smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1cc(CN2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)cn1	ZINC000072421478	541809046	/nfs/dbraw/zinc/80/90/46/541809046.db2.gz	DAUWJSYIYBDCIX-UHFFFAOYSA-N	-1	1	357.458	2.465	50	30		FEEAMM
[O-]/N=C(\c1ccccc1)C12C3[C@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2	ZINC000004617502	204150495	/nfs/dbraw/zinc/15/04/95/204150495.db2.gz	WTEAORZRLOVQJG-LUYJNLGMSA-N	-1	1	374.234	2.493	50	30		FEEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccccc2)cc1	ZINC000017249585	204653014	/nfs/dbraw/zinc/65/30/14/204653014.db2.gz	SLSADYNITBXPOO-QGZVFWFLSA-N	-1	1	367.357	2.358	50	30		FEEAMM
COc1ccc(N2C[C@@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2=O)cc1	ZINC000026251540	539781510	/nfs/dbraw/zinc/78/15/10/539781510.db2.gz	DHOPZARVVUQJTO-QMMMGPOBSA-N	-1	1	369.303	2.473	50	30		FEEAMM
C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3nnn[n-]3)c(C)c12	ZINC000009135171	203851783	/nfs/dbraw/zinc/85/17/83/203851783.db2.gz	CKFAVXXOPAPWMC-UHFFFAOYSA-N	-1	1	369.381	2.059	50	30		FEEAMM
C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3nn[n-]n3)c(C)c12	ZINC000009135171	203851785	/nfs/dbraw/zinc/85/17/85/203851785.db2.gz	CKFAVXXOPAPWMC-UHFFFAOYSA-N	-1	1	369.381	2.059	50	30		FEEAMM
C=CCN1C(=O)C(=CNc2ccc(N(CC)CC)cc2)C(=O)[N-]C1=S	ZINC000005024879	539400303	/nfs/dbraw/zinc/40/03/03/539400303.db2.gz	ZMEZNYYNIZZVBV-NTCAYCPXSA-N	-1	1	358.467	2.258	50	30		FEEAMM
Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCCN(Cc2cccs2)CC1	ZINC000072478363	541820251	/nfs/dbraw/zinc/82/02/51/541820251.db2.gz	TXWGFAKCVRSYEB-UHFFFAOYSA-N	-1	1	356.451	2.377	50	30		FEEAMM
N=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000004091013	204120877	/nfs/dbraw/zinc/12/08/77/204120877.db2.gz	XPNQUVNMEOCANK-AWEZNQCLSA-N	-1	1	369.402	2.396	50	30		FEEAMM
CCOc1cc(C#N)ccc1OCC(=O)Nn1c(C2CC2)n[n-]c1=S	ZINC000009313752	204361581	/nfs/dbraw/zinc/36/15/81/204361581.db2.gz	GQJFJPRPVVDNIJ-UHFFFAOYSA-N	-1	1	359.411	2.238	50	30		FEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)c(OC)c1)CC(=O)N2	ZINC000009088147	539497666	/nfs/dbraw/zinc/49/76/66/539497666.db2.gz	ZOAXMCNAHWDQDZ-JTQLQIEISA-N	-1	1	357.391	2.096	50	30		FEEAMM
C=CCc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1OC	ZINC000017044431	539638239	/nfs/dbraw/zinc/63/82/39/539638239.db2.gz	LZKKDNYOIUBJER-VOTSOKGWSA-N	-1	1	359.338	2.300	50	30		FEEAMM
COc1cc(C=NNc2nc(C)cc(=O)[n-]2)cc(Br)c1O	ZINC000031776168	539918938	/nfs/dbraw/zinc/91/89/38/539918938.db2.gz	APMXMHRAYCRRIF-UUASQNMZSA-N	-1	1	353.176	2.001	50	30		FEEAMM
N#Cc1ccc([O-])c(-c2cccc(C(=O)N3CCN(CCCO)CC3)c2)c1	ZINC000426474284	571322140	/nfs/dbraw/zinc/32/21/40/571322140.db2.gz	NWWDYZVJCFFETI-UHFFFAOYSA-N	-1	1	365.433	2.071	50	30		FEEAMM
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(OCC)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000004908902	539395609	/nfs/dbraw/zinc/39/56/09/539395609.db2.gz	XQFSBGIWVHRTNS-KNBMTAEXSA-N	-1	1	372.421	2.298	50	30		FEEAMM
C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)C(=O)[N-]C1=S	ZINC000005061569	539401136	/nfs/dbraw/zinc/40/11/36/539401136.db2.gz	YNDRQSJWJKTOFC-FLIBITNWSA-N	-1	1	351.225	2.262	50	30		FEEAMM
C/C(=N\N=C1\NC(=O)C(CC(=O)[O-])S1)c1ccc(Br)cc1	ZINC000004709246	204157962	/nfs/dbraw/zinc/15/79/62/204157962.db2.gz	BTWUVWNJCQXANQ-NPVNMOQSSA-N	-1	1	370.228	2.235	50	30		FEEAMM
CCOc1ccccc1C(=O)NCC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000036744263	205020970	/nfs/dbraw/zinc/02/09/70/205020970.db2.gz	JKKQJPFGTDHSQL-UHFFFAOYSA-N	-1	1	357.292	2.240	50	30		FEEAMM
O=C([O-])CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F	ZINC000004311649	206173838	/nfs/dbraw/zinc/17/38/38/206173838.db2.gz	XVWCAEMLHDZFLM-INIZCTEOSA-N	-1	1	355.321	2.489	50	30		FEEAMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OCC)c2)C(=O)[N-]C1=S	ZINC000001201235	539340232	/nfs/dbraw/zinc/34/02/32/539340232.db2.gz	JJFXYLSJFUTTLN-UXBLZVDNSA-N	-1	1	366.826	2.257	50	30		FEEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCC)cc2OCC)C(=O)[N-]C1=S	ZINC000001201533	539340295	/nfs/dbraw/zinc/34/02/95/539340295.db2.gz	QNZYGZCNZOASEL-GXDHUFHOSA-N	-1	1	360.435	2.297	50	30		FEEAMM
O=S(=O)([O-])c1ccc(N=NC(N=Nc2nn[nH]n2)c2ccccc2)cc1	ZINC000008934380	204349065	/nfs/dbraw/zinc/34/90/65/204349065.db2.gz	MUDIQZWOZHISQS-HPHQGHHHSA-N	-1	1	372.370	2.004	50	30		FEEAMM
COc1ccc(C=CC(=O)c2c(=O)[nH]c(=O)n(-c3ccccc3)c2[O-])cc1	ZINC000017027425	539638191	/nfs/dbraw/zinc/63/81/91/539638191.db2.gz	VBYKURYQRSGJAH-FMIVXFBMSA-N	-1	1	364.357	2.136	50	30		FEEAMM
CCCCn1c([O-])c(C(=O)C=Cc2c[nH]c3ccccc23)c(=O)[nH]c1=O	ZINC000018189387	539648106	/nfs/dbraw/zinc/64/81/06/539648106.db2.gz	QZXXZNMGLXTQJF-CMDGGOBGSA-N	-1	1	353.378	2.420	50	30		FEEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2	ZINC000040152240	540008050	/nfs/dbraw/zinc/00/80/50/540008050.db2.gz	XAWKULOODZLZNZ-UHFFFAOYSA-N	-1	1	351.428	2.425	50	30		FEEAMM
CCCCNC([O-])=NS(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2	ZINC000040152240	540008054	/nfs/dbraw/zinc/00/80/54/540008054.db2.gz	XAWKULOODZLZNZ-UHFFFAOYSA-N	-1	1	351.428	2.425	50	30		FEEAMM
COc1ccc(C=Nn2c(C)n[n-]c2=S)cc1Cn1ccc([N+](=O)[O-])n1	ZINC000002793547	523455415	/nfs/dbraw/zinc/45/54/15/523455415.db2.gz	PAFCOZRUOBJZFQ-LZYBPNLTSA-N	-1	1	373.398	2.293	50	30		FEEAMM
COc1cc(Br)cc(C=NNc2nc(C)cc(=O)[n-]2)c1O	ZINC000007809790	539468133	/nfs/dbraw/zinc/46/81/33/539468133.db2.gz	PFBMLKAMYZTOMM-GIDUJCDVSA-N	-1	1	353.176	2.001	50	30		FEEAMM
COc1ccccc1/N=C1\NN=C(c2ccc([O-])c(C(N)=O)c2)CS1	ZINC000012643503	539569297	/nfs/dbraw/zinc/56/92/97/539569297.db2.gz	OIZZGBFCKGCZHI-UHFFFAOYSA-N	-1	1	356.407	2.228	50	30		FEEAMM
CCn1cc(C=Nn2cc([O-])c(-c3nc4ccccc4s3)c2N)c(C)n1	ZINC000013730275	539591394	/nfs/dbraw/zinc/59/13/94/539591394.db2.gz	RUVDTGCDCQYBDH-DNTJNYDQSA-N	-1	1	366.450	2.367	50	30		FEEAMM
N#CCSc1nnc(NN=Cc2cc(Br)ccc2O)[n-]1	ZINC000020435670	539675175	/nfs/dbraw/zinc/67/51/75/539675175.db2.gz	MIEJCVDCTNJTGM-MKMNVTDBSA-N	-1	1	353.205	2.334	50	30		FEEAMM
CCCCn1c([O-])c(C(=O)C=Cc2ccc(OCC)cc2)c(=O)[nH]c1=O	ZINC000009334801	207267341	/nfs/dbraw/zinc/26/73/41/207267341.db2.gz	KLTSQGQBBKDFFQ-DHZHZOJOSA-N	-1	1	358.394	2.337	50	30		FEEAMM
N=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000019368515	539656301	/nfs/dbraw/zinc/65/63/01/539656301.db2.gz	XPNQUVNMEOCANK-CQSZACIVSA-N	-1	1	369.402	2.396	50	30		FEEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1	ZINC000024578255	539734606	/nfs/dbraw/zinc/73/46/06/539734606.db2.gz	JSUPKQOIQADBBW-UHFFFAOYSA-N	-1	1	353.407	2.435	50	30		FEEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCC3=O)cc2)c1	ZINC000028254978	539828741	/nfs/dbraw/zinc/82/87/41/539828741.db2.gz	OWTKGILSIHVJLE-UHFFFAOYSA-N	-1	1	369.402	2.008	50	30		FEEAMM
Cc1nc(-c2ccccc2)sc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000058099042	540829317	/nfs/dbraw/zinc/82/93/17/540829317.db2.gz	CUFCPEGKAVHYCQ-UHFFFAOYSA-N	-1	1	363.424	2.276	50	30		FEEAMM
Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000058099042	540829321	/nfs/dbraw/zinc/82/93/21/540829321.db2.gz	CUFCPEGKAVHYCQ-UHFFFAOYSA-N	-1	1	363.424	2.276	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1C)CC(=O)N2	ZINC000046074399	570924243	/nfs/dbraw/zinc/92/42/43/570924243.db2.gz	ZYCWQTZUUNWFST-LLVKDONJSA-N	-1	1	370.434	2.421	50	30		FEEAMM
C=CCN1C(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)[N-]C1=S	ZINC000004674926	539389196	/nfs/dbraw/zinc/38/91/96/539389196.db2.gz	VTZVHPVLXBTBMZ-RAXLEYEMSA-N	-1	1	359.426	2.239	50	30		FEEAMM
C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2O)C(=O)[N-]C1=S	ZINC000013381876	539586956	/nfs/dbraw/zinc/58/69/56/539586956.db2.gz	LAIRTJYTOZPPED-UVTDQMKNSA-N	-1	1	359.451	2.051	50	30		FEEAMM
C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(Cc1ccccc1C#N)CC2	ZINC000091847260	209000333	/nfs/dbraw/zinc/00/03/33/209000333.db2.gz	PPSXHWODTYVXDZ-HNNXBMFYSA-N	-1	1	355.438	2.236	50	30		FEEAMM
N/C(=N\[O-])[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1	ZINC000014808431	539605970	/nfs/dbraw/zinc/60/59/70/539605970.db2.gz	IDYZUBHGSVWMGH-AWEZNQCLSA-N	-1	1	367.814	2.043	50	30		FEEAMM
C=CCOc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1OCC	ZINC000055154898	540631294	/nfs/dbraw/zinc/63/12/94/540631294.db2.gz	IGTUFHGBINKNPE-UHFFFAOYSA-N	-1	1	357.414	2.183	50	30		FEEAMM
C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(Cc1ccccc1C#N)CC2	ZINC000091847263	209000017	/nfs/dbraw/zinc/00/00/17/209000017.db2.gz	PPSXHWODTYVXDZ-OAHLLOKOSA-N	-1	1	355.438	2.236	50	30		FEEAMM
C=CCOc1cc(N(CC)CC)ccc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000002091622	539344723	/nfs/dbraw/zinc/34/47/23/539344723.db2.gz	LTUGHAGPPSAMSO-UHFFFAOYSA-N	-1	1	359.451	2.012	50	30		FEEAMM
CC(=O)C1C(=O)C(=O)N(CCC(=O)[O-])[C@@H]1c1ccc(Br)cc1	ZINC000004126036	539377367	/nfs/dbraw/zinc/37/73/67/539377367.db2.gz	KTEOAONWEVUWBG-CYBMUJFWSA-N	-1	1	368.183	2.208	50	30		FEEAMM
Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1N=Cc1cc(Cl)ccc1O	ZINC000013730242	539591618	/nfs/dbraw/zinc/59/16/18/539591618.db2.gz	RGCVKTRXYPMGAN-ODCIPOBUSA-N	-1	1	367.796	2.468	50	30		FEEAMM
Cc1cccc2c(=O)n(CC(=O)Nc3n[n-]c(C(F)(F)F)n3)cnc12	ZINC000026253436	539781088	/nfs/dbraw/zinc/78/10/88/539781088.db2.gz	NJMWOYIIQMOFRU-UHFFFAOYSA-N	-1	1	352.276	2.130	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1C)CC(=O)N2	ZINC000046074403	570924339	/nfs/dbraw/zinc/92/43/39/570924339.db2.gz	ZYCWQTZUUNWFST-NSHDSACASA-N	-1	1	370.434	2.421	50	30		FEEAMM
CCCc1cc(=O)[n-]c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)n1	ZINC000028679189	539835007	/nfs/dbraw/zinc/83/50/07/539835007.db2.gz	CBBAIHJCKBWKAT-HNNXBMFYSA-N	-1	1	354.435	2.492	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2	ZINC000046074443	570924155	/nfs/dbraw/zinc/92/41/55/570924155.db2.gz	VKUNWUPCBBQAMP-NSHDSACASA-N	-1	1	374.397	2.252	50	30		FEEAMM
NC(=S)NN=Cc1cc(Br)c(O)c(Br)c1[O-]	ZINC000001806156	539343402	/nfs/dbraw/zinc/34/34/02/539343402.db2.gz	UTJSDBUUDHPLQY-UHFFFAOYSA-N	-1	1	369.038	2.411	50	30		FEEAMM
Cc1ccc2nc(C(C#N)=C3[N-]S(=O)(=O)c4ccccc43)[nH]c(=O)c2c1	ZINC000005072492	539401437	/nfs/dbraw/zinc/40/14/37/539401437.db2.gz	JXSROSMRSJJXSD-CYBMUJFWSA-N	-1	1	364.386	2.443	50	30		FEEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCC3=O)cc2)cc1	ZINC000028254984	539828935	/nfs/dbraw/zinc/82/89/35/539828935.db2.gz	GYCHNNWKQHXRGT-UHFFFAOYSA-N	-1	1	369.402	2.008	50	30		FEEAMM
COc1ccc2[n-]cc(S(=O)(=O)c3ccc(C#N)c(F)c3)c(=O)c2c1	ZINC000015828964	211145092	/nfs/dbraw/zinc/14/50/92/211145092.db2.gz	RNKPRMVMGMDYMM-UHFFFAOYSA-N	-1	1	358.350	2.380	50	30		FEEAMM
COc1ccc2ncc(S(=O)(=O)c3ccc(C#N)c(F)c3)c([O-])c2c1	ZINC000015828964	211145100	/nfs/dbraw/zinc/14/51/00/211145100.db2.gz	RNKPRMVMGMDYMM-UHFFFAOYSA-N	-1	1	358.350	2.380	50	30		FEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)c(OCC)c1)CC(=O)N2	ZINC000021784150	210155356	/nfs/dbraw/zinc/15/53/56/210155356.db2.gz	ZWVJCGDTTBJXHZ-LLVKDONJSA-N	-1	1	371.418	2.074	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C(C(=O)OC)=C(C)N2	ZINC000004292275	210103464	/nfs/dbraw/zinc/10/34/64/210103464.db2.gz	GTHNEOOWZXFFLW-ZDUSSCGKSA-N	-1	1	370.434	2.447	50	30		FEEAMM
O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000051266595	540428336	/nfs/dbraw/zinc/42/83/36/540428336.db2.gz	WEXVJVACVMIUJF-UHFFFAOYSA-N	-1	1	364.287	2.335	50	30		FEEAMM
O=C([O-])COc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccncc1	ZINC000001257750	210339885	/nfs/dbraw/zinc/33/98/85/210339885.db2.gz	JVXVXFKGPWYHQT-GIJQJNRQSA-N	-1	1	355.379	2.348	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000111968856	571145161	/nfs/dbraw/zinc/14/51/61/571145161.db2.gz	MDDUUYOKOJMPET-SNVBAGLBSA-N	-1	1	358.379	2.430	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(O)c1)CC(=O)N2	ZINC000075345998	210066913	/nfs/dbraw/zinc/06/69/13/210066913.db2.gz	WJTCTXWDDXNKID-JTQLQIEISA-N	-1	1	359.407	2.236	50	30		FEEAMM
O=C(C=Cc1ccccc1)c1c(=O)[nH]c(=O)n(CCc2ccccc2)c1[O-]	ZINC000013120479	211024999	/nfs/dbraw/zinc/02/49/99/211024999.db2.gz	NFFLWDBVPXOLBO-VAWYXSNFSA-N	-1	1	362.385	2.381	50	30		FEEAMM
CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1	ZINC000091707985	542821132	/nfs/dbraw/zinc/82/11/32/542821132.db2.gz	OGQWYALFKQYKQW-LJQANCHMSA-N	-1	1	357.410	2.218	50	30		FEEAMM
CCCCCCCCN1C(=O)C(=CNCCCOC)C(=O)[N-]C1=S	ZINC000103009921	543088148	/nfs/dbraw/zinc/08/81/48/543088148.db2.gz	KTOHZLMIVGIJLO-YPKPFQOOSA-N	-1	1	355.504	2.100	50	30		FEEAMM
CC(=O)C1C(=O)C(=O)N(CCC(=O)[O-])[C@H]1c1ccc(Br)cc1	ZINC000004126037	539377284	/nfs/dbraw/zinc/37/72/84/539377284.db2.gz	KTEOAONWEVUWBG-ZDUSSCGKSA-N	-1	1	368.183	2.208	50	30		FEEAMM
O=C([O-])c1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	ZINC000004739410	539391639	/nfs/dbraw/zinc/39/16/39/539391639.db2.gz	IDJARYAGKBNGHJ-FVOVHSBVSA-N	-1	1	367.386	2.151	50	30		FEEAMM
C=CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC	ZINC000009324299	210136347	/nfs/dbraw/zinc/13/63/47/210136347.db2.gz	YMYATQGYPUWRMP-UXBLZVDNSA-N	-1	1	366.826	2.170	50	30		FEEAMM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(C#N)cc2)c1OC	ZINC000072306292	541798375	/nfs/dbraw/zinc/79/83/75/541798375.db2.gz	XCSVXIBSZSABNJ-UHFFFAOYSA-N	-1	1	362.363	2.074	50	30		FEEAMM
CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000014097527	220106423	/nfs/dbraw/zinc/10/64/23/220106423.db2.gz	WRTMUOTXMLZTFV-UHFFFAOYSA-N	-1	1	350.421	2.153	50	30		FEEAMM
CN(C)c1ccc(N=Cc2c([O-])n(-c3ccc(F)cc3)c(=O)[nH]c2=O)cc1	ZINC000101574586	570821485	/nfs/dbraw/zinc/82/14/85/570821485.db2.gz	VKECTNBRWFXAFH-SRZZPIQSSA-N	-1	1	368.368	2.187	50	30		FEEAMM
C=CCN1C(=O)/C(=C\c2cccc(Br)c2)C(=O)[N-]C1=S	ZINC000004742227	539391214	/nfs/dbraw/zinc/39/12/14/539391214.db2.gz	OLTFBRRYGHIHRO-FLIBITNWSA-N	-1	1	351.225	2.262	50	30		FEEAMM
COc1ccc(N2C[C@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2=O)cc1	ZINC000026251547	539781630	/nfs/dbraw/zinc/78/16/30/539781630.db2.gz	DHOPZARVVUQJTO-MRVPVSSYSA-N	-1	1	369.303	2.473	50	30		FEEAMM
O=C([O-])COc1ccccc1C=Nn1c(=S)[nH]nc1-c1cccnc1	ZINC000001240135	219392567	/nfs/dbraw/zinc/39/25/67/219392567.db2.gz	OVWYEDLENAASJY-GIJQJNRQSA-N	-1	1	355.379	2.348	50	30		FEEAMM
O=[N+]([O-])c1cccc(CN=Nc2ccc3nnc(C(F)(F)F)n3n2)c1[O-]	ZINC000036024539	539984731	/nfs/dbraw/zinc/98/47/31/539984731.db2.gz	DPXGUHGQKDAQQN-UBKPWBPPSA-N	-1	1	367.247	2.203	50	30		FEEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccccn2)s1	ZINC000102740951	222307007	/nfs/dbraw/zinc/30/70/07/222307007.db2.gz	KVBVJFOBTVMYFZ-MNWMYKRDSA-N	-1	1	368.374	2.461	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2	ZINC000046074393	570924307	/nfs/dbraw/zinc/92/43/07/570924307.db2.gz	HCHOQNDTUPYFHW-NSHDSACASA-N	-1	1	356.407	2.113	50	30		FEEAMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc2sc1=O	ZINC000001425217	539341709	/nfs/dbraw/zinc/34/17/09/539341709.db2.gz	MMTGOWDXTWGUTJ-UHFFFAOYSA-N	-1	1	359.432	2.467	50	30		FEEAMM
Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000097301335	222173518	/nfs/dbraw/zinc/17/35/18/222173518.db2.gz	FWVOODNTQHRWBH-UHFFFAOYSA-N	-1	1	361.405	2.281	50	30		FEEAMM
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(CC)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000004908881	539395822	/nfs/dbraw/zinc/39/58/22/539395822.db2.gz	QAXDOHCZUUIXCB-KNBMTAEXSA-N	-1	1	356.422	2.462	50	30		FEEAMM
CCOc1cc(C=Nn2c(=O)cn[n-]c2=S)cc(Br)c1O	ZINC000005181942	539404752	/nfs/dbraw/zinc/40/47/52/539404752.db2.gz	GXKUOQIBJUYHMU-PJQLUOCWSA-N	-1	1	371.216	2.050	50	30		FEEAMM
N#Cc1ccc(NCCNC(=O)c2cc(Br)ccc2[O-])nc1	ZINC000012974953	220047134	/nfs/dbraw/zinc/04/71/34/220047134.db2.gz	AZPODVWFKSNPBJ-UHFFFAOYSA-N	-1	1	361.199	2.263	50	30		FEEAMM
C=CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)[N-]C1=O	ZINC000100642399	222249349	/nfs/dbraw/zinc/24/93/49/222249349.db2.gz	AQEUNUMFCNNMOF-FLIBITNWSA-N	-1	1	358.448	2.090	50	30		FEEAMM
CCOc1ccc(CNC(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000002399641	520967229	/nfs/dbraw/zinc/96/72/29/520967229.db2.gz	GBXQWOPOQSMMSM-UHFFFAOYSA-N	-1	1	364.423	2.486	50	30		FEEAMM
CCOc1ccc(CNC([O-])=NS(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000002399641	520967237	/nfs/dbraw/zinc/96/72/37/520967237.db2.gz	GBXQWOPOQSMMSM-UHFFFAOYSA-N	-1	1	364.423	2.486	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C)cc1)CC(=O)N2	ZINC000046074405	570924325	/nfs/dbraw/zinc/92/43/25/570924325.db2.gz	HEWDDHUIWKGIOB-GFCCVEGCSA-N	-1	1	370.434	2.421	50	30		FEEAMM
O=C([O-])CC1S/C(=N/N=C2c3ccccc3-c3ccccc32)NC1=O	ZINC000006229477	539424078	/nfs/dbraw/zinc/42/40/78/539424078.db2.gz	MCASIHBQXAUEIZ-AWEZNQCLSA-N	-1	1	351.387	2.482	50	30		FEEAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)n1	ZINC000018190044	539647989	/nfs/dbraw/zinc/64/79/89/539647989.db2.gz	HWEMAHGBUUUNIM-UHFFFAOYSA-N	-1	1	373.394	2.233	50	30		FEEAMM
C#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000017797785	220217635	/nfs/dbraw/zinc/21/76/35/220217635.db2.gz	MRKMFIBJFSWZGO-UHFFFAOYSA-N	-1	1	373.390	2.067	50	30		FEEAMM
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2[O-])cc1CN1CCOCC1	ZINC000019850662	220302371	/nfs/dbraw/zinc/30/23/71/220302371.db2.gz	CJZSBUJKCKLZKO-LJQANCHMSA-N	-1	1	369.421	2.483	50	30		FEEAMM
CCCC(=O)N(Cc1ccc(C#N)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000101878160	543048054	/nfs/dbraw/zinc/04/80/54/543048054.db2.gz	YXLXXFSRGGCGJY-UHFFFAOYSA-N	-1	1	364.409	2.239	50	30		FEEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)NCCCNC(=O)OC(C)(C)C)cc1	ZINC000003078872	525483110	/nfs/dbraw/zinc/48/31/10/525483110.db2.gz	AYRRWVJVMUGXQC-UHFFFAOYSA-N	-1	1	371.459	2.102	50	30		FEEAMM
Cc1ccc(S(=O)(=O)N=C([O-])NCCCNC(=O)OC(C)(C)C)cc1	ZINC000003078872	525483122	/nfs/dbraw/zinc/48/31/22/525483122.db2.gz	AYRRWVJVMUGXQC-UHFFFAOYSA-N	-1	1	371.459	2.102	50	30		FEEAMM
CCCN1C(=O)C(=CNc2sc3c(c2C#N)CCC3)C(=O)[N-]C1=S	ZINC000105490493	570872859	/nfs/dbraw/zinc/87/28/59/570872859.db2.gz	ATXMFDQYEMNMMB-DHZHZOJOSA-N	-1	1	360.464	2.058	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000111970985	571145149	/nfs/dbraw/zinc/14/51/49/571145149.db2.gz	RKJACPKJEUQZCX-LLVKDONJSA-N	-1	1	358.379	2.430	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C(C(=O)OC)=C(C)N2	ZINC000004292277	539381883	/nfs/dbraw/zinc/38/18/83/539381883.db2.gz	LUEPBVGZKGMYMO-ZDUSSCGKSA-N	-1	1	370.434	2.447	50	30		FEEAMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(OC)c1OCC	ZINC000004598871	539388939	/nfs/dbraw/zinc/38/89/39/539388939.db2.gz	ZFUGOQHMOQJULM-UKTHLTGXSA-N	-1	1	360.435	2.079	50	30		FEEAMM
C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)C(=O)[N-]C1=S	ZINC000004723757	539391602	/nfs/dbraw/zinc/39/16/02/539391602.db2.gz	JOMAKXRNNYHZOJ-UXBLZVDNSA-N	-1	1	366.826	2.170	50	30		FEEAMM
O=C([O-])CC1S/C(=N/N=C2c3ccccc3-c3ccccc32)NC1=O	ZINC000006229478	539423640	/nfs/dbraw/zinc/42/36/40/539423640.db2.gz	MCASIHBQXAUEIZ-CQSZACIVSA-N	-1	1	351.387	2.482	50	30		FEEAMM
C=CCn1c(Cc2csc(NC(=O)c3cnccn3)n2)n[n-]c1=S	ZINC000012823670	539575793	/nfs/dbraw/zinc/57/57/93/539575793.db2.gz	GWSQUDIUXQHCHT-UHFFFAOYSA-N	-1	1	359.440	2.216	50	30		FEEAMM
N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1N	ZINC000024578248	539734673	/nfs/dbraw/zinc/73/46/73/539734673.db2.gz	BCHPILBLSYDFBT-UHFFFAOYSA-N	-1	1	357.370	2.266	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2	ZINC000046074445	570924114	/nfs/dbraw/zinc/92/41/14/570924114.db2.gz	VKUNWUPCBBQAMP-LLVKDONJSA-N	-1	1	374.397	2.252	50	30		FEEAMM
CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2ccccc2[N+](=O)[O-])n1	ZINC000008915257	521694837	/nfs/dbraw/zinc/69/48/37/521694837.db2.gz	VOKSRYWLDVWSOU-UHFFFAOYSA-N	-1	1	370.774	2.468	50	30		FEEAMM
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(OCC)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000004908892	539395634	/nfs/dbraw/zinc/39/56/34/539395634.db2.gz	XQFSBGIWVHRTNS-RIFZZMRRSA-N	-1	1	372.421	2.298	50	30		FEEAMM
C=CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OCC)c2)C(=O)[N-]C1=S	ZINC000015012426	539609170	/nfs/dbraw/zinc/60/91/70/539609170.db2.gz	JJFXYLSJFUTTLN-POHAHGRESA-N	-1	1	366.826	2.257	50	30		FEEAMM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)ccc21	ZINC000029967247	539870788	/nfs/dbraw/zinc/87/07/88/539870788.db2.gz	QMYWPKHZPUOMRX-UHFFFAOYSA-N	-1	1	355.419	2.462	50	30		FEEAMM
O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000095476872	542973231	/nfs/dbraw/zinc/97/32/31/542973231.db2.gz	NNHHGFFNSBSDQI-UHFFFAOYSA-N	-1	1	370.316	2.397	50	30		FEEAMM
C[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1	ZINC000024163262	539726789	/nfs/dbraw/zinc/72/67/89/539726789.db2.gz	LOBOLXUQVQOMPB-LLVKDONJSA-N	-1	1	374.374	2.285	50	30		FEEAMM
O=C(CCn1cnc2ccccc2c1=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000026252924	539781579	/nfs/dbraw/zinc/78/15/79/539781579.db2.gz	UGIZGQQFGOLWSQ-UHFFFAOYSA-N	-1	1	352.276	2.212	50	30		FEEAMM
CC(=O)Nc1nnc(S(=O)(=O)Cc2ccc(Br)cc2)[n-]1	ZINC000033114968	539969099	/nfs/dbraw/zinc/96/90/99/539969099.db2.gz	BXGBCLHAKDIDEC-UHFFFAOYSA-N	-1	1	359.205	2.149	50	30		FEEAMM
CC(=O)Nc1nc(S(=O)(=O)Cc2ccc(Br)cc2)n[n-]1	ZINC000033114968	539969095	/nfs/dbraw/zinc/96/90/95/539969095.db2.gz	BXGBCLHAKDIDEC-UHFFFAOYSA-N	-1	1	359.205	2.149	50	30		FEEAMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C#N)c(F)cc1F	ZINC000024428290	539730547	/nfs/dbraw/zinc/73/05/47/539730547.db2.gz	DWULSHHHLPRLMS-UHFFFAOYSA-N	-1	1	352.318	2.424	50	30		FEEAMM
O=C([O-])CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1F	ZINC000102866269	205982292	/nfs/dbraw/zinc/98/22/92/205982292.db2.gz	CUNFCPWFTUMUQU-IBOXJLQUSA-N	-1	1	355.321	2.332	50	30		FEEAMM
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(CC)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000004908869	539395395	/nfs/dbraw/zinc/39/53/95/539395395.db2.gz	QAXDOHCZUUIXCB-RIFZZMRRSA-N	-1	1	356.422	2.462	50	30		FEEAMM
CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc(N)cc(=O)[n-]1	ZINC000102392440	670774474	/nfs/dbraw/zinc/77/44/74/670774474.db2.gz	NNXXIWUXEKFADU-RIYZIHGNSA-N	-1	1	356.451	2.325	50	30		FEEAMM
C=CCOc1c(Br)cc(/C=C2\NC(=S)[N-]C2=O)cc1OC	ZINC000027532022	539809501	/nfs/dbraw/zinc/80/95/01/539809501.db2.gz	DCNHERQDQMZSNG-POHAHGRESA-N	-1	1	369.240	2.368	50	30		FEEAMM
Cc1cc(Nc2ccncc2S(=O)(=O)N=C([O-])NC(C)C)ccc1O	ZINC000065743032	525307835	/nfs/dbraw/zinc/30/78/35/525307835.db2.gz	BJCCDWZGWOVSPR-UHFFFAOYSA-N	-1	1	364.427	2.440	50	30	in-vitro	FEEAMM
Cc1cc(Nc2ccncc2S(=O)([O-])=NC(=O)NC(C)C)ccc1O	ZINC000065743032	525307851	/nfs/dbraw/zinc/30/78/51/525307851.db2.gz	BJCCDWZGWOVSPR-UHFFFAOYSA-N	-1	1	364.427	2.440	50	30	in-vitro	FEEAMM
O=S(=O)([O-])c1ccc(N=NC(N=Nc2nn[nH]n2)c2ccccc2)cc1	ZINC000252679459	527261332	/nfs/dbraw/zinc/26/13/32/527261332.db2.gz	MUDIQZWOZHISQS-UHFFFAOYSA-N	-1	1	372.370	2.004	50	30		FEEAMM
O=C(CCc1nc(-c2ccncc2)no1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000026252564	539781044	/nfs/dbraw/zinc/78/10/44/539781044.db2.gz	GAXLRBKAAKASOX-UHFFFAOYSA-N	-1	1	353.264	2.489	50	30		FEEAMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(OCC)c1OC	ZINC000005872115	539418774	/nfs/dbraw/zinc/41/87/74/539418774.db2.gz	IADSRYWPLSYNEL-UKTHLTGXSA-N	-1	1	360.435	2.079	50	30		FEEAMM
COc1ccc(C=Nn2c(C)n[n-]c2=S)cc1Cn1cc([N+](=O)[O-])cn1	ZINC000002793581	523454816	/nfs/dbraw/zinc/45/48/16/523454816.db2.gz	MUFLDFOINJICBM-UBKPWBPPSA-N	-1	1	373.398	2.293	50	30		FEEAMM
O=C(CSc1nnc(NN=Cc2cccs2)[n-]1)NCc1ccco1	ZINC000020479685	527049997	/nfs/dbraw/zinc/04/99/97/527049997.db2.gz	IEXOGQRPEZDCKO-LZYBPNLTSA-N	-1	1	362.440	2.314	50	30		FEEAMM
C=CCN1C(=O)/C(=C/c2cccc(Br)c2)C(=O)[N-]C1=S	ZINC000015013124	539609431	/nfs/dbraw/zinc/60/94/31/539609431.db2.gz	OLTFBRRYGHIHRO-DHZHZOJOSA-N	-1	1	351.225	2.262	50	30		FEEAMM
COc1ccc([C@H]2Nc3ccccc3C(=O)N2[O-])cc1CN1CCOCC1	ZINC000019850665	539670253	/nfs/dbraw/zinc/67/02/53/539670253.db2.gz	CJZSBUJKCKLZKO-IBGZPJMESA-N	-1	1	369.421	2.483	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000111968859	571144875	/nfs/dbraw/zinc/14/48/75/571144875.db2.gz	MDDUUYOKOJMPET-JTQLQIEISA-N	-1	1	358.379	2.430	50	30		FEEAMM
CC(=NNc1nnc(SCC(=O)NC2CCCC2)[n-]1)c1ccccn1	ZINC000006854975	539440234	/nfs/dbraw/zinc/44/02/34/539440234.db2.gz	JUGOMLOATJINEO-JAIQZWGSSA-N	-1	1	359.459	2.187	50	30		FEEAMM
C=CCOc1ccc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OCC	ZINC000015012983	539609412	/nfs/dbraw/zinc/60/94/12/539609412.db2.gz	JYSNZXSXYDXLII-KAMYIIQDSA-N	-1	1	372.446	2.463	50	30		FEEAMM
CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2ccccc2[N+](=O)[O-])n1	ZINC000016751796	539636541	/nfs/dbraw/zinc/63/65/41/539636541.db2.gz	SMYCKZWDIFBAEO-UHFFFAOYSA-N	-1	1	356.747	2.078	50	30		FEEAMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C	ZINC000226687509	548749622	/nfs/dbraw/zinc/74/96/22/548749622.db2.gz	RHHLAWWLAWQIHZ-UHFFFAOYSA-N	-1	1	360.391	2.219	50	30		FEEAMM
CN1C(=O)C(=C([O-])C=Cc2c(Cl)cccc2Cl)C(=O)N(C)C1=O	ZINC000103483267	670784298	/nfs/dbraw/zinc/78/42/98/670784298.db2.gz	WJUWLSCVZBKFEN-VOTSOKGWSA-N	-1	1	355.177	2.242	50	30		FEEAMM
C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OC)C(=O)[N-]C1=S	ZINC000004711391	539390112	/nfs/dbraw/zinc/39/01/12/539390112.db2.gz	FNIKADNYOIAADX-RVDMUPIBSA-N	-1	1	373.478	2.354	50	30		FEEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@H]2c2ccccc2)cc1	ZINC000017249589	539640588	/nfs/dbraw/zinc/64/05/88/539640588.db2.gz	SLSADYNITBXPOO-KRWDZBQOSA-N	-1	1	367.357	2.358	50	30		FEEAMM
CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(C=O)CC1	ZINC000036353275	208158092	/nfs/dbraw/zinc/15/80/92/208158092.db2.gz	CWXRWNOQGMTIGN-KRWDZBQOSA-N	-1	1	372.425	2.312	50	30		FEEAMM
C[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1	ZINC000024163266	539727076	/nfs/dbraw/zinc/72/70/76/539727076.db2.gz	LOBOLXUQVQOMPB-NSHDSACASA-N	-1	1	374.374	2.285	50	30		FEEAMM
CCCc1cc(=O)[n-]c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)n1	ZINC000028679185	539835335	/nfs/dbraw/zinc/83/53/35/539835335.db2.gz	CBBAIHJCKBWKAT-OAHLLOKOSA-N	-1	1	354.435	2.492	50	30		FEEAMM
COc1cc(OC)c(NS(=O)(=O)c2ccc(C#N)cc2)c(C(=O)[O-])c1	ZINC000058268661	540837093	/nfs/dbraw/zinc/83/70/93/540837093.db2.gz	DMNHHZLQLVTDTD-UHFFFAOYSA-N	-1	1	362.363	2.074	50	30		FEEAMM
CNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3)ccc21	ZINC000064862429	541220180	/nfs/dbraw/zinc/22/01/80/541220180.db2.gz	CSKMLCMRQZPSAW-UHFFFAOYSA-N	-1	1	356.407	2.061	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1F)CC(=O)N2	ZINC000046074437	570924023	/nfs/dbraw/zinc/92/40/23/570924023.db2.gz	AZFJLYWTAWCOBF-VIFPVBQESA-N	-1	1	374.397	2.252	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C(C(=O)OC)=C(C)N2	ZINC000004292278	210103872	/nfs/dbraw/zinc/10/38/72/210103872.db2.gz	LUEPBVGZKGMYMO-CYBMUJFWSA-N	-1	1	370.434	2.447	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(O)c1)CC(=O)N2	ZINC000075345999	210066441	/nfs/dbraw/zinc/06/64/41/210066441.db2.gz	WJTCTXWDDXNKID-SNVBAGLBSA-N	-1	1	359.407	2.236	50	30		FEEAMM
CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1	ZINC000091707983	542821424	/nfs/dbraw/zinc/82/14/24/542821424.db2.gz	OGQWYALFKQYKQW-IBGZPJMESA-N	-1	1	357.410	2.218	50	30		FEEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccnc2)s1	ZINC000102741520	222306449	/nfs/dbraw/zinc/30/64/49/222306449.db2.gz	KEPYMBCOAUHQNV-REQDGWNSSA-N	-1	1	368.374	2.461	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C)cc1)CC(=O)N2	ZINC000046074408	570924255	/nfs/dbraw/zinc/92/42/55/570924255.db2.gz	HEWDDHUIWKGIOB-LBPRGKRZSA-N	-1	1	370.434	2.421	50	30		FEEAMM
C=CCN1C(=O)C(=Cc2ccc(OC)c(OC)c2OC)C(=O)[N-]C1=S	ZINC000001299119	210148387	/nfs/dbraw/zinc/14/83/87/210148387.db2.gz	ZWUVSDJNYIQQIM-PKNBQFBNSA-N	-1	1	362.407	2.365	50	30		FEEAMM
CCS(=O)(=O)c1ccc([O-])c(NC=C2C(=O)CC(C)(C)CC2=O)c1	ZINC000005689866	539414865	/nfs/dbraw/zinc/41/48/65/539414865.db2.gz	SWUYZULAHHPFNP-UHFFFAOYSA-N	-1	1	351.424	2.440	50	30		FEEAMM
N#CCCN(C(=O)CSc1nc(N)cc(=O)[n-]1)c1cccc(Cl)c1	ZINC000017747772	211186489	/nfs/dbraw/zinc/18/64/89/211186489.db2.gz	UVJAGLDJFLBXIT-UHFFFAOYSA-N	-1	1	363.830	2.044	50	30		FEEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccccn2)s1	ZINC000102740953	222306461	/nfs/dbraw/zinc/30/64/61/222306461.db2.gz	KVBVJFOBTVMYFZ-REQDGWNSSA-N	-1	1	368.374	2.461	50	30		FEEAMM
CC(=NNc1nnc(SCC(=O)n2nc(C)cc2C)[n-]1)c1cccnc1	ZINC000020352960	518453331	/nfs/dbraw/zinc/45/33/31/518453331.db2.gz	YDPMXKSHXCOPHI-UNOMPAQXSA-N	-1	1	370.442	2.282	50	30		FEEAMM
CCCOC(=O)NCCOC([O-])=NS(=O)(=O)c1ccc(Cl)cc1	ZINC000003149745	669943765	/nfs/dbraw/zinc/94/37/65/669943765.db2.gz	LGRUVTUKUKOXEE-UHFFFAOYSA-N	-1	1	364.807	2.096	50	30		FEEAMM
CCCOC(=O)NCCOC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000003149745	669943770	/nfs/dbraw/zinc/94/37/70/669943770.db2.gz	LGRUVTUKUKOXEE-UHFFFAOYSA-N	-1	1	364.807	2.096	50	30		FEEAMM
CN1C(=O)C(=C([O-])C=Cc2c(Cl)cccc2Cl)C(=O)N(C)C1=O	ZINC000104273376	670791542	/nfs/dbraw/zinc/79/15/42/670791542.db2.gz	WJUWLSCVZBKFEN-SREVYHEPSA-N	-1	1	355.177	2.242	50	30		FEEAMM
O=C([O-])[C@H]1c2[nH]cnc2CCN1C(=O)CC1=C(c2ccccc2)CCC1=O	ZINC000072407626	541805622	/nfs/dbraw/zinc/80/56/22/541805622.db2.gz	BOEBTZUUSUGNIC-LJQANCHMSA-N	-1	1	365.389	2.127	50	30		FEEAMM
CC(=O)C1=C(O)C(=O)N(c2ccc(OCC(=O)[O-])cc2)[C@@H]1c1cccnc1	ZINC000004574899	539388030	/nfs/dbraw/zinc/38/80/30/539388030.db2.gz	IFHXSEWEQBTMCF-QGZVFWFLSA-N	-1	1	368.345	2.034	50	30		FEEAMM
O=C([O-])[C@@H]1c2[nH]cnc2CCN1C(=O)CC1=C(c2ccccc2)CCC1=O	ZINC000072407627	541805790	/nfs/dbraw/zinc/80/57/90/541805790.db2.gz	BOEBTZUUSUGNIC-IBGZPJMESA-N	-1	1	365.389	2.127	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1)CC(=O)N2	ZINC000046074396	570924129	/nfs/dbraw/zinc/92/41/29/570924129.db2.gz	HCHOQNDTUPYFHW-LLVKDONJSA-N	-1	1	356.407	2.113	50	30		FEEAMM
C=CCOC(=O)[C@@H]1[C@H](c2ccc(CC)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000004908863	210105543	/nfs/dbraw/zinc/10/55/43/210105543.db2.gz	QAXDOHCZUUIXCB-OXFYSEKESA-N	-1	1	356.422	2.462	50	30		FEEAMM
C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000004746592	210104826	/nfs/dbraw/zinc/10/48/26/210104826.db2.gz	WQXGKQKGHYZGPC-UVTDQMKNSA-N	-1	1	366.329	2.293	50	30		FEEAMM
Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000020893777	211298512	/nfs/dbraw/zinc/29/85/12/211298512.db2.gz	IWONTTFXNPCRHD-UHFFFAOYSA-N	-1	1	366.402	2.418	50	30		FEEAMM
O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc2cn[nH]c21	ZINC000048536097	570957174	/nfs/dbraw/zinc/95/71/74/570957174.db2.gz	NHZHEVUTROOAMC-UHFFFAOYSA-N	-1	1	373.390	2.418	50	30		FEEAMM
O=c1[nH]c(=S)[nH]c([O-])c1N=Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]	ZINC000004750913	539392365	/nfs/dbraw/zinc/39/23/65/539392365.db2.gz	SNUSEFBDJKUCGR-UHFFFAOYSA-N	-1	1	369.362	2.401	50	30		FEEAMM
O=C1Nc2ccc([N+](=O)[O-])cc2C1=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000073242969	541933111	/nfs/dbraw/zinc/93/31/11/541933111.db2.gz	WKUDSCLZHNZHHK-UHFFFAOYSA-N	-1	1	372.253	2.180	50	30		FEEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)c1	ZINC000014205280	211085715	/nfs/dbraw/zinc/08/57/15/211085715.db2.gz	IWVFLLDECDXWCY-UHFFFAOYSA-N	-1	1	366.406	2.347	50	30		FEEAMM
O=C([O-])CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1F	ZINC000004311650	539381477	/nfs/dbraw/zinc/38/14/77/539381477.db2.gz	XVWCAEMLHDZFLM-MRXNPFEDSA-N	-1	1	355.321	2.489	50	30		FEEAMM
O=C([O-])c1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	ZINC000004739409	539391174	/nfs/dbraw/zinc/39/11/74/539391174.db2.gz	IDJARYAGKBNGHJ-LEBHLANCSA-N	-1	1	367.386	2.151	50	30		FEEAMM
CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(C=O)CC1	ZINC000036353276	539989108	/nfs/dbraw/zinc/98/91/08/539989108.db2.gz	CWXRWNOQGMTIGN-QGZVFWFLSA-N	-1	1	372.425	2.312	50	30		FEEAMM
CNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)ccc21	ZINC000064862440	212046780	/nfs/dbraw/zinc/04/67/80/212046780.db2.gz	WADUOOQYSJGWDF-UHFFFAOYSA-N	-1	1	356.407	2.061	50	30		FEEAMM
N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(Cl)c([O-])c2)nc1N	ZINC000020427823	211279898	/nfs/dbraw/zinc/27/98/98/211279898.db2.gz	QAYHHQTVKYWTLO-UHFFFAOYSA-N	-1	1	359.798	2.497	50	30		FEEAMM
C=CCN1C(=O)/C(=C/c2cc(Br)cs2)C(=O)[N-]C1=S	ZINC000004723759	539391018	/nfs/dbraw/zinc/39/10/18/539391018.db2.gz	ARWQAVMIJZRRQL-WEVVVXLNSA-N	-1	1	357.254	2.323	50	30		FEEAMM
Cc1ccc2nc(C(C#N)=C3[N-]S(=O)(=O)c4ccccc43)[nH]c(=O)c2c1	ZINC000005072491	539401021	/nfs/dbraw/zinc/40/10/21/539401021.db2.gz	JXSROSMRSJJXSD-ZDUSSCGKSA-N	-1	1	364.386	2.443	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C(C(=O)OC)=C(C)N2	ZINC000004292276	210103938	/nfs/dbraw/zinc/10/39/38/210103938.db2.gz	GTHNEOOWZXFFLW-CYBMUJFWSA-N	-1	1	370.434	2.447	50	30		FEEAMM
O=C([O-])CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F	ZINC000102866265	222311641	/nfs/dbraw/zinc/31/16/41/222311641.db2.gz	CUNFCPWFTUMUQU-UYTDBDHRSA-N	-1	1	355.321	2.332	50	30		FEEAMM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1	ZINC000001440849	519668814	/nfs/dbraw/zinc/66/88/14/519668814.db2.gz	FZBSMOCEPVNXAG-UHFFFAOYSA-N	-1	1	357.435	2.232	50	30		FEEAMM
O=c1[nH]c(=O)n(-c2ccc(F)cc2)c([O-])c1C=Nc1cccc([N+](=O)[O-])c1	ZINC000101583557	570821449	/nfs/dbraw/zinc/82/14/49/570821449.db2.gz	WGICJOBWGLNTJZ-DJKKODMXSA-N	-1	1	370.296	2.029	50	30		FEEAMM
CCCCCCCCN1C(=O)C(=CNCCCOC)C(=O)[N-]C1=S	ZINC000105490578	570872974	/nfs/dbraw/zinc/87/29/74/570872974.db2.gz	KTOHZLMIVGIJLO-BUHFOSPRSA-N	-1	1	355.504	2.100	50	30		FEEAMM
C=CCOC(=O)[C@@H]1[C@H](c2ccc(CC)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000004908875	539395584	/nfs/dbraw/zinc/39/55/84/539395584.db2.gz	QAXDOHCZUUIXCB-SYNHAJSKSA-N	-1	1	356.422	2.462	50	30		FEEAMM
C=CCOc1ccc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OC	ZINC000012362885	539556216	/nfs/dbraw/zinc/55/62/16/539556216.db2.gz	NHXIHVXDONTKSP-RAXLEYEMSA-N	-1	1	358.419	2.073	50	30		FEEAMM
C#CCNC(=O)[C@@H](C)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000056154397	518281971	/nfs/dbraw/zinc/28/19/71/518281971.db2.gz	ILSIRJWXMIKXNY-OAHLLOKOSA-N	-1	1	371.462	2.346	50	30		FEEAMM
CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc([O-])cc2)c1C#N	ZINC000019805681	520812283	/nfs/dbraw/zinc/81/22/83/520812283.db2.gz	YSOFOSTZPKCUHB-UHFFFAOYSA-N	-1	1	354.391	2.435	50	30		FEEAMM
CC(=O)C1=C(O)C(=O)N(c2ccc(OCC(=O)[O-])cc2)[C@H]1c1cccnc1	ZINC000004574902	539388293	/nfs/dbraw/zinc/38/82/93/539388293.db2.gz	IFHXSEWEQBTMCF-KRWDZBQOSA-N	-1	1	368.345	2.034	50	30		FEEAMM
CN1[N-]C(=O)C(=NNc2ccc(F)cc2)C1=NC(=O)c1ccc(Cl)cc1	ZINC000006056711	539420687	/nfs/dbraw/zinc/42/06/87/539420687.db2.gz	ZJCQJGXTFCXJSF-RVVQFRNZSA-N	-1	1	373.775	2.463	50	30		FEEAMM
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000014867702	220134435	/nfs/dbraw/zinc/13/44/35/220134435.db2.gz	QXPPMBDYVWITCL-UHFFFAOYSA-N	-1	1	350.421	2.071	50	30		FEEAMM
N#Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1=O	ZINC000082147963	132197422	/nfs/dbraw/zinc/19/74/22/132197422.db2.gz	NQCWEJPIYWKLLV-UHFFFAOYSA-N	-1	1	355.781	2.406	50	30		FEEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccnc2)s1	ZINC000102741518	222306071	/nfs/dbraw/zinc/30/60/71/222306071.db2.gz	KEPYMBCOAUHQNV-MNWMYKRDSA-N	-1	1	368.374	2.461	50	30		FEEAMM
C=CCNc1nnc(SCC(=O)[N-]C(=O)c2ccccc2OC)s1	ZINC000007779609	518966736	/nfs/dbraw/zinc/96/67/36/518966736.db2.gz	WOAFXRDZGWDFBO-UHFFFAOYSA-N	-1	1	364.452	2.193	50	30		FEEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)n[n-]c1=S	ZINC000024750816	539740142	/nfs/dbraw/zinc/74/01/42/539740142.db2.gz	PJVCZRBOVPNOPH-UHFFFAOYSA-N	-1	1	374.451	2.115	50	30		FEEAMM
COCc1cc(C)nc(N=NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)c1C#N	ZINC000095483012	542973387	/nfs/dbraw/zinc/97/33/87/542973387.db2.gz	NKTSUJGSHFWNNL-UWVJOHFNSA-N	-1	1	371.353	2.477	50	30		FEEAMM
C#CCNC(=O)[C@H](C)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000056154396	518283103	/nfs/dbraw/zinc/28/31/03/518283103.db2.gz	ILSIRJWXMIKXNY-HNNXBMFYSA-N	-1	1	371.462	2.346	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1F)CC(=O)N2	ZINC000046074440	570924194	/nfs/dbraw/zinc/92/41/94/570924194.db2.gz	AZFJLYWTAWCOBF-SECBINFHSA-N	-1	1	374.397	2.252	50	30		FEEAMM
C=CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C1=O	ZINC000004739749	539391545	/nfs/dbraw/zinc/39/15/45/539391545.db2.gz	MIOKQRWTHSKIRP-GXDHUFHOSA-N	-1	1	366.329	2.293	50	30		FEEAMM
C=CCOC(=O)[C@@H]1[C@H](c2ccc(OCC)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000004908898	219622917	/nfs/dbraw/zinc/62/29/17/219622917.db2.gz	XQFSBGIWVHRTNS-SYNHAJSKSA-N	-1	1	372.421	2.298	50	30		FEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)c(OCC)c1)CC(=O)N2	ZINC000021784146	220366165	/nfs/dbraw/zinc/36/61/65/220366165.db2.gz	ZWVJCGDTTBJXHZ-NSHDSACASA-N	-1	1	371.418	2.074	50	30		FEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000111970988	571144859	/nfs/dbraw/zinc/14/48/59/571144859.db2.gz	RKJACPKJEUQZCX-NSHDSACASA-N	-1	1	358.379	2.430	50	30		FEEAMM
C/C(=N\N=C1\NC(=O)C(CC(=O)[O-])S1)c1ccc(Br)cc1	ZINC000004709249	539390547	/nfs/dbraw/zinc/39/05/47/539390547.db2.gz	BTWUVWNJCQXANQ-JYMRLUDQSA-N	-1	1	370.228	2.235	50	30		FEEAMM
C=CCOC(=O)[C@@H]1[C@H](c2ccc(OCC)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000004908886	539395465	/nfs/dbraw/zinc/39/54/65/539395465.db2.gz	XQFSBGIWVHRTNS-OXFYSEKESA-N	-1	1	372.421	2.298	50	30		FEEAMM
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