smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NNC(=O)N1CCOCC1)c1ccc(-c2nn[nH]n2)nc1	ZINC000738135764	945227055	/nfs/dbraw/zinc/22/70/55/945227055.db2.gz	BKEJPJBICZEEKS-UHFFFAOYSA-N	0	0	318.297	-1.052	20	50		DAGDRN
O=C(NNC(=O)[C@H]1CCC(=O)N1)c1cccc(-c2nn[nH]n2)c1	ZINC000738299657	945258217	/nfs/dbraw/zinc/25/82/17/945258217.db2.gz	AWVPJWPOIMCIQB-SECBINFHSA-N	0	0	315.293	-1.094	20	50		DAGDRN
O=C(NNC(=O)N1CCOCC1)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000823276978	946390836	/nfs/dbraw/zinc/39/08/36/946390836.db2.gz	AOVNUGFSPWLZFR-UHFFFAOYSA-N	0	0	306.286	-1.119	20	50		DAGDRN
C[C@@H]1C[NH+](CCC(=O)NNC(=O)CNC(=O)[O-])C[C@@H](C)O1	ZINC000736812188	978358514	/nfs/dbraw/zinc/35/85/14/978358514.db2.gz	UGFPBHPYYDQIAP-RKDXNWHRSA-N	0	0	302.331	-1.099	20	50		DAGDRN
CC(C)[C@@H](CNC(=O)NNC(=O)C(=O)[O-])[NH+]1CCN(C)CC1	ZINC001590984015	991165983	/nfs/dbraw/zinc/16/59/83/991165983.db2.gz	SQUGTRWELPQYBE-SNVBAGLBSA-N	0	0	315.374	-1.327	20	50		DAGDRN
O=C(NNC(=O)N1CCOCC1)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826445243	607712620	/nfs/dbraw/zinc/71/26/20/607712620.db2.gz	LXPWMZQAXOBWIV-UHFFFAOYSA-N	0	0	306.286	-1.119	20	50		DAGDRN
O=C(NNC(=O)[C@H]1COCCO1)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826444773	607746139	/nfs/dbraw/zinc/74/61/39/607746139.db2.gz	TXIJWOPTCUISAN-MRVPVSSYSA-N	0	0	307.270	-1.629	20	50		DAGDRN
O=C([O-])NCC(=O)NNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000834205267	605514558	/nfs/dbraw/zinc/51/45/58/605514558.db2.gz	VJVRNOALMYWWOA-RKDXNWHRSA-N	0	0	315.330	-1.552	20	50		DAGDRN
NC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737758948	945121823	/nfs/dbraw/zinc/12/18/23/945121823.db2.gz	QENXSXDOGAVPIO-UHFFFAOYSA-N	0	0	304.270	-1.704	20	50		DAGDRN
O=C(Cn1cnnn1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737988510	945172480	/nfs/dbraw/zinc/17/24/80/945172480.db2.gz	KPZRUBUTWZGDBB-UHFFFAOYSA-N	0	0	314.269	-1.686	20	50		DAGDRN
O=C(NNC(=O)[C@@H]1CNC(=O)C1)c1cccc(-c2nn[nH]n2)c1	ZINC000738296159	945258133	/nfs/dbraw/zinc/25/81/33/945258133.db2.gz	KLACCOJCRPDNLG-VIFPVBQESA-N	0	0	315.293	-1.236	20	50		DAGDRN
C[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736135948	944749467	/nfs/dbraw/zinc/74/94/67/944749467.db2.gz	ZCCLRCAHNTUQJY-LURJTMIESA-N	0	0	318.297	-1.316	20	50		DAGDRN
CNC(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736879379	944904191	/nfs/dbraw/zinc/90/41/91/944904191.db2.gz	UYYXVFLZPBKMKP-UHFFFAOYSA-N	0	0	318.297	-1.443	20	50		DAGDRN
O=C(NNC(=O)[C@H]1COCCO1)c1ccc(-c2nn[nH]n2)nc1	ZINC000823273104	946372369	/nfs/dbraw/zinc/37/23/69/946372369.db2.gz	DMABSSQKMVEQHA-SECBINFHSA-N	0	0	319.281	-1.562	20	50		DAGDRN
O=C(NNC(=O)[C@H]1COCCO1)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000823273456	946380848	/nfs/dbraw/zinc/38/08/48/946380848.db2.gz	OBDNCIVCCZZBNX-MRVPVSSYSA-N	0	0	307.270	-1.629	20	50		DAGDRN
Cn1cnn(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1=O	ZINC000826365198	948143255	/nfs/dbraw/zinc/14/32/55/948143255.db2.gz	FLZDRPMDNWADJO-UHFFFAOYSA-N	0	0	315.297	-1.095	20	50		DAGDRN
C[C@H]1C[N@H+](CCCNC(=O)NNC(=O)C(=O)[O-])CCCO1	ZINC001594529420	986110693	/nfs/dbraw/zinc/11/06/93/986110693.db2.gz	YBDWWBJYNSKVRF-VIFPVBQESA-N	0	0	302.331	-1.098	20	50		DAGDRN
CN1CCC([N@@H+]2CC[C@H](NC(=O)NNC(=O)C(=O)[O-])C2)CC1	ZINC001598586161	993385820	/nfs/dbraw/zinc/38/58/20/993385820.db2.gz	POGUVEVCQLUOKJ-VIFPVBQESA-N	0	0	313.358	-1.430	20	50		DAGDRN
O=C([O-])NCC(=O)NNC(=O)NCCCC[NH+]1CCOCC1	ZINC000834205257	605507223	/nfs/dbraw/zinc/50/72/23/605507223.db2.gz	VAPJRVMMKKMAAK-UHFFFAOYSA-N	0	0	317.346	-1.303	20	50		DAGDRN
O=C([O-])NCC(=O)NNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000834205265	605515082	/nfs/dbraw/zinc/51/50/82/605515082.db2.gz	VJVRNOALMYWWOA-DTWKUNHWSA-N	0	0	315.330	-1.552	20	50		DAGDRN
NC(=O)C1(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000737737735	945121066	/nfs/dbraw/zinc/12/10/66/945121066.db2.gz	FEGRFCFJQVNZIS-UHFFFAOYSA-N	0	0	315.293	-1.107	20	50		DAGDRN
O=C(NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(-c2nn[nH]n2)c1	ZINC000738299660	945257973	/nfs/dbraw/zinc/25/79/73/945257973.db2.gz	AWVPJWPOIMCIQB-VIFPVBQESA-N	0	0	315.293	-1.094	20	50		DAGDRN
CC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000735476200	944663309	/nfs/dbraw/zinc/66/33/09/944663309.db2.gz	VFMMHCAXIBODSZ-UHFFFAOYSA-N	0	0	303.282	-1.236	20	50		DAGDRN
NC(=O)CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000822865011	946205043	/nfs/dbraw/zinc/20/50/43/946205043.db2.gz	SEELQCXUBLGLKN-UHFFFAOYSA-N	0	0	319.281	-1.732	20	50		DAGDRN
O=C(NNC(=O)[C@@H]1COCCO1)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000823273457	946380532	/nfs/dbraw/zinc/38/05/32/946380532.db2.gz	OBDNCIVCCZZBNX-QMMMGPOBSA-N	0	0	307.270	-1.629	20	50		DAGDRN
C[C@@H]1C[N@H+](CCCNC(=O)NNC(=O)C(=O)[O-])CCCO1	ZINC001594529419	986110586	/nfs/dbraw/zinc/11/05/86/986110586.db2.gz	YBDWWBJYNSKVRF-SECBINFHSA-N	0	0	302.331	-1.098	20	50		DAGDRN
CC(C)(C)C(=O)NNC(=O)CN1CC[NH+](CC(=O)[O-])CC1	ZINC001589693392	987765884	/nfs/dbraw/zinc/76/58/84/987765884.db2.gz	KWYDXHYHFKHHCL-UHFFFAOYSA-N	0	0	300.359	-1.118	20	50		DAGDRN
CNS(=O)(=O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826090940	607731506	/nfs/dbraw/zinc/73/15/06/607731506.db2.gz	RGFXGBUFKLFWGI-UHFFFAOYSA-N	0	0	311.327	-1.141	20	50		DAGDRN
O=C([O-])NCC(=O)NNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000834205264	605514922	/nfs/dbraw/zinc/51/49/22/605514922.db2.gz	VJVRNOALMYWWOA-BDAKNGLRSA-N	0	0	315.330	-1.552	20	50		DAGDRN
O=C([O-])NCCCC(=O)NNC(=O)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000834232178	605995428	/nfs/dbraw/zinc/99/54/28/605995428.db2.gz	WFBLXFQYVYVLLJ-SNVBAGLBSA-N	0	0	313.358	-1.429	20	50		DAGDRN
CC(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000735481719	944664302	/nfs/dbraw/zinc/66/43/02/944664302.db2.gz	KTJRRIQCQQWXGK-UHFFFAOYSA-N	0	0	303.282	-1.236	20	50		DAGDRN
COC(=O)C(=O)NNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	ZINC001593804234	954880095	/nfs/dbraw/zinc/88/00/95/954880095.db2.gz	HRZNJKKEAXOSQY-UHFFFAOYSA-N	0	0	302.287	-1.961	20	50		DAGDRN
CO[C@H](C(=O)[O-])C(=O)NNC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC001593909097	955956517	/nfs/dbraw/zinc/95/65/17/955956517.db2.gz	PDIAVPGZYNNRPF-QXEWZRGKSA-N	0	0	317.342	-1.267	20	50		DAGDRN
CO[C@H](C(=O)[O-])C(=O)NNC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC001593909095	955956898	/nfs/dbraw/zinc/95/68/98/955956898.db2.gz	PDIAVPGZYNNRPF-KKZNHRDASA-N	0	0	317.342	-1.267	20	50		DAGDRN
O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000834232177	605995362	/nfs/dbraw/zinc/99/53/62/605995362.db2.gz	WFBLXFQYVYVLLJ-JTQLQIEISA-N	0	0	313.358	-1.429	20	50		DAGDRN
CNC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826067102	608046407	/nfs/dbraw/zinc/04/64/07/608046407.db2.gz	BGDQSMPSCDFFQK-UHFFFAOYSA-N	0	0	318.297	-1.443	20	50		DAGDRN
NC(=O)C1(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000737738433	945120971	/nfs/dbraw/zinc/12/09/71/945120971.db2.gz	JGYOICRJEJCPLR-UHFFFAOYSA-N	0	0	315.293	-1.107	20	50		DAGDRN
NC(=O)NCCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737758378	945122808	/nfs/dbraw/zinc/12/28/08/945122808.db2.gz	JZZVJLKVAKKXDK-UHFFFAOYSA-N	0	0	318.297	-1.314	20	50		DAGDRN
CN(C)CC(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1	ZINC000736762872	944885157	/nfs/dbraw/zinc/88/51/57/944885157.db2.gz	KXIQYEAQXJBPAW-UHFFFAOYSA-N	0	0	318.341	-1.012	20	50		DAGDRN
CN(C)S(=O)(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736770503	944886629	/nfs/dbraw/zinc/88/66/29/944886629.db2.gz	MARIJPGZZFUILM-UHFFFAOYSA-N	0	0	311.327	-1.093	20	50		DAGDRN
CCOCC(=O)NNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	ZINC001591878092	951237794	/nfs/dbraw/zinc/23/77/94/951237794.db2.gz	XBRYSPUACUZDPI-UHFFFAOYSA-N	0	0	302.331	-1.098	20	50		DAGDRN
CO[C@H](C(=O)[O-])C(=O)NNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC001593909096	955956963	/nfs/dbraw/zinc/95/69/63/955956963.db2.gz	PDIAVPGZYNNRPF-NGZCFLSTSA-N	0	0	317.342	-1.267	20	50		DAGDRN
C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)CNC(=O)[O-])C[C@H](C)O1	ZINC000736812183	978358145	/nfs/dbraw/zinc/35/81/45/978358145.db2.gz	UGFPBHPYYDQIAP-DTORHVGOSA-N	0	0	302.331	-1.099	20	50		DAGDRN
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NNC(=O)C(=O)[O-]	ZINC001599836249	988747929	/nfs/dbraw/zinc/74/79/29/988747929.db2.gz	WNIHLNFFOWIUIN-VIFPVBQESA-N	0	0	303.363	-1.327	20	50		DAGDRN
CN1CCC([N@@H+]2CC[C@@H](NC(=O)NNC(=O)C(=O)[O-])C2)CC1	ZINC001598586160	993385430	/nfs/dbraw/zinc/38/54/30/993385430.db2.gz	POGUVEVCQLUOKJ-SECBINFHSA-N	0	0	313.358	-1.430	20	50		DAGDRN
CS(=O)(=O)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737162382	944973087	/nfs/dbraw/zinc/97/30/87/944973087.db2.gz	QHQUNADUTBBJJY-UHFFFAOYSA-N	0	0	324.322	-1.328	20	50		DAGDRN
O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nn[nH]n2)nc1	ZINC000823273105	946371804	/nfs/dbraw/zinc/37/18/04/946371804.db2.gz	DMABSSQKMVEQHA-VIFPVBQESA-N	0	0	319.281	-1.562	20	50		DAGDRN
O=C([O-])C[NH+]1CCC(NC(=O)NNC(=O)c2cn[nH]c2)CC1	ZINC001606240539	973515226	/nfs/dbraw/zinc/51/52/26/973515226.db2.gz	NWSFXLLAQLIONA-UHFFFAOYSA-N	0	0	310.314	-1.097	20	50		DAGDRN
O=C(CN1CC(=O)NC1=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826409893	607721090	/nfs/dbraw/zinc/72/10/90/607721090.db2.gz	SNWSRVBZRNUGBQ-UHFFFAOYSA-N	0	0	316.281	-1.138	20	50		DAGDRN
CN(NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(N)=O	ZINC000826004372	609435231	/nfs/dbraw/zinc/43/52/31/609435231.db2.gz	UUVXWELZTBHDQY-UHFFFAOYSA-N	0	0	318.297	-1.362	20	50		DAGDRN
O=C(Cn1cncn1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737988082	945172442	/nfs/dbraw/zinc/17/24/42/945172442.db2.gz	FXMHVQODHVRRJR-UHFFFAOYSA-N	0	0	313.281	-1.081	20	50		DAGDRN
CN(C)CC(=O)NNC(=O)COc1cccc(-c2nn[nH]n2)c1	ZINC000736765043	944886973	/nfs/dbraw/zinc/88/69/73/944886973.db2.gz	SXNLSWHDGMFYKO-UHFFFAOYSA-N	0	0	319.325	-1.046	20	50		DAGDRN
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@@H]1COCCO1	ZINC000822645791	946144444	/nfs/dbraw/zinc/14/44/44/946144444.db2.gz	PMVPENYDGBLGSY-VIFPVBQESA-N	0	0	321.297	-1.618	20	50		DAGDRN
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1COCCO1	ZINC000822645790	946145149	/nfs/dbraw/zinc/14/51/49/946145149.db2.gz	PMVPENYDGBLGSY-SECBINFHSA-N	0	0	321.297	-1.618	20	50		DAGDRN
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)N1CCOCC1	ZINC000822645602	946145598	/nfs/dbraw/zinc/14/55/98/946145598.db2.gz	GUZHTSWKAPTPFE-UHFFFAOYSA-N	0	0	320.313	-1.108	20	50		DAGDRN
Cn1cnn(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1=O	ZINC000826365270	948144571	/nfs/dbraw/zinc/14/45/71/948144571.db2.gz	HIJVNSKQPJGQSI-UHFFFAOYSA-N	0	0	315.297	-1.095	20	50		DAGDRN
Cn1cc(C(=O)NNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)cn1	ZINC001594530423	955527644	/nfs/dbraw/zinc/52/76/44/955527644.db2.gz	SJMUFTKZDCWYJZ-UHFFFAOYSA-N	0	0	324.341	-1.087	20	50		DAGDRN
O=C(CN1CC(=O)NC1=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826409798	607346065	/nfs/dbraw/zinc/34/60/65/607346065.db2.gz	PPKARJSJVFCSPS-UHFFFAOYSA-N	0	0	316.281	-1.138	20	50		DAGDRN
CNS(=O)(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826090535	607352584	/nfs/dbraw/zinc/35/25/84/607352584.db2.gz	IRXRUHNRXZMNFW-UHFFFAOYSA-N	0	0	311.327	-1.141	20	50		DAGDRN
O=C([O-])NCC(=O)NNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000834205266	605514619	/nfs/dbraw/zinc/51/46/19/605514619.db2.gz	VJVRNOALMYWWOA-IUCAKERBSA-N	0	0	315.330	-1.552	20	50		DAGDRN
CNC(=O)NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826067464	608046348	/nfs/dbraw/zinc/04/63/48/608046348.db2.gz	GGYXCOUWWYUOOX-UHFFFAOYSA-N	0	0	318.297	-1.443	20	50		DAGDRN
O=C(NNC(=O)N1CCOCC1)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826445231	609451647	/nfs/dbraw/zinc/45/16/47/609451647.db2.gz	LMFWCFCOZLPVGS-UHFFFAOYSA-N	0	0	306.286	-1.119	20	50		DAGDRN
O=C(NNC(=O)[C@H]1CNC(=O)C1)c1cccc(-c2nn[nH]n2)c1	ZINC000738296155	945258177	/nfs/dbraw/zinc/25/81/77/945258177.db2.gz	KLACCOJCRPDNLG-SECBINFHSA-N	0	0	315.293	-1.236	20	50		DAGDRN
O=C(NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(-c2nn[nH]n2)cc1	ZINC000738304527	945258982	/nfs/dbraw/zinc/25/89/82/945258982.db2.gz	NPKLVRBPNNQMSD-VIFPVBQESA-N	0	0	315.293	-1.094	20	50		DAGDRN
O=C(NNC(=O)[C@H]1CCC(=O)N1)c1ccc(-c2nn[nH]n2)cc1	ZINC000738304526	945259975	/nfs/dbraw/zinc/25/99/75/945259975.db2.gz	NPKLVRBPNNQMSD-SECBINFHSA-N	0	0	315.293	-1.094	20	50		DAGDRN
C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736135950	944749871	/nfs/dbraw/zinc/74/98/71/944749871.db2.gz	ZCCLRCAHNTUQJY-ZCFIWIBFSA-N	0	0	318.297	-1.316	20	50		DAGDRN
CN(C)CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000736765066	944886050	/nfs/dbraw/zinc/88/60/50/944886050.db2.gz	TUIJCVQTVMYLOX-UHFFFAOYSA-N	0	0	319.325	-1.046	20	50		DAGDRN
CN(C)CC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000736764348	944886120	/nfs/dbraw/zinc/88/61/20/944886120.db2.gz	PMAQVHCRPWNYNX-UHFFFAOYSA-N	0	0	319.325	-1.046	20	50		DAGDRN
CN(C)S(=O)(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736769777	944886195	/nfs/dbraw/zinc/88/61/95/944886195.db2.gz	BOKZZIMBFPTZPJ-UHFFFAOYSA-N	0	0	311.327	-1.093	20	50		DAGDRN
COC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736937517	944914760	/nfs/dbraw/zinc/91/47/60/944914760.db2.gz	WJPRCJZPMWRRSB-UHFFFAOYSA-N	0	0	319.281	-1.016	20	50		DAGDRN
CO[C@@H](C(=O)[O-])C(=O)NNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC001593909098	955957161	/nfs/dbraw/zinc/95/71/61/955957161.db2.gz	PDIAVPGZYNNRPF-WCABBAIRSA-N	0	0	317.342	-1.267	20	50		DAGDRN
C[C@H]1C[NH+](CCC(=O)NNC(=O)CNC(=O)[O-])C[C@H](C)O1	ZINC000736812185	978357938	/nfs/dbraw/zinc/35/79/38/978357938.db2.gz	UGFPBHPYYDQIAP-IUCAKERBSA-N	0	0	302.331	-1.099	20	50		DAGDRN
CC(C)[C@H](CNC(=O)NNC(=O)C(=O)[O-])[NH+]1CCN(C)CC1	ZINC001590984014	991165879	/nfs/dbraw/zinc/16/58/79/991165879.db2.gz	SQUGTRWELPQYBE-JTQLQIEISA-N	0	0	315.374	-1.327	20	50		DAGDRN
CN1CC[NH+](CCCCNC(=O)NNC(=O)C(=O)[O-])CC1	ZINC001598617447	993915720	/nfs/dbraw/zinc/91/57/20/993915720.db2.gz	XULIFRVPLPPOOT-UHFFFAOYSA-N	0	0	301.347	-1.571	20	50		DAGDRN
O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826444774	607745956	/nfs/dbraw/zinc/74/59/56/607745956.db2.gz	TXIJWOPTCUISAN-QMMMGPOBSA-N	0	0	307.270	-1.629	20	50		DAGDRN