smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](CC(=O)[O-])NC(=O)C(F)(F)F	ZINC000034118064	600243347	/nfs/dbraw/zinc/24/33/47/600243347.db2.gz	OUDCCNCAFDBFQO-VKHMYHEASA-N	-1	2	243.137	-0.319	20	0		BBADLM
COC(=O)C[C@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000036468132	600243323	/nfs/dbraw/zinc/24/33/23/600243323.db2.gz	SYZRIIGYHJLYDW-VKHMYHEASA-N	-1	2	243.137	-0.319	20	0		BBADLM
O=C(N=c1[n-]nc2ccccn21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000044500788	711823442	/nfs/dbraw/zinc/82/34/42/711823442.db2.gz	FRDYBSBHXDQCRW-RNFRBKRXSA-N	-1	2	247.214	-0.245	20	0		BBADLM
O=C([O-])[C@]1(NC(=O)C(F)(F)F)CCOC1	ZINC000082962751	601765595	/nfs/dbraw/zinc/76/55/95/601765595.db2.gz	QIAVGNMUPYUDGK-LURJTMIESA-N	-1	2	227.138	-0.091	20	0		BBADLM
O=C([O-])[C@@]1(NC(=O)C(F)(F)F)CCOC1	ZINC000082962752	601765466	/nfs/dbraw/zinc/76/54/66/601765466.db2.gz	QIAVGNMUPYUDGK-ZCFIWIBFSA-N	-1	2	227.138	-0.091	20	0		BBADLM
CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CCOC1	ZINC000091540411	491130973	/nfs/dbraw/zinc/13/09/73/491130973.db2.gz	XJWVQPSCOBLPCJ-QMMMGPOBSA-N	-1	2	226.280	-0.044	20	0		BBADLM
CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CCOC1	ZINC000091540412	491130961	/nfs/dbraw/zinc/13/09/61/491130961.db2.gz	XJWVQPSCOBLPCJ-MRVPVSSYSA-N	-1	2	226.280	-0.044	20	0		BBADLM
COCCONC(=O)CSCC(=O)[O-]	ZINC000126178896	590246409	/nfs/dbraw/zinc/24/64/09/590246409.db2.gz	SIRXAVBOQLEXBG-UHFFFAOYSA-N	-1	2	223.250	-0.502	20	0		BBADLM
[NH3+]CC(F)(F)CNC(=O)c1cnn[nH]1	ZINC000164877025	388387023	/nfs/dbraw/zinc/38/70/23/388387023.db2.gz	YXXHXVLMXPUMBU-UHFFFAOYSA-N	-1	2	205.168	-0.872	20	0		BBADLM
[NH3+]CC(F)(F)CNC(=O)c1cn[nH]n1	ZINC000164877025	388387021	/nfs/dbraw/zinc/38/70/21/388387021.db2.gz	YXXHXVLMXPUMBU-UHFFFAOYSA-N	-1	2	205.168	-0.872	20	0		BBADLM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C(F)(F)F	ZINC000196603639	600243295	/nfs/dbraw/zinc/24/32/95/600243295.db2.gz	OUDCCNCAFDBFQO-GSVOUGTGSA-N	-1	2	243.137	-0.319	20	0		BBADLM
COC(=O)C[C@@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000214266113	591543317	/nfs/dbraw/zinc/54/33/17/591543317.db2.gz	SYZRIIGYHJLYDW-GSVOUGTGSA-N	-1	2	243.137	-0.319	20	0		BBADLM
CCO[N-]C(=O)CSCC(=O)NOCC	ZINC000264403288	386234444	/nfs/dbraw/zinc/23/44/44/386234444.db2.gz	OTNKEIRDZCGVTN-UHFFFAOYSA-N	-1	2	236.293	-0.145	20	0		BBADLM
COC(=O)C[N@H+](C)CCCOC(=O)NC(N)=O	ZINC000271477663	385832337	/nfs/dbraw/zinc/83/23/37/385832337.db2.gz	HXKGSHGRLGAIKM-UHFFFAOYSA-N	-1	2	247.251	-0.714	20	0		BBADLM
CCCCC[N@@H+](CC(N)=O)Cc1nc(=O)[nH][nH]1	ZINC000272646776	385920581	/nfs/dbraw/zinc/92/05/81/385920581.db2.gz	YNLXVPHECIYEJG-UHFFFAOYSA-N	-1	2	241.295	-0.425	20	0		BBADLM
CC(C)CONC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000275093614	188201483	/nfs/dbraw/zinc/20/14/83/188201483.db2.gz	HGCYGIYNHIGZEJ-UHFFFAOYSA-N	-1	2	246.292	-0.106	20	0		BBADLM
Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)n1	ZINC000279144972	178202458	/nfs/dbraw/zinc/20/24/58/178202458.db2.gz	YUJIFPGCCVAKTQ-HLTSFMKQSA-N	-1	2	239.275	-0.411	20	0		BBADLM
COC(=O)C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1	ZINC000289520695	386323716	/nfs/dbraw/zinc/32/37/16/386323716.db2.gz	VOIVBXAESJIHGK-SSDOTTSWSA-N	-1	2	240.263	-0.550	20	0		BBADLM
COC(=O)C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1	ZINC000289520699	386323583	/nfs/dbraw/zinc/32/35/83/386323583.db2.gz	VOIVBXAESJIHGK-ZETCQYMHSA-N	-1	2	240.263	-0.550	20	0		BBADLM
O=C(CSc1n[nH]c(=O)[n-]1)NOCC1CC1	ZINC000293693241	182011086	/nfs/dbraw/zinc/01/10/86/182011086.db2.gz	CJRHGZZFISQTTF-UHFFFAOYSA-N	-1	2	244.276	-0.352	20	0		BBADLM
OCCON=C(O)N=c1cn[n-]s1	ZINC000307177607	711773612	/nfs/dbraw/zinc/77/36/12/711773612.db2.gz	IKRWDUOIGMDQHP-UHFFFAOYSA-N	-1	2	204.211	-0.417	20	0		BBADLM
C[C@@H](NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000308550820	385578983	/nfs/dbraw/zinc/57/89/83/385578983.db2.gz	XISGETOSJLIKNE-GSVOUGTGSA-N	-1	2	235.183	-0.059	20	0		BBADLM
CN(CC[NH+](C)C)S(=O)(=O)c1ncc[nH]1	ZINC000309016118	385936125	/nfs/dbraw/zinc/93/61/25/385936125.db2.gz	ZNHWOLPAYUVIHN-UHFFFAOYSA-N	-1	2	232.309	-0.408	20	0		BBADLM
Cn1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1	ZINC000335968368	134028893	/nfs/dbraw/zinc/02/88/93/134028893.db2.gz	ZGTLNVGGLZHNLV-JTQLQIEISA-N	-1	2	248.286	-0.239	20	0		BBADLM
Cn1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1	ZINC000335968369	134028765	/nfs/dbraw/zinc/02/87/65/134028765.db2.gz	ZGTLNVGGLZHNLV-SNVBAGLBSA-N	-1	2	248.286	-0.239	20	0		BBADLM
CC[N@H+](CCO)Cc1cc(=O)n2[nH]ccc2n1	ZINC000343041563	352952459	/nfs/dbraw/zinc/95/24/59/352952459.db2.gz	HWMSURKKJZXPNW-UHFFFAOYSA-N	-1	2	236.275	-0.163	20	0		BBADLM
O=C(CN1CC[NH2+]CC1=O)Nc1ccccc1O	ZINC000358132334	386896166	/nfs/dbraw/zinc/89/61/66/386896166.db2.gz	OVWCSGRMKLQFIQ-UHFFFAOYSA-N	-1	2	249.270	-0.238	20	0		BBADLM
O=c1[n-]c(SCc2n[nH]c(=O)[nH]2)n[nH]1	ZINC000361996301	183306583	/nfs/dbraw/zinc/30/65/83/183306583.db2.gz	NUDVDUCPXFHIIJ-UHFFFAOYSA-N	-1	2	214.210	-0.374	20	0		BBADLM
C[N@@H+](CCNS(=O)(=O)c1ncc[nH]1)C1CC1	ZINC000381080859	360615448	/nfs/dbraw/zinc/61/54/48/360615448.db2.gz	RIVNPSRHAXVYFH-UHFFFAOYSA-N	-1	2	244.320	-0.218	20	0		BBADLM
CN(C1CC1)S(=O)(=O)NCC(F)(F)C[NH3+]	ZINC000381208050	398234711	/nfs/dbraw/zinc/23/47/11/398234711.db2.gz	GPTFXHNZJSNISV-UHFFFAOYSA-N	-1	2	243.279	-0.491	20	0		BBADLM
Cc1nsc(NCCc2nc(=N)[n-]o2)n1	ZINC000393727917	582920764	/nfs/dbraw/zinc/92/07/64/582920764.db2.gz	JMSRCUPIZIVIKN-UHFFFAOYSA-N	-1	2	226.265	-0.281	20	0		BBADLM
CC[C@@H](C(=O)[O-])[N@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000393767137	582923096	/nfs/dbraw/zinc/92/30/96/582923096.db2.gz	CLCWOTDTLVFLDK-BQBZGAKWSA-N	-1	2	217.221	-0.365	20	0		BBADLM
CC[C@@H](C(=O)[O-])[N@@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000393767137	582923095	/nfs/dbraw/zinc/92/30/95/582923095.db2.gz	CLCWOTDTLVFLDK-BQBZGAKWSA-N	-1	2	217.221	-0.365	20	0		BBADLM
CC[C@@H](C(=O)[O-])[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000393767139	582923166	/nfs/dbraw/zinc/92/31/66/582923166.db2.gz	CLCWOTDTLVFLDK-NKWVEPMBSA-N	-1	2	217.221	-0.365	20	0		BBADLM
CC[C@@H](C(=O)[O-])[N@@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000393767139	582923165	/nfs/dbraw/zinc/92/31/65/582923165.db2.gz	CLCWOTDTLVFLDK-NKWVEPMBSA-N	-1	2	217.221	-0.365	20	0		BBADLM
CC[C@H](C(=O)[O-])[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000393767143	582922676	/nfs/dbraw/zinc/92/26/76/582922676.db2.gz	CLCWOTDTLVFLDK-RNFRBKRXSA-N	-1	2	217.221	-0.365	20	0		BBADLM
CC[C@H](C(=O)[O-])[N@@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000393767143	582922675	/nfs/dbraw/zinc/92/26/75/582922675.db2.gz	CLCWOTDTLVFLDK-RNFRBKRXSA-N	-1	2	217.221	-0.365	20	0		BBADLM
CC[C@H](C(=O)[O-])[N@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000393767144	582922989	/nfs/dbraw/zinc/92/29/89/582922989.db2.gz	CLCWOTDTLVFLDK-RQJHMYQMSA-N	-1	2	217.221	-0.365	20	0		BBADLM
CC[C@H](C(=O)[O-])[N@@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000393767144	582922988	/nfs/dbraw/zinc/92/29/88/582922988.db2.gz	CLCWOTDTLVFLDK-RQJHMYQMSA-N	-1	2	217.221	-0.365	20	0		BBADLM
O=C(NCc1c[nH]nn1)c1cncc(O)c1	ZINC000398291709	634323411	/nfs/dbraw/zinc/32/34/11/634323411.db2.gz	LWTDCTKJUHPKPS-UHFFFAOYSA-N	-1	2	219.204	-0.165	20	0		BBADLM
Cn1[nH]c(C[N@H+]2CCCC[C@@H]2CCO)nc1=O	ZINC000408148951	384379390	/nfs/dbraw/zinc/37/93/90/384379390.db2.gz	ISORRRMTKYAXPN-SECBINFHSA-N	-1	2	240.307	-0.155	20	0		BBADLM
CCC[C@@H](NC(=O)C[NH+](C)C)c1nn[nH]n1	ZINC000442673462	387819395	/nfs/dbraw/zinc/81/93/95/387819395.db2.gz	SETXVTNCBHOKND-SSDOTTSWSA-N	-1	2	226.284	-0.281	20	0		BBADLM
C[C@@H]1C[N@@H+](CCNC(=O)c2cn[nH]n2)CCO1	ZINC000523777846	388859377	/nfs/dbraw/zinc/85/93/77/388859377.db2.gz	KPXPGUPZVWRRPU-MRVPVSSYSA-N	-1	2	239.279	-0.745	20	0		BBADLM
C[C@H]1C[N@@H+](CCNC(=O)c2cn[nH]n2)CCO1	ZINC000523777847	388860004	/nfs/dbraw/zinc/86/00/04/388860004.db2.gz	KPXPGUPZVWRRPU-QMMMGPOBSA-N	-1	2	239.279	-0.745	20	0		BBADLM
NC(=O)CCCNC(=O)c1cccc2[nH]nnc21	ZINC000525864702	323179621	/nfs/dbraw/zinc/17/96/21/323179621.db2.gz	BHRVGPOUTROYEO-UHFFFAOYSA-N	-1	2	247.258	-0.047	20	0		BBADLM
O=C(N[C@@H]1CNC(=O)C1)c1cccc2[nH]nnc21	ZINC000526119761	323231381	/nfs/dbraw/zinc/23/13/81/323231381.db2.gz	NZORHECDQJUUKW-LURJTMIESA-N	-1	2	245.242	-0.424	20	0		BBADLM
O=C(N[C@H]1CNC(=O)C1)c1cccc2[nH]nnc21	ZINC000526119762	323231365	/nfs/dbraw/zinc/23/13/65/323231365.db2.gz	NZORHECDQJUUKW-ZCFIWIBFSA-N	-1	2	245.242	-0.424	20	0		BBADLM
CNC(=O)[C@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000527366311	386447397	/nfs/dbraw/zinc/44/73/97/386447397.db2.gz	XSELHJUYTUKTHG-LURJTMIESA-N	-1	2	247.258	-0.178	20	0		BBADLM
NC(=O)C1(NC(=O)c2cccc3[nH]nnc32)CC1	ZINC000542820940	325053058	/nfs/dbraw/zinc/05/30/58/325053058.db2.gz	USQLZBHZZNRQJT-UHFFFAOYSA-N	-1	2	245.242	-0.294	20	0		BBADLM
NC(=O)CNC(=O)c1cccc2[nH]nnc21	ZINC000542821117	325053309	/nfs/dbraw/zinc/05/33/09/325053309.db2.gz	KHZZNYYVWWCCLD-UHFFFAOYSA-N	-1	2	219.204	-0.827	20	0		BBADLM
O=C(NCCO)c1cccc2[nH]nnc21	ZINC000542822171	325052917	/nfs/dbraw/zinc/05/29/17/325052917.db2.gz	RLDNUXNOCWEFDH-UHFFFAOYSA-N	-1	2	206.205	-0.320	20	0		BBADLM
O=C1NC[C@@H]2C[N@H+](Cc3ncccc3O)CCN12	ZINC000561951727	323009272	/nfs/dbraw/zinc/00/92/72/323009272.db2.gz	WWUFHQPAYUOOPX-SECBINFHSA-N	-1	2	248.286	-0.003	20	0		BBADLM
O=C1NC[C@H]2C[N@H+](Cc3ncccc3O)CCN12	ZINC000561951730	323009329	/nfs/dbraw/zinc/00/93/29/323009329.db2.gz	WWUFHQPAYUOOPX-VIFPVBQESA-N	-1	2	248.286	-0.003	20	0		BBADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NCCc1ncn[nH]1	ZINC000565720908	388966486	/nfs/dbraw/zinc/96/64/86/388966486.db2.gz	VIZGVNNCPZBGSF-MRVPVSSYSA-N	-1	2	240.263	-0.180	20	0		BBADLM
CC(C)[C@H](C(=O)[O-])C(=O)NCCc1ncn[nH]1	ZINC000565721057	388963288	/nfs/dbraw/zinc/96/32/88/388963288.db2.gz	VIZGVNNCPZBGSF-QMMMGPOBSA-N	-1	2	240.263	-0.180	20	0		BBADLM
C[C@H](NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000566676998	323010060	/nfs/dbraw/zinc/01/00/60/323010060.db2.gz	XISGETOSJLIKNE-VKHMYHEASA-N	-1	2	235.183	-0.059	20	0		BBADLM
Cc1nc(=NC[C@@](C)(O)C(=O)[O-])s[nH]1	ZINC000573210790	388432245	/nfs/dbraw/zinc/43/22/45/388432245.db2.gz	XABXSKPHYAWYBW-SSDOTTSWSA-N	-1	2	217.250	-0.484	20	0		BBADLM
Cc1nc(=NC[C@](C)(O)C(=O)[O-])s[nH]1	ZINC000573210791	388432920	/nfs/dbraw/zinc/43/29/20/388432920.db2.gz	XABXSKPHYAWYBW-ZETCQYMHSA-N	-1	2	217.250	-0.484	20	0		BBADLM
C[C@@H](C(=O)[O-])C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000576992674	365745973	/nfs/dbraw/zinc/74/59/73/365745973.db2.gz	YKQOKGSCOKIPAE-RXMQYKEDSA-N	-1	2	242.235	-0.720	20	0		BBADLM
C[C@H](C(=O)[O-])C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000576992675	365745879	/nfs/dbraw/zinc/74/58/79/365745879.db2.gz	YKQOKGSCOKIPAE-YFKPBYRVSA-N	-1	2	242.235	-0.720	20	0		BBADLM
Cc1nocc1S(=O)(=O)NCC[NH+]1CCC1	ZINC000632133687	372773894	/nfs/dbraw/zinc/77/38/94/372773894.db2.gz	GMIGMHLYSSRFJN-UHFFFAOYSA-N	-1	2	245.304	-0.033	20	0		BBADLM
C[NH+](C)C1CN(C(=O)CCCc2nn[nH]n2)C1	ZINC000635745611	346046532	/nfs/dbraw/zinc/04/65/32/346046532.db2.gz	XFQVCFJCWKVJOC-UHFFFAOYSA-N	-1	2	238.295	-0.705	20	0		BBADLM
CC(C)[C@H](C(=O)[O-])C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000649459101	398259873	/nfs/dbraw/zinc/25/98/73/398259873.db2.gz	BKXNJCSGVPYLFS-LURJTMIESA-N	-1	2	242.235	-0.517	20	0		BBADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000649459102	398259663	/nfs/dbraw/zinc/25/96/63/398259663.db2.gz	BKXNJCSGVPYLFS-ZCFIWIBFSA-N	-1	2	242.235	-0.517	20	0		BBADLM
C[C@](O)(CNc1cc[nH+]c(C(=O)[O-])c1)C(=O)[O-]	ZINC000650773200	410422586	/nfs/dbraw/zinc/42/25/86/410422586.db2.gz	PVTYUQCAEDHLNL-JTQLQIEISA-N	-1	2	240.215	-0.551	20	0		BBADLM
C[C@@](O)(CNc1cc[nH+]c(C(=O)[O-])c1)C(=O)[O-]	ZINC000650773201	410422549	/nfs/dbraw/zinc/42/25/49/410422549.db2.gz	PVTYUQCAEDHLNL-SNVBAGLBSA-N	-1	2	240.215	-0.551	20	0		BBADLM
C[C@@H](CNC(=O)N=c1cccn[nH]1)C(=O)[O-]	ZINC000653540615	487961398	/nfs/dbraw/zinc/96/13/98/487961398.db2.gz	NRCANUFIOZEDQQ-LURJTMIESA-N	-1	2	224.220	-0.259	20	0		BBADLM
C[C@H](CNC(=O)N=c1cccn[nH]1)C(=O)[O-]	ZINC000653540616	487961814	/nfs/dbraw/zinc/96/18/14/487961814.db2.gz	NRCANUFIOZEDQQ-ZCFIWIBFSA-N	-1	2	224.220	-0.259	20	0		BBADLM
Cc1nc(=NC(=O)NC[C@@H](C)C(=O)[O-])[nH]n1C	ZINC000653545988	487962776	/nfs/dbraw/zinc/96/27/76/487962776.db2.gz	UVJFFMOJRAZBCV-RXMQYKEDSA-N	-1	2	241.251	-0.612	20	0		BBADLM
Cc1nc(=NC(=O)NC[C@H](C)C(=O)[O-])[nH]n1C	ZINC000653545989	487962403	/nfs/dbraw/zinc/96/24/03/487962403.db2.gz	UVJFFMOJRAZBCV-YFKPBYRVSA-N	-1	2	241.251	-0.612	20	0		BBADLM
O=C([O-])CC[N@H+]1CCOC[C@H]1C(=O)[O-]	ZINC000662206032	412025959	/nfs/dbraw/zinc/02/59/59/412025959.db2.gz	VPDGSRNNOVYTTF-LURJTMIESA-N	-1	2	203.194	-0.754	20	0		BBADLM
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Cc1n[nH]c(C(=O)NCc2n[nH]c(=O)[nH]2)c1[O-]	ZINC000676630874	487883492	/nfs/dbraw/zinc/88/34/92/487883492.db2.gz	FAFFKEFRUSIZAT-UHFFFAOYSA-N	-1	2	238.207	-0.823	20	0		BBADLM
C[NH+](C)CC(=O)N1CCC(c2nn[nH]n2)CC1	ZINC000720610373	712858763	/nfs/dbraw/zinc/85/87/63/712858763.db2.gz	JZWPJVULWMOMOL-UHFFFAOYSA-N	-1	2	238.295	-0.533	20	0		BBADLM
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CC(C)[C@@H](NC(=O)C1=NNC(=O)C1)C(=O)[O-]	ZINC000736359317	584999035	/nfs/dbraw/zinc/99/90/35/584999035.db2.gz	YRWGLTJCSYOMPS-SSDOTTSWSA-N	-1	2	227.220	-0.912	20	0		BBADLM
CC(C)[C@H](NC(=O)C1=NNC(=O)C1)C(=O)[O-]	ZINC000736359323	584999201	/nfs/dbraw/zinc/99/92/01/584999201.db2.gz	YRWGLTJCSYOMPS-ZETCQYMHSA-N	-1	2	227.220	-0.912	20	0		BBADLM
C[C@H](CN(C)C(=O)C1=NNC(=O)C1)C(=O)[O-]	ZINC000736570833	585006399	/nfs/dbraw/zinc/00/63/99/585006399.db2.gz	DEPVZEMEKNYFOA-RXMQYKEDSA-N	-1	2	227.220	-0.959	20	0		BBADLM
C[C@@H](CN(C)C(=O)C1=NNC(=O)C1)C(=O)[O-]	ZINC000736570834	585006215	/nfs/dbraw/zinc/00/62/15/585006215.db2.gz	DEPVZEMEKNYFOA-YFKPBYRVSA-N	-1	2	227.220	-0.959	20	0		BBADLM
CCC[C@](C)(NC(=O)C1=NNC(=O)C1)C(=O)[O-]	ZINC000736954545	585020043	/nfs/dbraw/zinc/02/00/43/585020043.db2.gz	MFXYTIULRVWNST-JTQLQIEISA-N	-1	2	241.247	-0.378	20	0		BBADLM
CCC[C@@](C)(NC(=O)C1=NNC(=O)C1)C(=O)[O-]	ZINC000736954546	585019995	/nfs/dbraw/zinc/01/99/95/585019995.db2.gz	MFXYTIULRVWNST-SNVBAGLBSA-N	-1	2	241.247	-0.378	20	0		BBADLM
CN(CCCC(=O)[O-])C(=O)C1=NNC(=O)C1	ZINC000737433506	585032089	/nfs/dbraw/zinc/03/20/89/585032089.db2.gz	QQLDXAMTOAITHS-UHFFFAOYSA-N	-1	2	227.220	-0.815	20	0		BBADLM
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CONC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739846581	602837342	/nfs/dbraw/zinc/83/73/42/602837342.db2.gz	UJZIIOMSUYNXNB-SSDOTTSWSA-N	-1	2	232.236	-0.177	20	0		BBADLM
CONC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739846583	602837583	/nfs/dbraw/zinc/83/75/83/602837583.db2.gz	UJZIIOMSUYNXNB-ZETCQYMHSA-N	-1	2	232.236	-0.177	20	0		BBADLM
COCCO[N-]C(=O)C1=NNC(C)C1=O	ZINC000749258336	585200871	/nfs/dbraw/zinc/20/08/71/585200871.db2.gz	QMJCVEVRTCCREN-UHFFFAOYSA-N	-1	2	215.209	-0.268	20	0		BBADLM
NC(=O)CO[N-]C(=O)[C@@H](F)C(F)(F)F	ZINC000764649150	585470009	/nfs/dbraw/zinc/47/00/09/585470009.db2.gz	MOMUVNQTALTABU-GSVOUGTGSA-N	-1	2	218.106	-0.580	20	0		BBADLM
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CCONC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000776324016	585695716	/nfs/dbraw/zinc/69/57/16/585695716.db2.gz	VAEXFJNGXWSGIT-UHFFFAOYSA-N	-1	2	218.238	-0.330	20	0		BBADLM
Cc1[nH]nc(C(=O)[N-]N2CCCNC2=O)c1O	ZINC000783600899	585838069	/nfs/dbraw/zinc/83/80/69/585838069.db2.gz	NKUWEEPGYPNCSJ-UHFFFAOYSA-N	-1	2	239.235	-0.516	20	0		BBADLM
Cc1n[nH]c(C(=O)NN2CCCNC2=O)c1[O-]	ZINC000783600899	585838068	/nfs/dbraw/zinc/83/80/68/585838068.db2.gz	NKUWEEPGYPNCSJ-UHFFFAOYSA-N	-1	2	239.235	-0.516	20	0		BBADLM
COCCONC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000790450828	585964955	/nfs/dbraw/zinc/96/49/55/585964955.db2.gz	QFMDBKBTPNELFW-UHFFFAOYSA-N	-1	2	248.264	-0.703	20	0		BBADLM
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C[C@@H]1C[N@H+](CCOC(=O)c2cn[nH]n2)CCO1	ZINC000805603266	585727866	/nfs/dbraw/zinc/72/78/66/585727866.db2.gz	JWTTVERCVMFBNI-MRVPVSSYSA-N	-1	2	240.263	-0.318	20	0		BBADLM
C[C@H]1C[N@H+](CCOC(=O)c2cn[nH]n2)CCO1	ZINC000805603271	585727988	/nfs/dbraw/zinc/72/79/88/585727988.db2.gz	JWTTVERCVMFBNI-QMMMGPOBSA-N	-1	2	240.263	-0.318	20	0		BBADLM
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Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)ns1	ZINC000816730876	586760684	/nfs/dbraw/zinc/76/06/84/586760684.db2.gz	SHKLYHLTCPLVRI-UHFFFAOYSA-N	-1	2	241.232	-0.162	20	0		BBADLM
Cc1cccc(C(=O)Nn2c(=O)[n-][nH]c2=O)n1	ZINC000816731205	586760766	/nfs/dbraw/zinc/76/07/66/586760766.db2.gz	FXVWTWPVFTVIGA-UHFFFAOYSA-N	-1	2	235.203	-0.223	20	0		BBADLM
Cc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)o1	ZINC000816732272	586760722	/nfs/dbraw/zinc/76/07/22/586760722.db2.gz	ZQMQMRSKXVKLTO-UHFFFAOYSA-N	-1	2	224.176	-0.025	20	0		BBADLM
Cc1ncc(C(=O)Nn2c(=O)[n-][nH]c2=O)s1	ZINC000816733002	586760974	/nfs/dbraw/zinc/76/09/74/586760974.db2.gz	FKZDOUCCQLMPBQ-UHFFFAOYSA-N	-1	2	241.232	-0.162	20	0		BBADLM
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Cc1ccoc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816733743	586761308	/nfs/dbraw/zinc/76/13/08/586761308.db2.gz	KCZORHZQSDKPPP-UHFFFAOYSA-N	-1	2	224.176	-0.025	20	0		BBADLM
Cc1ncsc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816733908	586761262	/nfs/dbraw/zinc/76/12/62/586761262.db2.gz	QNNKSKXOYMIMFZ-UHFFFAOYSA-N	-1	2	241.232	-0.162	20	0		BBADLM
Cc1nscc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816734628	586761298	/nfs/dbraw/zinc/76/12/98/586761298.db2.gz	WWCQMOYNSJJPLW-UHFFFAOYSA-N	-1	2	241.232	-0.162	20	0		BBADLM
CC[C@@H](C)CO[N-]C(=O)c1n[nH]c(=O)[nH]c1=O	ZINC000816977627	586776753	/nfs/dbraw/zinc/77/67/53/586776753.db2.gz	DOTWWJRUGIBODT-RXMQYKEDSA-N	-1	2	242.235	-0.010	20	0		BBADLM
CC[C@H](C)CO[N-]C(=O)c1n[nH]c(=O)[nH]c1=O	ZINC000816977628	586777118	/nfs/dbraw/zinc/77/71/18/586777118.db2.gz	DOTWWJRUGIBODT-YFKPBYRVSA-N	-1	2	242.235	-0.010	20	0		BBADLM
CC(C)C[C@@H](NC(=O)C1=NNC(=O)C1)C(=O)[O-]	ZINC000817881387	586831765	/nfs/dbraw/zinc/83/17/65/586831765.db2.gz	DTADXIJHNZCLBR-SSDOTTSWSA-N	-1	2	241.247	-0.522	20	0		BBADLM
C[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000818025589	586865298	/nfs/dbraw/zinc/86/52/98/586865298.db2.gz	NOGWYHVOPWAEQB-DMTCNVIQSA-N	-1	2	245.260	-0.868	20	0		BBADLM
C[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000818025590	586865332	/nfs/dbraw/zinc/86/53/32/586865332.db2.gz	NOGWYHVOPWAEQB-IMJSIDKUSA-N	-1	2	245.260	-0.868	20	0		BBADLM
C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000818025591	586865388	/nfs/dbraw/zinc/86/53/88/586865388.db2.gz	NOGWYHVOPWAEQB-IUYQGCFVSA-N	-1	2	245.260	-0.868	20	0		BBADLM
C[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000818025592	586865257	/nfs/dbraw/zinc/86/52/57/586865257.db2.gz	NOGWYHVOPWAEQB-QWWZWVQMSA-N	-1	2	245.260	-0.868	20	0		BBADLM
CN(CC(=O)[O-])C(=O)C[C@@H]1SC(=N)NC1=O	ZINC000818394913	586890689	/nfs/dbraw/zinc/89/06/89/586890689.db2.gz	WSIKKBMGUBOZGO-BYPYZUCNSA-N	-1	2	245.260	-0.914	20	0		BBADLM
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CC(C)N(CC(=O)[O-])C(=O)C1=NNC(=O)C1	ZINC000819996353	587011809	/nfs/dbraw/zinc/01/18/09/587011809.db2.gz	JVZOTBASFDGJJG-UHFFFAOYSA-N	-1	2	227.220	-0.816	20	0		BBADLM
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CC[C@H](C)[C@H](NC(=O)C1=NNC(=O)C1)C(=O)[O-]	ZINC000820429707	587048517	/nfs/dbraw/zinc/04/85/17/587048517.db2.gz	BIZGHXYYKKLMMS-XNCJUZBTSA-N	-1	2	241.247	-0.522	20	0		BBADLM
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CC(C)(NC(=O)[O-])C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000824025365	587249089	/nfs/dbraw/zinc/24/90/89/587249089.db2.gz	OYBAEOYCEJGTHF-UHFFFAOYSA-N	-1	2	243.223	-0.827	20	0		BBADLM
C[C@@H](CC(=O)NCc1n[nH]c(=O)[nH]1)NC(=O)[O-]	ZINC000824671740	587282119	/nfs/dbraw/zinc/28/21/19/587282119.db2.gz	LCUCQBKHZUFZPE-BYPYZUCNSA-N	-1	2	243.223	-0.827	20	0		BBADLM
C[C@H](CC(=O)NCc1n[nH]c(=O)[nH]1)NC(=O)[O-]	ZINC000824671741	587281880	/nfs/dbraw/zinc/28/18/80/587281880.db2.gz	LCUCQBKHZUFZPE-SCSAIBSYSA-N	-1	2	243.223	-0.827	20	0		BBADLM
CC(C)(CNC(=O)C1=NNC(=O)C1)C(=O)[O-]	ZINC000826553538	587354681	/nfs/dbraw/zinc/35/46/81/587354681.db2.gz	BJGUTXDSYIIMMC-UHFFFAOYSA-N	-1	2	227.220	-0.911	20	0		BBADLM
CCN(CC(=O)NOCCOC)C(=O)[O-]	ZINC000827008972	604085614	/nfs/dbraw/zinc/08/56/14/604085614.db2.gz	ASOCPYOCYJXJAS-UHFFFAOYSA-N	-1	2	220.225	-0.320	20	0		BBADLM
CCN(CC(=O)NCc1n[nH]c(=O)[nH]1)C(=O)[O-]	ZINC000827009425	603953212	/nfs/dbraw/zinc/95/32/12/603953212.db2.gz	JYSRLFXHIOLXME-UHFFFAOYSA-N	-1	2	243.223	-0.874	20	0		BBADLM
CC[C@H](NC(=O)[O-])C(=O)NOCCOC	ZINC000827524736	587385991	/nfs/dbraw/zinc/38/59/91/587385991.db2.gz	PZASYRBTDOIKPK-LURJTMIESA-N	-1	2	220.225	-0.273	20	0		BBADLM
CC[C@H](NC(=O)[O-])C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000827524915	587386152	/nfs/dbraw/zinc/38/61/52/587386152.db2.gz	SWKFIQWHNAKXMG-BYPYZUCNSA-N	-1	2	243.223	-0.827	20	0		BBADLM
C[C@]1(C(=O)[O-])CCN(C(=O)C2=NNC(=O)C2)C1	ZINC000827980874	587415101	/nfs/dbraw/zinc/41/51/01/587415101.db2.gz	PETOUEHIHRTTGC-JTQLQIEISA-N	-1	2	239.231	-0.815	20	0		BBADLM
C[C@@]1(C(=O)[O-])CCN(C(=O)C2=NNC(=O)C2)C1	ZINC000827980875	587414861	/nfs/dbraw/zinc/41/48/61/587414861.db2.gz	PETOUEHIHRTTGC-SNVBAGLBSA-N	-1	2	239.231	-0.815	20	0		BBADLM
COCCONC(=O)CN(C)C(=O)[O-]	ZINC000829007249	587479036	/nfs/dbraw/zinc/47/90/36/587479036.db2.gz	GBNKTJBXKAXVMN-UHFFFAOYSA-N	-1	2	206.198	-0.710	20	0		BBADLM
COCCONC(=O)[C@@H](C)NC(=O)[O-]	ZINC000829008414	587479165	/nfs/dbraw/zinc/47/91/65/587479165.db2.gz	ZWLZJNVKIWEBOO-RXMQYKEDSA-N	-1	2	206.198	-0.663	20	0		BBADLM
COCCONC(=O)[C@H](C)NC(=O)[O-]	ZINC000829008419	587479226	/nfs/dbraw/zinc/47/92/26/587479226.db2.gz	ZWLZJNVKIWEBOO-YFKPBYRVSA-N	-1	2	206.198	-0.663	20	0		BBADLM
CCN(CCC(=O)[O-])C(=O)C1=NNC(=O)C1	ZINC000829697243	587510078	/nfs/dbraw/zinc/51/00/78/587510078.db2.gz	FICFIKXSMHLIJA-UHFFFAOYSA-N	-1	2	227.220	-0.815	20	0		BBADLM
O=C([O-])NCC(=O)NOCC(F)(F)F	ZINC000832397155	587657991	/nfs/dbraw/zinc/65/79/91/587657991.db2.gz	ODHXYAJTBAKGGQ-UHFFFAOYSA-N	-1	2	216.115	-0.136	20	0		BBADLM
O=C([O-])NCCCC(=O)NCc1n[nH]c(=O)[nH]1	ZINC000832607767	587669091	/nfs/dbraw/zinc/66/90/91/587669091.db2.gz	AMDJYVZSWGSAIC-UHFFFAOYSA-N	-1	2	243.223	-0.826	20	0		BBADLM
CO[N-]C(=O)CNC(=O)[C@H](F)C(F)(F)F	ZINC000832753409	587684413	/nfs/dbraw/zinc/68/44/13/587684413.db2.gz	MLOKVEDBGVEALW-BYPYZUCNSA-N	-1	2	232.133	-0.319	20	0		BBADLM
CO[N-]C(=O)CNC(=O)[C@@H](F)C(F)(F)F	ZINC000832753410	587684392	/nfs/dbraw/zinc/68/43/92/587684392.db2.gz	MLOKVEDBGVEALW-SCSAIBSYSA-N	-1	2	232.133	-0.319	20	0		BBADLM
O=C([O-])C[C@@H]1CCCN1C(=O)C1=NNC(=O)C1	ZINC000833208729	587702615	/nfs/dbraw/zinc/70/26/15/587702615.db2.gz	QPJSUTURGGMOSX-LURJTMIESA-N	-1	2	239.231	-0.672	20	0		BBADLM
O=C([O-])C[C@H]1CCCN1C(=O)C1=NNC(=O)C1	ZINC000833208730	587702484	/nfs/dbraw/zinc/70/24/84/587702484.db2.gz	QPJSUTURGGMOSX-ZCFIWIBFSA-N	-1	2	239.231	-0.672	20	0		BBADLM
CC(C)(NC(=O)[O-])C(=O)OCc1n[nH]c(=O)[nH]1	ZINC000833460509	587715796	/nfs/dbraw/zinc/71/57/96/587715796.db2.gz	AJTYVXRCGCSMFI-UHFFFAOYSA-N	-1	2	244.207	-0.400	20	0		BBADLM
O=C([O-])NCC(=O)NOCc1cccnc1	ZINC000833777419	587731539	/nfs/dbraw/zinc/73/15/39/587731539.db2.gz	QDTMUJOTRJFASY-UHFFFAOYSA-N	-1	2	225.204	-0.103	20	0		BBADLM
C[C@@H](CC(=O)OCc1n[nH]c(=O)[nH]1)NC(=O)[O-]	ZINC000833802749	587733131	/nfs/dbraw/zinc/73/31/31/587733131.db2.gz	VOKIASOBAYWKKU-BYPYZUCNSA-N	-1	2	244.207	-0.400	20	0		BBADLM
C[C@H](CC(=O)OCc1n[nH]c(=O)[nH]1)NC(=O)[O-]	ZINC000833802750	587732913	/nfs/dbraw/zinc/73/29/13/587732913.db2.gz	VOKIASOBAYWKKU-SCSAIBSYSA-N	-1	2	244.207	-0.400	20	0		BBADLM
C[C@@H](NC(=O)[O-])C(=O)OCc1n[nH]c(=O)[nH]1	ZINC000833894784	587738428	/nfs/dbraw/zinc/73/84/28/587738428.db2.gz	HEBOQUUGDSVGTA-GSVOUGTGSA-N	-1	2	230.180	-0.790	20	0		BBADLM
O=C([O-])N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC000834109036	587746311	/nfs/dbraw/zinc/74/63/11/587746311.db2.gz	GIKUBPAZJAVBOR-UHFFFAOYSA-N	-1	2	241.251	-0.304	20	0		BBADLM
O=C([O-])N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC000834115250	587746520	/nfs/dbraw/zinc/74/65/20/587746520.db2.gz	AJBJCLRWGGVBFP-UHFFFAOYSA-N	-1	2	227.224	-0.694	20	0		BBADLM
O=C([O-])NC1(C(=O)OCc2n[nH]c(=O)[nH]2)CC1	ZINC000834153385	605956480	/nfs/dbraw/zinc/95/64/80/605956480.db2.gz	CHOLGCPONHRDLT-UHFFFAOYSA-N	-1	2	242.191	-0.646	20	0		BBADLM
O=C([O-])N[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000834182378	605949895	/nfs/dbraw/zinc/94/98/95/605949895.db2.gz	NDIPLZWDHATCTO-LURJTMIESA-N	-1	2	241.251	-0.258	20	0		BBADLM
O=C([O-])N[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000834182378	605949894	/nfs/dbraw/zinc/94/98/94/605949894.db2.gz	NDIPLZWDHATCTO-LURJTMIESA-N	-1	2	241.251	-0.258	20	0		BBADLM
O=C([O-])N[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000834182384	605949825	/nfs/dbraw/zinc/94/98/25/605949825.db2.gz	NDIPLZWDHATCTO-ZCFIWIBFSA-N	-1	2	241.251	-0.258	20	0		BBADLM
O=C([O-])N[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000834182384	605949823	/nfs/dbraw/zinc/94/98/23/605949823.db2.gz	NDIPLZWDHATCTO-ZCFIWIBFSA-N	-1	2	241.251	-0.258	20	0		BBADLM
O=C([O-])NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1	ZINC000834189513	587748486	/nfs/dbraw/zinc/74/84/86/587748486.db2.gz	RKJWIUTUTZQAKR-UHFFFAOYSA-N	-1	2	241.251	-0.258	20	0		BBADLM
O=C([O-])N[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000834190682	587748569	/nfs/dbraw/zinc/74/85/69/587748569.db2.gz	ZDOKOLPWSCRBTH-RXMQYKEDSA-N	-1	2	227.224	-0.648	20	0		BBADLM
O=C([O-])N[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000834190682	587748568	/nfs/dbraw/zinc/74/85/68/587748568.db2.gz	ZDOKOLPWSCRBTH-RXMQYKEDSA-N	-1	2	227.224	-0.648	20	0		BBADLM
O=C([O-])N[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000834190691	587748766	/nfs/dbraw/zinc/74/87/66/587748766.db2.gz	ZDOKOLPWSCRBTH-YFKPBYRVSA-N	-1	2	227.224	-0.648	20	0		BBADLM
O=C([O-])N[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000834190691	587748765	/nfs/dbraw/zinc/74/87/65/587748765.db2.gz	ZDOKOLPWSCRBTH-YFKPBYRVSA-N	-1	2	227.224	-0.648	20	0		BBADLM
O=C([O-])NCCC(=O)OCc1n[nH]c(=O)[nH]1	ZINC000834228671	587749483	/nfs/dbraw/zinc/74/94/83/587749483.db2.gz	NCJROPDUNKXKDP-UHFFFAOYSA-N	-1	2	230.180	-0.789	20	0		BBADLM
O=C([O-])NCCCC(=O)OCc1n[nH]c(=O)[nH]1	ZINC000834230706	587749550	/nfs/dbraw/zinc/74/95/50/587749550.db2.gz	BZSCDGVMCKDQNX-UHFFFAOYSA-N	-1	2	244.207	-0.399	20	0		BBADLM
CC1NN=C(C(=O)[N-]OCC(C)(C)O)C1=O	ZINC000834621234	587761324	/nfs/dbraw/zinc/76/13/24/587761324.db2.gz	AYVWONYCPPQASC-UHFFFAOYSA-N	-1	2	229.236	-0.144	20	0		BBADLM
O=C([O-])CCC[NH2+]N1CCO[C@@H](C(=O)[O-])C1	ZINC000843267005	588096646	/nfs/dbraw/zinc/09/66/46/588096646.db2.gz	RRKKLLCKNXEKFZ-SSDOTTSWSA-N	-1	2	232.236	-0.859	20	0		BBADLM
O=C([O-])CCC[NH2+]N1CCO[C@H](C(=O)[O-])C1	ZINC000843267006	588096379	/nfs/dbraw/zinc/09/63/79/588096379.db2.gz	RRKKLLCKNXEKFZ-ZETCQYMHSA-N	-1	2	232.236	-0.859	20	0		BBADLM
CN(CCC(=O)[O-])[NH2+]CCCC(=O)[O-]	ZINC000843267038	588096452	/nfs/dbraw/zinc/09/64/52/588096452.db2.gz	SNDLKSIPVLFCAL-UHFFFAOYSA-N	-1	2	204.226	-0.238	20	0		BBADLM
CCCO[N-]C(=O)c1n[nH]c(=O)[nH]c1=O	ZINC000844085258	588163879	/nfs/dbraw/zinc/16/38/79/588163879.db2.gz	KSMITEDDRULBFU-UHFFFAOYSA-N	-1	2	214.181	-0.646	20	0		BBADLM
COCCONC(=O)C1(C(=O)[O-])CC1	ZINC000844253816	588177455	/nfs/dbraw/zinc/17/74/55/588177455.db2.gz	IOLAVEHNYQFDNU-UHFFFAOYSA-N	-1	2	203.194	-0.455	20	0		BBADLM
COCCONC(=O)C(C)(C)C(=O)[O-]	ZINC000844253880	588177541	/nfs/dbraw/zinc/17/75/41/588177541.db2.gz	JNNLYQWOCLWOJB-UHFFFAOYSA-N	-1	2	205.210	-0.209	20	0		BBADLM
CCONC(=O)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC000846493543	588268527	/nfs/dbraw/zinc/26/85/27/588268527.db2.gz	AODRGSQJJHUQFT-UHFFFAOYSA-N	-1	2	242.235	-0.779	20	0		BBADLM
CCO[N-]C(=O)CNC(=O)C(F)(F)F	ZINC000846495736	588268369	/nfs/dbraw/zinc/26/83/69/588268369.db2.gz	DDPGIWOHSNCEKF-UHFFFAOYSA-N	-1	2	214.143	-0.267	20	0		BBADLM
C[C@@H](CN[NH2+]CCCC(=O)[O-])C(=O)[O-]	ZINC000846757572	588286324	/nfs/dbraw/zinc/28/63/24/588286324.db2.gz	FDILXGCYLHNVEX-LURJTMIESA-N	-1	2	204.226	-0.334	20	0		BBADLM
C[C@H](CN[NH2+]CCCC(=O)[O-])C(=O)[O-]	ZINC000846757573	588286345	/nfs/dbraw/zinc/28/63/45/588286345.db2.gz	FDILXGCYLHNVEX-ZCFIWIBFSA-N	-1	2	204.226	-0.334	20	0		BBADLM
COCCONC(=O)C1(C(=O)[O-])CCC1	ZINC000852952132	588714288	/nfs/dbraw/zinc/71/42/88/588714288.db2.gz	KACRHAJPHVLXAV-UHFFFAOYSA-N	-1	2	217.221	-0.065	20	0		BBADLM
Cc1noc(C)c1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000854610824	588797105	/nfs/dbraw/zinc/79/71/05/588797105.db2.gz	OEIQKNLBBGLAEA-UHFFFAOYSA-N	-1	2	239.191	-0.322	20	0		BBADLM
CCc1nocc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000854611918	588797375	/nfs/dbraw/zinc/79/73/75/588797375.db2.gz	GXHAUVDZCIEHHA-UHFFFAOYSA-N	-1	2	239.191	-0.376	20	0		BBADLM
CCn1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)n1	ZINC000854612443	588797265	/nfs/dbraw/zinc/79/72/65/588797265.db2.gz	NASLXEHUGUWKKI-UHFFFAOYSA-N	-1	2	238.207	-0.710	20	0		BBADLM
O=C([N-]OCC1CCC1)c1n[nH]c(=O)[nH]c1=O	ZINC000856348780	588869317	/nfs/dbraw/zinc/86/93/17/588869317.db2.gz	OSFFTFQCVFCKHH-UHFFFAOYSA-N	-1	2	240.219	-0.256	20	0		BBADLM
Cc1[nH]nc(C(=O)[N-]N2CCOC2=O)c1O	ZINC000862702017	589234475	/nfs/dbraw/zinc/23/44/75/589234475.db2.gz	TXNYRYGKIAWWBL-UHFFFAOYSA-N	-1	2	226.192	-0.479	20	0		BBADLM
Cc1n[nH]c(C(=O)NN2CCOC2=O)c1[O-]	ZINC000862702017	589234473	/nfs/dbraw/zinc/23/44/73/589234473.db2.gz	TXNYRYGKIAWWBL-UHFFFAOYSA-N	-1	2	226.192	-0.479	20	0		BBADLM
O=C([O-])CCC[NH2+]N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000864345272	589353821	/nfs/dbraw/zinc/35/38/21/589353821.db2.gz	RXEVNXCHXUTQIV-KNVOCYPGSA-N	-1	2	216.237	-0.191	20	0		BBADLM
O=C([O-])CCC[NH2+]N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000871597593	589771385	/nfs/dbraw/zinc/77/13/85/589771385.db2.gz	RXEVNXCHXUTQIV-LJGSYFOKSA-N	-1	2	216.237	-0.191	20	0		BBADLM
C[C@H](CN(C)C(=O)CCc1cnn[nH]1)C(=O)[O-]	ZINC000901646260	584475347	/nfs/dbraw/zinc/47/53/47/584475347.db2.gz	FWNJLAWNASPMHX-SSDOTTSWSA-N	-1	2	240.263	-0.084	20	0		BBADLM
C[C@@H](CN(C)C(=O)CCc1cnn[nH]1)C(=O)[O-]	ZINC000901646261	584475084	/nfs/dbraw/zinc/47/50/84/584475084.db2.gz	FWNJLAWNASPMHX-ZETCQYMHSA-N	-1	2	240.263	-0.084	20	0		BBADLM
CCONC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC000901981973	584512044	/nfs/dbraw/zinc/51/20/44/584512044.db2.gz	LSUCAYAJTKXJBA-UHFFFAOYSA-N	-1	2	240.215	-0.386	20	0		BBADLM
CC1(C(=O)[O-])CN(C(=O)CCc2cnn[nH]2)C1	ZINC000910061118	639359782	/nfs/dbraw/zinc/35/97/82/639359782.db2.gz	OKGHWILYPABIKH-UHFFFAOYSA-N	-1	2	238.247	-0.330	20	0		BBADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOCCO	ZINC000911803933	639826080	/nfs/dbraw/zinc/82/60/80/639826080.db2.gz	ADACVEQVFHPPEF-LURJTMIESA-N	-1	2	205.210	-0.617	20	0		BBADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOCCO	ZINC000911803934	639826261	/nfs/dbraw/zinc/82/62/61/639826261.db2.gz	ADACVEQVFHPPEF-ZCFIWIBFSA-N	-1	2	205.210	-0.617	20	0		BBADLM
CC(C)(O)CONC(=O)C(C)(C)C(=O)[O-]	ZINC000911807518	639829338	/nfs/dbraw/zinc/82/93/38/639829338.db2.gz	MPMIBSMLTOGUQC-UHFFFAOYSA-N	-1	2	219.237	-0.084	20	0		BBADLM
CC[C@H](C(=O)[O-])C(=O)NOC(C)(C)CO	ZINC000911812630	639833854	/nfs/dbraw/zinc/83/38/54/639833854.db2.gz	JJAPKXNEGQANLD-LURJTMIESA-N	-1	2	219.237	-0.084	20	0		BBADLM
CC[C@@H](C(=O)[O-])C(=O)NOC(C)(C)CO	ZINC000911812631	639834656	/nfs/dbraw/zinc/83/46/56/639834656.db2.gz	JJAPKXNEGQANLD-ZCFIWIBFSA-N	-1	2	219.237	-0.084	20	0		BBADLM
CC(C)(CO)ONC(=O)C(C)(C)C(=O)[O-]	ZINC000911814313	639803053	/nfs/dbraw/zinc/80/30/53/639803053.db2.gz	PXTMKJOPPFZQHF-UHFFFAOYSA-N	-1	2	219.237	-0.084	20	0		BBADLM
Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCOCCO)C2	ZINC000931311514	634327278	/nfs/dbraw/zinc/32/72/78/634327278.db2.gz	IYLHDTZVMZAWFC-UHFFFAOYSA-N	-1	2	239.275	-0.185	20	0		BBADLM