smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1ccsc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000737189927	944978138	/nfs/dbraw/zinc/97/81/38/944978138.db2.gz	DSLRITXRUTXPHT-UHFFFAOYSA-N	0	1	365.444	2.518	20	50		FFGDMN
Cc1cc(C)cc(CCC(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1	ZINC000822196675	945979058	/nfs/dbraw/zinc/97/90/58/945979058.db2.gz	SGFXCQHICSJUSS-UHFFFAOYSA-N	0	1	369.429	2.671	20	50		FFGDMN
C[C@H]1CCC[N@@H+](CCCCNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)C1	ZINC001594383269	999447068	/nfs/dbraw/zinc/44/70/68/999447068.db2.gz	MNPXUBYUDPPNRD-ZDUSSCGKSA-N	0	1	366.437	2.662	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H](C)c2ccccc2F)o1	ZINC000735938541	944717228	/nfs/dbraw/zinc/71/72/28/944717228.db2.gz	AAFRWUKTDQWLDQ-JTQLQIEISA-N	0	1	373.392	2.754	20	50		FFGDMN
Cc1cccc([C@@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1	ZINC000737383589	945053086	/nfs/dbraw/zinc/05/30/86/945053086.db2.gz	CGAVAEGAUIRAFG-LLVKDONJSA-N	0	1	355.402	2.533	20	50		FFGDMN
C[N@H+]1CC[C@H](C(=O)NNc2cccc(C(=O)[O-])c2F)[C@@H]1c1ccccc1	ZINC001598625472	994082524	/nfs/dbraw/zinc/08/25/24/994082524.db2.gz	HKGDYORWHVPZNI-YOEHRIQHSA-N	0	1	357.385	2.660	20	50		FFGDMN
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000826316754	607675996	/nfs/dbraw/zinc/67/59/96/607675996.db2.gz	XUCJUEMMHUNAPG-VHSXEESVSA-N	0	1	373.442	2.595	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H](C)c2cccc(F)c2)o1	ZINC000735938554	944716921	/nfs/dbraw/zinc/71/69/21/944716921.db2.gz	AOVSVVRZZPKYMW-JTQLQIEISA-N	0	1	373.392	2.754	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC=Cc2ccc(F)cc2)o1	ZINC000820203282	945379684	/nfs/dbraw/zinc/37/96/84/945379684.db2.gz	QTBNGEGAGDYXOB-ONEGZZNKSA-N	0	1	371.376	2.664	20	50		FFGDMN
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001594375459	999416765	/nfs/dbraw/zinc/41/67/65/999416765.db2.gz	SYCFEDFSVUCKJH-CYBMUJFWSA-N	0	1	366.437	2.805	20	50		FFGDMN
C[C@H]1CCC[N@@H+](CCCCNC(=O)NNc2ccc(C(=O)[O-])cc2F)C1	ZINC001594382347	999441519	/nfs/dbraw/zinc/44/15/19/999441519.db2.gz	AVXYTYIAJPSGGD-ZDUSSCGKSA-N	0	1	366.437	2.662	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)o1	ZINC000735939268	944718909	/nfs/dbraw/zinc/71/89/09/944718909.db2.gz	MNPUKAKHGUXANY-VXGBXAGGSA-N	0	1	359.434	2.638	20	50		FFGDMN
C[C@@H](C(=O)[O-])[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1CC1	ZINC001588592993	959363428	/nfs/dbraw/zinc/36/34/28/959363428.db2.gz	SFBMFPUFEVBMAJ-INIZCTEOSA-N	0	1	357.390	2.938	20	50		FFGDMN
C[C@@H]1CCC[N@@H+](CCCCNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)C1	ZINC001594383267	999447010	/nfs/dbraw/zinc/44/70/10/999447010.db2.gz	MNPXUBYUDPPNRD-CYBMUJFWSA-N	0	1	366.437	2.662	20	50		FFGDMN
C[N@H+]1CC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)[C@H]1c1ccccc1	ZINC001598587326	993403655	/nfs/dbraw/zinc/40/36/55/993403655.db2.gz	XHZDSTSNQOIXCY-IAGOWNOFSA-N	0	1	372.400	2.595	20	50		FFGDMN
C[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)CC[N@H+]1CCC(=O)[O-]	ZINC001594465719	999684974	/nfs/dbraw/zinc/68/49/74/999684974.db2.gz	VREFPZJYUYYJRX-KBPBESRZSA-N	0	1	360.545	2.708	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cc3cc(F)ccc3o2)o1	ZINC000735939085	944719589	/nfs/dbraw/zinc/71/95/89/944719589.db2.gz	JKEAOVALZGNPTA-UHFFFAOYSA-N	0	1	371.332	2.620	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2C[C@@H]2C2CCCCC2)o1	ZINC000735939261	944719974	/nfs/dbraw/zinc/71/99/74/944719974.db2.gz	MNPUKAKHGUXANY-NEPJUHHUSA-N	0	1	359.434	2.638	20	50		FFGDMN
CC[C@@H](Cc1ccccc1)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000736352264	944806976	/nfs/dbraw/zinc/80/69/76/944806976.db2.gz	JUZKNWNKGOTJPL-ZDUSSCGKSA-N	0	1	369.429	2.690	20	50		FFGDMN
C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828341028	603535077	/nfs/dbraw/zinc/53/50/77/603535077.db2.gz	GXXJBPTUBUFNGH-QGZVFWFLSA-N	0	1	372.405	2.685	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)o1	ZINC000824866592	609151298	/nfs/dbraw/zinc/15/12/98/609151298.db2.gz	MRLHVKZRWLHIEK-WDEREUQCSA-N	0	1	361.450	2.884	20	50		FFGDMN
Cc1ccccc1[C@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000737424677	945065945	/nfs/dbraw/zinc/06/59/45/945065945.db2.gz	WRFVZXWTIMRFJM-GFCCVEGCSA-N	0	1	369.429	2.923	20	50		FFGDMN
COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCCI)c1	ZINC001599647175	994441470	/nfs/dbraw/zinc/44/14/70/994441470.db2.gz	NJLGRGYWRYVOCO-LBPRGKRZSA-N	0	1	363.195	2.578	20	50		FFGDMN
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001594225588	998865535	/nfs/dbraw/zinc/86/55/35/998865535.db2.gz	HLSFJWZLUXTXSZ-FRRDWIJNSA-N	0	1	366.437	2.516	20	50		FFGDMN
C[C@@H]1C[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-]	ZINC000828448703	601523984	/nfs/dbraw/zinc/52/39/84/601523984.db2.gz	FTZBDLKKVMRUHU-VQIMIIECSA-N	0	1	357.390	2.653	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H]2CCc3ccccc32)o1	ZINC000735938557	944716886	/nfs/dbraw/zinc/71/68/86/944716886.db2.gz	APBVYGZRALCNQH-GFCCVEGCSA-N	0	1	367.413	2.541	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H](C)c2cccc(F)c2)o1	ZINC000735938555	944717370	/nfs/dbraw/zinc/71/73/70/944717370.db2.gz	AOVSVVRZZPKYMW-SNVBAGLBSA-N	0	1	373.392	2.754	20	50		FFGDMN
Cc1ccc(C(C)(C)C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1	ZINC000737316431	945036212	/nfs/dbraw/zinc/03/62/12/945036212.db2.gz	BPOZPHYWULCURG-UHFFFAOYSA-N	0	1	369.429	2.707	20	50		FFGDMN
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001594374936	999413106	/nfs/dbraw/zinc/41/31/06/999413106.db2.gz	HEGZEBIBNVPNAP-OAHLLOKOSA-N	0	1	362.474	2.594	20	50		FFGDMN
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001594380052	999434918	/nfs/dbraw/zinc/43/49/18/999434918.db2.gz	GEFBHFFRCYIHEN-LBPRGKRZSA-N	0	1	366.437	2.661	20	50		FFGDMN
C=C[C@@H](CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1ccccc1	ZINC000823883667	607979927	/nfs/dbraw/zinc/97/99/27/607979927.db2.gz	XCAZEHQLMLMKEM-LBPRGKRZSA-N	0	1	367.413	2.781	20	50		FFGDMN
CC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1cccc(F)c1	ZINC000735448005	944656049	/nfs/dbraw/zinc/65/60/49/944656049.db2.gz	HAOVFBIXBXGQCF-YFHOEESVSA-N	0	1	371.376	2.664	20	50		FFGDMN
C[C@@H]1CCC[N@@H+](CCCCNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001594382344	999441641	/nfs/dbraw/zinc/44/16/41/999441641.db2.gz	AUVWKAURUTURSF-CYBMUJFWSA-N	0	1	366.437	2.662	20	50		FFGDMN
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CC[N@H+]1CCC(=O)[O-]	ZINC001594465724	999684739	/nfs/dbraw/zinc/68/47/39/999684739.db2.gz	VREFPZJYUYYJRX-ZIAGYGMSSA-N	0	1	360.545	2.708	20	50		FFGDMN
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001594380051	999434886	/nfs/dbraw/zinc/43/48/86/999434886.db2.gz	GEFBHFFRCYIHEN-GFCCVEGCSA-N	0	1	366.437	2.661	20	50		FFGDMN
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833549038	605741539	/nfs/dbraw/zinc/74/15/39/605741539.db2.gz	OMVVJUWOMJBTJO-RDTXWAMCSA-N	0	1	368.437	2.846	20	50		FFGDMN
Cc1cccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1Cl	ZINC000826295946	607862119	/nfs/dbraw/zinc/86/21/19/607862119.db2.gz	DWOLJFFHFISSHB-UHFFFAOYSA-N	0	1	361.793	2.697	20	50		FFGDMN
Cc1cc(C)c(CC(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c(C)c1	ZINC000826263359	608301423	/nfs/dbraw/zinc/30/14/23/608301423.db2.gz	XDSBLKXYQFGTBO-UHFFFAOYSA-N	0	1	369.429	2.589	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2C[C@H]2C2CCCCC2)o1	ZINC000735939264	944719836	/nfs/dbraw/zinc/71/98/36/944719836.db2.gz	MNPUKAKHGUXANY-NWDGAFQWSA-N	0	1	359.434	2.638	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C(C)(C)Cc2ccccc2)o1	ZINC000735939520	944721131	/nfs/dbraw/zinc/72/11/31/944721131.db2.gz	QVDHJCHGXPPUKZ-UHFFFAOYSA-N	0	1	369.429	2.690	20	50		FFGDMN
CN(CC(=O)[O-])C(=O)CC[N@H+]1CCCC[C@H]1CO[Si](C)(C)C(C)(C)C	ZINC001598404777	991712950	/nfs/dbraw/zinc/71/29/50/991712950.db2.gz	LVVOKQZXQIMBAD-HNNXBMFYSA-N	0	1	372.582	2.796	20	50		FFGDMN
C[N@H+](CCI)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC001598485871	992205770	/nfs/dbraw/zinc/20/57/70/992205770.db2.gz	GMXOPBGUXYXDFD-SNVBAGLBSA-N	0	1	373.112	2.596	20	50		FFGDMN
C[N@@H+](CCI)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC001598485871	992205782	/nfs/dbraw/zinc/20/57/82/992205782.db2.gz	GMXOPBGUXYXDFD-SNVBAGLBSA-N	0	1	373.112	2.596	20	50		FFGDMN
C[C@H]1CCC[N@@H+](CCCCNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001594382345	999441341	/nfs/dbraw/zinc/44/13/41/999441341.db2.gz	AUVWKAURUTURSF-ZDUSSCGKSA-N	0	1	366.437	2.662	20	50		FFGDMN
C[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CC[N@H+]1CCC(=O)[O-]	ZINC001594465723	999684819	/nfs/dbraw/zinc/68/48/19/999684819.db2.gz	VREFPZJYUYYJRX-UONOGXRCSA-N	0	1	360.545	2.708	20	50		FFGDMN
CC(C)[N@H+](Cc1ccc(NC(=O)NNC(=O)[O-])cc1)C[C@H]1CCCCO1	ZINC000833497483	605103315	/nfs/dbraw/zinc/10/33/15/605103315.db2.gz	CWBUSUXJZXTTRU-MRXNPFEDSA-N	0	1	364.446	2.770	20	50		FFGDMN
C=C(CBr)C[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C	ZINC001588606363	983697348	/nfs/dbraw/zinc/69/73/48/983697348.db2.gz	YUXLYPMZWBOFKY-ZDUSSCGKSA-N	0	1	353.260	2.846	20	50		FFGDMN
C=C(CBr)C[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C	ZINC001588606363	983697349	/nfs/dbraw/zinc/69/73/49/983697349.db2.gz	YUXLYPMZWBOFKY-ZDUSSCGKSA-N	0	1	353.260	2.846	20	50		FFGDMN
C[N@@H+](CCCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)C1CCCCC1	ZINC001598480584	992142701	/nfs/dbraw/zinc/14/27/01/992142701.db2.gz	OYOIHBMDBWVBMG-UHFFFAOYSA-N	0	1	366.437	2.805	20	50		FFGDMN
CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1ccc(C[NH+](C)C)o1	ZINC000824758700	605474573	/nfs/dbraw/zinc/47/45/73/605474573.db2.gz	ABGWJQQLZAWBCF-CQSZACIVSA-N	0	1	364.446	2.760	20	50		FFGDMN
CS[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1ccccc1	ZINC000737169571	944974617	/nfs/dbraw/zinc/97/46/17/944974617.db2.gz	AWUMQIDBRSRAPD-LBPRGKRZSA-N	0	1	373.442	2.526	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC=Cc2cccc(F)c2)o1	ZINC000820202294	945374257	/nfs/dbraw/zinc/37/42/57/945374257.db2.gz	GHPIJSWPACVPAI-XQRVVYSFSA-N	0	1	371.376	2.664	20	50		FFGDMN
C[N@H+]1CC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)[C@@H]1c1ccccc1	ZINC001598587328	993404287	/nfs/dbraw/zinc/40/42/87/993404287.db2.gz	XHZDSTSNQOIXCY-SJORKVTESA-N	0	1	372.400	2.595	20	50		FFGDMN
C[C@@H]1CCC[N@@H+](CCCCNC(=O)NNc2ccc(C(=O)[O-])cc2F)C1	ZINC001594382346	999441585	/nfs/dbraw/zinc/44/15/85/999441585.db2.gz	AVXYTYIAJPSGGD-CYBMUJFWSA-N	0	1	366.437	2.662	20	50		FFGDMN
CC(C[C@@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1ccc(C[NH+](C)C)o1	ZINC000824758699	605474490	/nfs/dbraw/zinc/47/44/90/605474490.db2.gz	ABGWJQQLZAWBCF-AWEZNQCLSA-N	0	1	364.446	2.760	20	50		FFGDMN
CC[C@H](Cc1ccccc1)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000736352260	944808172	/nfs/dbraw/zinc/80/81/72/944808172.db2.gz	JUZKNWNKGOTJPL-CYBMUJFWSA-N	0	1	369.429	2.690	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccc(Cl)c2F)o1	ZINC000820201918	945371622	/nfs/dbraw/zinc/37/16/22/945371622.db2.gz	CFCMGAGNUVXHDQ-UHFFFAOYSA-N	0	1	365.756	2.528	20	50		FFGDMN
CC(C)(C)[Si](C)(C)OCC[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001590451923	990016471	/nfs/dbraw/zinc/01/64/71/990016471.db2.gz	WJNBVYHLVOMZHW-ZDUSSCGKSA-N	0	1	354.527	2.635	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H]2CCc3ccccc32)o1	ZINC000735938558	944717432	/nfs/dbraw/zinc/71/74/32/944717432.db2.gz	APBVYGZRALCNQH-LBPRGKRZSA-N	0	1	367.413	2.541	20	50		FFGDMN
Cc1ccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1Cl	ZINC000737313283	945037267	/nfs/dbraw/zinc/03/72/67/945037267.db2.gz	SYYNBLVTWARGAF-UHFFFAOYSA-N	0	1	361.793	2.697	20	50		FFGDMN
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC001595453178	981118117	/nfs/dbraw/zinc/11/81/17/981118117.db2.gz	MXHSDPDUTXTJLC-CQSZACIVSA-N	0	1	362.474	2.912	20	50		FFGDMN
CC[N@@H+](C)Cc1cccc(CNC(=O)NNc2ccc(CC(=O)[O-])cc2)c1	ZINC001596193193	983573606	/nfs/dbraw/zinc/57/36/06/983573606.db2.gz	OZGFHOWBSDFDAY-UHFFFAOYSA-N	0	1	370.453	2.592	20	50		FFGDMN
COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CCCI)c1	ZINC001599647174	994441848	/nfs/dbraw/zinc/44/18/48/994441848.db2.gz	NJLGRGYWRYVOCO-GFCCVEGCSA-N	0	1	363.195	2.578	20	50		FFGDMN
C[C@H]1C[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-]	ZINC000828448702	601524106	/nfs/dbraw/zinc/52/41/06/601524106.db2.gz	FTZBDLKKVMRUHU-QFBILLFUSA-N	0	1	357.390	2.653	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](c2ccccc2)C(C)C)o1	ZINC000820202262	945375576	/nfs/dbraw/zinc/37/55/76/945375576.db2.gz	GBKGXCGIWZPFMY-CYBMUJFWSA-N	0	1	369.429	2.861	20	50		FFGDMN
C[N@H+]1CC[C@H](C(=O)NNc2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccccc1	ZINC001598625857	994090105	/nfs/dbraw/zinc/09/01/05/994090105.db2.gz	MPUXZBIGZCDFMX-RDJZCZTQSA-N	0	1	357.385	2.660	20	50		FFGDMN
C[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1	ZINC000833599854	605746108	/nfs/dbraw/zinc/74/61/08/605746108.db2.gz	IEHLLBLPLZYLGJ-KDOFPFPSSA-N	0	1	368.437	2.674	20	50		FFGDMN
Cc1cc(C)c(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c(C)c1	ZINC000826263356	608060431	/nfs/dbraw/zinc/06/04/31/608060431.db2.gz	XAJYXOPXYJWAQD-UHFFFAOYSA-N	0	1	355.402	2.660	20	50		FFGDMN
C[N@@H+](CCCNC(=O)NNc1cccc(C(=O)[O-])c1F)C1CCCCC1	ZINC001598480120	992135450	/nfs/dbraw/zinc/13/54/50/992135450.db2.gz	FVCNPMGFBLXBLI-UHFFFAOYSA-N	0	1	366.437	2.805	20	50		FFGDMN
CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000827890919	603844582	/nfs/dbraw/zinc/84/45/82/603844582.db2.gz	XAGZTRRXWMAKLP-QGZVFWFLSA-N	0	1	372.405	2.685	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H](C)c2ccccc2F)o1	ZINC000735938542	944717837	/nfs/dbraw/zinc/71/78/37/944717837.db2.gz	AAFRWUKTDQWLDQ-SNVBAGLBSA-N	0	1	373.392	2.754	20	50		FFGDMN
O=C([O-])[C@H]1CCC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000739581930	955254401	/nfs/dbraw/zinc/25/44/01/955254401.db2.gz	AGICWXKAXAJUKF-KRWDZBQOSA-N	0	1	357.390	2.797	20	50		FFGDMN
O=C([O-])[C@H]1CCCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1	ZINC000821510228	955509007	/nfs/dbraw/zinc/50/90/07/955509007.db2.gz	GIQXWRSNLWVIRA-LJQANCHMSA-N	0	1	357.390	2.940	20	50		FFGDMN
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000826316755	607676147	/nfs/dbraw/zinc/67/61/47/607676147.db2.gz	XUCJUEMMHUNAPG-ZJUUUORDSA-N	0	1	373.442	2.595	20	50		FFGDMN
Cc1ccc(Cl)cc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000826289363	607806832	/nfs/dbraw/zinc/80/68/32/607806832.db2.gz	XDSBISRZMZZECT-UHFFFAOYSA-N	0	1	361.793	2.697	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCCc3sccc32)o1	ZINC000820203460	945381791	/nfs/dbraw/zinc/38/17/91/945381791.db2.gz	UPFLVFGYMOXOBH-JTQLQIEISA-N	0	1	373.442	2.603	20	50		FFGDMN
CC(C)c1ccc(SCC(=O)NN=c2ccc(-c3nn[nH]n3)c[nH]2)cc1	ZINC001574417424	948764952	/nfs/dbraw/zinc/76/49/52/948764952.db2.gz	MYXCPWTVBCWCHD-UHFFFAOYSA-N	0	1	369.454	2.621	20	50		FFGDMN
C[C@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[N@@H+](C)Cc1ccccc1	ZINC001592676657	979096911	/nfs/dbraw/zinc/09/69/11/979096911.db2.gz	UBWMMIYBUIIYQS-CYBMUJFWSA-N	0	1	374.416	2.671	20	50		FFGDMN
C[N@H+]1CC[C@H](NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)[C@H]1c1ccccc1	ZINC001598587325	993403888	/nfs/dbraw/zinc/40/38/88/993403888.db2.gz	XHZDSTSNQOIXCY-DLBZAZTESA-N	0	1	372.400	2.595	20	50		FFGDMN
COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1	ZINC001599375865	998484882	/nfs/dbraw/zinc/48/48/82/998484882.db2.gz	HFNKPAOBHMHUEH-INIZCTEOSA-N	0	1	361.442	2.634	20	50		FFGDMN
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833549036	605741601	/nfs/dbraw/zinc/74/16/01/605741601.db2.gz	OMVVJUWOMJBTJO-KSSFIOAISA-N	0	1	368.437	2.846	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)o1	ZINC000824866587	609151577	/nfs/dbraw/zinc/15/15/77/609151577.db2.gz	MRLHVKZRWLHIEK-GHMZBOCLSA-N	0	1	361.450	2.884	20	50		FFGDMN
CC(=Cc1ccc(C)cc1)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000823942276	609450215	/nfs/dbraw/zinc/45/02/15/609450215.db2.gz	ACXHVUHQYNRRBZ-XFXZXTDPSA-N	0	1	367.413	2.833	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](c2ccccc2)C(C)C)o1	ZINC000820202265	945375366	/nfs/dbraw/zinc/37/53/66/945375366.db2.gz	GBKGXCGIWZPFMY-ZDUSSCGKSA-N	0	1	369.429	2.861	20	50		FFGDMN
C[N@@H+](CCCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1CCCCC1	ZINC001598480322	992138680	/nfs/dbraw/zinc/13/86/80/992138680.db2.gz	HRVHZIBZBYMJEP-UHFFFAOYSA-N	0	1	366.437	2.805	20	50		FFGDMN
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000826316753	607675772	/nfs/dbraw/zinc/67/57/72/607675772.db2.gz	XUCJUEMMHUNAPG-UWVGGRQHSA-N	0	1	373.442	2.595	20	50		FFGDMN
C[C@@H](CCNC(=O)NNc1cccc(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1	ZINC000833514889	605745737	/nfs/dbraw/zinc/74/57/37/605745737.db2.gz	DZYYSGXCRBBWRB-HNNXBMFYSA-N	0	1	370.453	2.922	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccc(C(F)F)cc2)o1	ZINC000735939402	944721365	/nfs/dbraw/zinc/72/13/65/944721365.db2.gz	PHSVXOHRAVCZJG-UHFFFAOYSA-N	0	1	363.328	2.673	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)o1	ZINC000824866588	609151276	/nfs/dbraw/zinc/15/12/76/609151276.db2.gz	MRLHVKZRWLHIEK-MNOVXSKESA-N	0	1	361.450	2.884	20	50		FFGDMN
O=C([O-])[C@@H]1CCCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1	ZINC000821510227	955509192	/nfs/dbraw/zinc/50/91/92/955509192.db2.gz	GIQXWRSNLWVIRA-IBGZPJMESA-N	0	1	357.390	2.940	20	50		FFGDMN
C[C@H](C(=O)[O-])[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1CC1	ZINC001588592994	959364983	/nfs/dbraw/zinc/36/49/83/959364983.db2.gz	SFBMFPUFEVBMAJ-MRXNPFEDSA-N	0	1	357.390	2.938	20	50		FFGDMN
C[N@@H+](CC(=O)NNc1cc(C(=O)[O-])ccc1Br)CC(C)(C)C	ZINC001598396865	991665144	/nfs/dbraw/zinc/66/51/44/991665144.db2.gz	UKFUEACQLWZRIE-UHFFFAOYSA-N	0	1	372.263	2.568	20	50		FFGDMN
Cc1ccc(C[C@@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1	ZINC000826286410	609450511	/nfs/dbraw/zinc/45/05/11/609450511.db2.gz	AYJWIELTYNRWGY-GFCCVEGCSA-N	0	1	369.429	2.608	20	50		FFGDMN
CC(C)Oc1ccccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000735914244	944711814	/nfs/dbraw/zinc/71/18/14/944711814.db2.gz	UEQVCMCWVBOVCA-UHFFFAOYSA-N	0	1	371.401	2.522	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC=Cc2ccc(F)cc2)o1	ZINC000820203281	945377616	/nfs/dbraw/zinc/37/76/16/945377616.db2.gz	QTBNGEGAGDYXOB-ARJAWSKDSA-N	0	1	371.376	2.664	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCCc3sccc32)o1	ZINC000820203463	945380415	/nfs/dbraw/zinc/38/04/15/945380415.db2.gz	UPFLVFGYMOXOBH-SNVBAGLBSA-N	0	1	373.442	2.603	20	50		FFGDMN
C[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1	ZINC000833599852	605746405	/nfs/dbraw/zinc/74/64/05/605746405.db2.gz	IEHLLBLPLZYLGJ-KBXCAEBGSA-N	0	1	368.437	2.674	20	50		FFGDMN
CCSc1cccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1	ZINC000825673846	608120780	/nfs/dbraw/zinc/12/07/80/608120780.db2.gz	DSZNXFCPJPGXBV-UHFFFAOYSA-N	0	1	373.442	2.847	20	50		FFGDMN
Cc1cccc2nc(C(C#N)=Cc3cnc4ccc(-c5nn[nH]n5)cn34)[nH]c21	ZINC000737410226	945060268	/nfs/dbraw/zinc/06/02/68/945060268.db2.gz	VXJQPZIFVPCQSB-NTUHNPAUSA-N	0	1	367.376	2.763	20	50		FFGDMN
C[C@]1(C(=O)[O-])CCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1	ZINC001589186675	956560580	/nfs/dbraw/zinc/56/05/80/956560580.db2.gz	ACUFIELBROFEMR-HXUWFJFHSA-N	0	1	357.390	2.940	20	50		FFGDMN
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595750821	982430781	/nfs/dbraw/zinc/43/07/81/982430781.db2.gz	GXOVJOWZBSULFQ-OAHLLOKOSA-N	0	1	362.474	2.974	20	50		FFGDMN
C[C@H](CCNC(=O)NNc1cccc(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1	ZINC000833514890	605745772	/nfs/dbraw/zinc/74/57/72/605745772.db2.gz	DZYYSGXCRBBWRB-OAHLLOKOSA-N	0	1	370.453	2.922	20	50		FFGDMN
CC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1cccc(F)c1	ZINC000735448003	944655104	/nfs/dbraw/zinc/65/51/04/944655104.db2.gz	HAOVFBIXBXGQCF-JXMROGBWSA-N	0	1	371.376	2.664	20	50		FFGDMN
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833549030	605741270	/nfs/dbraw/zinc/74/12/70/605741270.db2.gz	OMVVJUWOMJBTJO-KDOFPFPSSA-N	0	1	368.437	2.846	20	50		FFGDMN
CS[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1ccccc1	ZINC000737169570	944974708	/nfs/dbraw/zinc/97/47/08/944974708.db2.gz	AWUMQIDBRSRAPD-GFCCVEGCSA-N	0	1	373.442	2.526	20	50		FFGDMN
Cc1ccc(/C=C/CC(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1	ZINC000822233641	946017502	/nfs/dbraw/zinc/01/75/02/946017502.db2.gz	SHTDKHLAZGWXQG-SNAWJCMRSA-N	0	1	367.413	2.833	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2C[C@H]2C2CCCCC2)o1	ZINC000735939266	944720238	/nfs/dbraw/zinc/72/02/38/944720238.db2.gz	MNPUKAKHGUXANY-RYUDHWBXSA-N	0	1	359.434	2.638	20	50		FFGDMN
O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@@H+](CCCI)C1	ZINC000834107260	605869568	/nfs/dbraw/zinc/86/95/68/605869568.db2.gz	LWVXOFMRYNBLQX-NWDGAFQWSA-N	0	1	366.243	2.666	20	50		FFGDMN
C=C[C@H](CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1ccccc1	ZINC000823883666	607979744	/nfs/dbraw/zinc/97/97/44/607979744.db2.gz	XCAZEHQLMLMKEM-GFCCVEGCSA-N	0	1	367.413	2.781	20	50		FFGDMN
CC(C)(C)[Si](C)(C)OCC[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001590451919	990016526	/nfs/dbraw/zinc/01/65/26/990016526.db2.gz	WJNBVYHLVOMZHW-CYBMUJFWSA-N	0	1	354.527	2.635	20	50		FFGDMN
COc1cc(C(=O)[O-])ccc1NNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1	ZINC001599375867	998485381	/nfs/dbraw/zinc/48/53/81/998485381.db2.gz	HFNKPAOBHMHUEH-MRXNPFEDSA-N	0	1	361.442	2.634	20	50		FFGDMN
O=C([O-])NC[C@@H]1CCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1	ZINC000832573525	603573266	/nfs/dbraw/zinc/57/32/66/603573266.db2.gz	PILMURSMRLYUIK-KRWDZBQOSA-N	0	1	372.405	2.733	20	50		FFGDMN
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595751683	982436476	/nfs/dbraw/zinc/43/64/76/982436476.db2.gz	UVMGSXBLIUIJOD-CQSZACIVSA-N	0	1	366.437	2.805	20	50		FFGDMN
CC[N@@H+](C)Cc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)c1	ZINC001596192975	983571813	/nfs/dbraw/zinc/57/18/13/983571813.db2.gz	GLCMINHUNXSGAA-UHFFFAOYSA-N	0	1	370.453	2.971	20	50		FFGDMN
C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[N@@H+]1CCc2ccccc2C1	ZINC001589424663	986696211	/nfs/dbraw/zinc/69/62/11/986696211.db2.gz	YZZOWTBIEKURJO-GFCCVEGCSA-N	0	1	373.840	2.928	20	50		FFGDMN
C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[N@H+]1CCc2ccccc2C1	ZINC001589424663	986696223	/nfs/dbraw/zinc/69/62/23/986696223.db2.gz	YZZOWTBIEKURJO-GFCCVEGCSA-N	0	1	373.840	2.928	20	50		FFGDMN
CCC[N@@H+](CC)Cc1ccc(C(=O)NNc2ncccc2C(=O)[O-])cc1	ZINC001603671280	974044877	/nfs/dbraw/zinc/04/48/77/974044877.db2.gz	BWVVFWCGRIQGIP-UHFFFAOYSA-N	0	1	356.426	2.769	20	50		FFGDMN
C[C@H]1CCCC[N@H+]1CCCCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001594375460	999416676	/nfs/dbraw/zinc/41/66/76/999416676.db2.gz	SYCFEDFSVUCKJH-ZDUSSCGKSA-N	0	1	366.437	2.805	20	50		FFGDMN
O=C([O-])C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1CCC1	ZINC001595071444	951596326	/nfs/dbraw/zinc/59/63/26/951596326.db2.gz	VICRUUZDWWUXBZ-UHFFFAOYSA-N	0	1	357.390	2.940	20	50		FFGDMN
CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC001595453176	981117826	/nfs/dbraw/zinc/11/78/26/981117826.db2.gz	MXHSDPDUTXTJLC-AWEZNQCLSA-N	0	1	362.474	2.912	20	50		FFGDMN
O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@@H+](CCCI)C1	ZINC000834107262	605869766	/nfs/dbraw/zinc/86/97/66/605869766.db2.gz	LWVXOFMRYNBLQX-RYUDHWBXSA-N	0	1	366.243	2.666	20	50		FFGDMN
CC(=Cc1ccc(C)cc1)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000823942275	609450150	/nfs/dbraw/zinc/45/01/50/609450150.db2.gz	ACXHVUHQYNRRBZ-FMIVXFBMSA-N	0	1	367.413	2.833	20	50		FFGDMN
Cc1ccccc1[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000737424681	945064702	/nfs/dbraw/zinc/06/47/02/945064702.db2.gz	WRFVZXWTIMRFJM-LBPRGKRZSA-N	0	1	369.429	2.923	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C(C)(C)c2cccc(F)c2)o1	ZINC000735940342	944725734	/nfs/dbraw/zinc/72/57/34/944725734.db2.gz	YPUNECIWPNJVEX-UHFFFAOYSA-N	0	1	373.392	2.538	20	50		FFGDMN
Cc1cccc([C@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1	ZINC000737383590	945053469	/nfs/dbraw/zinc/05/34/69/945053469.db2.gz	CGAVAEGAUIRAFG-NSHDSACASA-N	0	1	355.402	2.533	20	50		FFGDMN
C[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[N@@H+](C)Cc1ccccc1	ZINC001592676658	979096982	/nfs/dbraw/zinc/09/69/82/979096982.db2.gz	UBWMMIYBUIIYQS-ZDUSSCGKSA-N	0	1	374.416	2.671	20	50		FFGDMN
C=C(CBr)C[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C	ZINC001588606362	983697377	/nfs/dbraw/zinc/69/73/77/983697377.db2.gz	YUXLYPMZWBOFKY-CYBMUJFWSA-N	0	1	353.260	2.846	20	50		FFGDMN
C=C(CBr)C[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C	ZINC001588606362	983697380	/nfs/dbraw/zinc/69/73/80/983697380.db2.gz	YUXLYPMZWBOFKY-CYBMUJFWSA-N	0	1	353.260	2.846	20	50		FFGDMN
CC(C)(C)[Si](C)(C)OCc1csc(C[NH2+][C@H]2CCO[C@H]2C(=O)[O-])n1	ZINC001590451102	990011284	/nfs/dbraw/zinc/01/12/84/990011284.db2.gz	ALHNULIXLRJGMS-GXTWGEPZSA-N	0	1	372.563	2.997	20	50		FFGDMN
CN(CC(=O)[O-])C(=O)CC[N@H+]1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C	ZINC001598404778	991713223	/nfs/dbraw/zinc/71/32/23/991713223.db2.gz	LVVOKQZXQIMBAD-OAHLLOKOSA-N	0	1	372.582	2.796	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCC=Cc2ccccc2)o1	ZINC000735938597	944716293	/nfs/dbraw/zinc/71/62/93/944716293.db2.gz	BSAZTONSXMPMMH-UXBLZVDNSA-N	0	1	367.413	2.915	20	50		FFGDMN
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001594226860	998868657	/nfs/dbraw/zinc/86/86/57/998868657.db2.gz	RMMKQRNCZXWTDJ-XQQFMLRXSA-N	0	1	366.437	2.516	20	50		FFGDMN
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1	ZINC000833599859	605746546	/nfs/dbraw/zinc/74/65/46/605746546.db2.gz	IEHLLBLPLZYLGJ-RDTXWAMCSA-N	0	1	368.437	2.674	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)o1	ZINC000824866589	609151043	/nfs/dbraw/zinc/15/10/43/609151043.db2.gz	MRLHVKZRWLHIEK-QWRGUYRKSA-N	0	1	361.450	2.884	20	50		FFGDMN
CCCC[N@H+]1CCCC[C@H]1CNC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595751680	982436250	/nfs/dbraw/zinc/43/62/50/982436250.db2.gz	UVMGSXBLIUIJOD-AWEZNQCLSA-N	0	1	366.437	2.805	20	50		FFGDMN
CC[N@H+](C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1	ZINC001596191222	983565514	/nfs/dbraw/zinc/56/55/14/983565514.db2.gz	KEKCIZCOIBDPHV-QGZVFWFLSA-N	0	1	357.410	2.530	20	50		FFGDMN
CC[N@@H+](C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1	ZINC001596191222	983565517	/nfs/dbraw/zinc/56/55/17/983565517.db2.gz	KEKCIZCOIBDPHV-QGZVFWFLSA-N	0	1	357.410	2.530	20	50		FFGDMN
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001594226856	998869070	/nfs/dbraw/zinc/86/90/70/998869070.db2.gz	RMMKQRNCZXWTDJ-FRRDWIJNSA-N	0	1	366.437	2.516	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=C2CCC(C)(C)CC2)o1	ZINC000824352434	607710945	/nfs/dbraw/zinc/71/09/45/607710945.db2.gz	DCTLSUOIVAPDGX-UHFFFAOYSA-N	0	1	359.434	2.948	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccc3sccc3c2)o1	ZINC000820202688	945376133	/nfs/dbraw/zinc/37/61/33/945376133.db2.gz	JOQVGISZFXDDSY-UHFFFAOYSA-N	0	1	369.410	2.950	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCCc2ccsc2)o1	ZINC000824359347	946669540	/nfs/dbraw/zinc/66/95/40/946669540.db2.gz	WHOORKNMALSEIY-UHFFFAOYSA-N	0	1	361.431	2.506	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCCSC(C)(C)C)o1	ZINC000824358417	607817563	/nfs/dbraw/zinc/81/75/63/607817563.db2.gz	JHPFJQNHTRULGK-UHFFFAOYSA-N	0	1	367.479	2.733	20	50		FFGDMN
Cc1cc(Cl)cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1	ZINC000822201886	945985673	/nfs/dbraw/zinc/98/56/73/945985673.db2.gz	AHULHSHTOHWMPY-UHFFFAOYSA-N	0	1	361.793	2.697	20	50		FFGDMN
CC[N@H+](C)[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1	ZINC001596191221	983565212	/nfs/dbraw/zinc/56/52/12/983565212.db2.gz	KEKCIZCOIBDPHV-KRWDZBQOSA-N	0	1	357.410	2.530	20	50		FFGDMN
CC[N@@H+](C)[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1	ZINC001596191221	983565218	/nfs/dbraw/zinc/56/52/18/983565218.db2.gz	KEKCIZCOIBDPHV-KRWDZBQOSA-N	0	1	357.410	2.530	20	50		FFGDMN
C[C@@H]1C[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C[C@@H]1C(=O)[O-]	ZINC000828448698	601523997	/nfs/dbraw/zinc/52/39/97/601523997.db2.gz	FTZBDLKKVMRUHU-APWZRJJASA-N	0	1	357.390	2.653	20	50		FFGDMN
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000833522074	605864064	/nfs/dbraw/zinc/86/40/64/605864064.db2.gz	WUXNYGGYSCILSD-UKRRQHHQSA-N	0	1	360.458	2.664	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC=Cc2cccc(F)c2)o1	ZINC000820202291	945375283	/nfs/dbraw/zinc/37/52/83/945375283.db2.gz	GHPIJSWPACVPAI-GQCTYLIASA-N	0	1	371.376	2.664	20	50		FFGDMN
CCc1ccc([C@@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1	ZINC000736685564	944867788	/nfs/dbraw/zinc/86/77/88/944867788.db2.gz	GMCPKEFEHWRZBY-LLVKDONJSA-N	0	1	369.429	2.787	20	50		FFGDMN
C[N@H+]1CC[C@H](C(=O)NNc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1	ZINC001598625895	994090762	/nfs/dbraw/zinc/09/07/62/994090762.db2.gz	NYFWCOTYUCVGII-YOEHRIQHSA-N	0	1	357.385	2.660	20	50		FFGDMN
C[C@@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1	ZINC001592676781	979098737	/nfs/dbraw/zinc/09/87/37/979098737.db2.gz	YNXSIUAXMDSFCP-ZDUSSCGKSA-N	0	1	374.416	2.671	20	50		FFGDMN
CN(C(=O)[O-])[C@H]1CC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000827890918	603844826	/nfs/dbraw/zinc/84/48/26/603844826.db2.gz	XAGZTRRXWMAKLP-KRWDZBQOSA-N	0	1	372.405	2.685	20	50		FFGDMN
C[N@H+]1CC[C@H](C(=O)NNc2ccc(F)c(C(=O)[O-])c2)[C@@H]1c1ccccc1	ZINC001598625066	994075663	/nfs/dbraw/zinc/07/56/63/994075663.db2.gz	BUWUJMPXTVERAE-YOEHRIQHSA-N	0	1	357.385	2.660	20	50		FFGDMN
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001594225591	998865588	/nfs/dbraw/zinc/86/55/88/998865588.db2.gz	HLSFJWZLUXTXSZ-XQQFMLRXSA-N	0	1	366.437	2.516	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C(C)(C)c2ccc(F)cc2)o1	ZINC000735939234	944718943	/nfs/dbraw/zinc/71/89/43/944718943.db2.gz	LUSRSXIBTYFGTF-UHFFFAOYSA-N	0	1	373.392	2.538	20	50		FFGDMN
C[N@@H+]1CCc2[nH]c3ccc(C(=O)NNc4ccccc4C(=O)[O-])cc3c2C1	ZINC001598626875	994111982	/nfs/dbraw/zinc/11/19/82/994111982.db2.gz	UBEJUEDKLAGJKC-UHFFFAOYSA-N	0	1	364.405	2.611	20	50		FFGDMN
C[N@H+]1CCc2[nH]c3ccc(C(=O)NNc4ccccc4C(=O)[O-])cc3c2C1	ZINC001598626875	994111988	/nfs/dbraw/zinc/11/19/88/994111988.db2.gz	UBEJUEDKLAGJKC-UHFFFAOYSA-N	0	1	364.405	2.611	20	50		FFGDMN
Cc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)ccc1Cl	ZINC000822176093	945969068	/nfs/dbraw/zinc/96/90/68/945969068.db2.gz	FWNNLAWFJZOHGZ-UHFFFAOYSA-N	0	1	361.793	2.697	20	50		FFGDMN
O=C([O-])[C@@H]1CCC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000739581932	978646271	/nfs/dbraw/zinc/64/62/71/978646271.db2.gz	AGICWXKAXAJUKF-QGZVFWFLSA-N	0	1	357.390	2.797	20	50		FFGDMN
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CC[N@H+]1CCC(=O)[O-]	ZINC001594465721	999684829	/nfs/dbraw/zinc/68/48/29/999684829.db2.gz	VREFPZJYUYYJRX-KGLIPLIRSA-N	0	1	360.545	2.708	20	50		FFGDMN
C[C@@]1(C(=O)[O-])CC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000828024746	601927375	/nfs/dbraw/zinc/92/73/75/601927375.db2.gz	UMLCOKZDJYQIGA-HXUWFJFHSA-N	0	1	357.390	2.797	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccc(C(F)F)c2)o1	ZINC000735939888	944724049	/nfs/dbraw/zinc/72/40/49/944724049.db2.gz	VHBQQXMTHDCQIB-UHFFFAOYSA-N	0	1	363.328	2.673	20	50		FFGDMN
CC(C)[N@H+](Cc1ccc(NC(=O)NNC(=O)[O-])cc1)C[C@@H]1CCCCO1	ZINC000833497482	605103283	/nfs/dbraw/zinc/10/32/83/605103283.db2.gz	CWBUSUXJZXTTRU-INIZCTEOSA-N	0	1	364.446	2.770	20	50		FFGDMN
Cc1ccc(C[C@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1	ZINC000826286411	609450400	/nfs/dbraw/zinc/45/04/00/609450400.db2.gz	AYJWIELTYNRWGY-LBPRGKRZSA-N	0	1	369.429	2.608	20	50		FFGDMN
C[C@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1	ZINC001592676780	979099277	/nfs/dbraw/zinc/09/92/77/979099277.db2.gz	YNXSIUAXMDSFCP-CYBMUJFWSA-N	0	1	374.416	2.671	20	50		FFGDMN
CC[N@@H+](C)Cc1cccc(CNC(=O)NNc2ccc(C(=O)[O-])cc2F)c1	ZINC001596193284	983574427	/nfs/dbraw/zinc/57/44/27/983574427.db2.gz	SIHXENCEXQZUKL-UHFFFAOYSA-N	0	1	374.416	2.802	20	50		FFGDMN
CC(C)C[N@H+]1CCC[C@H](CNC(=O)NNc2ccc(C(=O)[O-])cc2F)C1	ZINC001591364666	992360533	/nfs/dbraw/zinc/36/05/33/992360533.db2.gz	LHSREQDZUMFWFP-CYBMUJFWSA-N	0	1	366.437	2.518	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](c2ccccc2)C2CC2)o1	ZINC000824353135	608237485	/nfs/dbraw/zinc/23/74/85/608237485.db2.gz	YUPWOHAJGGBGAU-ZDUSSCGKSA-N	0	1	367.413	2.615	20	50		FFGDMN
C[C@@]1(C(=O)[O-])CCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1	ZINC001589186673	956559165	/nfs/dbraw/zinc/55/91/65/956559165.db2.gz	ACUFIELBROFEMR-FQEVSTJZSA-N	0	1	357.390	2.940	20	50		FFGDMN
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NNc2ccc(C(=O)[O-])cc2F)C1	ZINC001591364667	992360361	/nfs/dbraw/zinc/36/03/61/992360361.db2.gz	LHSREQDZUMFWFP-ZDUSSCGKSA-N	0	1	366.437	2.518	20	50		FFGDMN
C[C@]1(C(=O)[O-])CC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000828024742	601927270	/nfs/dbraw/zinc/92/72/70/601927270.db2.gz	UMLCOKZDJYQIGA-FQEVSTJZSA-N	0	1	357.390	2.797	20	50		FFGDMN
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000833522076	605863333	/nfs/dbraw/zinc/86/33/33/605863333.db2.gz	WUXNYGGYSCILSD-ZFWWWQNUSA-N	0	1	360.458	2.664	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccc(Cl)c(F)c2)o1	ZINC000824358519	608237437	/nfs/dbraw/zinc/23/74/37/608237437.db2.gz	MEKMJROSASGVEA-UHFFFAOYSA-N	0	1	365.756	2.528	20	50		FFGDMN
C[NH+](C)Cc1ccc(C(=O)NN=Cc2cccc3c2N(C(=O)[O-])CCC3)o1	ZINC000828042885	604826633	/nfs/dbraw/zinc/82/66/33/604826633.db2.gz	SXGNSIWRBBDBEY-UHFFFAOYSA-N	0	1	370.409	2.536	20	50		FFGDMN
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000833522072	605864007	/nfs/dbraw/zinc/86/40/07/605864007.db2.gz	WUXNYGGYSCILSD-HIFRSBDPSA-N	0	1	360.458	2.664	20	50		FFGDMN
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000833522070	605864076	/nfs/dbraw/zinc/86/40/76/605864076.db2.gz	WUXNYGGYSCILSD-DZGCQCFKSA-N	0	1	360.458	2.664	20	50		FFGDMN
O=C([O-])[C@]12C[N@@H+](Cc3ccc(OCCCCl)cc3)C[C@H]1COCC2	ZINC000901951187	980647549	/nfs/dbraw/zinc/64/75/49/980647549.db2.gz	DKJZFKLNVYOUAA-MAUKXSAKSA-N	0	1	353.846	2.617	20	50		FFGDMN
C[N@H+](CCI)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC001598485867	992205581	/nfs/dbraw/zinc/20/55/81/992205581.db2.gz	GMXOPBGUXYXDFD-JTQLQIEISA-N	0	1	373.112	2.596	20	50		FFGDMN
C[N@@H+](CCI)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC001598485867	992205588	/nfs/dbraw/zinc/20/55/88/992205588.db2.gz	GMXOPBGUXYXDFD-JTQLQIEISA-N	0	1	373.112	2.596	20	50		FFGDMN
Cc1cc(Cl)ccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000822202179	945988919	/nfs/dbraw/zinc/98/89/19/945988919.db2.gz	OBZMZDFLWKZLBL-UHFFFAOYSA-N	0	1	361.793	2.697	20	50		FFGDMN
Cc1ccc(/C=C\CC(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1	ZINC000822233640	946016511	/nfs/dbraw/zinc/01/65/11/946016511.db2.gz	SHTDKHLAZGWXQG-PLNGDYQASA-N	0	1	367.413	2.833	20	50		FFGDMN
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001599891208	984695835	/nfs/dbraw/zinc/69/58/35/984695835.db2.gz	LEOALEZQXFZKPO-CYBMUJFWSA-N	0	1	374.416	2.671	20	50		FFGDMN
CCc1ccc([C@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1	ZINC000736685565	944868865	/nfs/dbraw/zinc/86/88/65/944868865.db2.gz	GMCPKEFEHWRZBY-NSHDSACASA-N	0	1	369.429	2.787	20	50		FFGDMN
CC[N@@H+](C)Cc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)c1	ZINC001596192854	983570296	/nfs/dbraw/zinc/57/02/96/983570296.db2.gz	BFUIUCIIJLPBTF-UHFFFAOYSA-N	0	1	374.416	2.802	20	50		FFGDMN
Cc1cccc2nc(C(C#N)=Cc3cnc4ccc(-c5nn[nH]n5)cn34)[nH]c21	ZINC000737410231	945058560	/nfs/dbraw/zinc/05/85/60/945058560.db2.gz	VXJQPZIFVPCQSB-QPEQYQDCSA-N	0	1	367.376	2.763	20	50		FFGDMN
C[C@H]1CCCC[N@H+]1CCCCNC(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001594374934	999413117	/nfs/dbraw/zinc/41/31/17/999413117.db2.gz	HEGZEBIBNVPNAP-HNNXBMFYSA-N	0	1	362.474	2.594	20	50		FFGDMN
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833549028	605741112	/nfs/dbraw/zinc/74/11/12/605741112.db2.gz	OMVVJUWOMJBTJO-KBXCAEBGSA-N	0	1	368.437	2.846	20	50		FFGDMN
O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](CCCI)C1	ZINC000834107264	605869855	/nfs/dbraw/zinc/86/98/55/605869855.db2.gz	LWVXOFMRYNBLQX-VXGBXAGGSA-N	0	1	366.243	2.666	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccc(F)c2Cl)o1	ZINC000820202255	945374417	/nfs/dbraw/zinc/37/44/17/945374417.db2.gz	FXWVNWDXTSIPOZ-UHFFFAOYSA-N	0	1	365.756	2.528	20	50		FFGDMN
C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1	ZINC001594220115	959363436	/nfs/dbraw/zinc/36/34/36/959363436.db2.gz	OCIPOUYMEZKNEM-VQIMIIECSA-N	0	1	357.390	2.938	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccc(F)c(Cl)c2)o1	ZINC000820202335	945376210	/nfs/dbraw/zinc/37/62/10/945376210.db2.gz	HBVKXPVRRRWKKS-UHFFFAOYSA-N	0	1	365.756	2.528	20	50		FFGDMN
C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[N@@H+]1CCc2ccccc2C1	ZINC001589424664	986695989	/nfs/dbraw/zinc/69/59/89/986695989.db2.gz	YZZOWTBIEKURJO-LBPRGKRZSA-N	0	1	373.840	2.928	20	50		FFGDMN
C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[N@H+]1CCc2ccccc2C1	ZINC001589424664	986695994	/nfs/dbraw/zinc/69/59/94/986695994.db2.gz	YZZOWTBIEKURJO-LBPRGKRZSA-N	0	1	373.840	2.928	20	50		FFGDMN
C[N@H+]1CC[C@H](NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)[C@@H]1c1ccccc1	ZINC001598587327	993403831	/nfs/dbraw/zinc/40/38/31/993403831.db2.gz	XHZDSTSNQOIXCY-IRXDYDNUSA-N	0	1	372.400	2.595	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cc3cccc(F)c3o2)o1	ZINC000735939196	944720136	/nfs/dbraw/zinc/72/01/36/944720136.db2.gz	KYYSXXNGWWXKOC-UHFFFAOYSA-N	0	1	371.332	2.620	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cc(F)cc(Cl)c2)o1	ZINC000820203153	945378151	/nfs/dbraw/zinc/37/81/51/945378151.db2.gz	QLLMAGHEZPBKTR-UHFFFAOYSA-N	0	1	365.756	2.528	20	50		FFGDMN
C[C@H]1C[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C[C@@H]1C(=O)[O-]	ZINC000828448700	601524201	/nfs/dbraw/zinc/52/42/01/601524201.db2.gz	FTZBDLKKVMRUHU-LPHOPBHVSA-N	0	1	357.390	2.653	20	50		FFGDMN
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833590996	605741611	/nfs/dbraw/zinc/74/16/11/605741611.db2.gz	JZNXERIHGNCPJE-GASCZTMLSA-N	0	1	362.474	2.769	20	50		FFGDMN
C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1	ZINC000833599857	605746068	/nfs/dbraw/zinc/74/60/68/605746068.db2.gz	IEHLLBLPLZYLGJ-KSSFIOAISA-N	0	1	368.437	2.674	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](c2ccccc2)C2CC2)o1	ZINC000824353133	608237336	/nfs/dbraw/zinc/23/73/36/608237336.db2.gz	YUPWOHAJGGBGAU-CYBMUJFWSA-N	0	1	367.413	2.615	20	50		FFGDMN
CCCC[N@H+]1CCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595750820	982430533	/nfs/dbraw/zinc/43/05/33/982430533.db2.gz	GXOVJOWZBSULFQ-HNNXBMFYSA-N	0	1	362.474	2.974	20	50		FFGDMN
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000826316752	607676187	/nfs/dbraw/zinc/67/61/87/607676187.db2.gz	XUCJUEMMHUNAPG-NXEZZACHSA-N	0	1	373.442	2.595	20	50		FFGDMN
O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@@H+](CCCI)C1	ZINC000834107258	605869384	/nfs/dbraw/zinc/86/93/84/605869384.db2.gz	LWVXOFMRYNBLQX-NEPJUHHUSA-N	0	1	366.243	2.666	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCC=Cc2ccccc2)o1	ZINC000735938596	944717197	/nfs/dbraw/zinc/71/71/97/944717197.db2.gz	BSAZTONSXMPMMH-POHAHGRESA-N	0	1	367.413	2.915	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cc3occc3s2)o1	ZINC000735938576	944717764	/nfs/dbraw/zinc/71/77/64/944717764.db2.gz	BAWOQQJMAUZQGM-UHFFFAOYSA-N	0	1	359.371	2.543	20	50		FFGDMN
C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)[C@H]1CCN(C(=O)[O-])C1	ZINC000828341026	603535627	/nfs/dbraw/zinc/53/56/27/603535627.db2.gz	GXXJBPTUBUFNGH-KRWDZBQOSA-N	0	1	372.405	2.685	20	50		FFGDMN
O=C([O-])NC[C@H]1CCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1	ZINC000832573527	603573640	/nfs/dbraw/zinc/57/36/40/603573640.db2.gz	PILMURSMRLYUIK-QGZVFWFLSA-N	0	1	372.405	2.733	20	50		FFGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC[C@H](C(C)C)CC2)o1	ZINC000824358293	607806185	/nfs/dbraw/zinc/80/61/85/607806185.db2.gz	GERIEEZODGAGMI-HAQNSBGRSA-N	0	1	361.450	2.884	20	50		FFGDMN