smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CBr)C[N@H+]1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001592211095	977258399	/nfs/dbraw/zinc/25/83/99/977258399.db2.gz	ITIFQTSFDJXLAW-JCIQBVFBSA-N	0	1	320.227	2.112	20	50		DEGDMN
C[N@H+](CCI)Cc1ccc(C(=O)[O-])cc1	ZINC001598485498	992200501	/nfs/dbraw/zinc/20/05/01/992200501.db2.gz	FFWISNNEZINYTR-UHFFFAOYSA-N	0	1	319.142	2.252	20	50		DEGDMN
C[N@@H+](CCI)Cc1ccc(C(=O)[O-])cc1	ZINC001598485498	992200509	/nfs/dbraw/zinc/20/05/09/992200509.db2.gz	FFWISNNEZINYTR-UHFFFAOYSA-N	0	1	319.142	2.252	20	50		DEGDMN
C[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC001594303302	999173991	/nfs/dbraw/zinc/17/39/91/999173991.db2.gz	SXGVNDCXYIZPQA-OUAUKWLOSA-N	0	1	323.368	2.228	20	50		DEGDMN
CC[C@@H](C)[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825051485	609151293	/nfs/dbraw/zinc/15/12/93/609151293.db2.gz	QCRIWLSMYVTWTF-BDAKNGLRSA-N	0	1	321.385	2.103	20	50		DEGDMN
CCC(C)=C(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825050309	609214935	/nfs/dbraw/zinc/21/49/35/609214935.db2.gz	HTHTUGFJYFQCMY-CMDGGOBGSA-N	0	1	319.369	2.168	20	50		DEGDMN
C[C@@H](C(=O)NNc1ccccc1C(=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000833602340	605722016	/nfs/dbraw/zinc/72/20/16/605722016.db2.gz	HMFFUXKCWUMSJT-TUAOUCFPSA-N	0	1	305.378	2.089	20	50		DEGDMN
CCC[N@H+]1CCCC[C@H]1C(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001595909603	982997604	/nfs/dbraw/zinc/99/76/04/982997604.db2.gz	NWMPJSPONLJHRH-HNNXBMFYSA-N	0	1	319.405	2.021	20	50		DEGDMN
CCc1[nH+]ccn1[C@H](C)CC(=O)NNc1ccccc1C(=O)[O-]	ZINC001597706770	988954139	/nfs/dbraw/zinc/95/41/39/988954139.db2.gz	XFSDQBACSSHVEW-LLVKDONJSA-N	0	1	316.361	2.238	20	50		DEGDMN
C[NH+](C)Cc1ccc(C(=O)NN=C2CCC(CC(=O)[O-])CC2)o1	ZINC001598249166	991028363	/nfs/dbraw/zinc/02/83/63/991028363.db2.gz	VVTCXZZPMMPEHT-UHFFFAOYSA-N	0	1	321.377	2.092	20	50		DEGDMN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[N@H+]1C[C@](C)(O)C(=O)[O-]	ZINC001593391155	995126530	/nfs/dbraw/zinc/12/65/30/995126530.db2.gz	QVQMZARQPSSUMS-WFASDCNBSA-N	0	1	317.502	2.308	20	50		DEGDMN
C[NH+](C)[C@@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1	ZINC001598163156	990668283	/nfs/dbraw/zinc/66/82/83/990668283.db2.gz	QCDCSHCJQLCFQF-OAHLLOKOSA-N	0	1	313.357	2.131	20	50		DEGDMN
C[C@H](C(=O)NNc1ccccc1C(=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000833602051	605721712	/nfs/dbraw/zinc/72/17/12/605721712.db2.gz	HMFFUXKCWUMSJT-GRYCIOLGSA-N	0	1	305.378	2.089	20	50		DEGDMN
C[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC001594303295	999173877	/nfs/dbraw/zinc/17/38/77/999173877.db2.gz	SRBJXMUNYIMLMR-AXFHLTTASA-N	0	1	323.368	2.228	20	50		DEGDMN
CCC(CC)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000820893564	945584466	/nfs/dbraw/zinc/58/44/66/945584466.db2.gz	QUJVUQWRGYNPLZ-UHFFFAOYSA-N	0	1	321.385	2.248	20	50		DEGDMN
CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@@H+](C[C@](C)(O)C(=O)[O-])C1	ZINC001593390115	995120247	/nfs/dbraw/zinc/12/02/47/995120247.db2.gz	JMKPZLJKNLCKKA-WFASDCNBSA-N	0	1	317.502	2.308	20	50		DEGDMN
C[C@H]1[C@H](C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)[C@H]1Cl	ZINC001594188555	998732015	/nfs/dbraw/zinc/73/20/15/998732015.db2.gz	UHUICVRRVWDCMX-MKJLKUPLSA-N	0	1	309.793	2.366	20	50		DEGDMN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001594188553	998732419	/nfs/dbraw/zinc/73/24/19/998732419.db2.gz	UHUICVRRVWDCMX-JLGPQHSXSA-N	0	1	309.793	2.366	20	50		DEGDMN
C[C@H](CBr)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1	ZINC001592213520	977273302	/nfs/dbraw/zinc/27/33/02/977273302.db2.gz	YSIVELXBEGIOKG-SECBINFHSA-N	0	1	301.184	2.243	20	50		DEGDMN
C[NH+](C)[C@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1	ZINC001598163155	990668391	/nfs/dbraw/zinc/66/83/91/990668391.db2.gz	QCDCSHCJQLCFQF-HNNXBMFYSA-N	0	1	313.357	2.131	20	50		DEGDMN
CCC(C)=C(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825050311	609214656	/nfs/dbraw/zinc/21/46/56/609214656.db2.gz	HTHTUGFJYFQCMY-HJWRWDBZSA-N	0	1	319.369	2.168	20	50		DEGDMN
CCC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)CC	ZINC000820831882	945565715	/nfs/dbraw/zinc/56/57/15/945565715.db2.gz	DXLODDTVNRSVMU-UHFFFAOYSA-N	0	1	319.369	2.168	20	50		DEGDMN
CCC[N@H+]1CCCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595909615	982997514	/nfs/dbraw/zinc/99/75/14/982997514.db2.gz	OHIVKZVAGOZIHC-HNNXBMFYSA-N	0	1	319.405	2.401	20	50		DEGDMN
CC(C)C[N@H+]1CCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001591365125	992366524	/nfs/dbraw/zinc/36/65/24/992366524.db2.gz	VTTNFXPYLZZYGL-CQSZACIVSA-N	0	1	323.368	2.087	20	50		DEGDMN
CO[C@@]1(C(=O)[O-])CC[N@@H+](CCO[Si](C)(C)C(C)(C)C)C1	ZINC001599077754	996916623	/nfs/dbraw/zinc/91/66/23/996916623.db2.gz	KXZPKHPFQZWRJW-AWEZNQCLSA-N	0	1	303.475	2.184	20	50		DEGDMN
O=C([O-])[C@@H]1C[N@@H+](C[C@H](CBr)C2CC2)C[C@H]1C1CC1	ZINC001595189791	952273720	/nfs/dbraw/zinc/27/37/20/952273720.db2.gz	CYXJBPGFAZPCFZ-RWMBFGLXSA-N	0	1	316.239	2.450	20	50		DEGDMN
C[N@H+]1CCCC[C@@H]1CCC(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001598599781	993558044	/nfs/dbraw/zinc/55/80/44/993558044.db2.gz	WRUIPPOFFHRQMX-LLVKDONJSA-N	0	1	323.368	2.232	20	50		DEGDMN
C=C(CBr)C[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588606339	983697288	/nfs/dbraw/zinc/69/72/88/983697288.db2.gz	XPMVCCQZMKJDAW-VIFPVBQESA-N	0	1	316.117	2.277	20	50		DEGDMN
C[N@@H+](CCC(=O)NNc1cccc(C(=O)[O-])c1)C1CCCCC1	ZINC001598469832	992007784	/nfs/dbraw/zinc/00/77/84/992007784.db2.gz	MOCIONDYWKHUFG-UHFFFAOYSA-N	0	1	319.405	2.483	20	50		DEGDMN
CC[C@H](C)[N@@H+](C)CCNC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001594967052	982725566	/nfs/dbraw/zinc/72/55/66/982725566.db2.gz	IREVPTTZQSNSGD-NSHDSACASA-N	0	1	322.409	2.050	20	50		DEGDMN
CCC[N@@H+](CC)CCNC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595865255	982826100	/nfs/dbraw/zinc/82/61/00/982826100.db2.gz	YSKGFERDJFFVGR-UHFFFAOYSA-N	0	1	322.409	2.051	20	50		DEGDMN
CC(C)C[N@H+]1CCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001591364626	992361051	/nfs/dbraw/zinc/36/10/51/992361051.db2.gz	JTGHDLCPHOXALV-CQSZACIVSA-N	0	1	323.368	2.087	20	50		DEGDMN
COc1ccsc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	ZINC000106009994	651274302	/nfs/dbraw/zinc/27/43/02/651274302.db2.gz	CVWWGDKSGQYCIA-UHFFFAOYSA-N	0	1	324.789	2.414	20	50		DEGDMN
CC(C)C[N@H+]1CCC[C@@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001591365341	992367916	/nfs/dbraw/zinc/36/79/16/992367916.db2.gz	ZALPJXPNDIGUSG-CQSZACIVSA-N	0	1	323.368	2.087	20	50		DEGDMN
CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC001589805314	988219417	/nfs/dbraw/zinc/21/94/17/988219417.db2.gz	BPRZQMNLQCFFBC-MRXNPFEDSA-N	0	1	323.368	2.040	20	50		DEGDMN
CCCCCC[N@@H+](C)CC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595708892	982287525	/nfs/dbraw/zinc/28/75/25/982287525.db2.gz	KFOAVHAHLAPLPP-UHFFFAOYSA-N	0	1	307.394	2.340	20	50		DEGDMN
C[C@H]1C[N@@H+](C[C@@H](CBr)C2CC2)C[C@]1(C)C(=O)[O-]	ZINC001599928131	985245525	/nfs/dbraw/zinc/24/55/25/985245525.db2.gz	YCCIDAHYEXKDDX-NDMJEZRESA-N	0	1	304.228	2.450	20	50		DEGDMN
CCc1[nH+]ccn1[C@@H](C)CC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001597706144	988950346	/nfs/dbraw/zinc/95/03/46/988950346.db2.gz	MNAYWOOIHPHQDG-NSHDSACASA-N	0	1	316.361	2.238	20	50		DEGDMN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[N@H+]1C[C@@](C)(O)C(=O)[O-]	ZINC001593391152	995125932	/nfs/dbraw/zinc/12/59/32/995125932.db2.gz	QVQMZARQPSSUMS-SWLSCSKDSA-N	0	1	317.502	2.308	20	50		DEGDMN
C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1	ZINC001593689471	996132908	/nfs/dbraw/zinc/13/29/08/996132908.db2.gz	IMWHUJQPAJYERL-LITAXDCLSA-N	0	1	300.152	2.364	20	50		DEGDMN
CC[C@H](C)[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825051487	609151071	/nfs/dbraw/zinc/15/10/71/609151071.db2.gz	QCRIWLSMYVTWTF-IUCAKERBSA-N	0	1	321.385	2.103	20	50		DEGDMN
C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1	ZINC001593689470	996132857	/nfs/dbraw/zinc/13/28/57/996132857.db2.gz	IMWHUJQPAJYERL-LEQIOUOKSA-N	0	1	300.152	2.364	20	50		DEGDMN
CO[C@]1(C(=O)[O-])CC[N@@H+](CCO[Si](C)(C)C(C)(C)C)C1	ZINC001599077762	996918314	/nfs/dbraw/zinc/91/83/14/996918314.db2.gz	KXZPKHPFQZWRJW-CQSZACIVSA-N	0	1	303.475	2.184	20	50		DEGDMN
CC(C)(C)[Si](C)(C)OCC[N@@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC001590451470	990012916	/nfs/dbraw/zinc/01/29/16/990012916.db2.gz	LEJFTFKKFSXLFD-LBPRGKRZSA-N	0	1	303.475	2.184	20	50		DEGDMN
CC(C)(C)[Si](C)(C)OCC[N@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC001590451470	990012920	/nfs/dbraw/zinc/01/29/20/990012920.db2.gz	LEJFTFKKFSXLFD-LBPRGKRZSA-N	0	1	303.475	2.184	20	50		DEGDMN
CC(C)(C)[Si](C)(C)OCC[N@@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC001590451467	990013064	/nfs/dbraw/zinc/01/30/64/990013064.db2.gz	LEJFTFKKFSXLFD-GFCCVEGCSA-N	0	1	303.475	2.184	20	50		DEGDMN
CC(C)(C)[Si](C)(C)OCC[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC001590451467	990013074	/nfs/dbraw/zinc/01/30/74/990013074.db2.gz	LEJFTFKKFSXLFD-GFCCVEGCSA-N	0	1	303.475	2.184	20	50		DEGDMN
CC(C)C[N@H+]1CCC[C@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001591364625	992360245	/nfs/dbraw/zinc/36/02/45/992360245.db2.gz	JTGHDLCPHOXALV-AWEZNQCLSA-N	0	1	323.368	2.087	20	50		DEGDMN
CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@@H+](C[C@](C)(O)C(=O)[O-])C1	ZINC001593390107	995119955	/nfs/dbraw/zinc/11/99/55/995119955.db2.gz	JMKPZLJKNLCKKA-DOMZBBRYSA-N	0	1	317.502	2.308	20	50		DEGDMN
CC(C)C[N@@H+](CCCI)CCC(=O)[O-]	ZINC000833486194	605831853	/nfs/dbraw/zinc/83/18/53/605831853.db2.gz	AXKYJOWJAVTHCT-UHFFFAOYSA-N	0	1	313.179	2.244	20	50		DEGDMN
CCC[N@H+]1CCCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595909083	982993907	/nfs/dbraw/zinc/99/39/07/982993907.db2.gz	BWYBBPQHKYCLMP-AWEZNQCLSA-N	0	1	305.378	2.092	20	50		DEGDMN
C=C(CBr)C[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588606338	983697392	/nfs/dbraw/zinc/69/73/92/983697392.db2.gz	XPMVCCQZMKJDAW-SECBINFHSA-N	0	1	316.117	2.277	20	50		DEGDMN
CCCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)CC1	ZINC000821028628	945618089	/nfs/dbraw/zinc/61/80/89/945618089.db2.gz	XOVRREFZOFGPCG-UHFFFAOYSA-N	0	1	319.369	2.002	20	50		DEGDMN
CCC(C)(C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000820847392	945569678	/nfs/dbraw/zinc/56/96/78/945569678.db2.gz	CZLRHRFIIKVOOL-UHFFFAOYSA-N	0	1	321.385	2.248	20	50		DEGDMN
C[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000833602367	605733328	/nfs/dbraw/zinc/73/33/28/605733328.db2.gz	IHOCWQUDKRXGNE-GRYCIOLGSA-N	0	1	305.378	2.089	20	50		DEGDMN
C[C@H]1C[N@@H+](C[C@H](CBr)C2CC2)C[C@]1(C)C(=O)[O-]	ZINC001599928128	985246197	/nfs/dbraw/zinc/24/61/97/985246197.db2.gz	YCCIDAHYEXKDDX-GAFUQQFSSA-N	0	1	304.228	2.450	20	50		DEGDMN
C[N@H+]1CCCC[C@H]1CCC(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001598599782	993557989	/nfs/dbraw/zinc/55/79/89/993557989.db2.gz	WRUIPPOFFHRQMX-NSHDSACASA-N	0	1	323.368	2.232	20	50		DEGDMN
CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@@H+](C[C@@](C)(O)C(=O)[O-])C1	ZINC001593390112	995119890	/nfs/dbraw/zinc/11/98/90/995119890.db2.gz	JMKPZLJKNLCKKA-IUODEOHRSA-N	0	1	317.502	2.308	20	50		DEGDMN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001594188554	998732150	/nfs/dbraw/zinc/73/21/50/998732150.db2.gz	UHUICVRRVWDCMX-KGKICYMHSA-N	0	1	309.793	2.366	20	50		DEGDMN
CCC[N@H+]1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595909616	982997324	/nfs/dbraw/zinc/99/73/24/982997324.db2.gz	OHIVKZVAGOZIHC-OAHLLOKOSA-N	0	1	319.405	2.401	20	50		DEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCC2CCC2)o1	ZINC000820201937	945371754	/nfs/dbraw/zinc/37/17/54/945371754.db2.gz	CMDZSDQMWZGYGN-UHFFFAOYSA-N	0	1	319.369	2.002	20	50		DEGDMN
CCC[N@H+]1CCCC[C@@H]1C(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001595909604	982997303	/nfs/dbraw/zinc/99/73/03/982997303.db2.gz	NWMPJSPONLJHRH-OAHLLOKOSA-N	0	1	319.405	2.021	20	50		DEGDMN
C[C@H](CBr)C[N@H+]1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001592211098	977258682	/nfs/dbraw/zinc/25/86/82/977258682.db2.gz	ITIFQTSFDJXLAW-LDMBFOFVSA-N	0	1	320.227	2.112	20	50		DEGDMN
CCC[N@H+]1CCCC[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595909400	982995686	/nfs/dbraw/zinc/99/56/86/982995686.db2.gz	KSEASNDEJRWWDV-AWEZNQCLSA-N	0	1	323.368	2.232	20	50		DEGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001594188556	998732190	/nfs/dbraw/zinc/73/21/90/998732190.db2.gz	UHUICVRRVWDCMX-OWILRWKRSA-N	0	1	309.793	2.366	20	50		DEGDMN
O=C([O-])[C@@H]1C[N@@H+](C[C@@H](CBr)C2CC2)C[C@H]1C1CC1	ZINC001595189790	952273666	/nfs/dbraw/zinc/27/36/66/952273666.db2.gz	CYXJBPGFAZPCFZ-FRRDWIJNSA-N	0	1	316.239	2.450	20	50		DEGDMN
CC[C@H](C)[C@@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825051486	609151434	/nfs/dbraw/zinc/15/14/34/609151434.db2.gz	QCRIWLSMYVTWTF-DTWKUNHWSA-N	0	1	321.385	2.103	20	50		DEGDMN
CCC[N@H+]1CCCC[C@@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595909853	983000210	/nfs/dbraw/zinc/00/02/10/983000210.db2.gz	VGTRVSGKTGHJHE-CQSZACIVSA-N	0	1	305.378	2.092	20	50		DEGDMN
CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC001589805313	988219305	/nfs/dbraw/zinc/21/93/05/988219305.db2.gz	BPRZQMNLQCFFBC-INIZCTEOSA-N	0	1	323.368	2.040	20	50		DEGDMN
CC(C)(C)[Si](C)(C)OC[C@H]1CCC[N@H+]1C[C@](C)(O)C(=O)[O-]	ZINC001593391145	995126457	/nfs/dbraw/zinc/12/64/57/995126457.db2.gz	QVQMZARQPSSUMS-DOMZBBRYSA-N	0	1	317.502	2.308	20	50		DEGDMN
C[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000833602369	605733415	/nfs/dbraw/zinc/73/34/15/605733415.db2.gz	IHOCWQUDKRXGNE-TUAOUCFPSA-N	0	1	305.378	2.089	20	50		DEGDMN
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595737380	982393739	/nfs/dbraw/zinc/39/37/39/982393739.db2.gz	ZONYDVHWJDSMSQ-GFCCVEGCSA-N	0	1	322.409	2.131	20	50		DEGDMN
C[C@@H]1C[N@H+](CCO[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)[O-])O1	ZINC001599865447	989244772	/nfs/dbraw/zinc/24/47/72/989244772.db2.gz	AAAAWPHQTJCZHF-NEPJUHHUSA-N	0	1	303.475	2.182	20	50		DEGDMN
C[C@@H]1C[N@@H+](CCO[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)[O-])O1	ZINC001599865447	989244782	/nfs/dbraw/zinc/24/47/82/989244782.db2.gz	AAAAWPHQTJCZHF-NEPJUHHUSA-N	0	1	303.475	2.182	20	50		DEGDMN
C[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC001594303299	999173813	/nfs/dbraw/zinc/17/38/13/999173813.db2.gz	SXGVNDCXYIZPQA-AXFHLTTASA-N	0	1	323.368	2.228	20	50		DEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=CC(C)(C)C)o1	ZINC000735939775	944722499	/nfs/dbraw/zinc/72/24/99/944722499.db2.gz	SJYITAFGXPIWCM-VOTSOKGWSA-N	0	1	319.369	2.024	20	50		DEGDMN
CCC[N@H+]1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595909085	982993985	/nfs/dbraw/zinc/99/39/85/982993985.db2.gz	BWYBBPQHKYCLMP-CQSZACIVSA-N	0	1	305.378	2.092	20	50		DEGDMN
CC(C)C[N@H+]1CCC[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001591365124	992367164	/nfs/dbraw/zinc/36/71/64/992367164.db2.gz	VTTNFXPYLZZYGL-AWEZNQCLSA-N	0	1	323.368	2.087	20	50		DEGDMN
CCC[N@H+]1CCCC[C@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595909852	982999695	/nfs/dbraw/zinc/99/96/95/982999695.db2.gz	VGTRVSGKTGHJHE-AWEZNQCLSA-N	0	1	305.378	2.092	20	50		DEGDMN
C[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC001594303298	999174003	/nfs/dbraw/zinc/17/40/03/999174003.db2.gz	SRBJXMUNYIMLMR-OUAUKWLOSA-N	0	1	323.368	2.228	20	50		DEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)C(C)(C)C)o1	ZINC000735939547	944722049	/nfs/dbraw/zinc/72/20/49/944722049.db2.gz	RANZIIXSSUOYGN-MRVPVSSYSA-N	0	1	321.385	2.103	20	50		DEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2(C)CCCC2)o1	ZINC000735939742	944722649	/nfs/dbraw/zinc/72/26/49/944722649.db2.gz	RDBMMOPKHLMTPZ-UHFFFAOYSA-N	0	1	319.369	2.002	20	50		DEGDMN
C[C@H](CBr)C[N@H+]1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001592211099	977259082	/nfs/dbraw/zinc/25/90/82/977259082.db2.gz	ITIFQTSFDJXLAW-PZWNZHSQSA-N	0	1	320.227	2.112	20	50		DEGDMN
CC[C@@H](C)[N@@H+](C)CCNC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001594967051	982725376	/nfs/dbraw/zinc/72/53/76/982725376.db2.gz	IREVPTTZQSNSGD-LLVKDONJSA-N	0	1	322.409	2.050	20	50		DEGDMN
CC[C@@H](C)[C@@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825051488	609151521	/nfs/dbraw/zinc/15/15/21/609151521.db2.gz	QCRIWLSMYVTWTF-RKDXNWHRSA-N	0	1	321.385	2.103	20	50		DEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)C(C)(C)C)o1	ZINC000735939741	944721733	/nfs/dbraw/zinc/72/17/33/944721733.db2.gz	RANZIIXSSUOYGN-QMMMGPOBSA-N	0	1	321.385	2.103	20	50		DEGDMN
CCc1[nH+]ccn1[C@@H](C)CC(=O)NNc1ccccc1C(=O)[O-]	ZINC001597706771	988954026	/nfs/dbraw/zinc/95/40/26/988954026.db2.gz	XFSDQBACSSHVEW-NSHDSACASA-N	0	1	316.361	2.238	20	50		DEGDMN
C[C@H](CBr)C[N@H+]1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001592211086	977258612	/nfs/dbraw/zinc/25/86/12/977258612.db2.gz	ITIFQTSFDJXLAW-GCHJQGSQSA-N	0	1	320.227	2.112	20	50		DEGDMN
CC(C)(C)[Si](C)(C)OC[C@H]1CCC[N@H+]1C[C@@](C)(O)C(=O)[O-]	ZINC001593391148	995126205	/nfs/dbraw/zinc/12/62/05/995126205.db2.gz	QVQMZARQPSSUMS-IUODEOHRSA-N	0	1	317.502	2.308	20	50		DEGDMN
C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)CC(=O)[O-]	ZINC000739703478	955255520	/nfs/dbraw/zinc/25/55/20/955255520.db2.gz	CVORINRJOLQELY-UHFFFAOYSA-N	0	1	317.325	2.017	20	50		DEGDMN
CC(C)C[N@H+]1CCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001591365338	992368037	/nfs/dbraw/zinc/36/80/37/992368037.db2.gz	ZALPJXPNDIGUSG-AWEZNQCLSA-N	0	1	323.368	2.087	20	50		DEGDMN
CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@@H+](C[C@@](C)(O)C(=O)[O-])C1	ZINC001593390114	995119872	/nfs/dbraw/zinc/11/98/72/995119872.db2.gz	JMKPZLJKNLCKKA-SWLSCSKDSA-N	0	1	317.502	2.308	20	50		DEGDMN
CCc1[nH+]ccn1[C@H](C)CC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001597706143	988950059	/nfs/dbraw/zinc/95/00/59/988950059.db2.gz	MNAYWOOIHPHQDG-LLVKDONJSA-N	0	1	316.361	2.238	20	50		DEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=CC(C)(C)C)o1	ZINC000735939774	944722719	/nfs/dbraw/zinc/72/27/19/944722719.db2.gz	SJYITAFGXPIWCM-SREVYHEPSA-N	0	1	319.369	2.024	20	50		DEGDMN
C[C@@H](CBr)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1	ZINC001592213526	977273727	/nfs/dbraw/zinc/27/37/27/977273727.db2.gz	YSIVELXBEGIOKG-VIFPVBQESA-N	0	1	301.184	2.243	20	50		DEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCC(C)(C)C)o1	ZINC000735939390	944721753	/nfs/dbraw/zinc/72/17/53/944721753.db2.gz	OWICIMYETDQRLO-UHFFFAOYSA-N	0	1	321.385	2.248	20	50		DEGDMN
CCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)CCC1	ZINC000820945769	945594350	/nfs/dbraw/zinc/59/43/50/945594350.db2.gz	VBIPIHJDVUOWOD-UHFFFAOYSA-N	0	1	319.369	2.002	20	50		DEGDMN
CCC[N@H+]1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595909401	982995651	/nfs/dbraw/zinc/99/56/51/982995651.db2.gz	KSEASNDEJRWWDV-CQSZACIVSA-N	0	1	323.368	2.232	20	50		DEGDMN