.gz	HJTABXVABGINLM-SMDDNHRTSA-N	0	1	312.438	4.926	20	70		DJIDMN
C[C@H](N[C@H]1CCOc2c(Cl)cccc21)c1cc(F)cc(F)c1	ZINC000161284173	337578533	/nfs/dbraw/zinc/57/85/33/337578533.db2.gz	SRLCHIQUZGPAML-QFYYESIMSA-N	0	1	323.770	4.793	20	70		DJIDMN
Cc1nc2c(s1)[C@@H](N[C@@H](C)c1cc3ccccc3o1)CCC2	ZINC000159948987	527109641	/nfs/dbraw/zinc/10/96/41/527109641.db2.gz	HJTABXVABGINLM-FZMZJTMJSA-N	0	1	312.438	4.926	20	70		DJIDMN
CCCCOc1ccc([C@H](C)N[C@H](C)c2ccoc2)cc1OC	ZINC000160471241	332804014	/nfs/dbraw/zinc/80/40/14/332804014.db2.gz	DEAWWTFEFDMIRG-LSDHHAIUSA-N	0	1	317.429	4.879	20	70		DJIDMN
CCCCOc1ccc([C@@H](C)N[C@H](C)c2ccoc2)cc1OC	ZINC000160471134	332804062	/nfs/dbraw/zinc/80/40/62/332804062.db2.gz	DEAWWTFEFDMIRG-HUUCEWRRSA-N	0	1	317.429	4.879	20	70		DJIDMN
CC[C@@H](N[C@H](CCCO)c1ccccc1)c1cc(F)ccc1F	ZINC000160743748	522942175	/nfs/dbraw/zinc/94/21/75/522942175.db2.gz	PCOYXRUKHAMHHD-RTBURBONSA-N	0	1	319.395	4.519	20	70		DJIDMN
C[C@H](N[C@H](CCO)c1ccccc1)c1cccc(Cl)c1Cl	ZINC000160959824	333697598	/nfs/dbraw/zinc/69/75/98/333697598.db2.gz	KEHDFPNEDUUXBV-BLLLJJGKSA-N	0	1	324.251	4.768	20	70		DJIDMN
CC[C@@H](N[C@@H](C)c1sc(C)nc1C)c1ccc(F)cc1F	ZINC000160806383	522915774	/nfs/dbraw/zinc/91/57/74/522915774.db2.gz	YVDWGEZUFGUXKA-ZUZCIYMTSA-N	0	1	310.413	4.840	20	70		DJIDMN
CCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C)o2)cc1OC	ZINC000160008849	332745261	/nfs/dbraw/zinc/74/52/61/332745261.db2.gz	HOXSGINGBVWHBM-GJZGRUSLSA-N	0	1	317.429	4.797	20	70		DJIDMN
CCOc1ccccc1CN[C@H](C)c1cccc(C(F)(F)F)c1	ZINC000216728863	333504141	/nfs/dbraw/zinc/50/41/41/333504141.db2.gz	LJGVBNNOIPDPOC-CYBMUJFWSA-N	0	1	323.358	4.955	20	70		DJIDMN
Cc1cccc([C@H](C)NCc2ccc(F)cc2Br)c1	ZINC000160254249	332781693	/nfs/dbraw/zinc/78/16/93/332781693.db2.gz	BMRXTFXWJMHEOP-LBPRGKRZSA-N	0	1	322.221	4.747	20	70		DJIDMN
C[C@@H](N[C@H](CCO)c1ccccc1)c1cccc(Cl)c1Cl	ZINC000160959948	333697631	/nfs/dbraw/zinc/69/76/31/333697631.db2.gz	KEHDFPNEDUUXBV-MLGOLLRUSA-N	0	1	324.251	4.768	20	70		DJIDMN
C[C@H](NCc1cccc(OCc2ccccc2)c1)c1cncs1	ZINC000159964538	338536993	/nfs/dbraw/zinc/53/69/93/338536993.db2.gz	HGJWYCFARATTHZ-HNNXBMFYSA-N	0	1	324.449	4.573	20	70		DJIDMN
CC[C@H](N[C@@H](CCCO)c1ccccc1)c1cc(F)ccc1F	ZINC000160743385	522706816	/nfs/dbraw/zinc/70/68/16/522706816.db2.gz	PCOYXRUKHAMHHD-OALUTQOASA-N	0	1	319.395	4.519	20	70		DJIDMN
CC[C@@H](N[C@H](C)c1sc(C)nc1C)c1ccc(F)cc1F	ZINC000160806616	522942702	/nfs/dbraw/zinc/94/27/02/522942702.db2.gz	YVDWGEZUFGUXKA-MEBBXXQBSA-N	0	1	310.413	4.840	20	70		DJIDMN
CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1OC	ZINC000160008723	332745362	/nfs/dbraw/zinc/74/53/62/332745362.db2.gz	HOXSGINGBVWHBM-CABCVRRESA-N	0	1	317.429	4.797	20	70		DJIDMN
CCCCCOc1ccc(CNCc2ccccc2F)cc1	ZINC000216726524	333501059	/nfs/dbraw/zinc/50/10/59/333501059.db2.gz	DHPXVMUECSUWLP-UHFFFAOYSA-N	0	1	301.405	4.685	20	70		DJIDMN
CC[C@@H](C)c1ccc([C@H](NCc2cc(C)no2)C(C)C)cc1	ZINC000218194765	337934159	/nfs/dbraw/zinc/93/41/59/337934159.db2.gz	DYXLHXLXRGYDEP-AUUYWEPGSA-N	0	1	300.446	4.983	20	70		DJIDMN
Clc1ccc(Cl)c(CNCc2cccc3cccnc32)c1	ZINC000159418932	338525581	/nfs/dbraw/zinc/52/55/81/338525581.db2.gz	LUCXSEUDDZUZMU-UHFFFAOYSA-N	0	1	317.219	4.831	20	70		DJIDMN
COc1ccc(C)cc1[C@H](C)NCc1cc(F)cc(Cl)c1	ZINC000160846617	338567207	/nfs/dbraw/zinc/56/72/07/338567207.db2.gz	SGMOPVHRRTXDCD-LBPRGKRZSA-N	0	1	307.796	4.647	20	70		DJIDMN
Cc1nc2c(s1)[C@@H](N[C@H](C)c1cc3ccccc3o1)CCC2	ZINC000159949262	527109455	/nfs/dbraw/zinc/10/94/55/527109455.db2.gz	HJTABXVABGINLM-RISCZKNCSA-N	0	1	312.438	4.926	20	70		DJIDMN
COc1ccccc1Oc1ccc(CN[C@@H](C)c2ccco2)cc1	ZINC000160949191	333692236	/nfs/dbraw/zinc/69/22/36/333692236.db2.gz	OBHQLCXOVZISCK-HNNXBMFYSA-N	0	1	323.392	4.931	20	70		DJIDMN
C[C@H](N[C@@H]1CCOc2c(Cl)cccc21)c1cc(F)cc(F)c1	ZINC000161283921	337578530	/nfs/dbraw/zinc/57/85/30/337578530.db2.gz	SRLCHIQUZGPAML-MGPLVRAMSA-N	0	1	323.770	4.793	20	70		DJIDMN
CC[C@H](N[C@@H](C)c1sc(C)nc1C)c1ccc(F)cc1F	ZINC000160806243	522702785	/nfs/dbraw/zinc/70/27/85/522702785.db2.gz	YVDWGEZUFGUXKA-BONVTDFDSA-N	0	1	310.413	4.840	20	70		DJIDMN
Fc1cc(Cl)cc(CNCc2cccc(C(F)(F)F)c2)c1	ZINC000160798859	331600606	/nfs/dbraw/zinc/60/06/06/331600606.db2.gz	SHDLPGSQRXGNKR-UHFFFAOYSA-N	0	1	317.713	4.788	20	70		DJIDMN
CC[C@@H](C)c1ccc([C@@H](NCc2cc(C)no2)C(C)C)cc1	ZINC000218194637	337934151	/nfs/dbraw/zinc/93/41/51/337934151.db2.gz	DYXLHXLXRGYDEP-KUHUBIRLSA-N	0	1	300.446	4.983	20	70		DJIDMN
CC[C@H](N[C@H](C)c1sc(C)nc1C)c1ccc(F)cc1F	ZINC000160806478	522745528	/nfs/dbraw/zinc/74/55/28/522745528.db2.gz	YVDWGEZUFGUXKA-BMIGLBTASA-N	0	1	310.413	4.840	20	70		DJIDMN
CC[C@H](N[C@H](CCCO)c1ccccc1)c1cc(F)ccc1F	ZINC000160743620	522745897	/nfs/dbraw/zinc/74/58/97/522745897.db2.gz	PCOYXRUKHAMHHD-RBUKOAKNSA-N	0	1	319.395	4.519	20	70		DJIDMN
Cc1nc2c(s1)[C@H](N[C@H](C)c1cc3ccccc3o1)CCC2	ZINC000159949120	527113439	/nfs/dbraw/zinc/11/34/39/527113439.db2.gz	HJTABXVABGINLM-BXUZGUMPSA-N	0	1	312.438	4.926	20	70		DJIDMN
CCCOc1ccc([C@H](C)N[C@H](C)c2ccc(C)o2)cc1OC	ZINC000160009108	332745227	/nfs/dbraw/zinc/74/52/27/332745227.db2.gz	HOXSGINGBVWHBM-LSDHHAIUSA-N	0	1	317.429	4.797	20	70		DJIDMN
Fc1ccc2c(c1)nccc2N[C@H]1CCO[C@@H](c2ccccc2)C1	ZINC000160658649	334877731	/nfs/dbraw/zinc/87/77/31/334877731.db2.gz	WRJHQRYYRXOSBV-OXJNMPFZSA-N	0	1	322.383	4.706	20	70		DJIDMN
CC[C@@H](N[C@@H](CCCO)c1ccccc1)c1cc(F)ccc1F	ZINC000160743511	522919713	/nfs/dbraw/zinc/91/97/13/522919713.db2.gz	PCOYXRUKHAMHHD-MOPGFXCFSA-N	0	1	319.395	4.519	20	70		DJIDMN