smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@@H](CCSc2nn[n-]n2)C(=O)[O-])c(F)c1	ZINC000003832380	561683609	/nfs/dbraw/zinc/68/36/09/561683609.db2.gz	BWVROJGHQHMWET-NRFANRHFSA-N	-2	1	564.603	2.197	1	30		KEEFML
C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@@H](CCCSc2nc(=O)[n-][nH]2)C(=O)[O-])c(F)c1	ZINC000004812222	561695389	/nfs/dbraw/zinc/69/53/89/561695389.db2.gz	PHXXJUHTYFOBAG-QFIPXVFZSA-N	-2	1	593.641	2.486	1	30		KEEFML
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1C[C@H](OC(=O)N[C@@H](CS)Cc2ccccc2)C[C@H]1C(=O)[O-]	ZINC000026577804	561802349	/nfs/dbraw/zinc/80/23/49/561802349.db2.gz	DLJQWTYQJUYEKO-IZFXNUPESA-N	-2	1	557.669	2.372	1	30		KEEFML
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1C[C@H](OC(=O)N[C@H](CS)Cc2ccccc2)C[C@H]1C(=O)[O-]	ZINC000026577805	561802295	/nfs/dbraw/zinc/80/22/95/561802295.db2.gz	DLJQWTYQJUYEKO-OLCDPMAZSA-N	-2	1	557.669	2.372	1	30		KEEFML
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1C[C@@H](NC(=O)[C@@H](CS)Cc2ccccc2)C[C@H]1C(=O)[O-]	ZINC000026579725	561805132	/nfs/dbraw/zinc/80/51/32/561805132.db2.gz	YOWOQWLJRHUIFT-GXWFBMCDSA-N	-2	1	541.670	2.010	1	30		KEEFML
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1C[C@@H](NC(=O)[C@H](CS)Cc2ccccc2)C[C@H]1C(=O)[O-]	ZINC000026579726	561805108	/nfs/dbraw/zinc/80/51/08/561805108.db2.gz	YOWOQWLJRHUIFT-NHKCCNDQSA-N	-2	1	541.670	2.010	1	30		KEEFML
C#CCN(Cc1ccc2nc(-n3ccnc3)[n-]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027649920	561876415	/nfs/dbraw/zinc/87/64/15/561876415.db2.gz	BHOOQXJZJJORGK-JOCHJYFZSA-N	-3	1	528.525	2.209	1	30		KEEFML
C#CCN(Cc1ccc2nc(-n3ccnc3)[n-]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027649925	561876408	/nfs/dbraw/zinc/87/64/08/561876408.db2.gz	BHOOQXJZJJORGK-QFIPXVFZSA-N	-3	1	528.525	2.209	1	30		KEEFML
CNC(=S)N/N=C/c1cc2c(c(O)c1C(=O)[O-])-c1c(O)c3c(c(OC)c1CC2)C(=O)c1c(O)c(C)c([O-])cc1C3=O	ZINC000028762383	561958432	/nfs/dbraw/zinc/95/84/32/561958432.db2.gz	GNMGEMXJINLKFD-BEJOPBHTSA-N	-2	1	577.571	2.493	1	30		KEEFML
COc1c2c(c(O)c3c1C(=O)c1c(O)c(C)c([O-])cc1C3=O)-c1c(cc(/C=N/NC(N)=S)c(C(=O)[O-])c1O)CC2	ZINC000028764596	561959127	/nfs/dbraw/zinc/95/91/27/561959127.db2.gz	MVKAFEFTXONHLO-HBRQFSJYSA-N	-2	1	563.544	2.232	1	30		KEEFML
C#CCN(c1ccc(C(=O)N[C@@H](CCC(=O)N[C@H](C)c2nn[n-]n2)C(=O)[O-])cc1)[C@@H]1CCc2cc3nc(C)[nH]c(=O)c3cc21	ZINC000029555438	562032063	/nfs/dbraw/zinc/03/20/63/562032063.db2.gz	SHTBECWTWGDPKZ-PWBHZWRTSA-N	-2	1	597.636	2.125	1	30		KEEFML
C#CCN(c1ccc(C(=O)N[C@@H](CCC(=O)N[C@H](C)c2nn[n-]n2)C(=O)[O-])cc1)[C@H]1CCc2cc3nc(C)[nH]c(=O)c3cc21	ZINC000029555442	562032054	/nfs/dbraw/zinc/03/20/54/562032054.db2.gz	SHTBECWTWGDPKZ-OYMMJLNRSA-N	-2	1	597.636	2.125	1	30		KEEFML
CCCOc1c2ccc(C[NH+]3CCC3)cc2c(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000071295750	562717291	/nfs/dbraw/zinc/71/72/91/562717291.db2.gz	LMHKQNBDEVIKKK-QZDXGZOUSA-N	-2	1	591.661	2.268	1	30		KEEFML
CC(=O)NC1=CC(=O)c2ccc(-c3[nH]c(C(=O)OCCOP(=O)([O-])[O-])cc4c5ccccc5nc3-4)nc2C1=O	ZINC000100981012	562808551	/nfs/dbraw/zinc/80/85/51/562808551.db2.gz	LNLXOELQWRIGLI-UHFFFAOYSA-N	-2	1	550.420	2.395	1	30		KEEFML
C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@@H](CCCC[S@](=O)c2nn[n-]n2)C(=O)[O-])c(F)c1	ZINC000102778762	562813286	/nfs/dbraw/zinc/81/32/86/562813286.db2.gz	LUEVROSCLILPJS-PHZMSIOZSA-N	-2	1	608.656	2.405	1	30		KEEFML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccc(Br)cc4)[C@H]3[C@H](O)[C@@H]12	ZINC000150536524	562843969	/nfs/dbraw/zinc/84/39/69/562843969.db2.gz	LCOFSHGVISGMQK-SBPOKIJDSA-N	-2	1	631.501	2.031	1	30		KEEFML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccc(Br)cc4)[C@H]3[C@H](O)[C@H]12	ZINC000150536526	562843973	/nfs/dbraw/zinc/84/39/73/562843973.db2.gz	LCOFSHGVISGMQK-XOTBRKJASA-N	-2	1	631.501	2.031	1	30		KEEFML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccc(Br)cc4)[C@@H]3[C@H](O)[C@@H]12	ZINC000150536528	562843959	/nfs/dbraw/zinc/84/39/59/562843959.db2.gz	LCOFSHGVISGMQK-XYQFFVNOSA-N	-2	1	631.501	2.031	1	30		KEEFML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccc(Br)cc4)[C@@H]3[C@H](O)[C@H]12	ZINC000150536529	562843955	/nfs/dbraw/zinc/84/39/55/562843955.db2.gz	LCOFSHGVISGMQK-XGONBWKDSA-N	-2	1	631.501	2.031	1	30		KEEFML
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(Br)cc3)c(O)c12	ZINC000169307972	562853959	/nfs/dbraw/zinc/85/39/59/562853959.db2.gz	BDCZAGDCRBJPLT-HKWRFOASSA-N	-2	1	502.324	2.171	1	30		KEEFML
Cn1ccc(N=C2C=CC(=NC([O-])=c3ccc(=C([O-])Nc4ccc(Nc5ccn(C)c(=N)n5)cc4)cc3)C=C2)nc1=N	ZINC000377819986	562896190	/nfs/dbraw/zinc/89/61/90/562896190.db2.gz	WMCSASKZQZUMPB-UHFFFAOYSA-O	-2	1	561.630	2.144	1	30		KEEFML
Cc1cc(O)c2c(c1)C(=O)[C@@]13C(=C2[O-])C(=O)[C@H]2[C@H](O)[C@@H]1[C@H]1[C@@H](O)[C@@H]3C(=O)C3=C([O-])c4c(O)cc(C)cc4C(=O)[C@]321	ZINC000473088564	562897309	/nfs/dbraw/zinc/89/73/09/562897309.db2.gz	OYNIPTDPTUSUAY-FOMABWSXSA-N	-2	1	542.496	2.011	1	30		KEEFML