smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC1(CC)CCC(/N=C(/[O-])c2cnc([O-])n(C)c2=O)CC1	ZINC000331083313	427340913	/nfs/dbraw/zinc/34/09/13/427340913.db2.gz	YONMCZFFXIHSBO-UHFFFAOYSA-N	-2	0	307.394	2.540	20	30		DFEDRL
CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000436649506	429201853	/nfs/dbraw/zinc/20/18/53/429201853.db2.gz	WVBVDZHRBXUNCU-UHFFFAOYSA-N	-2	0	310.309	2.814	20	30		DFEDRL
CC(=Cc1cc(C(=O)[O-])c(C)cc1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000530475908	301050251	/nfs/dbraw/zinc/05/02/51/301050251.db2.gz	ZGNGHRQRBBRWCA-WDZFZDKYSA-N	-2	0	323.352	2.826	20	30		DFEDRL
CCC[C@H](/N=C(/[O-])c1cnc([O-])n(C)c1=O)C1CCCCC1	ZINC000331238336	334849674	/nfs/dbraw/zinc/84/96/74/334849674.db2.gz	LJDRPLNSIOZJJS-ZDUSSCGKSA-N	-2	0	307.394	2.540	20	30		DFEDRL
O=C([O-])N[C@H]1CCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000834169242	605857033	/nfs/dbraw/zinc/85/70/33/605857033.db2.gz	LORQEYXIZQNWMR-JTQLQIEISA-N	-2	0	311.725	2.626	20	30		DFEDRL
O=C([O-])C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000739626879	600495022	/nfs/dbraw/zinc/49/50/22/600495022.db2.gz	VRVBBTCEVXEGHY-XGHPXPSOSA-N	-2	0	314.297	2.935	20	30		DFEDRL
CC(=Cc1cc(C(=O)[O-])c(C)cc1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000530475907	301050307	/nfs/dbraw/zinc/05/03/07/301050307.db2.gz	ZGNGHRQRBBRWCA-IZZDOVSWSA-N	-2	0	323.352	2.826	20	30		DFEDRL
CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-]	ZINC000514792480	337971650	/nfs/dbraw/zinc/97/16/50/337971650.db2.gz	LZKAHSUKFXNCLS-UHFFFAOYSA-N	-2	0	320.773	2.866	20	30		DFEDRL
N#Cc1ccc([O-])c(NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1	ZINC000831137208	603949625	/nfs/dbraw/zinc/94/96/25/603949625.db2.gz	SKYUCCJMVVLWSV-UHFFFAOYSA-N	-2	0	311.297	2.535	20	30		DFEDRL
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1NC(=O)[O-]	ZINC000829961254	605324522	/nfs/dbraw/zinc/32/45/22/605324522.db2.gz	DZSQOPBMQVYXFG-UHFFFAOYSA-N	-2	0	311.297	2.915	20	30		DFEDRL
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1ccc(C(=O)[O-])cc1	ZINC000824759709	605457232	/nfs/dbraw/zinc/45/72/32/605457232.db2.gz	OORLBIAKTIGFGX-CYBMUJFWSA-N	-2	0	305.334	2.705	20	30		DFEDRL
N#Cc1ccc([O-])c(NC(=O)Cc2cccc(NC(=O)[O-])c2)c1	ZINC000833977389	605834975	/nfs/dbraw/zinc/83/49/75/605834975.db2.gz	NGPCVYQGPMOBDV-UHFFFAOYSA-N	-2	0	311.297	2.535	20	30		DFEDRL
C=C(C)CS(=O)(=O)Nc1cc(C)cc(Br)c1O	ZINC000290575494	335076019	/nfs/dbraw/zinc/07/60/19/335076019.db2.gz	UWZMXYHTWRWAHV-UHFFFAOYSA-N	-2	0	320.208	2.781	20	30		DFEDRL
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)CC2	ZINC000832852643	601792295	/nfs/dbraw/zinc/79/22/95/601792295.db2.gz	DJWLXNONKDIFCM-RUDMXATFSA-N	-2	0	315.281	2.525	20	30		DFEDRL
O=C([O-])c1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c[nH]1	ZINC000814690075	601794766	/nfs/dbraw/zinc/79/47/66/601794766.db2.gz	SMGURDDVRKLHIO-UHFFFAOYSA-N	-2	0	307.693	2.511	20	30		DFEDRL
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1NC(=O)[O-]	ZINC000830230743	603949812	/nfs/dbraw/zinc/94/98/12/603949812.db2.gz	OWRGMNOEPIDFQF-UHFFFAOYSA-N	-2	0	311.297	2.915	20	30		DFEDRL
O=C([O-])c1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000833309677	604628092	/nfs/dbraw/zinc/62/80/92/604628092.db2.gz	DXGPMKWWCKFLTN-LREOWRDNSA-N	-2	0	313.265	2.895	20	30		DFEDRL
O=C([O-])c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000833309999	604630379	/nfs/dbraw/zinc/63/03/79/604630379.db2.gz	KYEKNWBPBOCDKL-WAPJZHGLSA-N	-2	0	313.265	2.895	20	30		DFEDRL
Cc1[nH]c(C(=O)[O-])c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000832846294	604881341	/nfs/dbraw/zinc/88/13/41/604881341.db2.gz	LZUFQDNLZYVROG-JTQLQIEISA-N	-2	0	323.308	2.961	20	30		DFEDRL
O=C([O-])c1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000833309584	604772969	/nfs/dbraw/zinc/77/29/69/604772969.db2.gz	CFEGSKMODBNERL-YVMONPNESA-N	-2	0	313.265	2.895	20	30		DFEDRL
N#Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)[O-])cc1[O-])CC2	ZINC000833977070	605381096	/nfs/dbraw/zinc/38/10/96/605381096.db2.gz	NMDYUSWWBQVENV-UHFFFAOYSA-N	-2	0	323.308	2.557	20	30		DFEDRL
O=C([O-])Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1	ZINC000774120724	598201626	/nfs/dbraw/zinc/20/16/26/598201626.db2.gz	VWDGAWRKZQAEFO-TWGQIWQCSA-N	-2	0	310.305	2.908	20	30		DFEDRL
O=C([O-])c1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000819666917	597166057	/nfs/dbraw/zinc/16/60/57/597166057.db2.gz	ZFJLHCCKYVVXCG-CXUHLZMHSA-N	-2	0	300.270	2.618	20	30		DFEDRL
CCC(=O)c1ccc([O-])c(NC(=O)c2cc([O-])cc(C#N)c2)c1	ZINC000643305140	430579250	/nfs/dbraw/zinc/57/92/50/430579250.db2.gz	DZLSISFBVYTNKS-UHFFFAOYSA-N	-2	0	310.309	2.814	20	30		DFEDRL
O=C([O-])c1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)[nH]1	ZINC000749806941	601335228	/nfs/dbraw/zinc/33/52/28/601335228.db2.gz	IMRSFQAGBVLTMQ-UHFFFAOYSA-N	-2	0	307.693	2.511	20	30		DFEDRL
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814890157	605026018	/nfs/dbraw/zinc/02/60/18/605026018.db2.gz	IVGCDOFRBOLEGT-JTQLQIEISA-N	-2	0	307.350	2.849	20	30		DFEDRL
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1ccc(C(=O)[O-])cc1	ZINC000824759710	605457082	/nfs/dbraw/zinc/45/70/82/605457082.db2.gz	OORLBIAKTIGFGX-ZDUSSCGKSA-N	-2	0	305.334	2.705	20	30		DFEDRL
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000819846381	597670989	/nfs/dbraw/zinc/67/09/89/597670989.db2.gz	BWQPMWYGLWSUAB-GFCCVEGCSA-N	-2	0	317.128	2.642	20	30		DFEDRL
O=C([O-])NCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000739980856	600274336	/nfs/dbraw/zinc/27/43/36/600274336.db2.gz	MMWSGVKCMGGQLM-UHFFFAOYSA-N	-2	0	315.285	2.819	20	30		DFEDRL
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-]	ZINC000416965864	428832464	/nfs/dbraw/zinc/83/24/64/428832464.db2.gz	YBYRHIHQISUZBQ-SSDOTTSWSA-N	-2	0	309.174	2.743	20	30		DFEDRL
CC(=NNc1ccccc1C(=O)[O-])c1cc(C(=O)[O-])ccc1O	ZINC000757460426	605097879	/nfs/dbraw/zinc/09/78/79/605097879.db2.gz	VIVYEJWTUQEXHT-UHFFFAOYSA-N	-2	0	314.297	2.625	20	30		DFEDRL
Cc1cc(N=C([O-])CC/C([O-])=N/C2CCCC2)cn(C)c1=O	ZINC000328879777	334762988	/nfs/dbraw/zinc/76/29/88/334762988.db2.gz	VJUFGASOQKVMTD-UHFFFAOYSA-N	-2	0	305.378	2.961	20	30		DFEDRL
O=C([O-])NC[C@@H]1CCCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000740631003	603370708	/nfs/dbraw/zinc/37/07/08/603370708.db2.gz	WASLGYYWEMLGPX-SYPKWDICSA-N	-2	0	321.333	2.546	20	30		DFEDRL
N#Cc1ccc([O-])c(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1	ZINC000831137020	603949687	/nfs/dbraw/zinc/94/96/87/603949687.db2.gz	PHLAMSXJUCJKDB-UHFFFAOYSA-N	-2	0	315.260	2.745	20	30		DFEDRL
Cc1[nH]c(C(=O)[O-])c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000832846296	604881283	/nfs/dbraw/zinc/88/12/83/604881283.db2.gz	LZUFQDNLZYVROG-SNVBAGLBSA-N	-2	0	323.308	2.961	20	30		DFEDRL
N#Cc1ccc([O-])c(NC(=O)Cc2ccccc2NC(=O)[O-])c1	ZINC000833977863	606097274	/nfs/dbraw/zinc/09/72/74/606097274.db2.gz	SUUOWZPUASEZGO-UHFFFAOYSA-N	-2	0	311.297	2.535	20	30		DFEDRL
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000819848913	597670768	/nfs/dbraw/zinc/67/07/68/597670768.db2.gz	VLFSRRFICVBQGF-LBPRGKRZSA-N	-2	0	317.128	2.642	20	30		DFEDRL
O=C([O-])NC[C@@H]1CCCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000740630999	603370816	/nfs/dbraw/zinc/37/08/16/603370816.db2.gz	WASLGYYWEMLGPX-AGWWPDGZSA-N	-2	0	321.333	2.546	20	30		DFEDRL
O=C([O-])c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000833309997	604630533	/nfs/dbraw/zinc/63/05/33/604630533.db2.gz	KYEKNWBPBOCDKL-KRXBUXKQSA-N	-2	0	313.265	2.895	20	30		DFEDRL
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@H](C)CCCCC(=O)[O-]	ZINC000814890158	605025907	/nfs/dbraw/zinc/02/59/07/605025907.db2.gz	IVGCDOFRBOLEGT-SNVBAGLBSA-N	-2	0	307.350	2.849	20	30		DFEDRL
O=C([O-])N1CC(C/N=C/c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000834068318	605721227	/nfs/dbraw/zinc/72/12/27/605721227.db2.gz	TXEWVKMTWGJOCP-SYZQJQIISA-N	-2	0	303.145	2.728	20	30		DFEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(C(=O)[O-])cs1	ZINC000445549011	268207642	/nfs/dbraw/zinc/20/76/42/268207642.db2.gz	KXPZBKBIKYRZAK-DUXPYHPUSA-N	-2	0	300.295	2.582	20	30		DFEDRL
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)CC2	ZINC000832852724	601331552	/nfs/dbraw/zinc/33/15/52/601331552.db2.gz	HTBKMSYLTVRFGG-SOFGYWHQSA-N	-2	0	315.281	2.525	20	30		DFEDRL
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)CC2	ZINC000832852725	601331734	/nfs/dbraw/zinc/33/17/34/601331734.db2.gz	HTBKMSYLTVRFGG-VURMDHGXSA-N	-2	0	315.281	2.525	20	30		DFEDRL
CC(N=Nc1ccccc1C(=O)[O-])c1ccc(CC(=O)[O-])cc1	ZINC000833387005	605101105	/nfs/dbraw/zinc/10/11/05/605101105.db2.gz	JAZDBIFBUINUJC-UHFFFAOYSA-N	-2	0	312.325	2.848	20	30		DFEDRL
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1cccc(C(=O)[O-])c1	ZINC000824759080	605456874	/nfs/dbraw/zinc/45/68/74/605456874.db2.gz	HOBIYLFFRRPWQA-CYBMUJFWSA-N	-2	0	305.334	2.705	20	30		DFEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(C(=O)[O-])cs1	ZINC000445549016	268207466	/nfs/dbraw/zinc/20/74/66/268207466.db2.gz	KXPZBKBIKYRZAK-RQOWECAXSA-N	-2	0	300.295	2.582	20	30		DFEDRL
CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCC(C)(C)C#N)c1	ZINC000572164900	337594516	/nfs/dbraw/zinc/59/45/16/337594516.db2.gz	CWWNAJBKNYVHLA-UHFFFAOYSA-N	-2	0	324.402	2.666	20	30		DFEDRL
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000819846382	597670759	/nfs/dbraw/zinc/67/07/59/597670759.db2.gz	BWQPMWYGLWSUAB-LBPRGKRZSA-N	-2	0	317.128	2.642	20	30		DFEDRL
O=C([O-])Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1	ZINC000774120719	598201652	/nfs/dbraw/zinc/20/16/52/598201652.db2.gz	VWDGAWRKZQAEFO-RMKNXTFCSA-N	-2	0	310.305	2.908	20	30		DFEDRL
CC(=NNc1ccccc1C(=O)[O-])c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758099570	605097248	/nfs/dbraw/zinc/09/72/48/605097248.db2.gz	LEYBDIUQIRNLMH-UHFFFAOYSA-N	-2	0	315.285	2.835	20	30		DFEDRL
CCC[C@@H](/N=C(/[O-])c1cnc([O-])n(C)c1=O)C1CCCCC1	ZINC000331238335	427377142	/nfs/dbraw/zinc/37/71/42/427377142.db2.gz	LJDRPLNSIOZJJS-CYBMUJFWSA-N	-2	0	307.394	2.540	20	30		DFEDRL
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)CC2	ZINC000832852644	601792187	/nfs/dbraw/zinc/79/21/87/601792187.db2.gz	DJWLXNONKDIFCM-WTKPLQERSA-N	-2	0	315.281	2.525	20	30		DFEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(F)c([O-])c(F)c1	ZINC000436772821	268207731	/nfs/dbraw/zinc/20/77/31/268207731.db2.gz	MQMBCBZOAPMWPP-HNQUOIGGSA-N	-2	0	302.236	2.806	20	30		DFEDRL
O=C([O-])CSCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000739857483	599884039	/nfs/dbraw/zinc/88/40/39/599884039.db2.gz	KOZKBCBSXMHVFG-LHHJGKSTSA-N	-2	0	308.186	2.936	20	30		DFEDRL
O=C([O-])c1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1	ZINC000757475156	601825572	/nfs/dbraw/zinc/82/55/72/601825572.db2.gz	YYBYYEJGJHZAKD-CLTKARDFSA-N	-3	0	312.277	2.685	20	30		DFEDRL
O=C([O-])c1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000833328735	601845426	/nfs/dbraw/zinc/84/54/26/601845426.db2.gz	JAFFPXRKIWQRMI-CXUHLZMHSA-N	-2	0	300.270	2.618	20	30		DFEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(F)c([O-])c(F)c1	ZINC000436772827	268207709	/nfs/dbraw/zinc/20/77/09/268207709.db2.gz	MQMBCBZOAPMWPP-IWQZZHSRSA-N	-2	0	302.236	2.806	20	30		DFEDRL
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-]	ZINC000416965865	334687608	/nfs/dbraw/zinc/68/76/08/334687608.db2.gz	YBYRHIHQISUZBQ-ZETCQYMHSA-N	-2	0	309.174	2.743	20	30		DFEDRL
CC(C)(C#N)CCS(=O)(=O)[N-]c1cccc(Cl)c1[O-]	ZINC000549718866	341301280	/nfs/dbraw/zinc/30/12/80/341301280.db2.gz	FKGSKTSEEUIAFD-UHFFFAOYSA-N	-2	0	302.783	2.727	20	30		DFEDRL
O=C([O-])Cc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000819586014	601365395	/nfs/dbraw/zinc/36/53/95/601365395.db2.gz	SMCQIFPKFTXMSX-UHFFFAOYSA-N	-2	0	300.270	2.678	20	30		DFEDRL
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000819848911	597671024	/nfs/dbraw/zinc/67/10/24/597671024.db2.gz	VLFSRRFICVBQGF-GFCCVEGCSA-N	-2	0	317.128	2.642	20	30		DFEDRL
O=C([O-])C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000739626871	600494760	/nfs/dbraw/zinc/49/47/60/600494760.db2.gz	VRVBBTCEVXEGHY-FBJMNJBLSA-N	-2	0	314.297	2.935	20	30		DFEDRL
O=C([O-])NC[C@@H]1CCCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000740631000	603370532	/nfs/dbraw/zinc/37/05/32/603370532.db2.gz	WASLGYYWEMLGPX-BGBBQRGNSA-N	-2	0	321.333	2.546	20	30		DFEDRL
O=C([O-])NC[C@@H]1CCCC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000740631001	603370666	/nfs/dbraw/zinc/37/06/66/603370666.db2.gz	WASLGYYWEMLGPX-HMTMDPJUSA-N	-2	0	321.333	2.546	20	30		DFEDRL
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1cccc(C(=O)[O-])c1	ZINC000824759081	605457342	/nfs/dbraw/zinc/45/73/42/605457342.db2.gz	HOBIYLFFRRPWQA-ZDUSSCGKSA-N	-2	0	305.334	2.705	20	30		DFEDRL
O=C([O-])N[C@@H]1CCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000834169245	605857046	/nfs/dbraw/zinc/85/70/46/605857046.db2.gz	LORQEYXIZQNWMR-SNVBAGLBSA-N	-2	0	311.725	2.626	20	30		DFEDRL
O=C([O-])C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000739626875	600494915	/nfs/dbraw/zinc/49/49/15/600494915.db2.gz	VRVBBTCEVXEGHY-NGWPFTMJSA-N	-2	0	314.297	2.935	20	30		DFEDRL
O=C([O-])c1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000833309582	604773054	/nfs/dbraw/zinc/77/30/54/604773054.db2.gz	CFEGSKMODBNERL-VMPITWQZSA-N	-2	0	313.265	2.895	20	30		DFEDRL
CC(=NNc1ccccc1C(=O)[O-])c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749612890	605097566	/nfs/dbraw/zinc/09/75/66/605097566.db2.gz	TWUMPGOYXBFDRR-UHFFFAOYSA-N	-2	0	315.285	2.835	20	30		DFEDRL
CC(=NNc1cccc(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758090223	605593474	/nfs/dbraw/zinc/59/34/74/605593474.db2.gz	OCVBRRCKUWYZAR-UHFFFAOYSA-N	-2	0	315.285	2.835	20	30		DFEDRL
O=C([O-])C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000739626861	600494939	/nfs/dbraw/zinc/49/49/39/600494939.db2.gz	VRVBBTCEVXEGHY-AYCSXLNKSA-N	-2	0	314.297	2.935	20	30		DFEDRL
O=C([O-])c1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000833309678	604628057	/nfs/dbraw/zinc/62/80/57/604628057.db2.gz	DXGPMKWWCKFLTN-XFSBKJJWSA-N	-2	0	313.265	2.895	20	30		DFEDRL
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749602993	605591619	/nfs/dbraw/zinc/59/16/19/605591619.db2.gz	DSHZRURUISTJJM-UHFFFAOYSA-N	-2	0	315.285	2.835	20	30		DFEDRL