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(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000001576152	562921539	/nfs/dbraw/zinc/92/15/39/562921539.db2.gz	GMNLACQTNWJVHI-OAHLLOKOSA-N	-2	0	478.469	0.272	1	30		JCEFRL
N=C(NN=Cc1ccccc1S(=O)(=O)[O-])C(=N)NN=Cc1ccccc1S(=O)(=O)[O-]	ZINC000001679295	562923202	/nfs/dbraw/zinc/92/32/02/562923202.db2.gz	SBGISQMXXJZQDG-LQGKIZFRSA-N	-2	0	452.474	0.472	1	30		JCEFRL
Nc1nc(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(/C=C\c4csnn4)CS[C@H]23)cs1	ZINC000003934277	562930180	/nfs/dbraw/zinc/93/01/80/562930180.db2.gz	RVPMCYKZKJKUBE-KMMWRPIPSA-N	-2	0	479.525	0.207	1	30		JCEFRL
Cc1nnsc1/C=C\C1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@H]2SC1	ZINC000003934281	562930150	/nfs/dbraw/zinc/93/01/50/562930150.db2.gz	WJBZDBSODZEIJF-ISGKPVDQSA-N	-2	0	493.552	0.516	1	30		JCEFRL
Cc1snnc1/C=C\C1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@H]2SC1	ZINC000003934282	562930193	/nfs/dbraw/zinc/93/01/93/562930193.db2.gz	RGRGOQJEJFSOAI-ISGKPVDQSA-N	-2	0	493.552	0.516	1	30		JCEFRL
Nc1nc(/C(=N/[O-])C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(/C=C\c4csnn4)CS[C@@H]23)cs1	ZINC000009163370	562955623	/nfs/dbraw/zinc/95/56/23/562955623.db2.gz	RVPMCYKZKJKUBE-GUXQXANLSA-N	-2	0	479.525	0.207	1	30		JCEFRL
Nc1nc(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(/C=C\c4csnn4)CS[C@@H]23)cs1	ZINC000009163371	562955642	/nfs/dbraw/zinc/95/56/42/562955642.db2.gz	RVPMCYKZKJKUBE-ZEBUDWMZSA-N	-2	0	479.525	0.207	1	30		JCEFRL
Cc1snnc1/C=C\C1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@@H]2SC1	ZINC000009163959	562955645	/nfs/dbraw/zinc/95/56/45/562955645.db2.gz	RGRGOQJEJFSOAI-SMMIFMFWSA-N	-2	0	493.552	0.516	1	30		JCEFRL
Cc1snnc1/C=C\C1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@H]2SC1	ZINC000009163960	562955652	/nfs/dbraw/zinc/95/56/52/562955652.db2.gz	RGRGOQJEJFSOAI-SAGZUPIMSA-N	-2	0	493.552	0.516	1	30		JCEFRL
Cc1nnsc1/C=C\C1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@H]2SC1	ZINC000009164111	562955619	/nfs/dbraw/zinc/95/56/19/562955619.db2.gz	WJBZDBSODZEIJF-SAGZUPIMSA-N	-2	0	493.552	0.516	1	30		JCEFRL
Cc1nnsc1/C=C\C1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@@H]2SC1	ZINC000009164112	562955637	/nfs/dbraw/zinc/95/56/37/562955637.db2.gz	WJBZDBSODZEIJF-ACQKUMPMSA-N	-2	0	493.552	0.516	1	30		JCEFRL
Nc1nc(/C(=N/[O-])C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(/C=C\c4csnn4)CS[C@H]23)cs1	ZINC000009164605	562955704	/nfs/dbraw/zinc/95/57/04/562955704.db2.gz	RVPMCYKZKJKUBE-ZHKXBUEJSA-N	-2	0	479.525	0.207	1	30		JCEFRL
Cc1snnc1/C=C\C1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@@H]2SC1	ZINC000009183360	562955745	/nfs/dbraw/zinc/95/57/45/562955745.db2.gz	RGRGOQJEJFSOAI-ACQKUMPMSA-N	-2	0	493.552	0.516	1	30		JCEFRL
Cc1nnsc1/C=C\C1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@@H]2SC1	ZINC000009183414	562955699	/nfs/dbraw/zinc/95/56/99/562955699.db2.gz	WJBZDBSODZEIJF-SMMIFMFWSA-N	-2	0	493.552	0.516	1	30		JCEFRL
C#CCN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013448350	562964438	/nfs/dbraw/zinc/96/44/38/562964438.db2.gz	IOYMKUPOYSMDNI-KRWDZBQOSA-N	-2	0	477.481	0.877	1	30		JCEFRL
COc1ccc(S(=O)(=O)N2Cc3cc(N(CC(=O)[O-])CC(=O)[O-])ccc3C[C@@H]2C(=O)NO)cc1	ZINC000013472385	562965957	/nfs/dbraw/zinc/96/59/57/562965957.db2.gz	OMKNYOFUDPIBPL-GOSISDBHSA-N	-2	0	493.494	0.292	1	30		JCEFRL
O=C[C@H](CC(=O)[O-])NC(=O)c1ccc(CNS(=O)(=O)c2cccc(-c3nc(=O)o[n-]3)c2)nc1	ZINC000013491981	562969683	/nfs/dbraw/zinc/96/96/83/562969683.db2.gz	IOBPWVWEMXSDBY-AWEZNQCLSA-N	-2	0	475.439	0.088	1	30		JCEFRL
O=C[C@H](CC(=O)[O-])NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000013491987	562969674	/nfs/dbraw/zinc/96/96/74/562969674.db2.gz	VUJHWZDCLPHWMO-VIFPVBQESA-N	-2	0	456.454	0.402	1	30		JCEFRL
O=C[C@H](CC(=O)[O-])NC(=O)c1csc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000013491988	562969650	/nfs/dbraw/zinc/96/96/50/562969650.db2.gz	XXUAWKHXQZNZAZ-JTQLQIEISA-N	-2	0	456.454	0.402	1	30		JCEFRL
O=C[C@H](CC(=O)[O-])NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cs1	ZINC000013491989	562969652	/nfs/dbraw/zinc/96/96/52/562969652.db2.gz	XTYAXJSXJWVVFZ-JTQLQIEISA-N	-2	0	456.454	0.402	1	30		JCEFRL
Cc1cc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)sc1C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000013491990	562969673	/nfs/dbraw/zinc/96/96/73/562969673.db2.gz	IEEBOWICSGFLHF-JTQLQIEISA-N	-2	0	470.481	0.711	1	30		JCEFRL
O=C[C@H](CC(=O)[O-])NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000013491992	562969656	/nfs/dbraw/zinc/96/96/56/562969656.db2.gz	FMTZTJFXNZOBIQ-ZDUSSCGKSA-N	-2	0	450.425	0.341	1	30		JCEFRL
CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000013493037	562970203	/nfs/dbraw/zinc/97/02/03/562970203.db2.gz	HXXDMVAAKHOUCT-AVGNSLFASA-N	-2	0	463.553	0.775	1	30		JCEFRL
CC[C@@H](CCCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000013553867	562973497	/nfs/dbraw/zinc/97/34/97/562973497.db2.gz	GCINBQFWBQNSMD-STQMWFEESA-N	-2	0	458.489	0.724	1	30		JCEFRL
CC[C@H](CCCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000013553868	562973510	/nfs/dbraw/zinc/97/35/10/562973510.db2.gz	GCINBQFWBQNSMD-OLZOCXBDSA-N	-2	0	458.489	0.724	1	30		JCEFRL
CC(C)[C@@H](CCCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000013553871	562973509	/nfs/dbraw/zinc/97/35/09/562973509.db2.gz	OUPLZEATDHGVRD-DZGCQCFKSA-N	-2	0	472.516	0.970	1	30		JCEFRL
CC(C)[C@H](CCCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000013553872	562973522	/nfs/dbraw/zinc/97/35/22/562973522.db2.gz	OUPLZEATDHGVRD-ZFWWWQNUSA-N	-2	0	472.516	0.970	1	30		JCEFRL
O=C[C@H](CC(=O)[O-])NC(=O)Cc1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000013553901	562973505	/nfs/dbraw/zinc/97/35/05/562973505.db2.gz	SDNJSAZVRAOZFX-JTQLQIEISA-N	-2	0	470.481	0.331	1	30		JCEFRL
C=C(CC[C@]12O[C@](C(=O)[O-])([C@H](O)[C@H]1O)[C@](O)(C(=O)[O-])CO2)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1	ZINC000013603959	562978551	/nfs/dbraw/zinc/97/85/51/562978551.db2.gz	ZCMJGEGLYJAGHL-QWJKKZGVSA-N	-2	0	494.493	0.251	1	30		JCEFRL
C=CCCCCSc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(N)n1	ZINC000013834244	563000838	/nfs/dbraw/zinc/00/08/38/563000838.db2.gz	APHPFWMKTDOADY-SDBHATRESA-N	-2	0	461.437	0.585	1	30		JCEFRL
N#CCCCCCCSc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(N)n1	ZINC000013834245	563000877	/nfs/dbraw/zinc/00/08/77/563000877.db2.gz	ZDKZOJBCVISCCN-XNIJJKJLSA-N	-2	0	488.463	0.703	1	30		JCEFRL
Nc1nc(=O)c(CCC[C@@H](C=O)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000013838234	563001595	/nfs/dbraw/zinc/00/15/95/563001595.db2.gz	WZLQSNFXSSZKIT-ZFWWWQNUSA-N	-2	0	459.459	0.288	1	30		JCEFRL
Nc1nc(=O)c(CCC[C@H](C=O)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000013838237	563001598	/nfs/dbraw/zinc/00/15/98/563001598.db2.gz	WZLQSNFXSSZKIT-HIFRSBDPSA-N	-2	0	459.459	0.288	1	30		JCEFRL
C=C(C[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-])C(=O)[O-]	ZINC000013860902	563002301	/nfs/dbraw/zinc/00/23/01/563002301.db2.gz	QOCGFUBRPXAZJX-AWEZNQCLSA-N	-2	0	466.458	0.435	1	30		JCEFRL
C=C(C[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-])C(=O)[O-]	ZINC000013860903	563002293	/nfs/dbraw/zinc/00/22/93/563002293.db2.gz	QOCGFUBRPXAZJX-CQSZACIVSA-N	-2	0	466.458	0.435	1	30		JCEFRL
C=C(C[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-])C(=O)[O-]	ZINC000013860904	563002295	/nfs/dbraw/zinc/00/22/95/563002295.db2.gz	DHQCNCKSWDXSJR-ZDUSSCGKSA-N	-2	0	452.431	0.410	1	30		JCEFRL
C=C(C[C@@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-])C(=O)[O-]	ZINC000013860905	563002312	/nfs/dbraw/zinc/00/23/12/563002312.db2.gz	DHQCNCKSWDXSJR-CYBMUJFWSA-N	-2	0	452.431	0.410	1	30		JCEFRL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](C[C@@H](C#N)C(=O)[O-])C(=O)[O-])cc1	ZINC000013860906	563002277	/nfs/dbraw/zinc/00/22/77/563002277.db2.gz	QTJFCMAGIDQVPI-FZMZJTMJSA-N	-2	0	479.457	0.018	1	30		JCEFRL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](C[C@@H](C#N)C(=O)[O-])C(=O)[O-])cc1	ZINC000013860907	563002310	/nfs/dbraw/zinc/00/23/10/563002310.db2.gz	QTJFCMAGIDQVPI-SMDDNHRTSA-N	-2	0	479.457	0.018	1	30		JCEFRL
C#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000017127909	563013467	/nfs/dbraw/zinc/01/34/67/563013467.db2.gz	GMNLACQTNWJVHI-HNNXBMFYSA-N	-2	0	478.469	0.272	1	30		JCEFRL
C#CCN(Cc1c(C)[nH]c2nc(N)[nH]c(=O)c21)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026388212	563027104	/nfs/dbraw/zinc/02/71/04/563027104.db2.gz	PUEUCBLYFYFFHQ-MRXNPFEDSA-N	-2	0	480.481	0.829	1	30		JCEFRL
Nc1nc2ccc(N[C@@H](C=O)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000026398151	563027445	/nfs/dbraw/zinc/02/74/45/563027445.db2.gz	FTAIMNWFIAZFLA-IRXDYDNUSA-N	-2	0	467.438	0.905	1	30		JCEFRL
Nc1nc2ccc(N[C@H](C=O)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000026398155	563027448	/nfs/dbraw/zinc/02/74/48/563027448.db2.gz	FTAIMNWFIAZFLA-DLBZAZTESA-N	-2	0	467.438	0.905	1	30		JCEFRL
Nc1nc2ccc(N[C@@H](C=O)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000026398159	563027465	/nfs/dbraw/zinc/02/74/65/563027465.db2.gz	FTAIMNWFIAZFLA-SJORKVTESA-N	-2	0	467.438	0.905	1	30		JCEFRL
Nc1nc2ccc(N[C@H](C=O)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000026398162	563027444	/nfs/dbraw/zinc/02/74/44/563027444.db2.gz	FTAIMNWFIAZFLA-IAGOWNOFSA-N	-2	0	467.438	0.905	1	30		JCEFRL
C#CCN(Cc1cnc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027078840	563038988	/nfs/dbraw/zinc/03/89/88/563038988.db2.gz	ZMGMVJDUIACEOB-QGZVFWFLSA-N	-2	0	478.465	0.588	1	30		JCEFRL
C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027081251	563039109	/nfs/dbraw/zinc/03/91/09/563039109.db2.gz	XRGFEWIERJRPFJ-QGZVFWFLSA-N	-2	0	478.465	0.588	1	30		JCEFRL
C#CCN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027082194	563039098	/nfs/dbraw/zinc/03/90/98/563039098.db2.gz	IOYMKUPOYSMDNI-QGZVFWFLSA-N	-2	0	477.481	0.877	1	30		JCEFRL
CC1=C(c2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O	ZINC000027408861	581092972	/nfs/dbraw/zinc/09/29/72/581092972.db2.gz	AYDMSLLRSYVYSO-KFWWJZLASA-N	-2	0	478.350	0.147	1	30		JCEFRL
CC1=C(c2cn([C@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O	ZINC000027408865	581092959	/nfs/dbraw/zinc/09/29/59/581092959.db2.gz	AYDMSLLRSYVYSO-RBSFLKMASA-N	-2	0	478.350	0.147	1	30		JCEFRL
CC1=C(c2cn([C@@H]3C[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O	ZINC000027408870	581093130	/nfs/dbraw/zinc/09/31/30/581093130.db2.gz	AYDMSLLRSYVYSO-ZNMIVQPWSA-N	-2	0	478.350	0.147	1	30		JCEFRL
CC1=C(c2cn([C@H]3C[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O	ZINC000027408874	563043406	/nfs/dbraw/zinc/04/34/06/563043406.db2.gz	AYDMSLLRSYVYSO-RRFJBIMHSA-N	-2	0	478.350	0.147	1	30		JCEFRL
C/C=C(\C)C(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\[O-])c3cnc(N)s3)[C@H]2SC1	ZINC000027725680	563050489	/nfs/dbraw/zinc/05/04/89/563050489.db2.gz	ACCJAJAAJMTSPA-NWTSILKMSA-N	-2	0	481.512	0.152	1	30		JCEFRL
CC(C)=CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\[O-])c3cnc(N)s3)[C@H]2SC1	ZINC000027737672	563050993	/nfs/dbraw/zinc/05/09/93/563050993.db2.gz	RNFIECFUFVLOET-WGHMCSAXSA-N	-2	0	481.512	0.152	1	30		JCEFRL
C#CCN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027740481	563050973	/nfs/dbraw/zinc/05/09/73/563050973.db2.gz	BENQBSMZDBRXTO-KRWDZBQOSA-N	-2	0	477.481	0.877	1	30		JCEFRL
C#CCN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027740487	563050995	/nfs/dbraw/zinc/05/09/95/563050995.db2.gz	BENQBSMZDBRXTO-QGZVFWFLSA-N	-2	0	477.481	0.877	1	30		JCEFRL
C#CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027742031	563051077	/nfs/dbraw/zinc/05/10/77/563051077.db2.gz	GVOLBCKIYMYHBJ-AWEZNQCLSA-N	-2	0	464.442	0.229	1	30		JCEFRL
C#CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027742041	563051066	/nfs/dbraw/zinc/05/10/66/563051066.db2.gz	GVOLBCKIYMYHBJ-CQSZACIVSA-N	-2	0	464.442	0.229	1	30		JCEFRL
C#CCN(C[C@H]1CCc2nc(N)[nH]c(=O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028256341	563059249	/nfs/dbraw/zinc/05/92/49/563059249.db2.gz	ZOLYPGWZGDQXCC-LIRRHRJNSA-N	-2	0	481.509	0.645	1	30		JCEFRL
C#CCN(C[C@@H]1CCc2nc(N)[nH]c(=O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028256346	563059215	/nfs/dbraw/zinc/05/92/15/563059215.db2.gz	ZOLYPGWZGDQXCC-KUHUBIRLSA-N	-2	0	481.509	0.645	1	30		JCEFRL
C#CCN(CC1=Nc2c(nc(N)[nH]c2=O)NC1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028257246	563059252	/nfs/dbraw/zinc/05/92/52/563059252.db2.gz	MHZKPTAKRBROJV-HNNXBMFYSA-N	-2	0	481.469	0.038	1	30		JCEFRL
C#CCN(CC1=Nc2c(nc(N)[nH]c2=O)NC1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028257252	563059260	/nfs/dbraw/zinc/05/92/60/563059260.db2.gz	MHZKPTAKRBROJV-OAHLLOKOSA-N	-2	0	481.469	0.038	1	30		JCEFRL
CNc1nc(C#N)nc2c1ncn2[C@H]1C[C@H](OP(=O)([O-])[O-])[C@]2(COP(=O)([O-])[O-])C[C@H]12	ZINC000028656395	563074469	/nfs/dbraw/zinc/07/44/69/563074469.db2.gz	AZMCJQGMBZKTHT-JWUFEOHASA-N	-4	0	460.280	0.278	1	30		JCEFRL
C#Cc1nc2c(ncn2[C@H]2C[C@H](OP(=O)([O-])[O-])[C@]3(COP(=O)([O-])[O-])C[C@H]23)c(NC)n1	ZINC000028701608	563074414	/nfs/dbraw/zinc/07/44/14/563074414.db2.gz	JVOQZLLPAUDWBN-HTQGBYLWSA-N	-4	0	459.292	0.388	1	30		JCEFRL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@@H](C#Cc3ccccc3)O[C@H]21	ZINC000029135210	563097999	/nfs/dbraw/zinc/09/79/99/563097999.db2.gz	PWCHDKNMCIUSPP-BYMDKACISA-N	-2	0	459.355	0.577	1	30		JCEFRL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@H](C#Cc3ccccc3)O[C@H]21	ZINC000029135212	563097998	/nfs/dbraw/zinc/09/79/98/563097998.db2.gz	PWCHDKNMCIUSPP-IQWHIPCCSA-N	-2	0	459.355	0.577	1	30		JCEFRL
CC1=C(c2cn([C@@H]3C[C@H](O)[C@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O	ZINC000036238132	581093145	/nfs/dbraw/zinc/09/31/45/581093145.db2.gz	AYDMSLLRSYVYSO-KKUMJFAQSA-N	-2	0	478.350	0.147	1	30		JCEFRL
CC1=C(c2cn([C@H]3C[C@H](O)[C@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O	ZINC000036238134	581092951	/nfs/dbraw/zinc/09/29/51/581092951.db2.gz	AYDMSLLRSYVYSO-SOUVJXGZSA-N	-2	0	478.350	0.147	1	30		JCEFRL
CC1=C(c2cn([C@@H]3C[C@@H](O)[C@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O	ZINC000036238135	581093119	/nfs/dbraw/zinc/09/31/19/581093119.db2.gz	AYDMSLLRSYVYSO-ILXRZTDVSA-N	-2	0	478.350	0.147	1	30		JCEFRL
CC1=C(c2cn([C@H]3C[C@@H](O)[C@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O	ZINC000036238137	581093124	/nfs/dbraw/zinc/09/31/24/581093124.db2.gz	AYDMSLLRSYVYSO-QLFBSQMISA-N	-2	0	478.350	0.147	1	30		JCEFRL
C=C1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000038943084	563135902	/nfs/dbraw/zinc/13/59/02/563135902.db2.gz	WJMWBNQQFOKZQT-RKDXNWHRSA-N	-4	0	478.180	0.032	1	30		JCEFRL
C=CCCCCSc1nc2c(ncn2[C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(N)n1	ZINC000049014254	563197029	/nfs/dbraw/zinc/19/70/29/563197029.db2.gz	APHPFWMKTDOADY-CGEWXTDFSA-N	-2	0	461.437	0.585	1	30		JCEFRL
N#CCCCCCCSc1nc2c(ncn2[C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(N)n1	ZINC000049018928	563197499	/nfs/dbraw/zinc/19/74/99/563197499.db2.gz	ZDKZOJBCVISCCN-VSBTWAGUSA-N	-2	0	488.463	0.703	1	30		JCEFRL
NC(=[NH2+])NC([O-])=CC[C@H](NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000049037715	563199280	/nfs/dbraw/zinc/19/92/80/563199280.db2.gz	ZXEGSKROCVZFJL-LBPRGKRZSA-N	-2	0	498.499	0.220	1	30		JCEFRL
N#Cc1ccc(CSc2nc3c(nc[nH]c3=O)n2[C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1	ZINC000049053137	563200191	/nfs/dbraw/zinc/20/01/91/563200191.db2.gz	FIZGZEAJLKVWBV-GDLHICMESA-N	-2	0	495.410	0.012	1	30		JCEFRL
N#Cc1ccc(CSc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1	ZINC000049053141	563200200	/nfs/dbraw/zinc/20/02/00/563200200.db2.gz	FIZGZEAJLKVWBV-LSCFUAHRSA-N	-2	0	495.410	0.012	1	30		JCEFRL
O=C(OC[C@@H](O)[C@@H](O)COC(=O)/C(Cc1ccc(O)cc1)=N\[O-])/C(Cc1ccc(O)cc1)=N\[O-]	ZINC000049067334	563200797	/nfs/dbraw/zinc/20/07/97/563200797.db2.gz	BXRQJOBHKCDAJW-KMMADPOHSA-N	-2	0	476.438	0.352	1	30		JCEFRL
N#Cc1ccc(CSc2nc3c(ncnc3N)n2[C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1	ZINC000049113357	563202673	/nfs/dbraw/zinc/20/26/73/563202673.db2.gz	ZXDUQGNRGINEFQ-GDLHICMESA-N	-2	0	494.426	0.301	1	30		JCEFRL
N#Cc1ccc(CSc2nc3c(ncnc3N)n2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1	ZINC000049113359	563202677	/nfs/dbraw/zinc/20/26/77/563202677.db2.gz	ZXDUQGNRGINEFQ-LSCFUAHRSA-N	-2	0	494.426	0.301	1	30		JCEFRL