smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S	ZINC000005372258	204206382	/nfs/dbraw/zinc/20/63/82/204206382.db2.gz	DJGHCEWGIDTVEY-ADVGAGMGSA-N	-1	0	363.504	4.094	40	10		FICBRM
Cc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)s1	ZINC000096193271	205847763	/nfs/dbraw/zinc/84/77/63/205847763.db2.gz	LGWOICPHWRMERM-JYRVWZFOSA-N	-1	0	360.822	4.214	40	10		FICBRM
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004151417	206170059	/nfs/dbraw/zinc/17/00/59/206170059.db2.gz	FUCGARSSSYZRAC-QMTMVMCOSA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000005740253	206197738	/nfs/dbraw/zinc/19/77/38/206197738.db2.gz	FUCGARSSSYZRAC-ZRGWGRIASA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-]	ZINC000408526599	570507963	/nfs/dbraw/zinc/50/79/63/570507963.db2.gz	CQEFVQPSFHDXCI-UVTDQMKNSA-N	-1	0	370.796	4.275	40	10		FICBRM
COc1ccccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000104370002	570521618	/nfs/dbraw/zinc/52/16/18/570521618.db2.gz	JRLHFEXLBNGRJO-HNENSFHCSA-N	-1	0	358.375	4.216	40	10		FICBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000409163561	570734158	/nfs/dbraw/zinc/73/41/58/570734158.db2.gz	UBYYSLONYKTYSY-ZRGWGRIASA-N	-1	0	350.374	4.428	40	10		FICBRM
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409157681	570734185	/nfs/dbraw/zinc/73/41/85/570734185.db2.gz	VNRDLACUBIICSX-FMTVUPSXSA-N	-1	0	366.373	4.128	40	10		FICBRM
Cc1ccc(N2C(=O)C(=Cc3cccn3C(C)(C)C)C(=O)[N-]C2=S)cc1	ZINC000032116813	571056868	/nfs/dbraw/zinc/05/68/68/571056868.db2.gz	WYUDOHCMUUVHLV-VBKFSLOCSA-N	-1	0	367.474	4.223	40	10		FICBRM
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000248334158	571291325	/nfs/dbraw/zinc/29/13/25/571291325.db2.gz	LEJHZAUUTZQFBN-GPMSIDNRSA-N	-1	0	350.374	4.428	40	10		FICBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000005371864	204205772	/nfs/dbraw/zinc/20/57/72/204205772.db2.gz	SGRIRVMJRDBCOG-VWLVURMCSA-N	-1	0	369.895	4.185	40	10		FICBRM
Cc1ccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1C(=O)[O-]	ZINC000005374137	204205802	/nfs/dbraw/zinc/20/58/02/204205802.db2.gz	KFIATISKLVBBLX-NVNXTCNLSA-N	-1	0	373.430	4.238	40	10		FICBRM
Cc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000005373436	204205948	/nfs/dbraw/zinc/20/59/48/204205948.db2.gz	XLZODVCJINYNHZ-UVQBRAAOSA-N	-1	0	369.467	4.022	40	10		FICBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000100244942	206221649	/nfs/dbraw/zinc/22/16/49/206221649.db2.gz	DQQZSKXVLOLAOF-AMGRQBIBSA-N	-1	0	357.757	4.123	40	10		FICBRM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000100041048	570498646	/nfs/dbraw/zinc/49/86/46/570498646.db2.gz	RSKVVGQEANOEQO-XNTDXEJSSA-N	-1	0	370.796	4.275	40	10		FICBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc([N+](=O)[O-])cc1	ZINC000104366672	570521284	/nfs/dbraw/zinc/52/12/84/570521284.db2.gz	IDBIKCCABJSIGQ-ZCXUNETKSA-N	-1	0	373.346	4.116	40	10		FICBRM
COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)[O-])N2	ZINC000409169231	570735096	/nfs/dbraw/zinc/73/50/96/570735096.db2.gz	OXCRDQVTOYDOEO-LAPQFRIASA-N	-1	0	363.413	4.306	40	10		FICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)c(O)c(C)c3)C2=O)cc1C	ZINC000038181800	570995090	/nfs/dbraw/zinc/99/50/90/570995090.db2.gz	OPJSGSPIIOTRRN-LICLKQGHSA-N	-1	0	364.401	4.133	40	10		FICBRM
COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000248339948	571291333	/nfs/dbraw/zinc/29/13/33/571291333.db2.gz	UGGMMYKPZAMSMV-FUHIMQAGSA-N	-1	0	363.413	4.306	40	10		FICBRM
O=C([O-])CCCCCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S	ZINC000006060397	204236179	/nfs/dbraw/zinc/23/61/79/204236179.db2.gz	BBSQLRKBOCURJB-BCUQMESKSA-N	-1	0	361.488	4.089	40	10		FICBRM
COc1ccccc1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21	ZINC000104366757	206000009	/nfs/dbraw/zinc/00/00/09/206000009.db2.gz	OGVCCTILSULQBR-HNENSFHCSA-N	-1	0	358.375	4.216	40	10		FICBRM
COC(=O)c1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000408860222	570693358	/nfs/dbraw/zinc/69/33/58/570693358.db2.gz	WVUFQBWMZIADTF-UWVAXJGDSA-N	-1	0	363.413	4.306	40	10		FICBRM
COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)[O-])N2	ZINC000409169226	570735178	/nfs/dbraw/zinc/73/51/78/570735178.db2.gz	OXCRDQVTOYDOEO-ARGWCVDVSA-N	-1	0	363.413	4.306	40	10		FICBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2CCOCC(F)(F)F)cc1	ZINC000409370297	570753675	/nfs/dbraw/zinc/75/36/75/570753675.db2.gz	OIOITLYRLBRYHI-UHFFFAOYSA-N	-1	0	355.356	4.060	40	10		FICBRM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000005374184	204205716	/nfs/dbraw/zinc/20/57/16/204205716.db2.gz	WCQJVVFITSEHIG-ATRXRJDZSA-N	-1	0	369.895	4.041	40	10		FICBRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2ccccc2F)SC1=S	ZINC000005371763	204206096	/nfs/dbraw/zinc/20/60/96/204206096.db2.gz	BWIOFRDUQSMQFS-DHDCSXOGSA-N	-1	0	373.430	4.238	40	10		FICBRM
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000096006229	570472149	/nfs/dbraw/zinc/47/21/49/570472149.db2.gz	IVIBYCHONCKDIH-RKVPGOIHSA-N	-1	0	366.373	4.128	40	10		FICBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccccc2)o1	ZINC000083324766	571100790	/nfs/dbraw/zinc/10/07/90/571100790.db2.gz	RPAYBYZZDIKVDM-GHRIWEEISA-N	-1	0	358.353	4.453	40	10		FICBRM
COc1ccccc1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21	ZINC000004804142	204163875	/nfs/dbraw/zinc/16/38/75/204163875.db2.gz	OGVCCTILSULQBR-VHEBQXMUSA-N	-1	0	358.375	4.216	40	10		FICBRM
COc1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-]	ZINC000004959443	204181158	/nfs/dbraw/zinc/18/11/58/204181158.db2.gz	VGJSJDNAZISIOH-CKFHNAJUSA-N	-1	0	366.373	4.128	40	10		FICBRM
COc1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-]	ZINC000004959442	204181331	/nfs/dbraw/zinc/18/13/31/204181331.db2.gz	VGJSJDNAZISIOH-IQUTYRLHSA-N	-1	0	366.373	4.128	40	10		FICBRM
CC(C)c1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1	ZINC000005214134	204198971	/nfs/dbraw/zinc/19/89/71/204198971.db2.gz	AOVDPGXWUKRLQT-KQGZCTBQSA-N	-1	0	363.504	4.120	40	10		FICBRM
CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140434	206235391	/nfs/dbraw/zinc/23/53/91/206235391.db2.gz	OAAIBDPWPXBPSC-ZWOKBUDYSA-N	-1	0	363.413	4.388	40	10		FICBRM
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000005394224	206239509	/nfs/dbraw/zinc/23/95/09/206239509.db2.gz	LEJHZAUUTZQFBN-FRQCXROJSA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000005394223	206239701	/nfs/dbraw/zinc/23/97/01/206239701.db2.gz	LEJHZAUUTZQFBN-TXPKVOOTSA-N	-1	0	350.374	4.428	40	10		FICBRM
COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409152066	570733295	/nfs/dbraw/zinc/73/32/95/570733295.db2.gz	JJVSDGQJSRAAMX-SIFCLUCFSA-N	-1	0	363.413	4.306	40	10		FICBRM
O=[N+]([O-])c1cccc2cccc(/N=N/c3ccc(S(=O)(=O)[O-])cc3)c21	ZINC000013402564	570777440	/nfs/dbraw/zinc/77/74/40/570777440.db2.gz	ISYIWINIJDNISW-ISLYRVAYSA-N	-1	0	357.347	4.410	40	10		FICBRM
CCc1cccc2c(C=C3C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)c[nH]c21	ZINC000006959455	570788326	/nfs/dbraw/zinc/78/83/26/570788326.db2.gz	HAJSBQPBYUYVLN-GZTJUZNOSA-N	-1	0	365.433	4.365	40	10		FICBRM
COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1OC	ZINC000230259605	571279432	/nfs/dbraw/zinc/27/94/32/571279432.db2.gz	RMIPQOCGPWJYDZ-SIFCLUCFSA-N	-1	0	351.402	4.229	40	10		FICBRM
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000248334159	571291337	/nfs/dbraw/zinc/29/13/37/571291337.db2.gz	LEJHZAUUTZQFBN-JTDSTZFVSA-N	-1	0	350.374	4.428	40	10		FICBRM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S	ZINC000005374227	204205832	/nfs/dbraw/zinc/20/58/32/204205832.db2.gz	GVQJJJYGHRRUMG-QTNMRXCUSA-N	-1	0	363.504	4.265	40	10		FICBRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	ZINC000005371828	204206128	/nfs/dbraw/zinc/20/61/28/204206128.db2.gz	NYCRGKFDIRSIJD-NVNXTCNLSA-N	-1	0	373.430	4.238	40	10		FICBRM
Cc1ccccc1/C=C1\SC(=S)N(c2ccc(C)c(C(=O)[O-])c2)C1=O	ZINC000005373449	204206258	/nfs/dbraw/zinc/20/62/58/204206258.db2.gz	QVEOTOKQIXVRDY-SXGWCWSVSA-N	-1	0	369.467	4.407	40	10		FICBRM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	ZINC000005569772	204216570	/nfs/dbraw/zinc/21/65/70/204216570.db2.gz	RAOLOGDQERKFEE-QPEQYQDCSA-N	-1	0	367.619	4.108	40	10		FICBRM
COc1ccc(OC)c([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)c1	ZINC000004140411	206170357	/nfs/dbraw/zinc/17/03/57/206170357.db2.gz	HPOXQYJSUGREQN-BXTJHSDWSA-N	-1	0	351.402	4.229	40	10		FICBRM
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1cccc(C(=O)[O-])c1	ZINC000408529197	570509303	/nfs/dbraw/zinc/50/93/03/570509303.db2.gz	IOKHJDUSUSSALT-YBEGLDIGSA-N	-1	0	369.808	4.065	40	10		FICBRM
O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000408751862	570690045	/nfs/dbraw/zinc/69/00/45/570690045.db2.gz	CYRIFAZZFSMBQC-HMMYKYKNSA-N	-1	0	368.392	4.219	40	10		FICBRM
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409156980	570733837	/nfs/dbraw/zinc/73/38/37/570733837.db2.gz	PNOBYFCCHIMDEH-SXGZJXTBSA-N	-1	0	363.413	4.388	40	10		FICBRM
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3ccccc3Cl)c2=O)cc1	ZINC000112115170	570810440	/nfs/dbraw/zinc/81/04/40/570810440.db2.gz	PZDAKTMYLDYZOP-PDGQHHTCSA-N	-1	0	355.825	4.457	40	10		FICBRM
COc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000033319614	571084492	/nfs/dbraw/zinc/08/44/92/571084492.db2.gz	XHUVKOUPVZLAKR-AQTBWJFISA-N	-1	0	372.380	4.355	40	10		FICBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1	ZINC000199499950	571310001	/nfs/dbraw/zinc/31/00/01/571310001.db2.gz	DVGJGNQSLAWLRD-ATVHPVEESA-N	-1	0	364.788	4.061	40	10		FICBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccccc23)C1=O	ZINC000031903716	571354373	/nfs/dbraw/zinc/35/43/73/571354373.db2.gz	GXXWCNCQGDRWQD-LFIBNONCSA-N	-1	0	359.385	4.237	40	10		FICBRM
O=C([O-])/C(=C/c1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1	ZINC000004701230	204156709	/nfs/dbraw/zinc/15/67/09/204156709.db2.gz	WRBCIIWWCLHEEB-XDHOZWIPSA-N	-1	0	354.361	4.087	40	10		FICBRM
Cc1cccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)c1	ZINC000005373483	204205434	/nfs/dbraw/zinc/20/54/34/204205434.db2.gz	LBQIKMSVZZNENF-QZFKAFNDSA-N	-1	0	369.467	4.022	40	10		FICBRM
Cc1ccccc1/C=C1\SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000005373355	204206219	/nfs/dbraw/zinc/20/62/19/204206219.db2.gz	UTFJQSBAPLOXOQ-GDNBJRDFSA-N	-1	0	355.440	4.099	40	10		FICBRM
Nc1c(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc2c3c(cccc31)CC2	ZINC000005488251	204210626	/nfs/dbraw/zinc/21/06/26/204210626.db2.gz	ZIHRFUSDBMGXPY-QZQOTICOSA-N	-1	0	353.403	4.183	40	10		FICBRM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\[C@H](C)c1ccccc1	ZINC000096193369	205846876	/nfs/dbraw/zinc/84/68/76/205846876.db2.gz	VAVPMBJLCSFEEW-KPENOIPVSA-N	-1	0	368.820	4.491	40	10		FICBRM
CCCOc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1	ZINC000005940333	206199576	/nfs/dbraw/zinc/19/95/76/206199576.db2.gz	GMMBLIJNCWOTJF-UHFFFAOYSA-N	-1	0	374.487	4.400	40	10		FICBRM
COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000000871827	206224506	/nfs/dbraw/zinc/22/45/06/206224506.db2.gz	ZTLZMEHLBPOFFS-JTDSTZFVSA-N	-1	0	351.402	4.229	40	10		FICBRM
COc1ccc(OC)c([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000004172125	206236768	/nfs/dbraw/zinc/23/67/68/206236768.db2.gz	HPOXQYJSUGREQN-QEEYODRMSA-N	-1	0	351.402	4.229	40	10		FICBRM
Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2ccc(C(=O)[O-])cc2)S1	ZINC000006075093	206240590	/nfs/dbraw/zinc/24/05/90/206240590.db2.gz	SOVYEOFHDDZPFQ-OQLLNIDSSA-N	-1	0	372.833	4.429	40	10		FICBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1c(F)c(F)c(F)c(F)c1F	ZINC000100988550	570509627	/nfs/dbraw/zinc/50/96/27/570509627.db2.gz	IZLDAOGPSSYPPH-AWEZNQCLSA-N	-1	0	372.318	4.266	40	10		FICBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)c(O)c(C)c2)C1=O	ZINC000038173330	571309836	/nfs/dbraw/zinc/30/98/36/571309836.db2.gz	KSRVWZBMHWRXTL-LFIBNONCSA-N	-1	0	364.401	4.078	40	10		FICBRM
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1C	ZINC000003136506	204080049	/nfs/dbraw/zinc/08/00/49/204080049.db2.gz	JRYYIEYLVMEOJA-OVCLIPMQSA-N	-1	0	361.228	4.072	40	10		FICBRM
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004151415	206169041	/nfs/dbraw/zinc/16/90/41/206169041.db2.gz	FUCGARSSSYZRAC-YZVOILCLSA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000100244949	206222769	/nfs/dbraw/zinc/22/27/69/206222769.db2.gz	DQQZSKXVLOLAOF-MJWGMMHASA-N	-1	0	357.757	4.123	40	10		FICBRM
COC(=O)c1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(C)cc1	ZINC000408952026	263508648	/nfs/dbraw/zinc/50/86/48/263508648.db2.gz	UXMPGLMOPBCANW-UHFFFAOYSA-N	-1	0	363.413	4.257	40	10		FICBRM
CCOC(=O)c1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409164746	263536247	/nfs/dbraw/zinc/53/62/47/263536247.db2.gz	NGFUIWGLLLBXRY-LPMFXHHGSA-N	-1	0	363.413	4.388	40	10		FICBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(Cl)cc1	ZINC000059135750	571087502	/nfs/dbraw/zinc/08/75/02/571087502.db2.gz	DQEVKBYWRSGSOR-FMIVXFBMSA-N	-1	0	360.797	4.151	40	10		FICBRM
COc1ccc(OC)c2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000408737441	570684851	/nfs/dbraw/zinc/68/48/51/570684851.db2.gz	QVDKZSPDFOORJX-VCBZYWHSSA-N	-1	0	351.402	4.229	40	10		FICBRM
CCN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)SC1=S	ZINC000409332136	570750436	/nfs/dbraw/zinc/75/04/36/570750436.db2.gz	QBFVWHWRSXKFSH-OQLLNIDSSA-N	-1	0	373.455	4.174	40	10		FICBRM
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140433	571148167	/nfs/dbraw/zinc/14/81/67/571148167.db2.gz	OAAIBDPWPXBPSC-UWVAXJGDSA-N	-1	0	363.413	4.388	40	10		FICBRM
O=C([O-])C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000005214077	207087060	/nfs/dbraw/zinc/08/70/60/207087060.db2.gz	JVGMTAWWBZEMCI-CNYBTUBUSA-N	-1	0	369.467	4.104	40	10		FICBRM
Cc1ccccc1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000005373439	207097632	/nfs/dbraw/zinc/09/76/32/207097632.db2.gz	QPBZALXFDRCVKH-GDNBJRDFSA-N	-1	0	355.440	4.099	40	10		FICBRM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S	ZINC000005374228	207097686	/nfs/dbraw/zinc/09/76/86/207097686.db2.gz	GVQJJJYGHRRUMG-MKRLJBPISA-N	-1	0	363.504	4.265	40	10		FICBRM
CC(C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000032115734	208025732	/nfs/dbraw/zinc/02/57/32/208025732.db2.gz	MFAIXJOACMWBJG-OQLLNIDSSA-N	-1	0	357.387	4.090	40	10		FICBRM
COc1cc(-n2[n-]c(C)c(C=Nc3ccccc3OC)c2=O)ccc1Cl	ZINC000408532967	570514530	/nfs/dbraw/zinc/51/45/30/570514530.db2.gz	NMCVRSNSNOSYKT-KAMYIIQDSA-N	-1	0	371.824	4.076	40	10		FICBRM
COc1ccc(OC)c([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)c1	ZINC000004140410	570665797	/nfs/dbraw/zinc/66/57/97/570665797.db2.gz	HPOXQYJSUGREQN-MDOVXXIYSA-N	-1	0	351.402	4.229	40	10		FICBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)cc1	ZINC000408986824	570708370	/nfs/dbraw/zinc/70/83/70/570708370.db2.gz	NHRJWOSAJAYZRA-UYRXBGFRSA-N	-1	0	362.429	4.039	40	10		FICBRM
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409150735	570732403	/nfs/dbraw/zinc/73/24/03/570732403.db2.gz	DIBVSOIFJIIAGA-VFVRVIDISA-N	-1	0	366.373	4.128	40	10		FICBRM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cc(C(=O)[O-])ccc1C	ZINC000016312151	570854271	/nfs/dbraw/zinc/85/42/71/570854271.db2.gz	MEWIGTUMZWWPRA-WQRHYEAKSA-N	-1	0	363.417	4.029	40	10		FICBRM
O=[N+]([O-])c1cccc2cccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c21	ZINC000003844716	570930862	/nfs/dbraw/zinc/93/08/62/570930862.db2.gz	ISYIWINIJDNISW-UHFFFAOYSA-N	-1	0	357.347	4.410	40	10		FICBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cccc(Cl)c1	ZINC000059135971	571087458	/nfs/dbraw/zinc/08/74/58/571087458.db2.gz	WMCWKYWEXIGSBH-FMIVXFBMSA-N	-1	0	360.797	4.151	40	10		FICBRM
COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000248339950	571291331	/nfs/dbraw/zinc/29/13/31/571291331.db2.gz	UGGMMYKPZAMSMV-MBOZVWFJSA-N	-1	0	363.413	4.306	40	10		FICBRM
O=C([O-])[C@H]1Nc2c(C(=O)c3ccccc3)cc(Cl)cc2[C@H]2C=CC[C@H]21	ZINC000004539496	207026152	/nfs/dbraw/zinc/02/61/52/207026152.db2.gz	HMYBOJRMGBRYMD-IYOUNJFTSA-N	-1	0	353.805	4.109	40	10		FICBRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000005374182	207097131	/nfs/dbraw/zinc/09/71/31/207097131.db2.gz	WCQJVVFITSEHIG-SCKSMKOWSA-N	-1	0	369.895	4.041	40	10		FICBRM
CCc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000013058311	207449849	/nfs/dbraw/zinc/44/98/49/207449849.db2.gz	JWCXTJYLOFWGPB-WJDWOHSUSA-N	-1	0	369.467	4.353	40	10		FICBRM
COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140528	570665961	/nfs/dbraw/zinc/66/59/61/570665961.db2.gz	ZTLZMEHLBPOFFS-FCEWJHQRSA-N	-1	0	351.402	4.229	40	10		FICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)c(C)c1	ZINC000408878204	570694544	/nfs/dbraw/zinc/69/45/44/570694544.db2.gz	YDLBNUZYJDMTDJ-CPNJWEJPSA-N	-1	0	370.408	4.123	40	10		FICBRM
CCOC(=O)c1ccccc1N=Nc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100517152	570762130	/nfs/dbraw/zinc/76/21/30/570762130.db2.gz	QRIGMXYNGSXJIH-QZQOTICOSA-N	-1	0	350.378	4.478	40	10		FICBRM
COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000111440628	570931949	/nfs/dbraw/zinc/93/19/49/570931949.db2.gz	ZTLZMEHLBPOFFS-MDZRGWNJSA-N	-1	0	351.402	4.229	40	10		FICBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1Cl	ZINC000059135783	571087407	/nfs/dbraw/zinc/08/74/07/571087407.db2.gz	WTXBUIYEKBLPPN-PKNBQFBNSA-N	-1	0	360.797	4.151	40	10		FICBRM
CCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000083292135	571100785	/nfs/dbraw/zinc/10/07/85/571100785.db2.gz	SVCHVJBVJBOMIJ-RVDMUPIBSA-N	-1	0	370.792	4.245	40	10		FICBRM
Nc1c(/N=N\c2ccc(S(=O)(=O)[O-])cc2)cc2c3c(cccc31)CC2	ZINC000104250365	209260189	/nfs/dbraw/zinc/26/01/89/209260189.db2.gz	ZIHRFUSDBMGXPY-MRCUWXFGSA-N	-1	0	353.403	4.183	40	10		FICBRM
CC(C)c1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1	ZINC000005214133	207087794	/nfs/dbraw/zinc/08/77/94/207087794.db2.gz	AOVDPGXWUKRLQT-MZLJFPOFSA-N	-1	0	363.504	4.120	40	10		FICBRM
Cc1cccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1	ZINC000005373486	207097005	/nfs/dbraw/zinc/09/70/05/207097005.db2.gz	LBQIKMSVZZNENF-UVQBRAAOSA-N	-1	0	369.467	4.022	40	10		FICBRM
CN(C1=NC(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S1)c1ccc(Cl)cc1	ZINC000006568848	207145999	/nfs/dbraw/zinc/14/59/99/207145999.db2.gz	SOFDHAVCEWFOBY-GDNBJRDFSA-N	-1	0	372.833	4.145	40	10		FICBRM
CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000408537282	570519239	/nfs/dbraw/zinc/51/92/39/570519239.db2.gz	ZUXUQGHBUWASOB-YBEGLDIGSA-N	-1	0	369.808	4.065	40	10		FICBRM
Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)[O-])o1	ZINC000408632069	570595885	/nfs/dbraw/zinc/59/58/85/570595885.db2.gz	KHJKLBVOYWUHGH-YVLHZVERSA-N	-1	0	369.446	4.312	40	10		FICBRM
CC(=Nc1ccccn1)c1c(-c2ccccc2)[n-]n(-c2ccccc2)c1=O	ZINC000103920601	570772696	/nfs/dbraw/zinc/77/26/96/570772696.db2.gz	LFNOGQLONVSXQK-SILNSSARSA-N	-1	0	354.413	4.219	40	10		FICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(O)ccc4ccccc34)C2=O)cc1	ZINC000083318119	571100802	/nfs/dbraw/zinc/10/08/02/571100802.db2.gz	WPWGOBHQFLCAHS-LDADJPATSA-N	-1	0	372.380	4.361	40	10		FICBRM
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)SC2=S)c(C)c1	ZINC000016905989	209601378	/nfs/dbraw/zinc/60/13/78/209601378.db2.gz	RYFPSDPGTNEGTQ-MHWRWJLKSA-N	-1	0	369.467	4.407	40	10		FICBRM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\C=C/c1ccccc1	ZINC000096193365	209131807	/nfs/dbraw/zinc/13/18/07/209131807.db2.gz	JQXFJEMPUVAMAM-VDNNZNEESA-N	-1	0	366.804	4.401	40	10		FICBRM
Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000004341285	207015312	/nfs/dbraw/zinc/01/53/12/207015312.db2.gz	ZEZLEPSGWNNZAS-OQLLNIDSSA-N	-1	0	355.440	4.099	40	10		FICBRM
Cc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1	ZINC000005371174	207097615	/nfs/dbraw/zinc/09/76/15/207097615.db2.gz	IZARSRNOPRXYCN-SXGWCWSVSA-N	-1	0	369.467	4.407	40	10		FICBRM
CCc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000017373796	207621294	/nfs/dbraw/zinc/62/12/94/207621294.db2.gz	VUFIOTHWEAEEGG-YBEGLDIGSA-N	-1	0	369.467	4.353	40	10		FICBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000409163560	263536326	/nfs/dbraw/zinc/53/63/26/263536326.db2.gz	UBYYSLONYKTYSY-SPYBWZPUSA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1cc([C@H]2[NH2+]C[C@H](C(=O)[O-])S2)c(C)n1-c1cccc2ccccc21	ZINC000408976914	570706592	/nfs/dbraw/zinc/70/65/92/570706592.db2.gz	HAUABIGXYYTBLG-MOPGFXCFSA-N	-1	0	352.459	4.036	40	10		FICBRM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1cc(C(=O)[O-])ccc1C	ZINC000016284813	570853782	/nfs/dbraw/zinc/85/37/82/570853782.db2.gz	OIUKNQQCLOKVIU-BOPFTXTBSA-N	-1	0	363.417	4.029	40	10		FICBRM
O=C([O-])c1cccc(N2N=C(c3ccccc3)/C(=C/c3ccccc3)C2=O)c1	ZINC000005772230	571069841	/nfs/dbraw/zinc/06/98/41/571069841.db2.gz	WBDATLGVCJIDPG-ZHZULCJRSA-N	-1	0	368.392	4.219	40	10		FICBRM
CCc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1	ZINC000001766412	571192194	/nfs/dbraw/zinc/19/21/94/571192194.db2.gz	XAUGGZNAAJOCKK-NTCAYCPXSA-N	-1	0	363.504	4.095	40	10		FICBRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000226855799	209368753	/nfs/dbraw/zinc/36/87/53/209368753.db2.gz	OHMCVNBRXHGUDO-UHFFFAOYSA-N	-1	0	366.653	4.462	40	10		FICBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000005371867	207096706	/nfs/dbraw/zinc/09/67/06/207096706.db2.gz	SGRIRVMJRDBCOG-FNWMBBJUSA-N	-1	0	369.895	4.185	40	10		FICBRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	ZINC000005371798	207097372	/nfs/dbraw/zinc/09/73/72/207097372.db2.gz	CIRIDHMFMYTMLO-NVNXTCNLSA-N	-1	0	373.430	4.238	40	10		FICBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)c1C	ZINC000408875983	570694873	/nfs/dbraw/zinc/69/48/73/570694873.db2.gz	MWVKJPBQDMJYMC-CPNJWEJPSA-N	-1	0	370.408	4.123	40	10		FICBRM
O=C([O-])CCc1ccc(-c2cccs2)n1CC(=O)Nc1ccc(F)cc1	ZINC000006322560	570780850	/nfs/dbraw/zinc/78/08/50/570780850.db2.gz	QLZUFCIHIVOLND-UHFFFAOYSA-N	-1	0	372.421	4.012	40	10		FICBRM
CC(=Nc1ccccc1Cl)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000112118469	570811017	/nfs/dbraw/zinc/81/10/17/570811017.db2.gz	JNZPRCNICCGRMF-BOPFTXTBSA-N	-1	0	370.796	4.357	40	10		FICBRM
CCc1ccc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)cc1	ZINC000020227055	570914033	/nfs/dbraw/zinc/91/40/33/570914033.db2.gz	LPZVUTJPLSCYPY-WJDWOHSUSA-N	-1	0	352.415	4.030	40	10		FICBRM
CCOc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O	ZINC000059860355	571091903	/nfs/dbraw/zinc/09/19/03/571091903.db2.gz	RWMNQYUJYDZXOJ-FOWTUZBSSA-N	-1	0	364.401	4.209	40	10		FICBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1	ZINC000083308391	571100884	/nfs/dbraw/zinc/10/08/84/571100884.db2.gz	JUSCTUAHQOXRBP-OQLLNIDSSA-N	-1	0	370.792	4.169	40	10		FICBRM
COc1ccc(OC)c([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1	ZINC000004140413	571147215	/nfs/dbraw/zinc/14/72/15/571147215.db2.gz	HPOXQYJSUGREQN-AUSJPIAWSA-N	-1	0	351.402	4.229	40	10		FICBRM
Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1	ZINC000005373371	207097296	/nfs/dbraw/zinc/09/72/96/207097296.db2.gz	NALCIBNQKGRUJD-SXGWCWSVSA-N	-1	0	369.467	4.407	40	10		FICBRM
Cc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1C(=O)[O-]	ZINC000005374058	207097673	/nfs/dbraw/zinc/09/76/73/207097673.db2.gz	RJFNPSARGXPORX-MDWZMJQESA-N	-1	0	361.469	4.161	40	10		FICBRM
COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000014165867	570517913	/nfs/dbraw/zinc/51/79/13/570517913.db2.gz	ZTLZMEHLBPOFFS-GJYPPUQNSA-N	-1	0	351.402	4.229	40	10		FICBRM
Cc1ccc(O)c(NN=C2C(=O)C=C(S(=O)(=O)[O-])c3ccccc32)c1	ZINC000003841512	570567825	/nfs/dbraw/zinc/56/78/25/570567825.db2.gz	VBRNLOQCBCPPHL-HNENSFHCSA-N	-1	0	358.375	4.222	40	10		FICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)cc1C	ZINC000408784413	570687222	/nfs/dbraw/zinc/68/72/22/570687222.db2.gz	QVSGZMBTRPYXKA-XDHOZWIPSA-N	-1	0	362.429	4.093	40	10		FICBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	ZINC000408828283	570690467	/nfs/dbraw/zinc/69/04/67/570690467.db2.gz	JJJHUVJJAJMHNI-GJYPPUQNSA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409169888	570734173	/nfs/dbraw/zinc/73/41/73/570734173.db2.gz	SRDZKPOFHHDLRO-VPZZIHKRSA-N	-1	0	350.374	4.428	40	10		FICBRM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S	ZINC000016753995	570862026	/nfs/dbraw/zinc/86/20/26/570862026.db2.gz	OGPLWRNSNHBPHA-RVDMUPIBSA-N	-1	0	373.455	4.013	40	10		FICBRM
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	ZINC000033531531	571065432	/nfs/dbraw/zinc/06/54/32/571065432.db2.gz	NUBAYSQLCONZRU-DHDCSXOGSA-N	-1	0	370.792	4.164	40	10		FICBRM
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004151416	209413840	/nfs/dbraw/zinc/41/38/40/209413840.db2.gz	FUCGARSSSYZRAC-DOXZYTNZSA-N	-1	0	350.374	4.428	40	10		FICBRM
COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000043769598	209309979	/nfs/dbraw/zinc/30/99/79/209309979.db2.gz	ZTLZMEHLBPOFFS-GPMSIDNRSA-N	-1	0	351.402	4.229	40	10		FICBRM
O=[N+]([O-])c1cccc2cccc(/N=N\c3ccc(S(=O)(=O)[O-])cc3)c21	ZINC000100369388	209213356	/nfs/dbraw/zinc/21/33/56/209213356.db2.gz	ISYIWINIJDNISW-ZCXUNETKSA-N	-1	0	357.347	4.410	40	10		FICBRM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\[C@@H](C)c1ccccc1	ZINC000096193368	209132212	/nfs/dbraw/zinc/13/22/12/209132212.db2.gz	VAVPMBJLCSFEEW-YUSFRKCESA-N	-1	0	368.820	4.491	40	10		FICBRM
O=C([O-])c1ccc2c(c1Sc1ccccc1)C(=O)c1ccccc1C2=O	ZINC000005015095	207072415	/nfs/dbraw/zinc/07/24/15/207072415.db2.gz	JOOCTHVETMADKQ-UHFFFAOYSA-N	-1	0	360.390	4.311	40	10		FICBRM
O=C([O-])c1ccccc1NC1=NC(=O)C(=CC=Cc2ccccc2)S1	ZINC000005373130	207097267	/nfs/dbraw/zinc/09/72/67/207097267.db2.gz	HVCUMSZARHKXFG-FLIHGVEMSA-N	-1	0	350.399	4.023	40	10		FICBRM
Cc1cc([C@@H]2[NH2+]C[C@@H](C(=O)[O-])S2)c(C)n1-c1cccc2ccccc21	ZINC000408976921	570706511	/nfs/dbraw/zinc/70/65/11/570706511.db2.gz	HAUABIGXYYTBLG-RBUKOAKNSA-N	-1	0	352.459	4.036	40	10		FICBRM
COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409169227	570735166	/nfs/dbraw/zinc/73/51/66/570735166.db2.gz	OXCRDQVTOYDOEO-CKNLXJGOSA-N	-1	0	363.413	4.306	40	10		FICBRM
CCOc1ccccc1N=C(C)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000112114968	570810270	/nfs/dbraw/zinc/81/02/70/570810270.db2.gz	GTYNQTVBYIPUFL-UYRXBGFRSA-N	-1	0	353.397	4.333	40	10		FICBRM
CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1	ZINC000059862148	571091789	/nfs/dbraw/zinc/09/17/89/571091789.db2.gz	TZPLXKSMUILQHC-SFQUDFHCSA-N	-1	0	364.401	4.209	40	10		FICBRM
CCCOc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000059860384	571091880	/nfs/dbraw/zinc/09/18/80/571091880.db2.gz	HZCVGKZGVMIQEB-DTQAZKPQSA-N	-1	0	364.401	4.291	40	10		FICBRM
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409150733	263534262	/nfs/dbraw/zinc/53/42/62/263534262.db2.gz	DIBVSOIFJIIAGA-VBHSOAQHSA-N	-1	0	366.373	4.128	40	10		FICBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc([N+](=O)[O-])cc1	ZINC000004804129	570607189	/nfs/dbraw/zinc/60/71/89/570607189.db2.gz	IDBIKCCABJSIGQ-ISLYRVAYSA-N	-1	0	373.346	4.116	40	10		FICBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S	ZINC000005372256	570624670	/nfs/dbraw/zinc/62/46/70/570624670.db2.gz	DJGHCEWGIDTVEY-XFNCEPBJSA-N	-1	0	363.504	4.094	40	10		FICBRM
CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000005374180	570625113	/nfs/dbraw/zinc/62/51/13/570625113.db2.gz	WCQJVVFITSEHIG-YRGPHNOISA-N	-1	0	369.895	4.041	40	10		FICBRM
COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)c(OC)c1	ZINC000408949072	570702494	/nfs/dbraw/zinc/70/24/94/570702494.db2.gz	QISJQEZPVUYPJM-UHFFFAOYSA-N	-1	0	365.429	4.487	40	10		FICBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)s1	ZINC000409237893	570743061	/nfs/dbraw/zinc/74/30/61/570743061.db2.gz	JIZPKORBQYTNKO-MHWRWJLKSA-N	-1	0	370.499	4.011	40	10		FICBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1Sc1ccccc1	ZINC000107771898	571310003	/nfs/dbraw/zinc/31/00/03/571310003.db2.gz	CPYVYKZDEXJACE-CYVLTUHYSA-N	-1	0	372.449	4.299	40	10		FICBRM
COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000006960371	219784230	/nfs/dbraw/zinc/78/42/30/219784230.db2.gz	UGGMMYKPZAMSMV-SQGPQFPESA-N	-1	0	363.413	4.306	40	10		FICBRM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000005371684	210617507	/nfs/dbraw/zinc/61/75/07/210617507.db2.gz	OZMCAGBKRRDZRP-WJDWOHSUSA-N	-1	0	369.467	4.353	40	10		FICBRM
CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)SC1=S	ZINC000006657387	263346718	/nfs/dbraw/zinc/34/67/18/263346718.db2.gz	XVOVKEYOICSVIH-XNTDXEJSSA-N	-1	0	373.455	4.256	40	10		FICBRM
Cc1ccccc1/C=C1\SC(=S)N(c2cc(C(=O)[O-])ccc2C)C1=O	ZINC000005371140	570624292	/nfs/dbraw/zinc/62/42/92/570624292.db2.gz	JPRYPPQMDORARF-YBEGLDIGSA-N	-1	0	369.467	4.407	40	10		FICBRM
CCN(CC)c1ccc(/C=C(/c2n[n-]c(=N)s2)c2ccccc2)cc1	ZINC000408718543	570673020	/nfs/dbraw/zinc/67/30/20/570673020.db2.gz	WJEZFAUIDJDDBF-NBVRZTHBSA-N	-1	0	350.491	4.386	40	10		FICBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000059401563	571090346	/nfs/dbraw/zinc/09/03/46/571090346.db2.gz	KUWNYYVNJWRHSY-BIENJYKASA-N	-1	0	350.374	4.428	40	10		FICBRM
CC(=Cc1ccccc1)C=C1SC(Nc2ccccc2C(=O)[O-])=NC1=O	ZINC000054153080	571113732	/nfs/dbraw/zinc/11/37/32/571113732.db2.gz	FEGWIGQHJIKJDF-YMGXUNRSSA-N	-1	0	364.426	4.414	40	10		FICBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)c(O)c(C)c3)C2=O)c1	ZINC000038172428	571309789	/nfs/dbraw/zinc/30/97/89/571309789.db2.gz	HNIWTWUBARYRFR-LICLKQGHSA-N	-1	0	364.401	4.133	40	10		FICBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(C)c1O	ZINC000038188329	571309984	/nfs/dbraw/zinc/30/99/84/571309984.db2.gz	VZUVGAIOECGXER-OVCLIPMQSA-N	-1	0	370.792	4.169	40	10		FICBRM
Cc1cccc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)c1	ZINC000005371160	570624245	/nfs/dbraw/zinc/62/42/45/570624245.db2.gz	AFHBYLGOOQJRPY-SXGWCWSVSA-N	-1	0	369.467	4.407	40	10		FICBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)cc1	ZINC000005371685	570624265	/nfs/dbraw/zinc/62/42/65/570624265.db2.gz	YUIBWTLHZRCVRS-WJDWOHSUSA-N	-1	0	369.467	4.353	40	10		FICBRM
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Br)cc1	ZINC000005443009	570627381	/nfs/dbraw/zinc/62/73/81/570627381.db2.gz	ATYYHJDNQJKLNV-GZTJUZNOSA-N	-1	0	370.250	4.476	40	10		FICBRM
COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409152071	570733336	/nfs/dbraw/zinc/73/33/36/570733336.db2.gz	JJVSDGQJSRAAMX-SXGZJXTBSA-N	-1	0	363.413	4.306	40	10		FICBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409169886	570734143	/nfs/dbraw/zinc/73/41/43/570734143.db2.gz	SRDZKPOFHHDLRO-NQCMUKECSA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)ccc1F	ZINC000225609379	571049176	/nfs/dbraw/zinc/04/91/76/571049176.db2.gz	XRPAENGMCCKOGO-UHFFFAOYSA-N	-1	0	369.417	4.166	40	10		FICBRM
COc1cc(OC)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140525	570665904	/nfs/dbraw/zinc/66/59/04/570665904.db2.gz	ZTLZMEHLBPOFFS-TXPKVOOTSA-N	-1	0	351.402	4.229	40	10		FICBRM
Cc1cc([C@H]2[NH2+]C[C@@H](C(=O)[O-])S2)c(C)n1-c1cccc2ccccc21	ZINC000408976918	570706565	/nfs/dbraw/zinc/70/65/65/570706565.db2.gz	HAUABIGXYYTBLG-OALUTQOASA-N	-1	0	352.459	4.036	40	10		FICBRM
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409150935	570732411	/nfs/dbraw/zinc/73/24/11/570732411.db2.gz	FFSUWKYGGVMWDH-LPMFXHHGSA-N	-1	0	350.374	4.428	40	10		FICBRM
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409156973	570733813	/nfs/dbraw/zinc/73/38/13/570733813.db2.gz	PNOBYFCCHIMDEH-SIFCLUCFSA-N	-1	0	363.413	4.388	40	10		FICBRM
CN1C(=O)/C(=C\c2c(Cl)cc(Cl)c([O-])c2Cl)SC1=S	ZINC000113830626	570825594	/nfs/dbraw/zinc/82/55/94/570825594.db2.gz	AGGSNQOSYDPAHN-FARCUNLSSA-N	-1	0	354.667	4.183	40	10		FICBRM
O=C([O-])C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000031772078	571055577	/nfs/dbraw/zinc/05/55/77/571055577.db2.gz	JVGMTAWWBZEMCI-DFSFMLJYSA-N	-1	0	369.467	4.104	40	10		FICBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccccc2)cc1	ZINC000034715440	571309809	/nfs/dbraw/zinc/30/98/09/571309809.db2.gz	DVCYELWNVABIPL-HKWRFOASSA-N	-1	0	372.449	4.299	40	10		FICBRM
CCc1ccc(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)cc1	ZINC000054164397	211924573	/nfs/dbraw/zinc/92/45/73/211924573.db2.gz	SNBGCPGVJBKZBI-YVLHZVERSA-N	-1	0	366.442	4.338	40	10		FICBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1c(F)c(F)c(F)c(F)c1F	ZINC000100988548	222259474	/nfs/dbraw/zinc/25/94/74/222259474.db2.gz	IZLDAOGPSSYPPH-CQSZACIVSA-N	-1	0	372.318	4.266	40	10		FICBRM
CC(=Cc1ccccc1)C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000059135388	263416482	/nfs/dbraw/zinc/41/64/82/263416482.db2.gz	QJLINZFVFFREIZ-QKIOLIMFSA-N	-1	0	350.349	4.279	40	10		FICBRM
COc1cc(OC)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140526	570665775	/nfs/dbraw/zinc/66/57/75/570665775.db2.gz	ZTLZMEHLBPOFFS-BXWFABGCSA-N	-1	0	351.402	4.229	40	10		FICBRM
COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140527	570665933	/nfs/dbraw/zinc/66/59/33/570665933.db2.gz	ZTLZMEHLBPOFFS-FRQCXROJSA-N	-1	0	351.402	4.229	40	10		FICBRM
Cc1cc([C@@H]2[NH2+]C[C@H](C(=O)[O-])S2)c(C)n1-c1cccc2ccccc21	ZINC000408976922	570706571	/nfs/dbraw/zinc/70/65/71/570706571.db2.gz	HAUABIGXYYTBLG-RTBURBONSA-N	-1	0	352.459	4.036	40	10		FICBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)c(O)c(C)c3)C2=O)cc1	ZINC000038178007	571309811	/nfs/dbraw/zinc/30/98/11/571309811.db2.gz	JZFBQEBETRWWAN-GZTJUZNOSA-N	-1	0	364.401	4.078	40	10		FICBRM
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000013402436	220067427	/nfs/dbraw/zinc/06/74/27/220067427.db2.gz	FUCGARSSSYZRAC-SPYBWZPUSA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000013058305	211022359	/nfs/dbraw/zinc/02/23/59/211022359.db2.gz	IUKADKZAMMMZNB-GDNBJRDFSA-N	-1	0	355.440	4.099	40	10		FICBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Br)cc1	ZINC000105456866	222369653	/nfs/dbraw/zinc/36/96/53/222369653.db2.gz	ICCHXFXWHUXPAW-MJWGMMHASA-N	-1	0	357.211	4.324	40	10		FICBRM
Cc1cccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000005373490	570624708	/nfs/dbraw/zinc/62/47/08/570624708.db2.gz	GOTBSNOKGLKVSQ-DHDCSXOGSA-N	-1	0	355.440	4.099	40	10		FICBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1	ZINC000409019862	570713892	/nfs/dbraw/zinc/71/38/92/570713892.db2.gz	ZHBLRQCPDNKKJY-CXUHLZMHSA-N	-1	0	371.414	4.398	40	10		FICBRM
COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000006960241	570788399	/nfs/dbraw/zinc/78/83/99/570788399.db2.gz	UGGMMYKPZAMSMV-ABSDTBQOSA-N	-1	0	363.413	4.306	40	10		FICBRM
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000000971843	219347638	/nfs/dbraw/zinc/34/76/38/219347638.db2.gz	FUCGARSSSYZRAC-KHYOSLBOSA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1C(=O)[O-]	ZINC000005374155	210617000	/nfs/dbraw/zinc/61/70/00/210617000.db2.gz	OSIJALYVJOHTSP-NVNXTCNLSA-N	-1	0	373.430	4.238	40	10		FICBRM
Cc1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1Cl	ZINC000000851475	210280089	/nfs/dbraw/zinc/28/00/89/210280089.db2.gz	OLKYPDBOMMBWCP-UHFFFAOYSA-N	-1	0	366.653	4.462	40	10		FICBRM
CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)SC1=S	ZINC000409329230	263549143	/nfs/dbraw/zinc/54/91/43/263549143.db2.gz	CLVWKBZXJMPFSI-OQLLNIDSSA-N	-1	0	373.455	4.174	40	10		FICBRM
Cc1cc(C(=O)[O-])c(C)n1-c1cc(Br)ccc1Br	ZINC000109739160	570537524	/nfs/dbraw/zinc/53/75/24/570537524.db2.gz	QIXZKUZALRUCCW-UHFFFAOYSA-N	-1	0	373.044	4.317	40	10		FICBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	ZINC000005371908	570624666	/nfs/dbraw/zinc/62/46/66/570624666.db2.gz	DNKLPXZPFSYRNC-FNWMBBJUSA-N	-1	0	369.895	4.185	40	10		FICBRM
CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1	ZINC000007166612	570660718	/nfs/dbraw/zinc/66/07/18/570660718.db2.gz	HWZWKQGCKGHTRI-KAMYIIQDSA-N	-1	0	363.504	4.050	40	10		FICBRM
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409150936	570732466	/nfs/dbraw/zinc/73/24/66/570732466.db2.gz	FFSUWKYGGVMWDH-TYILLQQXSA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1	ZINC000225599358	571048205	/nfs/dbraw/zinc/04/82/05/571048205.db2.gz	SLAQMODXVDNUCZ-UHFFFAOYSA-N	-1	0	369.417	4.166	40	10		FICBRM
Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=CC=Cc2ccccc2)S1	ZINC000054164391	211924638	/nfs/dbraw/zinc/92/46/38/211924638.db2.gz	KRYAMEHHAGBHID-WIXUPIFPSA-N	-1	0	364.426	4.332	40	10		FICBRM
COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1	ZINC000409158471	263535258	/nfs/dbraw/zinc/53/52/58/263535258.db2.gz	RGASXMCYOZSXGO-QINHECLXSA-N	-1	0	363.413	4.306	40	10		FICBRM
CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000005374183	570625075	/nfs/dbraw/zinc/62/50/75/570625075.db2.gz	WCQJVVFITSEHIG-PPZQOGLRSA-N	-1	0	369.895	4.041	40	10		FICBRM
COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000409158454	570732824	/nfs/dbraw/zinc/73/28/24/570732824.db2.gz	RGASXMCYOZSXGO-GUXCAODWSA-N	-1	0	363.413	4.306	40	10		FICBRM
Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(C)C)cc2)C1=O	ZINC000409231726	570743976	/nfs/dbraw/zinc/74/39/76/570743976.db2.gz	LUMLNBZQFXMAEO-XNTDXEJSSA-N	-1	0	370.499	4.011	40	10		FICBRM
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000111441941	570932547	/nfs/dbraw/zinc/93/25/47/570932547.db2.gz	OAAIBDPWPXBPSC-FUHIMQAGSA-N	-1	0	363.413	4.388	40	10		FICBRM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C	ZINC000100922780	222257591	/nfs/dbraw/zinc/25/75/91/222257591.db2.gz	SLEMALVCZWMGCO-YBEGLDIGSA-N	-1	0	370.796	4.275	40	10		FICBRM
CC(=Cc1ccccc1)C=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000059136249	263416400	/nfs/dbraw/zinc/41/64/00/263416400.db2.gz	HWWUNAJVKAKIIN-CEHLPYKYSA-N	-1	0	366.417	4.444	40	10		FICBRM
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000408527715	570508294	/nfs/dbraw/zinc/50/82/94/570508294.db2.gz	GGHPSMTZMUZCDF-BOPFTXTBSA-N	-1	0	364.405	4.239	40	10		FICBRM
CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)cc1	ZINC000005260038	570622639	/nfs/dbraw/zinc/62/26/39/570622639.db2.gz	OOOXDGSCCOHJFK-UHFFFAOYSA-N	-1	0	365.454	4.281	40	10		FICBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	ZINC000005371905	570624667	/nfs/dbraw/zinc/62/46/67/570624667.db2.gz	YDWHXTDMFDLVOY-OEMOTLHWSA-N	-1	0	369.895	4.041	40	10		FICBRM
CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140436	570772669	/nfs/dbraw/zinc/77/26/69/570772669.db2.gz	OAAIBDPWPXBPSC-QKLQHJQFSA-N	-1	0	363.413	4.388	40	10		FICBRM
CCOc1ccccc1N=C(C)c1c(C)[n-]n(-c2ccc(OC)cc2)c1=O	ZINC000112117367	570810909	/nfs/dbraw/zinc/81/09/09/570810909.db2.gz	ORGDCHMIYQKZKE-ZHZULCJRSA-N	-1	0	365.433	4.203	40	10		FICBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)Nc2ccccc2)cc1	ZINC000014153051	570844650	/nfs/dbraw/zinc/84/46/50/570844650.db2.gz	IHFSZYCCCKBUJM-UHFFFAOYSA-N	-1	0	362.429	4.119	40	10		FICBRM
COc1ccc(OC)c([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1	ZINC000013389168	220066141	/nfs/dbraw/zinc/06/61/41/220066141.db2.gz	HPOXQYJSUGREQN-STXHMFSFSA-N	-1	0	351.402	4.229	40	10		FICBRM
CCc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1	ZINC000012504542	263371097	/nfs/dbraw/zinc/37/10/97/263371097.db2.gz	XAUGGZNAAJOCKK-QINSGFPZSA-N	-1	0	363.504	4.095	40	10		FICBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)c1	ZINC000005371696	570624270	/nfs/dbraw/zinc/62/42/70/570624270.db2.gz	VEIDRQPOGKCHFK-YBEGLDIGSA-N	-1	0	369.467	4.407	40	10		FICBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	ZINC000005371906	570624735	/nfs/dbraw/zinc/62/47/35/570624735.db2.gz	YDWHXTDMFDLVOY-YFBAIUBQSA-N	-1	0	369.895	4.041	40	10		FICBRM
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409157687	570734258	/nfs/dbraw/zinc/73/42/58/570734258.db2.gz	VNRDLACUBIICSX-SOZUMNATSA-N	-1	0	366.373	4.128	40	10		FICBRM
COc1ccc(OC)c([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1	ZINC000004140412	219549298	/nfs/dbraw/zinc/54/92/98/219549298.db2.gz	HPOXQYJSUGREQN-AVYPCKFXSA-N	-1	0	351.402	4.229	40	10		FICBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Br)cc1	ZINC000105456863	222369435	/nfs/dbraw/zinc/36/94/35/222369435.db2.gz	ICCHXFXWHUXPAW-AMGRQBIBSA-N	-1	0	357.211	4.324	40	10		FICBRM
COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c(OC)c1	ZINC000408736209	263493304	/nfs/dbraw/zinc/49/33/04/263493304.db2.gz	LKXCBAHRQJMNGN-QEEYODRMSA-N	-1	0	351.402	4.229	40	10		FICBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000408828089	263499848	/nfs/dbraw/zinc/49/98/48/263499848.db2.gz	LAGQANRBBLNNFW-GJYPPUQNSA-N	-1	0	350.374	4.428	40	10		FICBRM
Cc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)c1	ZINC000005373496	570624677	/nfs/dbraw/zinc/62/46/77/570624677.db2.gz	MDEAMUGBBQOGAA-SXGWCWSVSA-N	-1	0	369.467	4.407	40	10		FICBRM
Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)cc1C(=O)[O-]	ZINC000005373918	570625204	/nfs/dbraw/zinc/62/52/04/570625204.db2.gz	SVFMCVASAZYPCO-RPGBBNPCSA-N	-1	0	371.439	4.248	40	10		FICBRM
CC(=Nc1ncccc1C)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000103916877	570772319	/nfs/dbraw/zinc/77/23/19/570772319.db2.gz	UDAJGUBRGFZQCY-VBKFSLOCSA-N	-1	0	363.446	4.108	40	10		FICBRM
O=S(=O)([N-]c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1Cl	ZINC000041105580	571096964	/nfs/dbraw/zinc/09/69/64/571096964.db2.gz	UOKNXMVDAMIKRJ-UHFFFAOYSA-N	-1	0	352.626	4.153	40	10		FICBRM
Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccc(Cl)cc2)S1	ZINC000054164376	571113935	/nfs/dbraw/zinc/11/39/35/571113935.db2.gz	QBHOXDACAOEAQE-NVNXTCNLSA-N	-1	0	372.833	4.429	40	10		FICBRM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000101141468	222263641	/nfs/dbraw/zinc/26/36/41/222263641.db2.gz	YQFUFYAAGTVVII-GDNBJRDFSA-N	-1	0	370.796	4.275	40	10		FICBRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000005371616	570624407	/nfs/dbraw/zinc/62/44/07/570624407.db2.gz	YAFWGLLIMMGEQH-MDWZMJQESA-N	-1	0	361.469	4.161	40	10		FICBRM
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000409155833	570733709	/nfs/dbraw/zinc/73/37/09/570733709.db2.gz	DGOLNROAEJLABN-HBUWYVDXSA-N	-1	0	366.373	4.128	40	10		FICBRM
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140435	571356051	/nfs/dbraw/zinc/35/60/51/571356051.db2.gz	OAAIBDPWPXBPSC-HLIPFELVSA-N	-1	0	363.413	4.388	40	10		FICBRM
Cc1cccc(NC2=NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)S2)c1C	ZINC000016906091	220197246	/nfs/dbraw/zinc/19/72/46/220197246.db2.gz	QLJNWUNTJRYZRB-MHWRWJLKSA-N	-1	0	352.415	4.084	40	10		FICBRM
O=S(=O)([N-]c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	ZINC000057690622	221091355	/nfs/dbraw/zinc/09/13/55/221091355.db2.gz	LIRWRIWAWJDGEU-UHFFFAOYSA-N	-1	0	350.852	4.264	40	10		FICBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000100148027	222237559	/nfs/dbraw/zinc/23/75/59/222237559.db2.gz	HFIHPFZWNMGNKR-CPNJWEJPSA-N	-1	0	372.380	4.451	40	10		FICBRM
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C	ZINC000001436355	570499843	/nfs/dbraw/zinc/49/98/43/570499843.db2.gz	HHPPJQJSWLOBNU-CPNJWEJPSA-N	-1	0	372.428	4.001	40	10		FICBRM
CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)SC1=S	ZINC000409383492	570754495	/nfs/dbraw/zinc/75/44/95/570754495.db2.gz	YVCKHQKQRMMRBN-DHDCSXOGSA-N	-1	0	373.455	4.174	40	10		FICBRM
Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccccc2Cl)S1	ZINC000054164374	571113894	/nfs/dbraw/zinc/11/38/94/571113894.db2.gz	SNQFRBGXFAWSLI-DHDCSXOGSA-N	-1	0	372.833	4.429	40	10		FICBRM
CC(c1c(C)[n-]n(-c2ccccc2)c1=O)=C1C(C)=NN(c2ccccc2)C1=O	ZINC000016249342	220180857	/nfs/dbraw/zinc/18/08/57/220180857.db2.gz	MGAFLHCRSZKJKT-ZHZULCJRSA-N	-1	0	372.428	4.083	40	10		FICBRM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)c1	ZINC000223675656	568697440	/nfs/dbraw/zinc/69/74/40/568697440.db2.gz	BZZRJRKUJPULQQ-UHFFFAOYSA-N	-1	0	365.454	4.335	40	10		FICBRM
Cc1cccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000005373357	570624681	/nfs/dbraw/zinc/62/46/81/570624681.db2.gz	QYSTWDWRONETMW-GDNBJRDFSA-N	-1	0	355.440	4.099	40	10		FICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)cc1C	ZINC000005601501	570631667	/nfs/dbraw/zinc/63/16/67/570631667.db2.gz	PVXNQYFXLYCZSS-DEDYPNTBSA-N	-1	0	370.408	4.123	40	10		FICBRM
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000409155834	570733810	/nfs/dbraw/zinc/73/38/10/570733810.db2.gz	DGOLNROAEJLABN-QWQRMKEZSA-N	-1	0	366.373	4.128	40	10		FICBRM
CC(=Nc1cc([N+](=O)[O-])ccc1C)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000112118248	570810791	/nfs/dbraw/zinc/81/07/91/570810791.db2.gz	YHGXKMWXBQZGFU-PDGQHHTCSA-N	-1	0	368.368	4.151	40	10		FICBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(C)c1O	ZINC000038183056	571309799	/nfs/dbraw/zinc/30/97/99/571309799.db2.gz	OFQMBBGSQSQSFT-OQLLNIDSSA-N	-1	0	370.792	4.169	40	10		FICBRM
O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/C=C/c1ccccc1	ZINC000001084633	219367292	/nfs/dbraw/zinc/36/72/92/219367292.db2.gz	CBQKQCKEKIZUQT-CUJDEGIUSA-N	-1	0	359.212	4.011	40	10		FICBRM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cc(C(=O)[O-])ccc1C	ZINC000016347101	220182419	/nfs/dbraw/zinc/18/24/19/220182419.db2.gz	GVLDOOVUCWVYTM-YBEGLDIGSA-N	-1	0	369.808	4.065	40	10		FICBRM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2ccc(Cl)cc2)S1	ZINC000020227017	220319854	/nfs/dbraw/zinc/31/98/54/220319854.db2.gz	DWZMPSLAOPMKHA-ZROIWOOFSA-N	-1	0	358.806	4.121	40	10		FICBRM
Cc1ccc(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)cc1	ZINC000054164260	263409694	/nfs/dbraw/zinc/40/96/94/263409694.db2.gz	YRAGUEUBEXCNND-SXGWCWSVSA-N	-1	0	352.415	4.084	40	10		FICBRM
Cc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)o1	ZINC000005371578	570624432	/nfs/dbraw/zinc/62/44/32/570624432.db2.gz	JJUXJQZMSFWJBX-RIYZIHGNSA-N	-1	0	359.428	4.000	40	10		FICBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	ZINC000005371907	570624687	/nfs/dbraw/zinc/62/46/87/570624687.db2.gz	DNKLPXZPFSYRNC-VWLVURMCSA-N	-1	0	369.895	4.185	40	10		FICBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1C(=O)[O-]	ZINC000005374172	570625182	/nfs/dbraw/zinc/62/51/82/570625182.db2.gz	BDXWOFPVPOBUHM-NVNXTCNLSA-N	-1	0	373.430	4.238	40	10		FICBRM
N=N[C@@H]1SC(=O)N=C1N1N=C(c2ccccc2)C[C@H]1c1ccccc1O	ZINC000138936472	570628514	/nfs/dbraw/zinc/62/85/14/570628514.db2.gz	RTZOIMLACWGFTP-WMLDXEAASA-N	-1	0	365.418	4.166	40	10		FICBRM
CCOC(=O)c1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409164747	570734682	/nfs/dbraw/zinc/73/46/82/570734682.db2.gz	NGFUIWGLLLBXRY-TYILLQQXSA-N	-1	0	363.413	4.388	40	10		FICBRM
COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409169229	570735109	/nfs/dbraw/zinc/73/51/09/570735109.db2.gz	OXCRDQVTOYDOEO-JZKQVHKSSA-N	-1	0	363.413	4.306	40	10		FICBRM
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004151421	570772880	/nfs/dbraw/zinc/77/28/80/570772880.db2.gz	IVIBYCHONCKDIH-DAYGRLMNSA-N	-1	0	366.373	4.128	40	10		FICBRM
CC(=Nc1cc([N+](=O)[O-])ccc1C)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112114334	570810211	/nfs/dbraw/zinc/81/02/11/570810211.db2.gz	BUCZILVTZZROIA-AQTBWJFISA-N	-1	0	350.378	4.012	40	10		FICBRM
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000001461856	571115140	/nfs/dbraw/zinc/11/51/40/571115140.db2.gz	OAAIBDPWPXBPSC-MBOZVWFJSA-N	-1	0	363.413	4.388	40	10		FICBRM
O=S(=O)([O-])c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	ZINC000003845323	570568338	/nfs/dbraw/zinc/56/83/38/570568338.db2.gz	KAAXMMCHVASFDE-UHFFFAOYSA-N	-1	0	360.394	4.336	40	10		FICBRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000005371110	570624439	/nfs/dbraw/zinc/62/44/39/570624439.db2.gz	ZRZGSTGCDFXMEX-DHDCSXOGSA-N	-1	0	355.440	4.099	40	10		FICBRM
Cc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000005373435	570624668	/nfs/dbraw/zinc/62/46/68/570624668.db2.gz	XLZODVCJINYNHZ-QZFKAFNDSA-N	-1	0	369.467	4.022	40	10		FICBRM
COc1ccc(OC)c(-n2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)c1	ZINC000408941459	570701597	/nfs/dbraw/zinc/70/15/97/570701597.db2.gz	DQSDFWMZDDUKSY-UHFFFAOYSA-N	-1	0	365.429	4.487	40	10		FICBRM