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)c1nc2n(n1)C[C@H](NC(=O)N1CCNC(=O)C1)CC2	ZINC000161494650	376416848	/nfs/dbraw/zinc/41/68/48/376416848.db2.gz	NHVHXUCKSGMPMJ-SNVBAGLBSA-N	0	0	306.370	-0.142	10	70		DBIERN
CN(CCN1CCOCC1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161125407	376398916	/nfs/dbraw/zinc/39/89/16/376398916.db2.gz	LUYYBKSQRAPUTG-GFCCVEGCSA-N	0	0	308.386	-0.434	10	70		DBIERN
CN1CCO[C@H]2CN(C(=O)Cn3c4ccccc4[nH]c3=O)C[C@@H]21	ZINC000159727001	377222855	/nfs/dbraw/zinc/22/28/55/377222855.db2.gz	YVCXDICMUXLXNS-KBPBESRZSA-N	0	0	316.361	-0.129	10	70		DBIERN
CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCN(C)C1=O)CC2	ZINC000160074550	375206292	/nfs/dbraw/zinc/20/62/92/375206292.db2.gz	NRLKYPDAPBTQPC-UWVGGRQHSA-N	0	0	306.370	-0.315	10	70		DBIERN
CCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCN(C)C1=O)CC2	ZINC000160074407	375206338	/nfs/dbraw/zinc/20/63/38/375206338.db2.gz	NRLKYPDAPBTQPC-ZJUUUORDSA-N	0	0	306.370	-0.315	10	70		DBIERN
CC(C)COC[C@@H](O)CNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161035204	376395075	/nfs/dbraw/zinc/39/50/75/376395075.db2.gz	DODOLCLVXVXHFG-NEPJUHHUSA-N	0	0	311.386	-0.074	10	70		DBIERN
Cc1occc1C(=O)NCC(=O)N1C[C@H]2OCCN(C)[C@H]2C1	ZINC000159699441	377218713	/nfs/dbraw/zinc/21/87/13/377218713.db2.gz	XWVBFMMRCNDQRG-QWHCGFSZSA-N	0	0	307.350	-0.141	10	70		DBIERN
C[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)CN1CCOCC1	ZINC000161114791	381045386	/nfs/dbraw/zinc/04/53/86/381045386.db2.gz	ZVAQPFFYXZHCCH-QWHCGFSZSA-N	0	0	322.413	-0.140	10	70		DBIERN
C[C@@H](NC(=O)c1cnc2c(c1)ncn2C)C(=O)N1CCOCC1	ZINC000160263506	525371471	/nfs/dbraw/zinc/37/14/71/525371471.db2.gz	NWSANMLXCFWNEN-SNVBAGLBSA-N	0	0	317.349	-0.055	10	70		DBIERN
C[C@H]1CN(c2ncnc(-n3cccn3)c2N)CCS1(=O)=O	ZINC000160739621	375418647	/nfs/dbraw/zinc/41/86/47/375418647.db2.gz	HLVDRAVVTOXXFQ-VIFPVBQESA-N	0	0	308.367	-0.132	10	70		DBIERN
Cn1cnc2cc(C(=O)NCC(=O)N3CCOCC3)cnc21	ZINC000161115343	381045970	/nfs/dbraw/zinc/04/59/70/381045970.db2.gz	KSAFKMUGEHTGSJ-UHFFFAOYSA-N	0	0	303.322	-0.443	10	70		DBIERN
C[C@@H](NC(=O)c1ccoc1)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1	ZINC000159713135	377223357	/nfs/dbraw/zinc/22/33/57/377223357.db2.gz	BCIVQOULPJCKRT-KGYLQXTDSA-N	0	0	307.350	-0.061	10	70		DBIERN
C[C@@H]1CN(c2ncnc(-n3cccn3)c2N)CCS1(=O)=O	ZINC000160739508	278817162	/nfs/dbraw/zinc/81/71/62/278817162.db2.gz	HLVDRAVVTOXXFQ-SECBINFHSA-N	0	0	308.367	-0.132	10	70		DBIERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCNC(=O)C1)CC2	ZINC000161494781	519871514	/nfs/dbraw/zinc/87/15/14/519871514.db2.gz	NHVHXUCKSGMPMJ-JTQLQIEISA-N	0	0	306.370	-0.142	10	70		DBIERN
C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1	ZINC000159667289	525244047	/nfs/dbraw/zinc/24/40/47/525244047.db2.gz	ZMHFHEIWRZZZFJ-GMXVVIOVSA-N	0	0	307.350	-0.061	10	70		DBIERN
Cn1cnc2cc(C(=O)NC[C@H]3CN4CCN3CC4)cnc21	ZINC000160937254	376388909	/nfs/dbraw/zinc/38/89/09/376388909.db2.gz	CGTZGAHSBFBHGG-LBPRGKRZSA-N	0	0	300.366	-0.302	10	70		DBIERN
COCCN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161044358	376395274	/nfs/dbraw/zinc/39/52/74/376395274.db2.gz	JPNRMZNAZOAJKS-GFCCVEGCSA-N	0	0	308.386	-0.434	10	70		DBIERN
NC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H](O)CN1CCOCC1	ZINC000159627983	303317822	/nfs/dbraw/zinc/31/78/22/303317822.db2.gz	QXHPXSBKHLLPSN-HOTGVXAUSA-N	0	0	319.405	-0.408	10	70		DBIERN
CC(C)COC[C@@H](O)CNC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161035438	519756873	/nfs/dbraw/zinc/75/68/73/519756873.db2.gz	DODOLCLVXVXHFG-RYUDHWBXSA-N	0	0	311.386	-0.074	10	70		DBIERN
CC(C)COC[C@H](O)CNC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161035331	519758649	/nfs/dbraw/zinc/75/86/49/519758649.db2.gz	DODOLCLVXVXHFG-NWDGAFQWSA-N	0	0	311.386	-0.074	10	70		DBIERN
COCCN1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1=O	ZINC000161068742	523853344	/nfs/dbraw/zinc/85/33/44/523853344.db2.gz	GGYDGTQDFCSPTJ-UHFFFAOYSA-N	0	0	317.349	-0.101	10	70		DBIERN
C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)CN1CCOCC1	ZINC000161114989	381045563	/nfs/dbraw/zinc/04/55/63/381045563.db2.gz	ZVAQPFFYXZHCCH-STQMWFEESA-N	0	0	322.413	-0.140	10	70		DBIERN
O=C([C@@H]1COCCN1)N1CCN(Cc2cccc(F)c2)C(=O)C1	ZINC000161001354	375140182	/nfs/dbraw/zinc/14/01/82/375140182.db2.gz	KHLGQYMTXRABCG-AWEZNQCLSA-N	0	0	321.352	-0.015	10	70		DBIERN
C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1	ZINC000159712787	375157965	/nfs/dbraw/zinc/15/79/65/375157965.db2.gz	BCIVQOULPJCKRT-CYZMBNFOSA-N	0	0	307.350	-0.061	10	70		DBIERN
CC(C)COC[C@H](O)CNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161035073	376395034	/nfs/dbraw/zinc/39/50/34/376395034.db2.gz	DODOLCLVXVXHFG-VXGBXAGGSA-N	0	0	311.386	-0.074	10	70		DBIERN
CN(CCN1CCOCC1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161125518	376398803	/nfs/dbraw/zinc/39/88/03/376398803.db2.gz	LUYYBKSQRAPUTG-LBPRGKRZSA-N	0	0	308.386	-0.434	10	70		DBIERN
C[C@H](NC(=O)c1cnc2c(c1)ncn2C)C(=O)N1CCOCC1	ZINC000160263388	525261115	/nfs/dbraw/zinc/26/11/15/525261115.db2.gz	NWSANMLXCFWNEN-JTQLQIEISA-N	0	0	317.349	-0.055	10	70		DBIERN
Cc1occc1C(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCCN2C	ZINC000159699572	375154257	/nfs/dbraw/zinc/15/42/57/375154257.db2.gz	XWVBFMMRCNDQRG-OLZOCXBDSA-N	0	0	307.350	-0.141	10	70		DBIERN
CCn1cnnc1[C@@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1	ZINC000161302219	376402328	/nfs/dbraw/zinc/40/23/28/376402328.db2.gz	LHKHSQLGLWIUNB-GFCCVEGCSA-N	0	0	320.397	-0.564	10	70		DBIERN
COCCN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161044496	376395007	/nfs/dbraw/zinc/39/50/07/376395007.db2.gz	JPNRMZNAZOAJKS-LBPRGKRZSA-N	0	0	308.386	-0.434	10	70		DBIERN
CC(=O)N1CC[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1	ZINC000160179135	526641936	/nfs/dbraw/zinc/64/19/36/526641936.db2.gz	GTYXIBHQXZDWLP-LLVKDONJSA-N	0	0	302.396	-0.110	10	70		DBIERN
C[C@@H](O)C(=O)N1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1	ZINC000161043155	392550252	/nfs/dbraw/zinc/55/02/52/392550252.db2.gz	MOOROQTUCPPIML-SNVBAGLBSA-N	0	0	317.349	-0.367	10	70		DBIERN
C[C@H](O)C(=O)N1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1	ZINC000161043041	392550365	/nfs/dbraw/zinc/55/03/65/392550365.db2.gz	MOOROQTUCPPIML-JTQLQIEISA-N	0	0	317.349	-0.367	10	70		DBIERN
CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161296302	392632054	/nfs/dbraw/zinc/63/20/54/392632054.db2.gz	JUXNPAWMNREZTH-PWSUYJOCSA-N	0	0	306.370	-0.241	10	70		DBIERN
CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161296509	392632128	/nfs/dbraw/zinc/63/21/28/392632128.db2.gz	JUXNPAWMNREZTH-JQWIXIFHSA-N	0	0	306.370	-0.241	10	70		DBIERN
CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161296239	277769040	/nfs/dbraw/zinc/76/90/40/277769040.db2.gz	JUXNPAWMNREZTH-ZYHUDNBSSA-N	0	0	306.370	-0.241	10	70		DBIERN
C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1	ZINC000159667025	375149213	/nfs/dbraw/zinc/14/92/13/375149213.db2.gz	ZMHFHEIWRZZZFJ-DMDPSCGWSA-N	0	0	307.350	-0.061	10	70		DBIERN
CN1CCO[C@@H]2CN(C(=O)Cn3c4ccccc4[nH]c3=O)C[C@@H]21	ZINC000159727126	377222775	/nfs/dbraw/zinc/22/27/75/377222775.db2.gz	YVCXDICMUXLXNS-UONOGXRCSA-N	0	0	316.361	-0.129	10	70		DBIERN
C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1	ZINC000159713019	377223397	/nfs/dbraw/zinc/22/33/97/377223397.db2.gz	BCIVQOULPJCKRT-WCFLWFBJSA-N	0	0	307.350	-0.061	10	70		DBIERN
CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161296396	279936006	/nfs/dbraw/zinc/93/60/06/279936006.db2.gz	JUXNPAWMNREZTH-CMPLNLGQSA-N	0	0	306.370	-0.241	10	70		DBIERN
O=C([C@H]1COCCN1)N1CCN(Cc2cccc(F)c2)C(=O)C1	ZINC000161001465	375140032	/nfs/dbraw/zinc/14/00/32/375140032.db2.gz	KHLGQYMTXRABCG-CQSZACIVSA-N	0	0	321.352	-0.015	10	70		DBIERN
C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)C[C@@H](C(N)=O)O1	ZINC000160006418	524887519	/nfs/dbraw/zinc/88/75/19/524887519.db2.gz	KOBBUERZNJPEKT-PWSUYJOCSA-N	0	0	315.333	-0.018	10	70		DBIERN
NC(=O)Cn1cc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)nn1	ZINC000160112871	526913586	/nfs/dbraw/zinc/91/35/86/526913586.db2.gz	MMGAKRKHZXCIIY-SNVBAGLBSA-N	0	0	307.354	-0.015	10	70		DBIERN
CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCN(C)C1=O)CC2	ZINC000160074119	375205806	/nfs/dbraw/zinc/20/58/06/375205806.db2.gz	NRLKYPDAPBTQPC-NXEZZACHSA-N	0	0	306.370	-0.315	10	70		DBIERN
CCn1cnnc1[C@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1	ZINC000161302331	376402790	/nfs/dbraw/zinc/40/27/90/376402790.db2.gz	LHKHSQLGLWIUNB-LBPRGKRZSA-N	0	0	320.397	-0.564	10	70		DBIERN
Cn1cc([C@@]2(C)CN(C[C@H](O)CN3CCCC3=O)CCO2)cn1	ZINC000159430664	376629210	/nfs/dbraw/zinc/62/92/10/376629210.db2.gz	NNHMHJHWYRTRPQ-GOEBONIOSA-N	0	0	322.409	-0.049	10	70		DBIERN
Cc1occc1C(=O)NCC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1	ZINC000159699302	377218213	/nfs/dbraw/zinc/21/82/13/377218213.db2.gz	XWVBFMMRCNDQRG-CHWSQXEVSA-N	0	0	307.350	-0.141	10	70		DBIERN
C[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)CN1CCOCC1	ZINC000161115068	381045520	/nfs/dbraw/zinc/04/55/20/381045520.db2.gz	ZVAQPFFYXZHCCH-OLZOCXBDSA-N	0	0	322.413	-0.140	10	70		DBIERN
CC(=O)N1CC[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1	ZINC000160178996	526658184	/nfs/dbraw/zinc/65/81/84/526658184.db2.gz	GTYXIBHQXZDWLP-NSHDSACASA-N	0	0	302.396	-0.110	10	70		DBIERN
CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)CC2	ZINC000160074259	375206461	/nfs/dbraw/zinc/20/64/61/375206461.db2.gz	NRLKYPDAPBTQPC-VHSXEESVSA-N	0	0	306.370	-0.315	10	70		DBIERN
C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)C[C@H](C(N)=O)O1	ZINC000160006292	524887334	/nfs/dbraw/zinc/88/73/34/524887334.db2.gz	KOBBUERZNJPEKT-ZYHUDNBSSA-N	0	0	315.333	-0.018	10	70		DBIERN
NC(=O)Cn1cc(C(=O)N[C@H]2CCOC3(CCCC3)C2)nn1	ZINC000160113001	375207902	/nfs/dbraw/zinc/20/79/02/375207902.db2.gz	MMGAKRKHZXCIIY-JTQLQIEISA-N	0	0	307.354	-0.015	10	70		DBIERN
Cn1cnc2cc(C(=O)NC[C@@H]3CN4CCN3CC4)cnc21	ZINC000160937117	376388707	/nfs/dbraw/zinc/38/87/07/376388707.db2.gz	CGTZGAHSBFBHGG-GFCCVEGCSA-N	0	0	300.366	-0.302	10	70		DBIERN
Cn1cc([C@]2(C)CN(C[C@H](O)CN3CCCC3=O)CCO2)cn1	ZINC000159430773	376629604	/nfs/dbraw/zinc/62/96/04/376629604.db2.gz	NNHMHJHWYRTRPQ-HOCLYGCPSA-N	0	0	322.409	-0.049	10	70		DBIERN
C[C@@H](NC(=O)c1ccco1)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1	ZINC000159667383	377217016	/nfs/dbraw/zinc/21/70/16/377217016.db2.gz	ZMHFHEIWRZZZFJ-NTZNESFSSA-N	0	0	307.350	-0.061	10	70		DBIERN
Cc1occc1C(=O)NCC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1	ZINC000159699696	377217482	/nfs/dbraw/zinc/21/74/82/377217482.db2.gz	XWVBFMMRCNDQRG-STQMWFEESA-N	0	0	307.350	-0.141	10	70		DBIERN
C[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)CN1CCOCC1	ZINC000161114885	381045288	/nfs/dbraw/zinc/04/52/88/381045288.db2.gz	ZVAQPFFYXZHCCH-CHWSQXEVSA-N	0	0	322.413	-0.140	10	70		DBIERN